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 2r5i_1_F DATA FIRST_RESID 20 DATA SEQUENCE AVVNTDDYVT RTSIFYHAGS SRLLTVGDPY FRVPAGGGNK QDIPKVSAYQ DATA SEQUENCE YRVFRVQLPD PNKFGLPDTS IYNPETQRLV WACAGVEIGR GQPLGVGLSG DATA SEQUENCE HPFYNKLDDT ESSHAATSNV SEDVRDNVSV DYKQTQLCIL GCAPAIGEHW DATA SEQUENCE AKGTASKSRP LSQGDCPPLE LKNTVLEDGD MVDTGYGAMD FSTLQDTKCE DATA SEQUENCE VPLDICQSIC KYPDYLQMSA DPYGDSMFFC LRREQLFARH FWNRAGTMGD DATA SEQUENCE TVPQSLYIKG TGMRASPGSC VYSPSPSGSI VTSDSQLFNK PYWLHKAQGH DATA SEQUENCE NNGVCWHNQL FVTVVDTTRS TNLTICASTQ SPVPGQYDAT KFKQYSRHVE DATA SEQUENCE EYDLQFIFQL CTITLTADVM SYIQSMNSSI LEDWNXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXNK DPYDKLKFWN VDLKEKFSLD LDQYPLGRKF DATA SEQUENCE LVQAGL 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 20 A HA 0.000 nan 4.320 nan 0.000 0.244 20 A C 0.000 177.618 177.584 0.057 0.000 1.274 20 A CA 0.000 52.053 52.037 0.028 0.000 0.836 20 A CB 0.000 19.008 19.000 0.013 0.000 0.831 21 V N 1.974 121.863 119.914 -0.042 0.000 2.649 21 V HA 0.500 4.619 4.120 -0.001 0.000 0.292 21 V C 0.273 176.247 176.094 -0.201 0.000 1.055 21 V CA -0.161 62.108 62.300 -0.051 0.000 1.023 21 V CB 1.397 33.041 31.823 -0.298 0.000 0.992 21 V HN 0.767 nan 8.190 nan 0.000 0.480 22 V N 3.560 123.502 119.914 0.046 0.000 2.864 22 V HA 0.377 4.496 4.120 -0.001 0.000 0.314 22 V C 0.297 176.472 176.094 0.135 0.000 1.073 22 V CA -1.166 61.087 62.300 -0.078 0.000 0.956 22 V CB 1.990 33.728 31.823 -0.141 0.000 1.023 22 V HN 0.852 nan 8.190 nan 0.000 0.435 23 N N 1.891 120.682 118.700 0.151 0.000 2.357 23 N HA -0.054 4.686 4.740 -0.001 0.000 0.257 23 N C 1.490 177.124 175.510 0.207 0.000 1.250 23 N CA 0.849 54.064 53.050 0.275 0.000 0.862 23 N CB 1.515 40.134 38.487 0.219 0.000 1.066 23 N HN 1.020 nan 8.380 nan 0.000 0.468 24 T N -0.209 114.426 114.554 0.135 0.000 2.803 24 T HA -0.165 4.184 4.350 -0.001 0.000 0.269 24 T C 0.913 175.444 174.700 -0.281 0.000 1.052 24 T CA 1.177 63.112 62.100 -0.274 0.000 1.136 24 T CB -0.029 68.770 68.868 -0.114 0.000 0.864 24 T HN 0.465 nan 8.240 nan 0.000 0.467 25 D N 1.726 122.090 120.400 -0.060 0.000 2.315 25 D HA -0.114 4.526 4.640 -0.001 0.000 0.211 25 D C 1.339 177.638 176.300 -0.001 0.000 0.977 25 D CA 1.140 55.126 54.000 -0.024 0.000 0.894 25 D CB -0.266 40.552 40.800 0.030 0.000 0.910 25 D HN 0.509 nan 8.370 nan 0.000 0.490 26 D N -0.621 119.800 120.400 0.034 0.000 2.289 26 D HA -0.062 4.577 4.640 -0.001 0.000 0.207 26 D C 1.325 177.735 176.300 0.184 0.000 0.966 26 D CA 0.563 54.630 54.000 0.111 0.000 0.868 26 D CB 0.066 40.947 40.800 0.134 0.000 0.943 26 D HN 0.542 nan 8.370 nan 0.000 0.514 27 Y N -2.196 118.146 120.300 0.070 0.000 2.717 27 Y HA 0.522 5.072 4.550 -0.001 0.000 0.250 27 Y C -0.364 175.621 175.900 0.142 0.000 1.149 27 Y CA -0.590 57.564 58.100 0.091 0.000 1.211 27 Y CB 0.367 38.883 38.460 0.093 0.000 1.289 27 Y HN -0.355 nan 8.280 nan 0.000 0.552 28 V N 2.122 121.988 119.914 -0.079 0.000 2.447 28 V HA 0.316 4.435 4.120 -0.001 0.000 0.292 28 V C -0.372 175.704 176.094 -0.030 0.000 1.021 28 V CA -0.661 61.607 62.300 -0.053 0.000 0.850 28 V CB 1.573 33.294 31.823 -0.171 0.000 1.005 28 V HN 0.372 nan 8.190 nan 0.000 0.426 29 T N 4.893 119.448 114.554 0.002 0.000 2.780 29 T HA 0.455 4.804 4.350 -0.001 0.000 0.294 29 T C 0.185 174.871 174.700 -0.024 0.000 0.949 29 T CA -0.579 61.520 62.100 -0.002 0.000 1.074 29 T CB 0.598 69.473 68.868 0.012 0.000 0.910 29 T HN 0.504 nan 8.240 nan 0.000 0.501 30 R N 2.047 122.538 120.500 -0.015 0.000 2.438 30 R HA 0.411 4.750 4.340 -0.001 0.000 0.287 30 R C 1.283 177.556 176.300 -0.044 0.000 1.077 30 R CA -0.456 55.627 56.100 -0.028 0.000 1.034 30 R CB 0.525 30.829 30.300 0.006 0.000 0.993 30 R HN 0.826 nan 8.270 nan 0.000 0.459 31 T N -1.822 112.676 114.554 -0.093 0.000 2.902 31 T HA 0.175 4.524 4.350 -0.001 0.000 0.287 31 T C 0.945 175.557 174.700 -0.146 0.000 1.048 31 T CA -0.570 61.475 62.100 -0.091 0.000 0.941 31 T CB 1.121 69.933 68.868 -0.093 0.000 1.432 31 T HN 0.506 nan 8.240 nan 0.000 0.586 32 S N -0.546 115.087 115.700 -0.110 0.000 2.602 32 S HA 0.337 4.806 4.470 -0.001 0.000 0.240 32 S C 0.171 174.683 174.600 -0.147 0.000 0.992 32 S CA -0.734 57.418 58.200 -0.079 0.000 0.971 32 S CB -0.309 62.934 63.200 0.072 0.000 0.855 32 S HN 0.579 nan 8.310 nan 0.000 0.481 33 I N 2.698 123.127 120.570 -0.236 0.000 2.325 33 I HA 0.460 4.629 4.170 -0.001 0.000 0.291 33 I C -0.688 175.306 176.117 -0.205 0.000 1.019 33 I CA -0.802 60.456 61.300 -0.070 0.000 1.302 33 I CB -0.387 37.696 38.000 0.139 0.000 1.401 33 I HN 0.172 nan 8.210 nan 0.000 0.485 34 F N 5.955 126.053 119.950 0.248 0.000 2.532 34 F HA 0.541 5.068 4.527 -0.001 0.000 0.321 34 F C -0.302 175.598 175.800 0.168 0.000 1.089 34 F CA -0.631 57.507 58.000 0.231 0.000 0.926 34 F CB 1.822 40.857 39.000 0.059 0.000 1.168 34 F HN 0.220 nan 8.300 nan 0.000 0.459 35 Y N 0.779 121.176 120.300 0.162 0.000 2.562 35 Y HA 0.395 4.945 4.550 -0.000 0.000 0.343 35 Y C -0.180 175.616 175.900 -0.174 0.000 1.025 35 Y CA -1.034 57.067 58.100 0.002 0.000 1.082 35 Y CB 1.436 39.835 38.460 -0.101 0.000 1.264 35 Y HN 0.508 nan 8.280 nan 0.000 0.478 36 H N 1.092 120.058 119.070 -0.173 0.000 2.616 36 H HA 0.897 5.453 4.556 -0.001 0.000 0.353 36 H C -1.750 173.297 175.328 -0.468 0.000 1.170 36 H CA -0.837 55.003 56.048 -0.346 0.000 1.212 36 H CB 1.749 31.292 29.762 -0.365 0.000 1.653 36 H HN 0.798 nan 8.280 nan 0.000 0.537 37 A N 1.623 124.091 122.820 -0.586 0.000 2.555 37 A HA 0.591 4.911 4.320 -0.001 0.000 0.297 37 A C -1.095 176.344 177.584 -0.241 0.000 1.060 37 A CA -0.066 51.827 52.037 -0.239 0.000 0.710 37 A CB 1.321 20.036 19.000 -0.474 0.000 1.282 37 A HN 0.982 nan 8.150 nan 0.000 0.399 38 G N 0.835 109.647 108.800 0.019 0.000 2.739 38 G HA2 0.647 4.606 3.960 -0.001 0.000 0.292 38 G HA3 0.647 4.606 3.960 -0.001 0.000 0.292 38 G C -0.063 174.887 174.900 0.084 0.000 1.444 38 G CA 0.311 45.436 45.100 0.042 0.000 1.144 38 G HN 1.849 nan 8.290 nan 0.000 0.550 39 S N 1.232 116.965 115.700 0.056 0.000 2.572 39 S HA 0.280 4.750 4.470 -0.001 0.000 0.267 39 S C 1.698 176.321 174.600 0.038 0.000 1.361 39 S CA 0.803 59.021 58.200 0.029 0.000 1.009 39 S CB 1.033 64.198 63.200 -0.058 0.000 0.888 39 S HN 1.385 nan 8.310 nan 0.000 0.553 40 S N 1.964 117.698 115.700 0.056 0.000 2.310 40 S HA 0.127 4.596 4.470 -0.001 0.000 0.201 40 S C 0.846 175.473 174.600 0.046 0.000 1.032 40 S CA 0.298 58.539 58.200 0.069 0.000 0.993 40 S CB -0.485 62.766 63.200 0.084 0.000 0.970 40 S HN 1.004 nan 8.310 nan 0.000 0.446 41 R N 0.545 121.080 120.500 0.057 0.000 2.921 41 R HA 0.366 4.706 4.340 -0.001 0.000 0.269 41 R C -1.631 174.730 176.300 0.101 0.000 1.696 41 R CA -0.395 55.734 56.100 0.048 0.000 1.161 41 R CB 0.221 30.552 30.300 0.052 0.000 1.337 41 R HN 0.407 nan 8.270 nan 0.000 0.496 42 L N 4.095 125.367 121.223 0.082 0.000 2.525 42 L HA 0.190 4.530 4.340 -0.001 0.000 0.278 42 L C -0.271 176.806 176.870 0.344 0.000 1.218 42 L CA 0.071 55.051 54.840 0.234 0.000 0.878 42 L CB 0.242 42.233 42.059 -0.112 0.000 1.127 42 L HN 0.477 nan 8.230 nan 0.000 0.492 43 L N 2.935 124.462 121.223 0.506 0.000 2.466 43 L HA 0.752 5.092 4.340 -0.001 0.000 0.258 43 L C -0.558 176.529 176.870 0.361 0.000 0.973 43 L CA 0.065 55.125 54.840 0.367 0.000 0.826 43 L CB 2.534 44.712 42.059 0.198 0.000 1.372 43 L HN 0.661 nan 8.230 nan 0.000 0.409 44 T N 2.993 117.705 114.554 0.263 0.000 3.225 44 T HA 0.700 5.049 4.350 -0.001 0.000 0.356 44 T C -1.850 172.887 174.700 0.062 0.000 1.460 44 T CA 0.137 62.315 62.100 0.131 0.000 1.126 44 T CB 0.879 69.816 68.868 0.114 0.000 1.321 44 T HN 1.366 nan 8.240 nan 0.000 0.478 45 V N 0.946 120.869 119.914 0.015 0.000 3.087 45 V HA 1.105 5.225 4.120 -0.001 0.000 0.306 45 V C -0.073 176.020 176.094 -0.002 0.000 1.187 45 V CA 0.130 62.427 62.300 -0.005 0.000 0.999 45 V CB 1.343 33.158 31.823 -0.012 0.000 1.049 45 V HN 1.640 nan 8.190 nan 0.000 0.431 46 G N 0.873 109.674 108.800 0.003 0.000 2.441 46 G HA2 0.398 4.358 3.960 -0.001 0.000 0.294 46 G HA3 0.398 4.358 3.960 -0.001 0.000 0.294 46 G C -2.056 172.833 174.900 -0.019 0.000 1.393 46 G CA -0.242 44.860 45.100 0.003 0.000 0.796 46 G HN 1.027 nan 8.290 nan 0.000 0.494 47 D N 0.552 120.917 120.400 -0.058 0.000 2.351 47 D HA 0.277 4.917 4.640 -0.001 0.000 0.251 47 D C -1.071 175.112 176.300 -0.195 0.000 1.137 47 D CA -1.677 52.211 54.000 -0.188 0.000 0.879 47 D CB 2.298 42.935 40.800 -0.270 0.000 1.181 47 D HN 0.043 nan 8.370 nan 0.000 0.448 48 P HA -0.107 nan 4.420 nan 0.000 0.225 48 P C 0.889 178.188 177.300 -0.001 0.000 1.156 48 P CA 1.053 64.046 63.100 -0.177 0.000 0.787 48 P CB 0.124 31.597 31.700 -0.378 0.000 0.802 49 Y N -0.712 119.409 120.300 -0.299 0.000 2.522 49 Y HA 0.209 4.759 4.550 -0.001 0.000 0.277 49 Y C 1.025 176.852 175.900 -0.121 0.000 1.104 49 Y CA -0.672 57.270 58.100 -0.262 0.000 1.260 49 Y CB 0.294 38.535 38.460 -0.366 0.000 1.151 49 Y HN -0.123 nan 8.280 nan 0.000 0.539 50 F N -1.032 119.017 119.950 0.165 0.000 2.799 50 F HA 0.428 4.955 4.527 -0.001 0.000 0.316 50 F C -1.151 174.690 175.800 0.069 0.000 1.155 50 F CA -2.300 55.762 58.000 0.104 0.000 0.916 50 F CB 0.590 39.643 39.000 0.089 0.000 1.294 50 F HN -0.226 nan 8.300 nan 0.000 0.447 51 R N 0.830 121.552 120.500 0.369 0.000 2.410 51 R HA 0.779 5.119 4.340 -0.001 0.000 0.288 51 R C -1.556 174.916 176.300 0.287 0.000 1.051 51 R CA -0.828 55.409 56.100 0.227 0.000 1.021 51 R CB 1.437 31.816 30.300 0.132 0.000 1.032 51 R HN 0.526 nan 8.270 nan 0.000 0.481 52 V N 4.126 124.167 119.914 0.212 0.000 2.348 52 V HA 0.252 4.372 4.120 -0.001 0.000 0.270 52 V C -2.000 174.162 176.094 0.114 0.000 1.037 52 V CA -2.307 60.116 62.300 0.205 0.000 0.872 52 V CB 0.932 32.873 31.823 0.197 0.000 1.002 52 V HN 0.791 nan 8.190 nan 0.000 0.464 53 P HA 0.027 nan 4.420 nan 0.000 0.261 53 P C 0.260 177.589 177.300 0.048 0.000 1.173 53 P CA 0.378 63.508 63.100 0.050 0.000 0.760 53 P CB 0.384 32.101 31.700 0.029 0.000 0.783 54 A N 4.314 127.155 122.820 0.037 0.000 2.616 54 A HA 0.248 4.568 4.320 -0.001 0.000 0.234 54 A C 1.820 179.421 177.584 0.029 0.000 1.024 54 A CA 0.737 52.792 52.037 0.030 0.000 0.758 54 A CB -1.213 17.798 19.000 0.019 0.000 0.939 54 A HN 0.934 nan 8.150 nan 0.000 0.510 55 G N 1.775 110.592 108.800 0.029 0.000 2.291 55 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.287 55 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.287 55 G C 1.486 176.404 174.900 0.029 0.000 0.998 55 G CA 1.630 46.746 45.100 0.026 0.000 0.728 55 G HN 2.006 nan 8.290 nan 0.000 0.519 56 G N 0.235 109.056 108.800 0.035 0.000 2.628 56 G HA2 0.027 3.987 3.960 -0.001 0.000 0.217 56 G HA3 0.027 3.987 3.960 -0.001 0.000 0.217 56 G C 1.717 176.641 174.900 0.040 0.000 1.240 56 G CA 1.853 46.974 45.100 0.035 0.000 0.792 56 G HN 1.285 nan 8.290 nan 0.000 0.593 57 G N 0.894 109.728 108.800 0.057 0.000 2.557 57 G HA2 0.105 4.064 3.960 -0.001 0.000 0.213 57 G HA3 0.105 4.064 3.960 -0.001 0.000 0.213 57 G C 0.608 175.535 174.900 0.044 0.000 1.221 57 G CA 0.623 45.760 45.100 0.062 0.000 0.832 57 G HN 0.688 nan 8.290 nan 0.000 0.556 58 N N 0.216 118.941 118.700 0.042 0.000 2.504 58 N HA 0.171 4.910 4.740 -0.001 0.000 0.280 58 N C -0.571 174.951 175.510 0.021 0.000 1.052 58 N CA -0.614 52.450 53.050 0.023 0.000 0.887 58 N CB 2.104 40.596 38.487 0.008 0.000 1.323 58 N HN 0.323 nan 8.380 nan 0.000 0.509 59 K N 2.431 122.841 120.400 0.016 0.000 2.412 59 K HA -0.345 3.975 4.320 -0.001 0.000 0.245 59 K C -0.574 176.033 176.600 0.012 0.000 1.044 59 K CA 1.071 57.365 56.287 0.013 0.000 1.125 59 K CB -0.017 32.488 32.500 0.008 0.000 0.719 59 K HN 0.861 nan 8.250 nan 0.000 0.454 60 Q N 2.307 122.115 119.800 0.013 0.000 3.182 60 Q HA -0.143 4.197 4.340 -0.001 0.000 0.046 60 Q C -1.312 174.699 176.000 0.018 0.000 1.680 60 Q CA 1.016 56.826 55.803 0.011 0.000 0.262 60 Q CB -0.024 28.716 28.738 0.005 0.000 0.583 60 Q HN 0.763 nan 8.270 nan 0.000 0.322 61 D N 3.665 124.076 120.400 0.018 0.000 2.571 61 D HA -0.011 4.628 4.640 -0.001 0.000 0.231 61 D C 0.324 176.640 176.300 0.026 0.000 1.133 61 D CA 0.650 54.666 54.000 0.026 0.000 0.862 61 D CB 0.415 41.227 40.800 0.020 0.000 1.179 61 D HN 0.306 nan 8.370 nan 0.000 0.474 62 I N 4.129 124.725 120.570 0.043 0.000 2.307 62 I HA 0.197 4.367 4.170 -0.001 0.000 0.289 62 I C -2.122 174.020 176.117 0.042 0.000 1.021 62 I CA -2.252 59.071 61.300 0.038 0.000 1.224 62 I CB 1.045 39.078 38.000 0.056 0.000 1.376 62 I HN -0.052 nan 8.210 nan 0.000 0.470 63 P HA 0.129 nan 4.420 nan 0.000 0.274 63 P C -0.338 176.982 177.300 0.035 0.000 1.246 63 P CA -0.597 62.516 63.100 0.022 0.000 0.795 63 P CB 0.767 32.461 31.700 -0.011 0.000 1.006 64 K N 1.538 121.971 120.400 0.055 0.000 2.310 64 K HA 0.244 4.563 4.320 -0.001 0.000 0.290 64 K C -1.147 175.501 176.600 0.079 0.000 1.077 64 K CA -0.219 56.108 56.287 0.067 0.000 0.922 64 K CB -0.119 32.444 32.500 0.104 0.000 1.057 64 K HN 0.202 nan 8.250 nan 0.000 0.479 65 V N 3.242 123.208 119.914 0.088 0.000 2.334 65 V HA 0.227 4.347 4.120 -0.001 0.000 0.281 65 V C -0.128 176.128 176.094 0.271 0.000 1.016 65 V CA -0.583 61.811 62.300 0.156 0.000 0.832 65 V CB 1.185 33.078 31.823 0.117 0.000 0.999 65 V HN 0.718 nan 8.190 nan 0.000 0.439 66 S N 3.299 119.172 115.700 0.288 0.000 2.570 66 S HA 0.747 5.216 4.470 -0.001 0.000 0.286 66 S C 0.913 175.671 174.600 0.263 0.000 1.099 66 S CA 0.196 58.560 58.200 0.273 0.000 0.913 66 S CB 2.189 65.549 63.200 0.266 0.000 1.085 66 S HN 0.883 nan 8.310 nan 0.000 0.480 67 A N 2.133 124.980 122.820 0.046 0.000 2.167 67 A HA 0.214 4.534 4.320 -0.001 0.000 0.214 67 A C 0.479 177.935 177.584 -0.212 0.000 1.151 67 A CA 0.672 52.681 52.037 -0.046 0.000 0.735 67 A CB -0.530 18.293 19.000 -0.295 0.000 0.802 67 A HN 0.825 nan 8.150 nan 0.000 0.467 68 Y N 0.948 121.337 120.300 0.148 0.000 2.718 68 Y HA 0.224 4.774 4.550 -0.001 0.000 0.322 68 Y C 0.542 176.501 175.900 0.099 0.000 1.122 68 Y CA -0.221 57.958 58.100 0.131 0.000 1.348 68 Y CB -0.108 38.470 38.460 0.197 0.000 1.174 68 Y HN 0.535 nan 8.280 nan 0.000 0.523 69 Q N -1.851 118.051 119.800 0.170 0.000 2.372 69 Q HA 0.373 4.713 4.340 -0.001 0.000 0.273 69 Q C -1.441 174.640 176.000 0.135 0.000 1.078 69 Q CA -1.313 54.595 55.803 0.175 0.000 0.806 69 Q CB 1.338 30.197 28.738 0.202 0.000 1.332 69 Q HN 0.144 nan 8.270 nan 0.000 0.435 70 Y N 0.967 121.321 120.300 0.090 0.000 2.702 70 Y HA 0.057 4.606 4.550 -0.001 0.000 0.336 70 Y C 0.483 176.372 175.900 -0.017 0.000 1.235 70 Y CA 0.205 58.334 58.100 0.048 0.000 1.492 70 Y CB 0.572 39.052 38.460 0.034 0.000 1.308 70 Y HN 0.310 nan 8.280 nan 0.000 0.589 71 R N 2.549 123.070 120.500 0.035 0.000 2.337 71 R HA 0.400 4.740 4.340 -0.001 0.000 0.319 71 R C -1.646 174.443 176.300 -0.351 0.000 0.954 71 R CA -0.720 55.201 56.100 -0.299 0.000 0.840 71 R CB 1.168 31.097 30.300 -0.618 0.000 1.164 71 R HN 0.419 nan 8.270 nan 0.000 0.472 72 V N 5.451 125.212 119.914 -0.254 0.000 2.311 72 V HA 0.381 4.500 4.120 -0.001 0.000 0.275 72 V C -0.235 175.763 176.094 -0.161 0.000 1.022 72 V CA -0.647 61.613 62.300 -0.067 0.000 0.830 72 V CB 0.436 32.398 31.823 0.233 0.000 1.012 72 V HN 0.434 nan 8.190 nan 0.000 0.452 73 F N 3.449 123.419 119.950 0.034 0.000 2.410 73 F HA 0.520 5.047 4.527 -0.000 0.000 0.349 73 F C 0.846 176.585 175.800 -0.102 0.000 1.117 73 F CA -0.521 57.452 58.000 -0.045 0.000 1.104 73 F CB 1.063 39.948 39.000 -0.192 0.000 1.122 73 F HN 0.306 nan 8.300 nan 0.000 0.483 74 R N 3.623 124.119 120.500 -0.008 0.000 2.391 74 R HA 0.418 4.757 4.340 -0.001 0.000 0.310 74 R C -1.361 174.783 176.300 -0.260 0.000 1.174 74 R CA -0.369 55.475 56.100 -0.427 0.000 1.118 74 R CB 0.442 30.467 30.300 -0.459 0.000 1.134 74 R HN 0.540 nan 8.270 nan 0.000 0.524 75 V N 4.531 124.277 119.914 -0.281 0.000 2.439 75 V HA 0.020 4.140 4.120 -0.001 0.000 0.271 75 V C 0.317 176.249 176.094 -0.270 0.000 1.040 75 V CA -0.156 62.005 62.300 -0.230 0.000 1.002 75 V CB 1.087 32.726 31.823 -0.306 0.000 1.000 75 V HN 0.620 nan 8.190 nan 0.000 0.477 76 Q N 5.003 124.692 119.800 -0.185 0.000 2.294 76 Q HA 0.470 4.810 4.340 -0.001 0.000 0.257 76 Q C -0.796 175.078 176.000 -0.211 0.000 0.955 76 Q CA 0.186 55.888 55.803 -0.169 0.000 0.936 76 Q CB 0.872 29.552 28.738 -0.096 0.000 1.188 76 Q HN 0.691 nan 8.270 nan 0.000 0.420 77 L N 6.012 127.079 121.223 -0.260 0.000 2.387 77 L HA 0.667 5.006 4.340 -0.001 0.000 0.266 77 L C -1.937 174.696 176.870 -0.395 0.000 1.059 77 L CA -2.307 52.279 54.840 -0.423 0.000 0.801 77 L CB 1.453 43.207 42.059 -0.507 0.000 1.223 77 L HN 0.616 nan 8.230 nan 0.000 0.456 78 P HA 0.019 nan 4.420 nan 0.000 0.277 78 P C -1.153 175.958 177.300 -0.316 0.000 1.240 78 P CA -0.399 62.401 63.100 -0.499 0.000 0.798 78 P CB 1.007 32.177 31.700 -0.883 0.000 0.979 79 D N 3.606 123.895 120.400 -0.184 0.000 2.346 79 D HA 0.027 4.666 4.640 -0.001 0.000 0.260 79 D C -1.059 175.122 176.300 -0.199 0.000 1.252 79 D CA -1.948 51.977 54.000 -0.126 0.000 0.895 79 D CB 0.591 41.373 40.800 -0.031 0.000 1.097 79 D HN 0.226 nan 8.370 nan 0.000 0.489 80 P HA -0.122 nan 4.420 nan 0.000 0.225 80 P C 0.675 177.813 177.300 -0.271 0.000 1.148 80 P CA 0.546 63.306 63.100 -0.568 0.000 0.779 80 P CB 0.636 31.588 31.700 -1.248 0.000 0.780 81 N N 1.619 120.208 118.700 -0.185 0.000 2.124 81 N HA -0.063 4.677 4.740 -0.001 0.000 0.189 81 N C 1.133 176.656 175.510 0.023 0.000 1.050 81 N CA 1.094 54.093 53.050 -0.085 0.000 0.848 81 N CB -0.610 37.836 38.487 -0.068 0.000 1.027 81 N HN 0.301 nan 8.380 nan 0.000 0.435 82 K N 0.431 120.857 120.400 0.043 0.000 3.077 82 K HA 0.066 4.386 4.320 -0.001 0.000 0.269 82 K C -0.355 176.329 176.600 0.140 0.000 0.973 82 K CA -0.034 56.296 56.287 0.071 0.000 1.162 82 K CB -0.506 32.028 32.500 0.056 0.000 1.079 82 K HN 0.066 nan 8.250 nan 0.000 0.456 83 F N 0.297 120.206 119.950 -0.068 0.000 2.556 83 F HA 0.500 5.026 4.527 -0.001 0.000 0.327 83 F C 0.336 176.123 175.800 -0.021 0.000 1.059 83 F CA -1.455 56.508 58.000 -0.061 0.000 0.953 83 F CB 1.468 40.397 39.000 -0.118 0.000 1.227 83 F HN 0.007 nan 8.300 nan 0.000 0.478 84 G N 5.666 113.987 108.800 -0.798 0.000 2.448 84 G HA2 0.446 4.406 3.960 -0.001 0.000 0.309 84 G HA3 0.446 4.406 3.960 -0.001 0.000 0.309 84 G C -0.673 173.859 174.900 -0.613 0.000 1.027 84 G CA -0.487 44.252 45.100 -0.602 0.000 1.104 84 G HN 0.622 nan 8.290 nan 0.000 0.428 85 L N 3.816 124.902 121.223 -0.228 0.000 2.453 85 L HA 0.254 4.594 4.340 -0.001 0.000 0.261 85 L C -0.472 176.403 176.870 0.007 0.000 1.179 85 L CA -1.682 53.138 54.840 -0.035 0.000 0.813 85 L CB 1.274 43.354 42.059 0.035 0.000 1.110 85 L HN 0.369 nan 8.230 nan 0.000 0.466 86 P HA -0.108 nan 4.420 nan 0.000 0.222 86 P C -0.292 177.034 177.300 0.044 0.000 1.147 86 P CA 1.144 64.283 63.100 0.065 0.000 0.790 86 P CB 0.176 31.927 31.700 0.084 0.000 0.780 87 D N -1.759 118.672 120.400 0.051 0.000 2.369 87 D HA 0.089 4.728 4.640 -0.001 0.000 0.212 87 D C -0.494 175.841 176.300 0.057 0.000 1.326 87 D CA -0.245 53.781 54.000 0.044 0.000 0.933 87 D CB 0.107 40.935 40.800 0.046 0.000 1.516 87 D HN -0.355 nan 8.370 nan 0.000 0.557 88 T N 1.410 115.996 114.554 0.052 0.000 3.500 88 T HA 0.194 4.544 4.350 -0.001 0.000 0.244 88 T C 0.727 175.489 174.700 0.103 0.000 0.962 88 T CA 0.311 62.466 62.100 0.092 0.000 0.932 88 T CB -0.359 68.549 68.868 0.068 0.000 1.096 88 T HN 0.362 nan 8.240 nan 0.000 0.617 89 S N -0.123 115.632 115.700 0.092 0.000 2.794 89 S HA 0.310 4.779 4.470 -0.001 0.000 0.244 89 S C 0.809 175.462 174.600 0.089 0.000 1.045 89 S CA -0.590 57.651 58.200 0.069 0.000 1.114 89 S CB -0.162 63.058 63.200 0.033 0.000 1.085 89 S HN 0.174 nan 8.310 nan 0.000 0.488 90 I N 1.027 121.688 120.570 0.151 0.000 3.081 90 I HA 0.289 4.458 4.170 -0.001 0.000 0.274 90 I C 0.802 177.021 176.117 0.169 0.000 1.178 90 I CA 0.293 61.658 61.300 0.108 0.000 1.460 90 I CB -0.864 37.155 38.000 0.032 0.000 1.137 90 I HN 0.743 nan 8.210 nan 0.000 0.443 91 Y N -0.409 119.861 120.300 -0.050 0.000 2.677 91 Y HA 0.585 5.134 4.550 -0.001 0.000 0.334 91 Y C -0.433 175.431 175.900 -0.060 0.000 1.154 91 Y CA -1.595 56.468 58.100 -0.062 0.000 1.070 91 Y CB 1.106 39.511 38.460 -0.093 0.000 1.294 91 Y HN -0.094 nan 8.280 nan 0.000 0.475 92 N N 3.611 122.153 118.700 -0.264 0.000 2.500 92 N HA 0.304 5.044 4.740 -0.001 0.000 0.236 92 N C -2.148 172.948 175.510 -0.690 0.000 1.022 92 N CA -3.034 49.764 53.050 -0.421 0.000 0.935 92 N CB 1.144 39.519 38.487 -0.188 0.000 1.147 92 N HN 0.471 nan 8.380 nan 0.000 0.512 93 P HA -0.067 nan 4.420 nan 0.000 0.242 93 P C 0.128 177.235 177.300 -0.323 0.000 1.198 93 P CA 0.815 63.475 63.100 -0.733 0.000 0.756 93 P CB 0.553 31.915 31.700 -0.562 0.000 0.911 94 E N -0.464 119.580 120.200 -0.260 0.000 2.166 94 E HA -0.011 4.339 4.350 -0.001 0.000 0.192 94 E C 1.814 178.349 176.600 -0.108 0.000 0.967 94 E CA 1.591 57.903 56.400 -0.147 0.000 0.840 94 E CB -0.402 29.227 29.700 -0.117 0.000 0.795 94 E HN 0.407 nan 8.360 nan 0.000 0.470 95 T N -1.820 112.665 114.554 -0.115 0.000 2.969 95 T HA 0.105 4.455 4.350 -0.001 0.000 0.250 95 T C 0.918 175.588 174.700 -0.051 0.000 1.021 95 T CA -0.269 61.793 62.100 -0.063 0.000 1.003 95 T CB 0.323 69.164 68.868 -0.044 0.000 1.040 95 T HN 0.038 nan 8.240 nan 0.000 0.492 96 Q N 0.139 119.899 119.800 -0.067 0.000 2.416 96 Q HA 0.735 5.075 4.340 -0.001 0.000 0.279 96 Q C -1.012 174.981 176.000 -0.012 0.000 1.101 96 Q CA -1.369 54.426 55.803 -0.013 0.000 0.830 96 Q CB 2.021 30.807 28.738 0.080 0.000 1.402 96 Q HN -0.056 nan 8.270 nan 0.000 0.445 97 R N 0.423 120.802 120.500 -0.202 0.000 2.902 97 R HA 0.619 4.959 4.340 -0.001 0.000 0.258 97 R C -0.757 175.270 176.300 -0.454 0.000 1.071 97 R CA -0.963 54.851 56.100 -0.477 0.000 1.024 97 R CB 1.349 30.795 30.300 -1.423 0.000 1.184 97 R HN 0.627 nan 8.270 nan 0.000 0.492 98 L N 1.331 122.221 121.223 -0.554 0.000 2.317 98 L HA 0.606 4.946 4.340 -0.001 0.000 0.281 98 L C -0.580 176.079 176.870 -0.352 0.000 1.024 98 L CA -0.977 53.544 54.840 -0.532 0.000 0.810 98 L CB 1.926 43.556 42.059 -0.715 0.000 1.240 98 L HN 0.193 nan 8.230 nan 0.000 0.427 99 V N 0.002 119.720 119.914 -0.326 0.000 2.925 99 V HA 0.349 4.468 4.120 -0.001 0.000 0.311 99 V C -1.101 174.823 176.094 -0.282 0.000 1.104 99 V CA -0.969 61.206 62.300 -0.207 0.000 0.954 99 V CB 1.956 33.763 31.823 -0.026 0.000 1.022 99 V HN 0.668 nan 8.190 nan 0.000 0.427 100 W N 2.107 123.321 121.300 -0.143 0.000 2.388 100 W HA 0.631 5.291 4.660 -0.001 0.000 0.308 100 W C 0.467 176.936 176.519 -0.084 0.000 1.263 100 W CA -0.268 56.987 57.345 -0.148 0.000 1.286 100 W CB 1.114 30.402 29.460 -0.287 0.000 1.294 100 W HN 0.766 nan 8.180 nan 0.000 0.493 101 A N 4.125 127.140 122.820 0.326 0.000 2.290 101 A HA 0.425 4.744 4.320 -0.001 0.000 0.310 101 A C -0.593 177.158 177.584 0.280 0.000 1.202 101 A CA -0.628 51.508 52.037 0.165 0.000 0.837 101 A CB 0.611 19.657 19.000 0.076 0.000 1.139 101 A HN 0.753 nan 8.150 nan 0.000 0.509 102 C N 2.431 121.806 119.300 0.126 0.000 2.593 102 C HA 0.581 5.041 4.460 -0.001 0.000 0.409 102 C C 1.244 176.178 174.990 -0.093 0.000 1.304 102 C CA 0.611 59.615 59.018 -0.023 0.000 2.007 102 C CB -0.001 27.680 27.740 -0.098 0.000 2.614 102 C HN 1.080 nan 8.230 nan 0.000 0.585 103 A N 3.641 126.387 122.820 -0.124 0.000 2.653 103 A HA 0.646 4.966 4.320 -0.001 0.000 0.248 103 A C 0.462 178.087 177.584 0.069 0.000 1.211 103 A CA 0.562 52.614 52.037 0.025 0.000 0.991 103 A CB -0.048 19.051 19.000 0.164 0.000 1.252 103 A HN 1.530 nan 8.150 nan 0.000 0.593 104 G N -0.489 108.238 108.800 -0.123 0.000 2.752 104 G HA2 0.538 4.498 3.960 -0.001 0.000 0.298 104 G HA3 0.538 4.498 3.960 -0.001 0.000 0.298 104 G C -1.547 173.111 174.900 -0.402 0.000 1.434 104 G CA -0.229 44.817 45.100 -0.090 0.000 1.004 104 G HN 0.568 nan 8.290 nan 0.000 0.560 105 V N 0.538 120.142 119.914 -0.517 0.000 2.962 105 V HA 0.829 4.949 4.120 -0.001 0.000 0.313 105 V C -0.516 175.260 176.094 -0.530 0.000 1.099 105 V CA -0.881 61.060 62.300 -0.598 0.000 0.971 105 V CB 2.265 33.794 31.823 -0.490 0.000 1.028 105 V HN 0.940 nan 8.190 nan 0.000 0.430 106 E N 2.416 122.276 120.200 -0.567 0.000 2.542 106 E HA 0.423 4.773 4.350 -0.001 0.000 0.298 106 E C -1.788 174.622 176.600 -0.316 0.000 0.980 106 E CA -0.576 55.590 56.400 -0.390 0.000 0.792 106 E CB 1.169 30.606 29.700 -0.438 0.000 1.463 106 E HN 0.611 nan 8.360 nan 0.000 0.389 107 I N 3.557 124.059 120.570 -0.115 0.000 2.421 107 I HA 0.251 4.421 4.170 -0.001 0.000 0.291 107 I C 0.926 176.961 176.117 -0.136 0.000 1.089 107 I CA 0.402 61.601 61.300 -0.168 0.000 1.354 107 I CB 1.197 39.110 38.000 -0.146 0.000 1.413 107 I HN 0.517 nan 8.210 nan 0.000 0.513 108 G N 6.836 115.527 108.800 -0.183 0.000 2.370 108 G HA2 0.474 4.434 3.960 -0.001 0.000 0.272 108 G HA3 0.474 4.434 3.960 -0.001 0.000 0.272 108 G C -0.112 174.668 174.900 -0.199 0.000 1.208 108 G CA -0.619 44.392 45.100 -0.148 0.000 0.856 108 G HN 0.354 nan 8.290 nan 0.000 0.500 109 R N 1.164 121.567 120.500 -0.162 0.000 2.664 109 R HA 0.511 4.851 4.340 -0.001 0.000 0.286 109 R C 0.942 177.144 176.300 -0.163 0.000 0.967 109 R CA -0.294 55.654 56.100 -0.255 0.000 0.933 109 R CB 1.886 32.067 30.300 -0.198 0.000 1.146 109 R HN 0.575 nan 8.270 nan 0.000 0.468 110 G N 1.182 109.868 108.800 -0.189 0.000 2.695 110 G HA2 -0.044 3.915 3.960 -0.001 0.000 0.219 110 G HA3 -0.044 3.915 3.960 -0.001 0.000 0.219 110 G C 0.164 175.021 174.900 -0.072 0.000 1.295 110 G CA 0.054 45.090 45.100 -0.107 0.000 0.882 110 G HN 0.333 nan 8.290 nan 0.000 0.570 111 Q N 1.030 120.789 119.800 -0.068 0.000 2.870 111 Q HA 0.213 4.553 4.340 -0.001 0.000 0.193 111 Q C -2.031 173.959 176.000 -0.017 0.000 1.148 111 Q CA -0.901 54.883 55.803 -0.032 0.000 1.212 111 Q CB -0.239 28.485 28.738 -0.023 0.000 1.290 111 Q HN 0.274 nan 8.270 nan 0.000 0.686 112 P HA 0.196 nan 4.420 nan 0.000 0.279 112 P C -0.582 176.730 177.300 0.020 0.000 1.252 112 P CA -0.574 62.531 63.100 0.008 0.000 0.811 112 P CB 0.662 32.367 31.700 0.009 0.000 1.035 113 L N 0.993 122.229 121.223 0.021 0.000 2.461 113 L HA 0.516 4.855 4.340 -0.001 0.000 0.272 113 L C 1.172 178.064 176.870 0.037 0.000 1.197 113 L CA 1.431 56.290 54.840 0.031 0.000 0.836 113 L CB -0.295 41.780 42.059 0.026 0.000 1.105 113 L HN 0.772 nan 8.230 nan 0.000 0.477 114 G N 1.618 110.446 108.800 0.047 0.000 2.576 114 G HA2 0.596 4.555 3.960 -0.001 0.000 0.290 114 G HA3 0.596 4.555 3.960 -0.001 0.000 0.290 114 G C -1.592 173.343 174.900 0.059 0.000 1.442 114 G CA -0.024 45.106 45.100 0.051 0.000 0.792 114 G HN 0.701 nan 8.290 nan 0.000 0.491 115 V N -2.114 117.835 119.914 0.058 0.000 3.046 115 V HA 1.081 5.200 4.120 -0.001 0.000 0.316 115 V C 0.245 176.378 176.094 0.064 0.000 1.104 115 V CA -0.316 62.026 62.300 0.070 0.000 1.006 115 V CB 1.657 33.523 31.823 0.071 0.000 1.058 115 V HN 2.021 nan 8.190 nan 0.000 0.440 116 G N 1.163 110.010 108.800 0.079 0.000 2.742 116 G HA2 0.605 4.565 3.960 -0.001 0.000 0.296 116 G HA3 0.605 4.565 3.960 -0.001 0.000 0.296 116 G C -1.525 173.397 174.900 0.037 0.000 1.436 116 G CA -0.983 44.153 45.100 0.060 0.000 0.928 116 G HN 0.901 nan 8.290 nan 0.000 0.520 117 L N 0.614 121.840 121.223 0.005 0.000 2.399 117 L HA 0.691 5.031 4.340 -0.001 0.000 0.265 117 L C 0.321 177.107 176.870 -0.141 0.000 1.089 117 L CA -0.715 54.074 54.840 -0.086 0.000 0.802 117 L CB 1.770 43.791 42.059 -0.063 0.000 1.180 117 L HN 0.432 nan 8.230 nan 0.000 0.454 118 S N -0.105 115.360 115.700 -0.393 0.000 2.521 118 S HA 0.815 5.285 4.470 -0.001 0.000 0.295 118 S C -0.073 174.263 174.600 -0.440 0.000 1.098 118 S CA -0.624 57.247 58.200 -0.550 0.000 0.999 118 S CB 2.012 64.737 63.200 -0.793 0.000 1.034 118 S HN 0.857 nan 8.310 nan 0.000 0.483 119 G N 0.918 109.439 108.800 -0.464 0.000 2.866 119 G HA2 0.648 4.608 3.960 -0.001 0.000 0.289 119 G HA3 0.648 4.608 3.960 -0.001 0.000 0.289 119 G C -1.960 172.842 174.900 -0.164 0.000 1.396 119 G CA -0.411 44.538 45.100 -0.251 0.000 0.848 119 G HN 0.617 nan 8.290 nan 0.000 0.515 120 H N -0.349 118.642 119.070 -0.131 0.000 2.771 120 H HA 0.412 4.968 4.556 -0.001 0.000 0.361 120 H C -2.145 173.098 175.328 -0.142 0.000 1.108 120 H CA -1.643 54.355 56.048 -0.083 0.000 1.201 120 H CB 3.000 32.783 29.762 0.036 0.000 1.681 120 H HN 0.111 nan 8.280 nan 0.000 0.534 121 P HA -0.030 nan 4.420 nan 0.000 0.220 121 P C -0.205 176.794 177.300 -0.502 0.000 1.148 121 P CA 1.306 64.116 63.100 -0.483 0.000 0.803 121 P CB 0.103 31.241 31.700 -0.938 0.000 0.782 122 F N -3.162 117.071 119.950 0.471 0.000 2.623 122 F HA 0.266 4.793 4.527 -0.001 0.000 0.361 122 F C 0.214 175.949 175.800 -0.109 0.000 1.469 122 F CA -1.242 56.838 58.000 0.132 0.000 1.126 122 F CB -0.293 38.761 39.000 0.090 0.000 1.221 122 F HN -0.210 nan 8.300 nan 0.000 0.536 123 Y N 2.122 122.364 120.300 -0.098 0.000 2.712 123 Y HA -0.009 4.541 4.550 -0.001 0.000 0.333 123 Y C 0.853 176.631 175.900 -0.203 0.000 1.225 123 Y CA -0.008 57.948 58.100 -0.239 0.000 1.499 123 Y CB 0.427 38.759 38.460 -0.213 0.000 1.288 123 Y HN 0.266 nan 8.280 nan 0.000 0.575 124 N N 6.270 124.679 118.700 -0.485 0.000 2.968 124 N HA 0.046 4.785 4.740 -0.001 0.000 0.271 124 N C -1.294 174.067 175.510 -0.248 0.000 1.174 124 N CA -0.056 52.810 53.050 -0.306 0.000 1.096 124 N CB -0.269 38.027 38.487 -0.320 0.000 1.403 124 N HN 0.576 nan 8.380 nan 0.000 0.522 125 K N 3.662 123.989 120.400 -0.121 0.000 2.425 125 K HA 0.134 4.453 4.320 -0.001 0.000 0.259 125 K C 0.448 176.970 176.600 -0.131 0.000 0.978 125 K CA -0.601 55.584 56.287 -0.171 0.000 0.883 125 K CB 1.072 33.287 32.500 -0.474 0.000 1.110 125 K HN 0.239 nan 8.250 nan 0.000 0.436 126 L N 3.887 125.085 121.223 -0.041 0.000 1.973 126 L HA -0.005 4.335 4.340 -0.001 0.000 0.208 126 L C -0.307 176.574 176.870 0.018 0.000 1.073 126 L CA 2.073 56.908 54.840 -0.008 0.000 0.746 126 L CB -0.079 41.989 42.059 0.015 0.000 0.891 126 L HN 0.917 nan 8.230 nan 0.000 0.433 127 D N -3.320 117.141 120.400 0.101 0.000 2.710 127 D HA 0.169 4.809 4.640 -0.001 0.000 0.276 127 D C -1.487 175.029 176.300 0.361 0.000 1.267 127 D CA -0.687 53.407 54.000 0.158 0.000 0.772 127 D CB -0.087 40.789 40.800 0.126 0.000 1.299 127 D HN -0.039 nan 8.370 nan 0.000 0.421 128 D N -0.699 119.923 120.400 0.370 0.000 2.363 128 D HA 0.304 4.944 4.640 -0.001 0.000 0.263 128 D C 0.637 177.114 176.300 0.295 0.000 1.258 128 D CA 0.185 54.432 54.000 0.411 0.000 0.907 128 D CB 0.623 41.602 40.800 0.298 0.000 1.107 128 D HN 0.424 nan 8.370 nan 0.000 0.495 129 T N -0.048 114.700 114.554 0.324 0.000 3.214 129 T HA 0.135 4.485 4.350 -0.001 0.000 0.264 129 T C 1.120 175.959 174.700 0.231 0.000 1.012 129 T CA -0.462 61.804 62.100 0.277 0.000 0.901 129 T CB 0.193 69.285 68.868 0.374 0.000 1.070 129 T HN 0.481 nan 8.240 nan 0.000 0.561 130 E N 1.959 122.264 120.200 0.174 0.000 2.140 130 E HA 0.002 4.351 4.350 -0.001 0.000 0.191 130 E C 0.520 177.149 176.600 0.048 0.000 0.973 130 E CA 0.966 57.423 56.400 0.095 0.000 0.829 130 E CB 0.353 29.918 29.700 -0.225 0.000 0.781 130 E HN 0.601 nan 8.360 nan 0.000 0.466 131 S N -0.160 115.562 115.700 0.036 0.000 4.066 131 S HA -0.008 4.461 4.470 -0.001 0.000 0.088 131 S C -0.487 174.112 174.600 -0.001 0.000 0.858 131 S CA -0.161 58.038 58.200 -0.001 0.000 0.838 131 S CB -1.069 62.098 63.200 -0.056 0.000 0.964 131 S HN 0.180 nan 8.310 nan 0.000 0.735 132 S N 1.793 117.530 115.700 0.061 0.000 2.673 132 S HA 0.048 4.518 4.470 -0.001 0.000 0.308 132 S C 1.276 175.924 174.600 0.081 0.000 1.246 132 S CA -0.084 58.172 58.200 0.094 0.000 1.077 132 S CB -0.167 63.105 63.200 0.121 0.000 0.814 132 S HN 0.496 nan 8.310 nan 0.000 0.503 133 H N 2.679 121.777 119.070 0.047 0.000 2.375 133 H HA -0.270 4.286 4.556 -0.001 0.000 0.289 133 H C 1.256 176.604 175.328 0.034 0.000 1.121 133 H CA 2.228 58.298 56.048 0.035 0.000 1.207 133 H CB -0.178 29.603 29.762 0.032 0.000 1.355 133 H HN 0.892 nan 8.280 nan 0.000 0.486 134 A N -1.126 121.793 122.820 0.165 0.000 4.729 134 A HA 0.651 4.971 4.320 -0.001 0.000 0.170 134 A C 0.072 177.707 177.584 0.086 0.000 0.741 134 A CA 0.179 52.278 52.037 0.103 0.000 0.936 134 A CB -0.306 18.746 19.000 0.087 0.000 1.982 134 A HN 0.373 nan 8.150 nan 0.000 0.938 135 A N -0.712 122.149 122.820 0.068 0.000 2.227 135 A HA 0.593 4.913 4.320 -0.001 0.000 0.279 135 A C 0.783 178.407 177.584 0.067 0.000 1.367 135 A CA 1.230 53.304 52.037 0.061 0.000 0.824 135 A CB -0.699 18.328 19.000 0.046 0.000 1.214 135 A HN 2.126 nan 8.150 nan 0.000 0.514 136 T N -3.319 111.269 114.554 0.057 0.000 2.696 136 T HA 0.578 4.928 4.350 -0.001 0.000 0.291 136 T C 0.049 174.773 174.700 0.040 0.000 1.095 136 T CA -0.026 62.109 62.100 0.058 0.000 1.026 136 T CB 0.222 69.133 68.868 0.072 0.000 1.390 136 T HN 1.553 nan 8.240 nan 0.000 0.513 137 S N 1.101 116.822 115.700 0.036 0.000 2.550 137 S HA 0.096 4.566 4.470 -0.001 0.000 0.285 137 S C 0.276 174.886 174.600 0.016 0.000 1.326 137 S CA -0.545 57.669 58.200 0.023 0.000 1.037 137 S CB -0.537 62.674 63.200 0.019 0.000 0.838 137 S HN 0.857 nan 8.310 nan 0.000 0.519 138 N N 0.731 119.436 118.700 0.010 0.000 2.454 138 N HA 0.028 4.767 4.740 -0.001 0.000 0.260 138 N C 0.282 175.791 175.510 -0.002 0.000 1.218 138 N CA -0.162 52.890 53.050 0.004 0.000 0.904 138 N CB 0.347 38.835 38.487 0.002 0.000 1.065 138 N HN 0.504 nan 8.380 nan 0.000 0.462 139 V N 3.032 122.943 119.914 -0.006 0.000 3.458 139 V HA -0.086 4.033 4.120 -0.001 0.000 0.318 139 V C 1.869 177.952 176.094 -0.017 0.000 1.182 139 V CA 0.675 62.966 62.300 -0.014 0.000 1.303 139 V CB -1.975 29.836 31.823 -0.020 0.000 1.073 139 V HN 0.789 nan 8.190 nan 0.000 0.418 140 S N 0.920 116.611 115.700 -0.014 0.000 2.462 140 S HA -0.266 4.204 4.470 -0.001 0.000 0.219 140 S C 1.583 176.170 174.600 -0.023 0.000 1.048 140 S CA 1.916 60.107 58.200 -0.016 0.000 1.119 140 S CB -0.074 63.118 63.200 -0.012 0.000 1.100 140 S HN 0.706 nan 8.310 nan 0.000 0.411 141 E N -0.734 119.450 120.200 -0.025 0.000 2.756 141 E HA 0.092 4.442 4.350 -0.001 0.000 0.218 141 E C -1.245 175.328 176.600 -0.045 0.000 1.042 141 E CA 0.186 56.565 56.400 -0.034 0.000 1.713 141 E CB 0.699 30.379 29.700 -0.034 0.000 2.443 141 E HN 0.409 nan 8.360 nan 0.000 1.080 142 D N 0.651 121.026 120.400 -0.042 0.000 2.358 142 D HA 0.250 4.890 4.640 -0.001 0.000 0.253 142 D C -0.478 175.806 176.300 -0.026 0.000 1.288 142 D CA -0.160 53.809 54.000 -0.051 0.000 0.950 142 D CB 1.906 42.664 40.800 -0.069 0.000 1.197 142 D HN -0.021 nan 8.370 nan 0.000 0.550 143 V N 3.712 123.611 119.914 -0.024 0.000 3.085 143 V HA 0.274 4.394 4.120 -0.001 0.000 0.345 143 V C 1.007 177.097 176.094 -0.005 0.000 1.397 143 V CA -0.397 61.896 62.300 -0.011 0.000 1.165 143 V CB -0.420 31.393 31.823 -0.016 0.000 1.153 143 V HN 0.265 nan 8.190 nan 0.000 0.495 144 R N 1.752 122.262 120.500 0.016 0.000 2.537 144 R HA 0.322 4.662 4.340 -0.001 0.000 0.280 144 R C -0.727 175.633 176.300 0.101 0.000 1.058 144 R CA 0.206 56.339 56.100 0.055 0.000 1.057 144 R CB 0.520 30.886 30.300 0.111 0.000 0.973 144 R HN 0.339 nan 8.270 nan 0.000 0.438 145 D N 0.864 121.293 120.400 0.048 0.000 2.419 145 D HA 0.081 4.721 4.640 -0.001 0.000 0.234 145 D C -0.651 175.641 176.300 -0.013 0.000 1.014 145 D CA -0.673 53.329 54.000 0.003 0.000 0.919 145 D CB 1.323 42.078 40.800 -0.075 0.000 1.366 145 D HN 0.319 nan 8.370 nan 0.000 0.490 146 N N 1.359 120.024 118.700 -0.058 0.000 2.415 146 N HA 0.201 4.941 4.740 -0.001 0.000 0.246 146 N C -0.886 174.552 175.510 -0.120 0.000 1.078 146 N CA -0.205 52.790 53.050 -0.092 0.000 0.942 146 N CB 0.395 38.810 38.487 -0.119 0.000 1.140 146 N HN 0.254 nan 8.380 nan 0.000 0.501 147 V N 1.325 121.149 119.914 -0.149 0.000 2.864 147 V HA 0.853 4.973 4.120 -0.001 0.000 0.314 147 V C 0.005 175.974 176.094 -0.207 0.000 1.073 147 V CA -0.771 61.383 62.300 -0.243 0.000 0.956 147 V CB 1.468 32.968 31.823 -0.537 0.000 1.023 147 V HN 0.645 nan 8.190 nan 0.000 0.435 148 S N 2.261 117.858 115.700 -0.171 0.000 2.715 148 S HA 0.950 5.419 4.470 -0.001 0.000 0.307 148 S C -0.601 173.919 174.600 -0.133 0.000 1.119 148 S CA -0.398 57.705 58.200 -0.161 0.000 0.937 148 S CB 1.745 64.872 63.200 -0.123 0.000 1.150 148 S HN 2.228 nan 8.310 nan 0.000 0.521 149 V N 1.108 120.919 119.914 -0.172 0.000 3.036 149 V HA 0.390 4.510 4.120 -0.001 0.000 0.288 149 V C -2.127 173.821 176.094 -0.245 0.000 1.407 149 V CA -0.789 61.436 62.300 -0.125 0.000 0.983 149 V CB 2.076 33.896 31.823 -0.005 0.000 1.128 149 V HN 1.186 nan 8.190 nan 0.000 0.439 150 D N 5.170 125.484 120.400 -0.142 0.000 2.304 150 D HA 0.259 4.899 4.640 -0.001 0.000 0.250 150 D C -0.244 176.012 176.300 -0.074 0.000 1.107 150 D CA 0.078 54.001 54.000 -0.129 0.000 0.885 150 D CB 0.738 41.531 40.800 -0.011 0.000 1.192 150 D HN 0.579 nan 8.370 nan 0.000 0.436 151 Y N 0.147 120.382 120.300 -0.108 0.000 2.289 151 Y HA 0.064 4.613 4.550 -0.001 0.000 0.332 151 Y C 1.574 177.484 175.900 0.017 0.000 1.324 151 Y CA -1.194 56.811 58.100 -0.159 0.000 1.478 151 Y CB 0.861 38.956 38.460 -0.608 0.000 1.378 151 Y HN 0.313 nan 8.280 nan 0.000 0.558 152 K N 1.862 122.381 120.400 0.198 0.000 2.485 152 K HA -0.084 4.235 4.320 -0.001 0.000 0.277 152 K C -0.501 176.249 176.600 0.249 0.000 0.990 152 K CA -0.279 56.093 56.287 0.142 0.000 0.994 152 K CB 0.470 33.017 32.500 0.079 0.000 0.906 152 K HN 0.669 nan 8.250 nan 0.000 0.488 153 Q N 2.947 122.860 119.800 0.190 0.000 2.279 153 Q HA 0.158 4.498 4.340 -0.001 0.000 0.256 153 Q C -1.288 174.803 176.000 0.152 0.000 0.937 153 Q CA -0.329 55.587 55.803 0.187 0.000 0.933 153 Q CB 1.132 29.955 28.738 0.140 0.000 1.189 153 Q HN 0.737 nan 8.270 nan 0.000 0.417 154 T N 3.764 118.411 114.554 0.154 0.000 2.900 154 T HA 0.463 4.813 4.350 -0.001 0.000 0.295 154 T C -1.048 173.721 174.700 0.115 0.000 1.044 154 T CA -0.807 61.373 62.100 0.134 0.000 0.995 154 T CB 1.703 70.669 68.868 0.164 0.000 1.072 154 T HN 0.594 nan 8.240 nan 0.000 0.473 155 Q N 1.843 121.702 119.800 0.100 0.000 2.263 155 Q HA 0.649 4.988 4.340 -0.001 0.000 0.266 155 Q C -1.493 174.584 176.000 0.128 0.000 1.002 155 Q CA -0.959 54.914 55.803 0.116 0.000 0.790 155 Q CB 2.551 31.234 28.738 -0.092 0.000 1.272 155 Q HN 0.680 nan 8.270 nan 0.000 0.435 156 L N -0.773 120.619 121.223 0.281 0.000 2.465 156 L HA 0.971 5.310 4.340 -0.001 0.000 0.257 156 L C -1.487 175.594 176.870 0.351 0.000 0.988 156 L CA -0.710 54.276 54.840 0.242 0.000 0.827 156 L CB 2.265 44.458 42.059 0.223 0.000 1.397 156 L HN 0.730 nan 8.230 nan 0.000 0.410 157 C N 3.460 122.924 119.300 0.272 0.000 2.701 157 C HA 0.863 5.322 4.460 -0.001 0.000 0.336 157 C C -1.214 173.913 174.990 0.228 0.000 1.123 157 C CA -0.371 58.831 59.018 0.308 0.000 1.326 157 C CB 0.615 28.642 27.740 0.478 0.000 1.833 157 C HN 0.884 nan 8.230 nan 0.000 0.473 158 I N 5.787 126.499 120.570 0.236 0.000 2.619 158 I HA 0.486 4.655 4.170 -0.001 0.000 0.292 158 I C -0.793 175.470 176.117 0.244 0.000 1.100 158 I CA -0.607 60.821 61.300 0.213 0.000 1.043 158 I CB 1.810 39.868 38.000 0.098 0.000 1.239 158 I HN 0.508 nan 8.210 nan 0.000 0.420 159 L N 4.279 125.690 121.223 0.315 0.000 2.342 159 L HA 0.946 5.285 4.340 -0.001 0.000 0.271 159 L C 0.107 176.836 176.870 -0.236 0.000 1.008 159 L CA -0.499 54.483 54.840 0.236 0.000 0.818 159 L CB 2.191 44.550 42.059 0.499 0.000 1.296 159 L HN 0.833 nan 8.230 nan 0.000 0.427 160 G N -0.468 108.082 108.800 -0.416 0.000 2.547 160 G HA2 0.292 4.252 3.960 -0.001 0.000 0.291 160 G HA3 0.292 4.252 3.960 -0.001 0.000 0.291 160 G C -0.525 174.205 174.900 -0.283 0.000 1.471 160 G CA -0.408 44.096 45.100 -0.993 0.000 0.798 160 G HN 0.779 nan 8.290 nan 0.000 0.504 161 C N -0.057 119.164 119.300 -0.131 0.000 2.319 161 C HA 0.778 5.238 4.460 -0.001 0.000 0.350 161 C C 0.902 176.058 174.990 0.278 0.000 1.326 161 C CA -0.103 59.049 59.018 0.223 0.000 1.737 161 C CB -2.013 25.911 27.740 0.306 0.000 1.988 161 C HN 1.633 nan 8.230 nan 0.000 0.582 162 A N 0.927 123.796 122.820 0.082 0.000 2.604 162 A HA 0.852 5.172 4.320 -0.001 0.000 0.295 162 A C -2.997 174.051 177.584 -0.893 0.000 1.067 162 A CA -1.056 50.802 52.037 -0.299 0.000 0.683 162 A CB 0.897 19.820 19.000 -0.129 0.000 1.281 162 A HN 0.197 nan 8.150 nan 0.000 0.407 163 P HA 0.327 nan 4.420 nan 0.000 0.267 163 P C 0.165 177.135 177.300 -0.550 0.000 1.200 163 P CA 0.471 62.813 63.100 -1.263 0.000 0.772 163 P CB 0.785 31.811 31.700 -1.123 0.000 0.855 164 A N 3.264 125.857 122.820 -0.378 0.000 2.386 164 A HA 0.364 4.683 4.320 -0.001 0.000 0.248 164 A C 0.196 177.634 177.584 -0.244 0.000 1.082 164 A CA -0.257 51.624 52.037 -0.260 0.000 0.789 164 A CB -0.372 18.506 19.000 -0.203 0.000 1.025 164 A HN 0.456 nan 8.150 nan 0.000 0.490 165 I N 0.912 121.346 120.570 -0.225 0.000 2.353 165 I HA 0.515 4.685 4.170 -0.001 0.000 0.293 165 I C 0.918 176.894 176.117 -0.234 0.000 0.992 165 I CA 0.630 61.809 61.300 -0.201 0.000 1.268 165 I CB 1.690 39.599 38.000 -0.152 0.000 1.387 165 I HN 0.689 nan 8.210 nan 0.000 0.478 166 G N 4.403 113.080 108.800 -0.205 0.000 2.511 166 G HA2 0.720 4.679 3.960 -0.001 0.000 0.318 166 G HA3 0.720 4.679 3.960 -0.001 0.000 0.318 166 G C -1.202 173.641 174.900 -0.094 0.000 1.210 166 G CA -0.490 44.496 45.100 -0.190 0.000 0.969 166 G HN 0.617 nan 8.290 nan 0.000 0.484 167 E N -0.542 119.638 120.200 -0.034 0.000 2.263 167 E HA 0.683 5.033 4.350 -0.001 0.000 0.264 167 E C -1.074 175.556 176.600 0.049 0.000 0.923 167 E CA -0.937 55.431 56.400 -0.053 0.000 0.802 167 E CB 2.238 31.885 29.700 -0.088 0.000 1.228 167 E HN 0.753 nan 8.360 nan 0.000 0.417 168 H N -0.216 118.722 119.070 -0.219 0.000 2.967 168 H HA 0.260 4.815 4.556 -0.001 0.000 0.318 168 H C -1.924 173.162 175.328 -0.404 0.000 1.375 168 H CA -1.188 54.741 56.048 -0.199 0.000 1.132 168 H CB 0.182 29.923 29.762 -0.035 0.000 1.848 168 H HN 0.629 nan 8.280 nan 0.000 0.524 169 W N 1.076 122.344 121.300 -0.052 0.000 2.390 169 W HA 0.710 5.369 4.660 -0.001 0.000 0.312 169 W C -0.068 176.395 176.519 -0.094 0.000 1.123 169 W CA -0.116 57.153 57.345 -0.127 0.000 1.202 169 W CB 1.744 31.162 29.460 -0.071 0.000 1.251 169 W HN 0.827 nan 8.180 nan 0.000 0.511 170 A N 2.839 125.661 122.820 0.003 0.000 2.430 170 A HA 0.580 4.900 4.320 -0.001 0.000 0.300 170 A C -0.871 176.748 177.584 0.057 0.000 1.124 170 A CA -1.178 50.889 52.037 0.049 0.000 0.766 170 A CB 1.368 20.384 19.000 0.027 0.000 1.328 170 A HN 0.545 nan 8.150 nan 0.000 0.424 171 K N 1.201 121.631 120.400 0.049 0.000 2.395 171 K HA 0.235 4.554 4.320 -0.001 0.000 0.283 171 K C 0.670 177.286 176.600 0.026 0.000 1.068 171 K CA 0.380 56.688 56.287 0.036 0.000 1.039 171 K CB -0.175 32.340 32.500 0.025 0.000 0.924 171 K HN 0.868 nan 8.250 nan 0.000 0.468 172 G N 3.109 111.927 108.800 0.031 0.000 2.559 172 G HA2 -0.046 3.913 3.960 -0.001 0.000 0.235 172 G HA3 -0.046 3.913 3.960 -0.001 0.000 0.235 172 G C -0.387 174.520 174.900 0.011 0.000 1.266 172 G CA -0.504 44.608 45.100 0.019 0.000 0.847 172 G HN 0.678 nan 8.290 nan 0.000 0.583 173 T N 1.150 115.706 114.554 0.004 0.000 2.831 173 T HA 0.341 4.691 4.350 -0.001 0.000 0.291 173 T C 0.912 175.614 174.700 0.003 0.000 0.981 173 T CA 0.369 62.470 62.100 0.002 0.000 1.174 173 T CB 0.665 69.532 68.868 -0.002 0.000 0.929 173 T HN 0.903 nan 8.240 nan 0.000 0.532 174 A N 4.540 127.362 122.820 0.003 0.000 2.537 174 A HA 0.403 4.723 4.320 -0.001 0.000 0.260 174 A C 1.046 178.630 177.584 0.001 0.000 1.082 174 A CA -0.621 51.418 52.037 0.002 0.000 0.765 174 A CB -0.288 18.713 19.000 0.002 0.000 1.019 174 A HN 0.980 nan 8.150 nan 0.000 0.507 175 S N 2.456 118.157 115.700 0.001 0.000 2.579 175 S HA 0.201 4.671 4.470 -0.001 0.000 0.275 175 S C 0.860 175.460 174.600 -0.000 0.000 1.345 175 S CA 0.136 58.336 58.200 0.001 0.000 1.031 175 S CB 0.907 64.107 63.200 0.001 0.000 0.892 175 S HN 0.757 nan 8.310 nan 0.000 0.529 176 K N 1.351 121.750 120.400 -0.001 0.000 2.211 176 K HA -0.014 4.306 4.320 -0.001 0.000 0.201 176 K C 2.294 178.894 176.600 -0.001 0.000 1.052 176 K CA 0.915 57.201 56.287 -0.001 0.000 0.973 176 K CB -0.648 31.851 32.500 -0.002 0.000 0.766 176 K HN 0.698 nan 8.250 nan 0.000 0.466 177 S N 1.304 117.004 115.700 -0.001 0.000 2.368 177 S HA -0.168 4.302 4.470 -0.001 0.000 0.226 177 S C 1.416 176.016 174.600 -0.001 0.000 1.044 177 S CA 0.846 59.046 58.200 -0.001 0.000 1.062 177 S CB -0.281 62.918 63.200 -0.001 0.000 0.931 177 S HN 0.164 nan 8.310 nan 0.000 0.440 178 R N 2.654 123.153 120.500 -0.001 0.000 2.477 178 R HA 0.457 4.797 4.340 -0.001 0.000 0.285 178 R C -2.884 173.416 176.300 -0.001 0.000 1.415 178 R CA -2.482 53.618 56.100 -0.001 0.000 1.446 178 R CB 0.695 30.995 30.300 -0.000 0.000 1.110 178 R HN 0.422 nan 8.270 nan 0.000 0.590 179 P HA 0.003 nan 4.420 nan 0.000 0.270 179 P C -0.507 176.792 177.300 -0.002 0.000 1.227 179 P CA -0.512 62.587 63.100 -0.002 0.000 0.788 179 P CB 1.014 32.713 31.700 -0.002 0.000 0.926 180 L N 1.532 122.754 121.223 -0.002 0.000 2.298 180 L HA 0.273 4.612 4.340 -0.001 0.000 0.284 180 L C 0.206 177.073 176.870 -0.004 0.000 1.013 180 L CA -0.243 54.595 54.840 -0.003 0.000 0.824 180 L CB 0.867 42.925 42.059 -0.002 0.000 1.221 180 L HN 0.437 nan 8.230 nan 0.000 0.418 181 S N 2.855 118.552 115.700 -0.005 0.000 2.572 181 S HA 0.267 4.737 4.470 -0.001 0.000 0.279 181 S C 0.028 174.624 174.600 -0.006 0.000 1.341 181 S CA -0.551 57.645 58.200 -0.005 0.000 1.043 181 S CB 0.743 63.939 63.200 -0.006 0.000 0.887 181 S HN 0.676 nan 8.310 nan 0.000 0.516 182 Q N 1.189 120.985 119.800 -0.007 0.000 2.300 182 Q HA 0.434 4.774 4.340 -0.001 0.000 0.280 182 Q C 1.278 177.272 176.000 -0.010 0.000 1.033 182 Q CA 1.504 57.302 55.803 -0.008 0.000 0.903 182 Q CB 0.052 28.785 28.738 -0.008 0.000 1.195 182 Q HN 1.330 nan 8.270 nan 0.000 0.386 183 G N 3.191 111.985 108.800 -0.011 0.000 2.279 183 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.223 183 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.223 183 G C -0.264 174.628 174.900 -0.014 0.000 1.015 183 G CA -0.049 45.043 45.100 -0.013 0.000 0.621 183 G HN 0.657 nan 8.290 nan 0.000 0.506 184 D N 0.231 120.624 120.400 -0.012 0.000 2.368 184 D HA 0.442 5.082 4.640 -0.001 0.000 0.240 184 D C 0.791 177.084 176.300 -0.013 0.000 1.169 184 D CA 0.182 54.175 54.000 -0.012 0.000 0.906 184 D CB 1.082 41.877 40.800 -0.009 0.000 1.187 184 D HN 0.451 nan 8.370 nan 0.000 0.435 185 C N 3.527 122.818 119.300 -0.015 0.000 2.499 185 C HA 0.411 4.871 4.460 -0.001 0.000 0.386 185 C C -1.893 173.089 174.990 -0.013 0.000 1.293 185 C CA -1.360 57.647 59.018 -0.017 0.000 1.884 185 C CB -0.607 27.119 27.740 -0.023 0.000 2.509 185 C HN 0.466 nan 8.230 nan 0.000 0.566 186 P HA 0.367 nan 4.420 nan 0.000 0.274 186 P C -2.783 174.517 177.300 -0.001 0.000 1.256 186 P CA -0.933 62.165 63.100 -0.003 0.000 0.795 186 P CB 0.105 31.806 31.700 0.002 0.000 1.038 187 P HA 0.253 nan 4.420 nan 0.000 0.290 187 P C -0.632 176.694 177.300 0.043 0.000 1.276 187 P CA -0.310 62.800 63.100 0.017 0.000 0.808 187 P CB 0.735 32.447 31.700 0.019 0.000 0.966 188 L N 2.156 123.417 121.223 0.064 0.000 2.375 188 L HA 0.459 4.799 4.340 -0.001 0.000 0.271 188 L C 0.773 177.803 176.870 0.266 0.000 1.107 188 L CA 0.088 55.029 54.840 0.167 0.000 0.806 188 L CB 0.221 42.375 42.059 0.158 0.000 1.146 188 L HN 0.565 nan 8.230 nan 0.000 0.447 189 E N 1.943 122.294 120.200 0.253 0.000 2.275 189 E HA 0.294 4.644 4.350 -0.001 0.000 0.270 189 E C -1.572 174.925 176.600 -0.171 0.000 0.882 189 E CA -0.907 55.553 56.400 0.099 0.000 0.758 189 E CB 2.665 32.369 29.700 0.006 0.000 1.195 189 E HN 0.369 nan 8.360 nan 0.000 0.419 190 L N 4.452 125.413 121.223 -0.438 0.000 2.315 190 L HA 0.339 4.679 4.340 -0.001 0.000 0.283 190 L C -0.770 175.777 176.870 -0.539 0.000 1.089 190 L CA 0.354 54.653 54.840 -0.903 0.000 0.833 190 L CB 0.285 41.739 42.059 -1.009 0.000 1.170 190 L HN 0.383 nan 8.230 nan 0.000 0.442 191 K N 3.936 123.974 120.400 -0.602 0.000 2.207 191 K HA 0.425 4.745 4.320 -0.001 0.000 0.255 191 K C -0.838 175.562 176.600 -0.334 0.000 0.941 191 K CA -0.965 55.065 56.287 -0.429 0.000 0.825 191 K CB 1.370 33.594 32.500 -0.461 0.000 1.119 191 K HN 0.553 nan 8.250 nan 0.000 0.430 192 N N 1.103 119.689 118.700 -0.191 0.000 2.430 192 N HA 0.303 5.042 4.740 -0.001 0.000 0.292 192 N C -0.782 174.686 175.510 -0.069 0.000 1.051 192 N CA 0.011 52.989 53.050 -0.120 0.000 0.917 192 N CB 1.930 40.354 38.487 -0.105 0.000 1.164 192 N HN 0.574 nan 8.380 nan 0.000 0.484 193 T N -0.528 113.994 114.554 -0.054 0.000 2.885 193 T HA 0.320 4.669 4.350 -0.001 0.000 0.322 193 T C -1.052 173.593 174.700 -0.090 0.000 1.387 193 T CA -0.594 61.480 62.100 -0.043 0.000 1.041 193 T CB 0.684 69.562 68.868 0.016 0.000 1.287 193 T HN 0.024 nan 8.240 nan 0.000 0.491 194 V N 4.538 124.396 119.914 -0.092 0.000 2.585 194 V HA 0.275 4.395 4.120 -0.001 0.000 0.296 194 V C 0.538 176.535 176.094 -0.161 0.000 1.035 194 V CA -0.224 62.002 62.300 -0.123 0.000 1.084 194 V CB 0.574 32.346 31.823 -0.085 0.000 0.953 194 V HN 0.726 nan 8.190 nan 0.000 0.483 195 L N 6.098 127.195 121.223 -0.209 0.000 2.325 195 L HA 0.321 4.661 4.340 -0.001 0.000 0.284 195 L C 0.449 177.232 176.870 -0.145 0.000 1.089 195 L CA 0.188 54.851 54.840 -0.295 0.000 0.836 195 L CB 0.184 41.966 42.059 -0.461 0.000 1.184 195 L HN 0.702 nan 8.230 nan 0.000 0.444 196 E N 1.709 121.820 120.200 -0.148 0.000 2.214 196 E HA 0.158 4.507 4.350 -0.001 0.000 0.274 196 E C -0.834 175.750 176.600 -0.027 0.000 0.977 196 E CA -0.957 55.374 56.400 -0.116 0.000 0.827 196 E CB 1.501 31.042 29.700 -0.266 0.000 1.130 196 E HN 0.391 nan 8.360 nan 0.000 0.394 197 D N 0.730 121.160 120.400 0.050 0.000 2.570 197 D HA 0.074 4.713 4.640 -0.001 0.000 0.243 197 D C 0.825 177.146 176.300 0.035 0.000 1.171 197 D CA 2.021 56.057 54.000 0.059 0.000 0.879 197 D CB 0.030 40.880 40.800 0.083 0.000 1.143 197 D HN 0.627 nan 8.370 nan 0.000 0.511 198 G N 3.440 112.289 108.800 0.083 0.000 2.380 198 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.197 198 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.197 198 G C -0.008 174.963 174.900 0.118 0.000 1.001 198 G CA -0.149 45.002 45.100 0.084 0.000 0.668 198 G HN 0.595 nan 8.290 nan 0.000 0.483 199 D N 1.966 122.437 120.400 0.119 0.000 2.382 199 D HA 0.422 5.061 4.640 -0.001 0.000 0.240 199 D C 1.119 177.611 176.300 0.319 0.000 1.146 199 D CA 0.252 54.333 54.000 0.134 0.000 0.897 199 D CB 0.517 41.319 40.800 0.004 0.000 1.197 199 D HN 0.055 nan 8.370 nan 0.000 0.432 200 M N 1.039 120.792 119.600 0.256 0.000 2.255 200 M HA 0.177 4.656 4.480 -0.001 0.000 0.336 200 M C 0.280 176.817 176.300 0.395 0.000 1.135 200 M CA -0.777 54.690 55.300 0.278 0.000 1.145 200 M CB 0.872 33.581 32.600 0.182 0.000 1.473 200 M HN 0.147 nan 8.290 nan 0.000 0.462 201 V N -1.046 119.030 119.914 0.271 0.000 3.234 201 V HA 0.454 4.574 4.120 -0.001 0.000 0.317 201 V C 0.006 176.233 176.094 0.222 0.000 1.081 201 V CA -1.187 61.261 62.300 0.248 0.000 1.037 201 V CB 0.959 32.781 31.823 -0.002 0.000 1.148 201 V HN 0.796 nan 8.190 nan 0.000 0.453 202 D N 1.403 121.956 120.400 0.254 0.000 2.434 202 D HA 0.090 4.730 4.640 -0.001 0.000 0.252 202 D C 1.213 177.551 176.300 0.064 0.000 1.185 202 D CA 0.848 54.955 54.000 0.177 0.000 0.886 202 D CB 1.231 42.117 40.800 0.142 0.000 1.148 202 D HN 0.959 nan 8.370 nan 0.000 0.483 203 T N 0.686 115.191 114.554 -0.083 0.000 3.086 203 T HA 0.370 4.719 4.350 -0.001 0.000 0.250 203 T C 1.309 175.914 174.700 -0.158 0.000 1.074 203 T CA 0.222 62.111 62.100 -0.351 0.000 0.988 203 T CB 0.174 68.226 68.868 -1.360 0.000 0.988 203 T HN 0.635 nan 8.240 nan 0.000 0.530 204 G N 0.476 109.258 108.800 -0.029 0.000 2.205 204 G HA2 -0.172 3.788 3.960 -0.001 0.000 0.180 204 G HA3 -0.172 3.788 3.960 -0.001 0.000 0.180 204 G C 0.103 174.914 174.900 -0.147 0.000 1.004 204 G CA -0.192 44.858 45.100 -0.084 0.000 0.670 204 G HN 0.509 nan 8.290 nan 0.000 0.496 205 Y N 1.190 121.520 120.300 0.050 0.000 2.660 205 Y HA 0.487 5.037 4.550 -0.001 0.000 0.254 205 Y C 1.484 177.563 175.900 0.297 0.000 1.176 205 Y CA 0.383 58.591 58.100 0.180 0.000 1.195 205 Y CB 0.908 39.472 38.460 0.174 0.000 1.190 205 Y HN 1.082 nan 8.280 nan 0.000 0.535 206 G N 0.917 109.898 108.800 0.302 0.000 2.758 206 G HA2 0.058 4.018 3.960 -0.001 0.000 0.686 206 G HA3 0.058 4.018 3.960 -0.001 0.000 0.686 206 G C -0.483 174.603 174.900 0.310 0.000 1.389 206 G CA -0.676 44.566 45.100 0.236 0.000 0.845 206 G HN 0.587 nan 8.290 nan 0.000 0.572 207 A N 1.352 124.334 122.820 0.270 0.000 2.506 207 A HA 0.767 5.087 4.320 -0.001 0.000 0.320 207 A C 0.643 178.413 177.584 0.309 0.000 1.424 207 A CA 0.985 53.211 52.037 0.315 0.000 1.044 207 A CB -0.647 18.546 19.000 0.322 0.000 1.140 207 A HN 1.935 nan 8.150 nan 0.000 0.538 208 M N -0.047 119.637 119.600 0.141 0.000 3.213 208 M HA 0.556 5.036 4.480 -0.001 0.000 0.278 208 M C -1.568 174.653 176.300 -0.131 0.000 1.332 208 M CA -0.900 54.405 55.300 0.008 0.000 0.810 208 M CB 1.361 33.787 32.600 -0.290 0.000 1.676 208 M HN 0.212 nan 8.290 nan 0.000 0.463 209 D N 0.653 121.011 120.400 -0.070 0.000 2.499 209 D HA 0.370 5.009 4.640 -0.001 0.000 0.225 209 D C -0.149 176.090 176.300 -0.101 0.000 1.124 209 D CA -0.367 53.620 54.000 -0.020 0.000 0.938 209 D CB 0.049 40.914 40.800 0.109 0.000 1.014 209 D HN 0.531 nan 8.370 nan 0.000 0.517 210 F N 1.187 121.171 119.950 0.057 0.000 2.333 210 F HA -0.162 4.365 4.527 -0.001 0.000 0.300 210 F C 2.686 178.502 175.800 0.025 0.000 1.083 210 F CA 0.901 58.921 58.000 0.033 0.000 1.395 210 F CB -0.405 38.599 39.000 0.007 0.000 1.056 210 F HN 0.341 nan 8.300 nan 0.000 0.529 211 S N -0.829 114.985 115.700 0.190 0.000 2.368 211 S HA -0.185 4.285 4.470 -0.001 0.000 0.224 211 S C 2.018 176.661 174.600 0.073 0.000 1.029 211 S CA 1.466 59.734 58.200 0.114 0.000 0.988 211 S CB -1.269 61.985 63.200 0.089 0.000 0.838 211 S HN 0.478 nan 8.310 nan 0.000 0.462 212 T N -1.739 112.849 114.554 0.058 0.000 3.065 212 T HA 0.305 4.655 4.350 -0.001 0.000 0.252 212 T C 1.307 176.019 174.700 0.020 0.000 1.099 212 T CA 0.056 62.178 62.100 0.037 0.000 1.063 212 T CB -0.087 68.805 68.868 0.040 0.000 0.948 212 T HN 0.223 nan 8.240 nan 0.000 0.506 213 L N 0.330 121.556 121.223 0.005 0.000 2.609 213 L HA 0.484 4.824 4.340 -0.001 0.000 0.230 213 L C 0.293 177.161 176.870 -0.004 0.000 1.087 213 L CA 0.556 55.386 54.840 -0.017 0.000 0.874 213 L CB 0.203 42.222 42.059 -0.066 0.000 1.114 213 L HN 0.363 nan 8.230 nan 0.000 0.488 214 Q N -0.677 119.140 119.800 0.028 0.000 2.347 214 Q HA 0.207 4.547 4.340 -0.001 0.000 0.265 214 Q C -0.287 175.731 176.000 0.031 0.000 1.024 214 Q CA -0.374 55.450 55.803 0.034 0.000 0.731 214 Q CB 1.476 30.260 28.738 0.077 0.000 1.245 214 Q HN -0.060 nan 8.270 nan 0.000 0.472 215 D N 0.696 121.101 120.400 0.008 0.000 2.264 215 D HA -0.111 4.528 4.640 -0.001 0.000 0.208 215 D C 1.283 177.581 176.300 -0.004 0.000 0.966 215 D CA 1.221 55.224 54.000 0.004 0.000 0.864 215 D CB 0.277 41.073 40.800 -0.007 0.000 0.933 215 D HN 0.448 nan 8.370 nan 0.000 0.499 216 T N 0.576 115.118 114.554 -0.019 0.000 2.684 216 T HA -0.169 4.181 4.350 -0.001 0.000 0.267 216 T C 0.960 175.644 174.700 -0.026 0.000 1.036 216 T CA 1.517 63.592 62.100 -0.042 0.000 1.148 216 T CB -0.068 68.753 68.868 -0.078 0.000 0.863 216 T HN 0.227 nan 8.240 nan 0.000 0.436 217 K N -1.448 118.947 120.400 -0.008 0.000 3.391 217 K HA -0.142 4.178 4.320 -0.001 0.000 0.307 217 K C 0.033 176.632 176.600 -0.002 0.000 1.304 217 K CA 0.538 56.850 56.287 0.042 0.000 0.904 217 K CB -2.459 30.094 32.500 0.088 0.000 1.293 217 K HN 0.425 nan 8.250 nan 0.000 0.470 218 C N 0.406 119.587 119.300 -0.197 0.000 3.359 218 C HA 0.170 4.630 4.460 -0.001 0.000 0.258 218 C C 1.515 176.179 174.990 -0.543 0.000 1.840 218 C CA -0.709 57.972 59.018 -0.561 0.000 1.746 218 C CB 0.068 27.554 27.740 -0.424 0.000 3.306 218 C HN 0.299 nan 8.230 nan 0.000 0.485 219 E N 1.535 121.519 120.200 -0.361 0.000 2.230 219 E HA 0.042 4.391 4.350 -0.001 0.000 0.192 219 E C 0.924 177.227 176.600 -0.495 0.000 0.987 219 E CA 1.016 57.186 56.400 -0.383 0.000 0.841 219 E CB 0.251 29.881 29.700 -0.116 0.000 0.783 219 E HN 0.646 nan 8.360 nan 0.000 0.481 220 V N -2.950 116.728 119.914 -0.392 0.000 3.181 220 V HA 0.545 4.665 4.120 -0.001 0.000 0.308 220 V C -2.944 173.075 176.094 -0.125 0.000 1.214 220 V CA -3.071 58.982 62.300 -0.412 0.000 1.053 220 V CB 1.663 32.994 31.823 -0.821 0.000 1.069 220 V HN -0.292 nan 8.190 nan 0.000 0.441 221 P HA 0.175 nan 4.420 nan 0.000 0.266 221 P C 0.871 178.168 177.300 -0.005 0.000 1.195 221 P CA -0.072 63.046 63.100 0.030 0.000 0.768 221 P CB 0.406 32.097 31.700 -0.015 0.000 0.838 222 L N 3.043 124.248 121.223 -0.030 0.000 2.149 222 L HA -0.272 4.067 4.340 -0.001 0.000 0.223 222 L C 1.668 178.558 176.870 0.032 0.000 1.089 222 L CA 2.280 57.093 54.840 -0.043 0.000 0.800 222 L CB -1.374 40.620 42.059 -0.108 0.000 0.897 222 L HN 0.522 nan 8.230 nan 0.000 0.443 223 D N -1.748 118.652 120.400 0.001 0.000 2.363 223 D HA -0.094 4.545 4.640 -0.001 0.000 0.226 223 D C 1.616 177.955 176.300 0.065 0.000 1.020 223 D CA 1.102 55.164 54.000 0.102 0.000 0.892 223 D CB -0.326 40.581 40.800 0.177 0.000 0.900 223 D HN 0.627 nan 8.370 nan 0.000 0.531 224 I N -3.563 116.981 120.570 -0.044 0.000 4.655 224 I HA 0.244 4.413 4.170 -0.001 0.000 0.333 224 I C 1.994 178.009 176.117 -0.171 0.000 1.312 224 I CA -0.634 60.584 61.300 -0.136 0.000 1.270 224 I CB 0.018 37.792 38.000 -0.377 0.000 1.318 224 I HN 0.003 nan 8.210 nan 0.000 0.456 225 C N 1.794 121.020 119.300 -0.123 0.000 2.392 225 C HA -0.186 4.274 4.460 -0.001 0.000 0.276 225 C C 1.974 177.008 174.990 0.073 0.000 1.212 225 C CA 1.703 60.695 59.018 -0.043 0.000 1.791 225 C CB -0.809 26.976 27.740 0.074 0.000 2.063 225 C HN 0.670 nan 8.230 nan 0.000 0.481 226 Q N 0.596 120.449 119.800 0.088 0.000 2.155 226 Q HA 0.332 4.672 4.340 -0.001 0.000 0.273 226 Q C -0.006 176.062 176.000 0.114 0.000 0.857 226 Q CA 0.092 55.961 55.803 0.109 0.000 1.116 226 Q CB 1.080 29.869 28.738 0.084 0.000 1.209 226 Q HN 0.781 nan 8.270 nan 0.000 0.460 227 S N -0.582 115.203 115.700 0.143 0.000 2.841 227 S HA 0.667 5.137 4.470 -0.001 0.000 0.318 227 S C -0.064 174.652 174.600 0.193 0.000 1.127 227 S CA -0.669 57.610 58.200 0.133 0.000 0.883 227 S CB 1.597 64.861 63.200 0.106 0.000 1.271 227 S HN 0.169 nan 8.310 nan 0.000 0.567 228 I N 0.969 121.604 120.570 0.109 0.000 2.418 228 I HA 0.334 4.503 4.170 -0.001 0.000 0.287 228 I C -1.139 175.031 176.117 0.089 0.000 1.008 228 I CA -0.461 60.859 61.300 0.033 0.000 1.104 228 I CB 1.289 39.160 38.000 -0.214 0.000 1.264 228 I HN 0.530 nan 8.210 nan 0.000 0.438 229 C N 6.513 125.952 119.300 0.231 0.000 2.265 229 C HA 0.402 4.861 4.460 -0.001 0.000 0.332 229 C C 0.495 175.628 174.990 0.240 0.000 1.248 229 C CA -0.854 58.332 59.018 0.279 0.000 1.727 229 C CB -0.380 27.599 27.740 0.398 0.000 2.348 229 C HN 0.672 nan 8.230 nan 0.000 0.519 230 K N 1.722 122.268 120.400 0.243 0.000 2.168 230 K HA 0.607 4.927 4.320 -0.001 0.000 0.239 230 K C -1.253 175.598 176.600 0.418 0.000 0.999 230 K CA -0.599 55.822 56.287 0.223 0.000 0.900 230 K CB 1.647 34.143 32.500 -0.007 0.000 1.111 230 K HN 0.625 nan 8.250 nan 0.000 0.452 231 Y N 0.863 121.271 120.300 0.181 0.000 2.401 231 Y HA 0.262 4.811 4.550 -0.001 0.000 0.330 231 Y C -2.792 173.149 175.900 0.067 0.000 1.071 231 Y CA -2.607 55.625 58.100 0.219 0.000 1.049 231 Y CB 1.721 40.304 38.460 0.206 0.000 1.239 231 Y HN 0.383 nan 8.280 nan 0.000 0.437 232 P HA -0.025 nan 4.420 nan 0.000 0.262 232 P C -0.477 176.376 177.300 -0.744 0.000 1.182 232 P CA 0.497 63.156 63.100 -0.736 0.000 0.761 232 P CB 0.543 31.481 31.700 -1.271 0.000 0.795 233 D N 2.769 122.904 120.400 -0.441 0.000 2.713 233 D HA 0.021 4.661 4.640 -0.001 0.000 0.229 233 D C 0.698 176.881 176.300 -0.196 0.000 1.136 233 D CA -0.178 53.694 54.000 -0.214 0.000 1.010 233 D CB -0.575 40.147 40.800 -0.130 0.000 1.084 233 D HN 0.295 nan 8.370 nan 0.000 0.495 234 Y N 0.453 120.696 120.300 -0.096 0.000 2.139 234 Y HA -0.275 4.274 4.550 -0.001 0.000 0.282 234 Y C 2.301 178.187 175.900 -0.024 0.000 1.179 234 Y CA 0.989 59.051 58.100 -0.063 0.000 1.161 234 Y CB -0.185 38.240 38.460 -0.058 0.000 0.970 234 Y HN 0.277 nan 8.280 nan 0.000 0.511 235 L N -0.408 120.914 121.223 0.166 0.000 2.017 235 L HA -0.272 4.068 4.340 -0.001 0.000 0.208 235 L C 2.651 179.552 176.870 0.053 0.000 1.073 235 L CA 1.834 56.734 54.840 0.101 0.000 0.745 235 L CB -0.628 41.486 42.059 0.092 0.000 0.894 235 L HN 0.254 nan 8.230 nan 0.000 0.432 236 Q N 0.157 119.970 119.800 0.022 0.000 2.124 236 Q HA -0.198 4.141 4.340 -0.001 0.000 0.202 236 Q C 2.078 178.075 176.000 -0.005 0.000 0.977 236 Q CA 1.807 57.608 55.803 -0.004 0.000 0.850 236 Q CB -0.216 28.502 28.738 -0.034 0.000 0.901 236 Q HN 0.425 nan 8.270 nan 0.000 0.429 237 M N -0.503 119.088 119.600 -0.015 0.000 2.288 237 M HA -0.029 4.451 4.480 -0.001 0.000 0.266 237 M C 2.154 178.469 176.300 0.024 0.000 1.072 237 M CA 1.137 56.431 55.300 -0.011 0.000 1.132 237 M CB 0.059 32.629 32.600 -0.050 0.000 1.386 237 M HN 0.168 nan 8.290 nan 0.000 0.432 238 S N 0.772 116.498 115.700 0.044 0.000 2.383 238 S HA -0.123 4.347 4.470 -0.001 0.000 0.229 238 S C 2.004 176.622 174.600 0.030 0.000 1.030 238 S CA 1.440 59.666 58.200 0.043 0.000 1.002 238 S CB -0.269 62.960 63.200 0.048 0.000 0.829 238 S HN 0.566 nan 8.310 nan 0.000 0.467 239 A N 1.109 123.946 122.820 0.029 0.000 1.930 239 A HA 0.048 4.367 4.320 -0.001 0.000 0.215 239 A C 0.864 178.465 177.584 0.029 0.000 1.176 239 A CA 0.389 52.441 52.037 0.025 0.000 0.632 239 A CB -0.634 18.379 19.000 0.022 0.000 0.819 239 A HN 0.474 nan 8.150 nan 0.000 0.445 240 D N 0.616 121.037 120.400 0.035 0.000 2.923 240 D HA -0.063 4.577 4.640 -0.001 0.000 0.220 240 D C -0.804 175.537 176.300 0.069 0.000 1.099 240 D CA -0.023 54.011 54.000 0.055 0.000 0.807 240 D CB 0.779 41.620 40.800 0.068 0.000 1.155 240 D HN 0.202 nan 8.370 nan 0.000 0.524 241 P HA -0.220 nan 4.420 nan 0.000 0.215 241 P C 0.853 178.163 177.300 0.016 0.000 1.157 241 P CA 1.543 64.619 63.100 -0.041 0.000 0.868 241 P CB -0.076 31.482 31.700 -0.235 0.000 0.788 242 Y N -0.337 120.088 120.300 0.208 0.000 2.314 242 Y HA 0.230 4.780 4.550 -0.001 0.000 0.294 242 Y C 1.928 178.004 175.900 0.294 0.000 1.119 242 Y CA 0.977 59.237 58.100 0.267 0.000 1.179 242 Y CB -0.738 37.835 38.460 0.188 0.000 1.025 242 Y HN 0.059 nan 8.280 nan 0.000 0.541 243 G N 0.583 109.580 108.800 0.329 0.000 2.212 243 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.255 243 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.255 243 G C 0.201 175.249 174.900 0.247 0.000 1.062 243 G CA 0.487 45.734 45.100 0.245 0.000 0.815 243 G HN 0.354 nan 8.290 nan 0.000 0.497 244 D N -0.229 120.300 120.400 0.215 0.000 2.346 244 D HA 0.125 4.765 4.640 -0.001 0.000 0.206 244 D C 2.390 178.660 176.300 -0.050 0.000 1.001 244 D CA 0.955 55.051 54.000 0.159 0.000 0.871 244 D CB 0.124 41.058 40.800 0.224 0.000 0.943 244 D HN 0.371 nan 8.370 nan 0.000 0.518 245 S N 0.388 116.066 115.700 -0.037 0.000 2.355 245 S HA -0.065 4.405 4.470 -0.001 0.000 0.222 245 S C 1.051 175.529 174.600 -0.203 0.000 1.031 245 S CA 0.871 58.998 58.200 -0.123 0.000 0.993 245 S CB -0.050 63.105 63.200 -0.076 0.000 0.859 245 S HN 0.396 nan 8.310 nan 0.000 0.453 246 M N -0.328 119.174 119.600 -0.163 0.000 2.265 246 M HA 0.466 4.946 4.480 -0.001 0.000 0.262 246 M C -1.162 175.135 176.300 -0.004 0.000 1.026 246 M CA -0.709 54.492 55.300 -0.165 0.000 0.987 246 M CB 1.108 33.684 32.600 -0.040 0.000 1.937 246 M HN 0.020 nan 8.290 nan 0.000 0.481 247 F N 1.117 121.170 119.950 0.172 0.000 2.708 247 F HA 0.730 5.257 4.527 -0.001 0.000 0.300 247 F C -1.038 174.932 175.800 0.283 0.000 1.118 247 F CA -1.669 56.438 58.000 0.180 0.000 1.307 247 F CB -0.248 38.847 39.000 0.158 0.000 0.986 247 F HN 0.536 nan 8.300 nan 0.000 0.522 248 F N 1.440 121.584 119.950 0.324 0.000 2.683 248 F HA 0.481 5.008 4.527 -0.001 0.000 0.333 248 F C -1.900 173.974 175.800 0.122 0.000 1.160 248 F CA -1.569 56.561 58.000 0.216 0.000 1.099 248 F CB 0.693 39.857 39.000 0.272 0.000 1.344 248 F HN 0.135 nan 8.300 nan 0.000 0.534 249 C N 7.998 127.006 119.300 -0.487 0.000 2.551 249 C HA 0.895 5.354 4.460 -0.001 0.000 0.332 249 C C -2.235 172.470 174.990 -0.475 0.000 1.139 249 C CA -0.548 58.305 59.018 -0.275 0.000 1.328 249 C CB 0.498 28.216 27.740 -0.036 0.000 1.903 249 C HN 0.791 nan 8.230 nan 0.000 0.459 250 L N 6.514 127.536 121.223 -0.334 0.000 2.439 250 L HA 0.734 5.074 4.340 -0.001 0.000 0.270 250 L C -0.116 176.670 176.870 -0.140 0.000 0.972 250 L CA -0.045 54.602 54.840 -0.322 0.000 0.836 250 L CB 1.739 43.539 42.059 -0.432 0.000 1.255 250 L HN 0.894 nan 8.230 nan 0.000 0.404 251 R N 2.606 123.018 120.500 -0.146 0.000 2.854 251 R HA 0.957 5.296 4.340 -0.001 0.000 0.271 251 R C -0.854 175.400 176.300 -0.078 0.000 0.994 251 R CA -1.135 54.920 56.100 -0.075 0.000 0.945 251 R CB 2.291 32.533 30.300 -0.097 0.000 1.194 251 R HN 0.452 nan 8.270 nan 0.000 0.476 252 R N 1.212 121.697 120.500 -0.025 0.000 2.879 252 R HA 0.122 4.462 4.340 -0.001 0.000 0.291 252 R C -1.624 174.691 176.300 0.025 0.000 1.246 252 R CA -0.282 55.803 56.100 -0.025 0.000 1.083 252 R CB 1.271 31.530 30.300 -0.067 0.000 1.274 252 R HN 0.989 nan 8.270 nan 0.000 0.393 253 E N 3.942 124.170 120.200 0.046 0.000 2.369 253 E HA 0.468 4.818 4.350 -0.001 0.000 0.270 253 E C -1.480 175.158 176.600 0.062 0.000 0.909 253 E CA -1.086 55.361 56.400 0.078 0.000 0.775 253 E CB 2.731 32.502 29.700 0.119 0.000 1.270 253 E HN 0.580 nan 8.360 nan 0.000 0.445 254 Q N 1.046 120.892 119.800 0.075 0.000 2.574 254 Q HA 0.482 4.822 4.340 -0.001 0.000 0.265 254 Q C -1.551 174.506 176.000 0.094 0.000 0.975 254 Q CA -1.079 54.769 55.803 0.076 0.000 0.923 254 Q CB 1.391 30.172 28.738 0.071 0.000 1.518 254 Q HN 0.586 nan 8.270 nan 0.000 0.401 255 L N -1.103 120.181 121.223 0.101 0.000 3.041 255 L HA 0.893 5.232 4.340 -0.001 0.000 0.278 255 L C -1.539 175.428 176.870 0.162 0.000 1.051 255 L CA -1.022 53.875 54.840 0.095 0.000 0.957 255 L CB 0.416 42.480 42.059 0.007 0.000 1.538 255 L HN 1.029 nan 8.230 nan 0.000 0.393 256 F N -1.301 118.647 119.950 -0.003 0.000 2.719 256 F HA 0.903 5.429 4.527 -0.001 0.000 0.309 256 F C -0.785 175.007 175.800 -0.014 0.000 1.138 256 F CA -0.769 57.224 58.000 -0.011 0.000 0.943 256 F CB 1.124 40.114 39.000 -0.016 0.000 1.304 256 F HN 0.905 nan 8.300 nan 0.000 0.445 257 A N 3.165 126.036 122.820 0.085 0.000 2.376 257 A HA 0.504 4.824 4.320 -0.001 0.000 0.298 257 A C 1.056 178.629 177.584 -0.019 0.000 1.271 257 A CA -0.248 51.793 52.037 0.008 0.000 0.926 257 A CB 0.359 19.514 19.000 0.257 0.000 1.141 257 A HN 0.947 nan 8.150 nan 0.000 0.539 258 R N 2.064 122.352 120.500 -0.353 0.000 2.052 258 R HA 0.040 4.380 4.340 -0.001 0.000 0.226 258 R C -0.076 175.863 176.300 -0.602 0.000 1.145 258 R CA 1.697 57.595 56.100 -0.336 0.000 0.952 258 R CB -0.206 29.901 30.300 -0.322 0.000 0.847 258 R HN 0.837 nan 8.270 nan 0.000 0.431 259 H N -2.198 116.568 119.070 -0.507 0.000 2.797 259 H HA 0.389 4.944 4.556 -0.001 0.000 0.372 259 H C -1.240 173.698 175.328 -0.651 0.000 1.168 259 H CA -0.650 54.934 56.048 -0.774 0.000 1.163 259 H CB 1.549 30.712 29.762 -0.997 0.000 1.778 259 H HN 0.005 nan 8.280 nan 0.000 0.551 260 F N 1.895 121.543 119.950 -0.502 0.000 2.411 260 F HA 0.284 4.811 4.527 -0.001 0.000 0.352 260 F C -0.589 175.089 175.800 -0.204 0.000 1.123 260 F CA -0.816 56.992 58.000 -0.319 0.000 1.044 260 F CB 1.159 40.070 39.000 -0.148 0.000 1.135 260 F HN 0.181 nan 8.300 nan 0.000 0.461 261 W N 1.754 123.279 121.300 0.374 0.000 2.799 261 W HA 0.328 4.988 4.660 -0.001 0.000 0.349 261 W C -0.458 176.236 176.519 0.291 0.000 1.100 261 W CA -1.256 56.273 57.345 0.305 0.000 1.174 261 W CB 1.292 30.921 29.460 0.282 0.000 1.427 261 W HN 0.446 nan 8.180 nan 0.000 0.547 262 N N 1.009 119.998 118.700 0.482 0.000 2.493 262 N HA 0.362 5.101 4.740 -0.001 0.000 0.275 262 N C -0.442 175.141 175.510 0.122 0.000 1.186 262 N CA -0.530 52.645 53.050 0.209 0.000 0.978 262 N CB 0.857 39.429 38.487 0.142 0.000 1.184 262 N HN -0.046 nan 8.380 nan 0.000 0.487 263 R N 1.221 121.723 120.500 0.004 0.000 2.393 263 R HA 0.390 4.729 4.340 -0.001 0.000 0.315 263 R C -0.736 175.532 176.300 -0.054 0.000 0.952 263 R CA -0.634 55.451 56.100 -0.025 0.000 0.842 263 R CB 1.332 31.611 30.300 -0.036 0.000 1.163 263 R HN 0.561 nan 8.270 nan 0.000 0.450 264 A N 1.382 124.167 122.820 -0.058 0.000 2.386 264 A HA 0.666 4.986 4.320 -0.001 0.000 0.248 264 A C 0.578 178.125 177.584 -0.062 0.000 1.082 264 A CA 0.748 52.751 52.037 -0.057 0.000 0.789 264 A CB 0.361 19.327 19.000 -0.057 0.000 1.025 264 A HN 0.859 nan 8.150 nan 0.000 0.490 265 G N -0.438 108.329 108.800 -0.056 0.000 2.351 265 G HA2 0.485 4.444 3.960 -0.001 0.000 0.353 265 G HA3 0.485 4.444 3.960 -0.001 0.000 0.353 265 G C -0.382 174.488 174.900 -0.050 0.000 1.358 265 G CA -0.181 44.888 45.100 -0.053 0.000 0.995 265 G HN 1.846 nan 8.290 nan 0.000 0.611 266 T N -0.610 113.918 114.554 -0.044 0.000 2.806 266 T HA 0.578 4.927 4.350 -0.001 0.000 0.290 266 T C 0.835 175.509 174.700 -0.043 0.000 0.966 266 T CA -0.723 61.353 62.100 -0.039 0.000 1.060 266 T CB 1.083 69.933 68.868 -0.030 0.000 0.927 266 T HN 0.581 nan 8.240 nan 0.000 0.485 267 M N 3.672 123.244 119.600 -0.047 0.000 2.303 267 M HA 0.169 4.648 4.480 -0.001 0.000 0.350 267 M C 1.670 177.949 176.300 -0.035 0.000 1.518 267 M CA -0.308 54.962 55.300 -0.049 0.000 1.070 267 M CB -0.207 32.360 32.600 -0.055 0.000 1.910 267 M HN 1.061 nan 8.290 nan 0.000 0.458 268 G N 3.608 112.387 108.800 -0.035 0.000 2.414 268 G HA2 -0.097 3.863 3.960 -0.001 0.000 0.215 268 G HA3 -0.097 3.863 3.960 -0.001 0.000 0.215 268 G C 0.192 175.079 174.900 -0.020 0.000 1.188 268 G CA 0.290 45.374 45.100 -0.026 0.000 0.783 268 G HN 0.629 nan 8.290 nan 0.000 0.537 269 D N 1.231 121.618 120.400 -0.022 0.000 2.295 269 D HA 0.352 4.992 4.640 -0.001 0.000 0.248 269 D C -0.031 176.264 176.300 -0.007 0.000 1.154 269 D CA 0.141 54.134 54.000 -0.013 0.000 0.857 269 D CB 1.316 42.108 40.800 -0.014 0.000 1.117 269 D HN -0.043 nan 8.370 nan 0.000 0.468 270 T N 0.926 115.482 114.554 0.003 0.000 2.907 270 T HA 0.187 4.536 4.350 -0.001 0.000 0.298 270 T C 0.672 175.393 174.700 0.035 0.000 1.017 270 T CA -0.614 61.496 62.100 0.016 0.000 1.118 270 T CB 1.138 70.021 68.868 0.024 0.000 0.948 270 T HN 0.016 nan 8.240 nan 0.000 0.531 271 V N 6.060 126.004 119.914 0.051 0.000 2.439 271 V HA 0.154 4.273 4.120 -0.001 0.000 0.271 271 V C -1.783 174.415 176.094 0.173 0.000 1.040 271 V CA -1.603 60.749 62.300 0.087 0.000 1.002 271 V CB -0.074 31.777 31.823 0.045 0.000 1.000 271 V HN 0.762 nan 8.190 nan 0.000 0.477 272 P HA -0.040 nan 4.420 nan 0.000 0.263 272 P C 0.755 178.129 177.300 0.124 0.000 1.168 272 P CA 0.269 63.430 63.100 0.102 0.000 0.759 272 P CB 0.438 32.180 31.700 0.070 0.000 0.782 273 Q N 1.453 121.251 119.800 -0.003 0.000 2.230 273 Q HA -0.083 4.256 4.340 -0.001 0.000 0.202 273 Q C 1.585 177.422 176.000 -0.270 0.000 0.963 273 Q CA 1.545 57.217 55.803 -0.218 0.000 0.866 273 Q CB -0.262 28.375 28.738 -0.169 0.000 0.931 273 Q HN 0.606 nan 8.270 nan 0.000 0.452 274 S N -0.593 115.046 115.700 -0.101 0.000 2.660 274 S HA 0.057 4.527 4.470 -0.001 0.000 0.228 274 S C 1.395 175.980 174.600 -0.024 0.000 0.966 274 S CA 0.190 58.348 58.200 -0.071 0.000 0.940 274 S CB -0.154 63.027 63.200 -0.031 0.000 0.773 274 S HN 0.273 nan 8.310 nan 0.000 0.535 275 L N 0.679 121.923 121.223 0.034 0.000 2.857 275 L HA 0.445 4.785 4.340 -0.001 0.000 0.249 275 L C -0.123 176.910 176.870 0.270 0.000 1.172 275 L CA -0.517 54.410 54.840 0.145 0.000 0.980 275 L CB -0.197 41.971 42.059 0.182 0.000 1.299 275 L HN 0.622 nan 8.230 nan 0.000 0.535 276 Y N -2.991 117.316 120.300 0.012 0.000 2.852 276 Y HA 0.574 5.124 4.550 -0.001 0.000 0.350 276 Y C -1.464 174.443 175.900 0.011 0.000 1.272 276 Y CA -1.530 56.579 58.100 0.014 0.000 1.086 276 Y CB 0.928 39.399 38.460 0.019 0.000 1.408 276 Y HN -0.227 nan 8.280 nan 0.000 0.447 277 I N 2.762 123.408 120.570 0.128 0.000 2.436 277 I HA 0.345 4.514 4.170 -0.001 0.000 0.289 277 I C -0.523 175.672 176.117 0.130 0.000 1.010 277 I CA -1.083 60.222 61.300 0.009 0.000 1.098 277 I CB 1.961 39.980 38.000 0.033 0.000 1.266 277 I HN 0.537 nan 8.210 nan 0.000 0.434 278 K N 3.380 123.805 120.400 0.041 0.000 2.344 278 K HA 0.336 4.656 4.320 -0.001 0.000 0.260 278 K C 0.385 177.052 176.600 0.111 0.000 0.988 278 K CA -0.093 56.281 56.287 0.145 0.000 0.909 278 K CB 0.559 33.100 32.500 0.068 0.000 0.968 278 K HN 0.822 nan 8.250 nan 0.000 0.505 279 G N -0.135 108.729 108.800 0.106 0.000 3.222 279 G HA2 0.479 4.439 3.960 -0.001 0.000 0.263 279 G HA3 0.479 4.439 3.960 -0.001 0.000 0.263 279 G C -1.018 173.914 174.900 0.053 0.000 1.312 279 G CA -0.543 44.598 45.100 0.069 0.000 0.934 279 G HN 0.580 nan 8.290 nan 0.000 0.577 280 T N -2.918 111.660 114.554 0.041 0.000 2.912 280 T HA 0.695 5.045 4.350 -0.001 0.000 0.288 280 T C 0.951 175.669 174.700 0.030 0.000 1.030 280 T CA 0.653 62.773 62.100 0.033 0.000 1.020 280 T CB 1.321 70.205 68.868 0.025 0.000 1.056 280 T HN 2.384 nan 8.240 nan 0.000 0.480 281 G N 2.534 111.349 108.800 0.026 0.000 2.536 281 G HA2 -0.344 3.616 3.960 -0.001 0.000 0.280 281 G HA3 -0.344 3.616 3.960 -0.001 0.000 0.280 281 G C 0.935 175.849 174.900 0.023 0.000 1.152 281 G CA 0.693 45.806 45.100 0.021 0.000 0.970 281 G HN 1.385 nan 8.290 nan 0.000 0.549 282 M N -0.443 119.169 119.600 0.020 0.000 2.562 282 M HA 0.365 4.845 4.480 -0.001 0.000 0.257 282 M C 2.045 178.356 176.300 0.019 0.000 1.099 282 M CA 1.842 57.152 55.300 0.017 0.000 1.099 282 M CB 0.029 32.638 32.600 0.015 0.000 1.427 282 M HN 0.302 nan 8.290 nan 0.000 0.489 283 R N 0.612 121.127 120.500 0.026 0.000 2.359 283 R HA 0.327 4.666 4.340 -0.001 0.000 0.231 283 R C 1.776 178.108 176.300 0.053 0.000 0.913 283 R CA 0.355 56.474 56.100 0.032 0.000 1.075 283 R CB 0.135 30.457 30.300 0.036 0.000 1.087 283 R HN 0.521 nan 8.270 nan 0.000 0.515 284 A N -0.146 122.705 122.820 0.052 0.000 2.119 284 A HA 0.040 4.359 4.320 -0.001 0.000 0.216 284 A C 0.827 178.470 177.584 0.099 0.000 1.152 284 A CA 0.761 52.841 52.037 0.072 0.000 0.708 284 A CB 0.280 19.310 19.000 0.050 0.000 0.805 284 A HN 0.127 nan 8.150 nan 0.000 0.460 285 S N 0.239 115.977 115.700 0.063 0.000 2.547 285 S HA 0.558 5.027 4.470 -0.001 0.000 0.281 285 S C -3.027 171.555 174.600 -0.031 0.000 1.118 285 S CA -1.516 56.714 58.200 0.049 0.000 0.947 285 S CB 1.357 64.575 63.200 0.030 0.000 1.053 285 S HN 0.166 nan 8.310 nan 0.000 0.482 286 P HA 0.229 nan 4.420 nan 0.000 0.268 286 P C 0.510 177.741 177.300 -0.115 0.000 1.204 286 P CA -0.098 62.875 63.100 -0.211 0.000 0.768 286 P CB 0.160 31.638 31.700 -0.371 0.000 0.842 287 G N 1.752 110.495 108.800 -0.096 0.000 2.570 287 G HA2 0.133 4.093 3.960 -0.001 0.000 0.276 287 G HA3 0.133 4.093 3.960 -0.001 0.000 0.276 287 G C -0.153 174.682 174.900 -0.108 0.000 1.346 287 G CA -0.465 44.592 45.100 -0.072 0.000 1.034 287 G HN 0.583 nan 8.290 nan 0.000 0.512 288 S N -2.086 113.545 115.700 -0.115 0.000 2.537 288 S HA 0.081 4.551 4.470 -0.001 0.000 0.286 288 S C 0.465 174.857 174.600 -0.346 0.000 1.299 288 S CA -0.457 57.634 58.200 -0.182 0.000 1.067 288 S CB -0.110 62.994 63.200 -0.159 0.000 0.864 288 S HN 0.520 nan 8.310 nan 0.000 0.494 289 C N 5.659 124.726 119.300 -0.388 0.000 2.741 289 C HA 0.393 4.853 4.460 -0.001 0.000 0.267 289 C C -0.415 174.241 174.990 -0.556 0.000 1.549 289 C CA -0.562 58.125 59.018 -0.553 0.000 1.772 289 C CB -1.061 26.564 27.740 -0.192 0.000 2.962 289 C HN 0.667 nan 8.230 nan 0.000 0.514 290 V N 1.807 121.381 119.914 -0.567 0.000 2.326 290 V HA 0.430 4.550 4.120 -0.001 0.000 0.281 290 V C -0.828 175.102 176.094 -0.273 0.000 1.015 290 V CA -0.395 61.740 62.300 -0.275 0.000 0.823 290 V CB 0.362 32.102 31.823 -0.139 0.000 1.009 290 V HN 0.417 nan 8.190 nan 0.000 0.436 291 Y N 2.160 122.481 120.300 0.034 0.000 2.487 291 Y HA 0.767 5.316 4.550 -0.001 0.000 0.337 291 Y C 0.542 176.485 175.900 0.072 0.000 1.076 291 Y CA -0.779 57.360 58.100 0.064 0.000 1.115 291 Y CB 2.310 40.781 38.460 0.018 0.000 1.235 291 Y HN 0.625 nan 8.280 nan 0.000 0.468 292 S N 1.820 117.710 115.700 0.317 0.000 2.566 292 S HA 0.593 5.063 4.470 -0.001 0.000 0.273 292 S C -3.450 171.306 174.600 0.259 0.000 1.157 292 S CA -1.480 56.863 58.200 0.238 0.000 0.938 292 S CB 2.520 65.883 63.200 0.272 0.000 1.087 292 S HN 0.366 nan 8.310 nan 0.000 0.474 293 P HA 0.404 nan 4.420 nan 0.000 0.290 293 P C -0.299 176.974 177.300 -0.044 0.000 1.275 293 P CA -0.496 62.629 63.100 0.041 0.000 0.841 293 P CB 1.481 33.189 31.700 0.014 0.000 1.042 294 S N 3.115 118.719 115.700 -0.160 0.000 2.510 294 S HA 0.335 4.805 4.470 -0.001 0.000 0.279 294 S C -1.900 172.578 174.600 -0.205 0.000 1.284 294 S CA -0.954 57.189 58.200 -0.094 0.000 1.059 294 S CB -0.297 62.812 63.200 -0.152 0.000 0.901 294 S HN 0.353 nan 8.310 nan 0.000 0.491 295 P HA 0.418 nan 4.420 nan 0.000 0.279 295 P C -0.520 176.610 177.300 -0.284 0.000 1.282 295 P CA -0.581 62.360 63.100 -0.264 0.000 0.788 295 P CB 0.928 32.497 31.700 -0.218 0.000 1.139 296 S N -1.654 113.817 115.700 -0.382 0.000 2.602 296 S HA 0.500 4.970 4.470 -0.001 0.000 0.301 296 S C -0.626 173.826 174.600 -0.246 0.000 1.091 296 S CA -0.593 57.394 58.200 -0.356 0.000 0.895 296 S CB -0.125 62.669 63.200 -0.677 0.000 1.090 296 S HN 0.678 nan 8.310 nan 0.000 0.449 297 G N 2.205 111.007 108.800 0.004 0.000 2.448 297 G HA2 0.545 4.504 3.960 -0.001 0.000 0.285 297 G HA3 0.545 4.504 3.960 -0.001 0.000 0.285 297 G C 0.442 175.464 174.900 0.202 0.000 1.176 297 G CA 0.031 45.202 45.100 0.119 0.000 0.852 297 G HN 0.800 nan 8.290 nan 0.000 0.530 298 S N 0.150 116.011 115.700 0.269 0.000 2.713 298 S HA 0.352 4.821 4.470 -0.001 0.000 0.213 298 S C 0.954 175.644 174.600 0.149 0.000 1.176 298 S CA -0.704 57.666 58.200 0.284 0.000 1.256 298 S CB -0.256 63.052 63.200 0.180 0.000 0.951 298 S HN 0.400 nan 8.310 nan 0.000 0.506 299 I N 1.721 122.346 120.570 0.091 0.000 2.710 299 I HA 0.123 4.293 4.170 -0.001 0.000 0.286 299 I C 0.000 176.154 176.117 0.061 0.000 1.181 299 I CA 0.011 61.348 61.300 0.062 0.000 1.430 299 I CB 0.829 38.849 38.000 0.033 0.000 1.367 299 I HN 0.184 nan 8.210 nan 0.000 0.577 300 V N 6.409 126.357 119.914 0.057 0.000 2.394 300 V HA 0.636 4.756 4.120 -0.001 0.000 0.282 300 V C -0.114 175.999 176.094 0.031 0.000 1.031 300 V CA 0.189 62.518 62.300 0.048 0.000 0.881 300 V CB 1.614 33.470 31.823 0.055 0.000 0.982 300 V HN 0.886 nan 8.190 nan 0.000 0.451 301 T N 2.655 117.221 114.554 0.020 0.000 2.900 301 T HA 0.376 4.725 4.350 -0.001 0.000 0.303 301 T C 0.794 175.497 174.700 0.004 0.000 1.142 301 T CA 0.090 62.197 62.100 0.011 0.000 1.007 301 T CB 1.813 70.685 68.868 0.007 0.000 1.156 301 T HN 1.121 nan 8.240 nan 0.000 0.490 302 S N 1.533 117.233 115.700 0.001 0.000 2.607 302 S HA 0.040 4.510 4.470 -0.001 0.000 0.224 302 S C 0.988 175.582 174.600 -0.010 0.000 0.969 302 S CA 0.267 58.465 58.200 -0.003 0.000 0.927 302 S CB -0.226 62.973 63.200 -0.002 0.000 0.772 302 S HN 0.717 nan 8.310 nan 0.000 0.533 303 D N 2.702 123.096 120.400 -0.009 0.000 2.149 303 D HA -0.035 4.604 4.640 -0.001 0.000 0.201 303 D C 1.590 177.880 176.300 -0.018 0.000 0.972 303 D CA 1.525 55.518 54.000 -0.012 0.000 0.835 303 D CB -0.191 40.603 40.800 -0.009 0.000 0.966 303 D HN 0.650 nan 8.370 nan 0.000 0.476 304 S N 0.100 115.788 115.700 -0.020 0.000 2.573 304 S HA 0.150 4.620 4.470 -0.001 0.000 0.244 304 S C 0.510 175.075 174.600 -0.058 0.000 0.984 304 S CA -0.567 57.613 58.200 -0.032 0.000 1.001 304 S CB 0.427 63.614 63.200 -0.023 0.000 0.788 304 S HN -0.117 nan 8.310 nan 0.000 0.456 305 Q N 1.089 120.855 119.800 -0.056 0.000 2.304 305 Q HA 0.410 4.749 4.340 -0.001 0.000 0.260 305 Q C 0.597 176.512 176.000 -0.142 0.000 0.965 305 Q CA -0.392 55.358 55.803 -0.089 0.000 0.898 305 Q CB 1.061 29.775 28.738 -0.040 0.000 1.196 305 Q HN 0.366 nan 8.270 nan 0.000 0.402 306 L N 3.910 124.934 121.223 -0.331 0.000 2.162 306 L HA 0.276 4.616 4.340 -0.001 0.000 0.205 306 L C -0.086 176.587 176.870 -0.327 0.000 1.086 306 L CA 1.184 55.744 54.840 -0.466 0.000 0.778 306 L CB -0.045 41.490 42.059 -0.874 0.000 0.928 306 L HN 0.660 nan 8.230 nan 0.000 0.446 307 F N -0.752 119.292 119.950 0.156 0.000 2.377 307 F HA 0.257 4.784 4.527 -0.001 0.000 0.335 307 F C 1.367 177.181 175.800 0.023 0.000 1.099 307 F CA -0.663 57.431 58.000 0.157 0.000 1.072 307 F CB 0.116 39.162 39.000 0.076 0.000 1.417 307 F HN -0.093 nan 8.300 nan 0.000 0.495 308 N N -0.356 118.459 118.700 0.191 0.000 2.782 308 N HA -0.202 4.538 4.740 -0.001 0.000 0.251 308 N C -1.409 174.029 175.510 -0.120 0.000 1.101 308 N CA 0.434 53.485 53.050 0.002 0.000 0.764 308 N CB -0.745 37.748 38.487 0.010 0.000 1.122 308 N HN 0.408 nan 8.380 nan 0.000 0.561 309 K N 0.138 120.381 120.400 -0.263 0.000 2.422 309 K HA 0.479 4.799 4.320 -0.001 0.000 0.251 309 K C -2.782 173.222 176.600 -0.993 0.000 0.933 309 K CA -1.670 54.292 56.287 -0.542 0.000 0.798 309 K CB 2.506 34.695 32.500 -0.518 0.000 1.238 309 K HN -0.156 nan 8.250 nan 0.000 0.428 310 P HA 0.178 nan 4.420 nan 0.000 0.292 310 P C -1.506 174.981 177.300 -1.354 0.000 1.287 310 P CA -0.348 62.111 63.100 -1.067 0.000 0.800 310 P CB 0.409 31.532 31.700 -0.962 0.000 0.945 311 Y N 1.158 121.038 120.300 -0.700 0.000 2.393 311 Y HA 0.479 5.029 4.550 -0.000 0.000 0.341 311 Y C -0.257 175.239 175.900 -0.675 0.000 0.988 311 Y CA -0.628 57.175 58.100 -0.495 0.000 1.078 311 Y CB 1.171 39.687 38.460 0.092 0.000 1.203 311 Y HN 0.347 nan 8.280 nan 0.000 0.453 312 W N 4.441 125.849 121.300 0.180 0.000 2.478 312 W HA 0.686 5.346 4.660 -0.001 0.000 0.318 312 W C -0.914 175.729 176.519 0.206 0.000 1.062 312 W CA -1.174 56.233 57.345 0.102 0.000 1.210 312 W CB 1.066 30.587 29.460 0.101 0.000 1.325 312 W HN 0.372 nan 8.180 nan 0.000 0.496 313 L N 2.662 124.058 121.223 0.289 0.000 2.259 313 L HA 0.435 4.775 4.340 -0.001 0.000 0.288 313 L C 1.143 178.153 176.870 0.233 0.000 1.051 313 L CA -0.678 54.318 54.840 0.259 0.000 0.824 313 L CB 0.474 42.563 42.059 0.051 0.000 1.206 313 L HN 0.628 nan 8.230 nan 0.000 0.429 314 H N 2.141 121.314 119.070 0.171 0.000 2.431 314 H HA 0.281 4.836 4.556 -0.001 0.000 0.295 314 H C -0.353 175.035 175.328 0.101 0.000 1.038 314 H CA -0.124 56.003 56.048 0.133 0.000 1.360 314 H CB 0.257 30.095 29.762 0.128 0.000 1.433 314 H HN 0.575 nan 8.280 nan 0.000 0.536 315 K N 0.771 120.940 120.400 -0.386 0.000 2.729 315 K HA 0.512 4.832 4.320 -0.001 0.000 0.269 315 K C -0.945 175.530 176.600 -0.209 0.000 1.065 315 K CA -0.055 56.098 56.287 -0.223 0.000 1.000 315 K CB 2.612 35.019 32.500 -0.155 0.000 1.283 315 K HN 0.361 nan 8.250 nan 0.000 0.491 316 A N 1.742 124.523 122.820 -0.065 0.000 2.536 316 A HA -0.033 4.286 4.320 -0.001 0.000 0.234 316 A C 1.324 178.943 177.584 0.058 0.000 1.076 316 A CA 0.396 52.462 52.037 0.047 0.000 0.769 316 A CB 0.294 19.355 19.000 0.102 0.000 1.020 316 A HN 0.858 nan 8.150 nan 0.000 0.508 317 Q N 1.300 121.160 119.800 0.101 0.000 2.083 317 Q HA 0.207 4.547 4.340 -0.001 0.000 0.198 317 Q C 1.031 177.048 176.000 0.029 0.000 0.969 317 Q CA 1.446 57.282 55.803 0.056 0.000 0.838 317 Q CB -0.689 28.085 28.738 0.060 0.000 0.900 317 Q HN 0.810 nan 8.270 nan 0.000 0.436 318 G N -0.935 107.911 108.800 0.077 0.000 2.543 318 G HA2 0.231 4.190 3.960 -0.001 0.000 0.267 318 G HA3 0.231 4.190 3.960 -0.001 0.000 0.267 318 G C -0.310 174.606 174.900 0.028 0.000 1.406 318 G CA -0.133 44.970 45.100 0.004 0.000 1.048 318 G HN 0.417 nan 8.290 nan 0.000 0.548 319 H N -0.923 118.270 119.070 0.204 0.000 2.436 319 H HA 0.041 4.596 4.556 -0.001 0.000 0.294 319 H C 1.023 176.515 175.328 0.273 0.000 1.048 319 H CA 0.365 56.550 56.048 0.229 0.000 1.353 319 H CB 0.300 30.221 29.762 0.265 0.000 1.414 319 H HN 0.250 nan 8.280 nan 0.000 0.536 320 N N 1.696 120.670 118.700 0.457 0.000 2.420 320 N HA -0.099 4.640 4.740 -0.001 0.000 0.262 320 N C -0.631 175.051 175.510 0.287 0.000 1.144 320 N CA 0.140 53.441 53.050 0.418 0.000 0.952 320 N CB 0.229 39.035 38.487 0.531 0.000 1.081 320 N HN 0.241 nan 8.380 nan 0.000 0.480 321 N N 3.040 121.804 118.700 0.108 0.000 3.324 321 N HA 0.132 4.871 4.740 -0.001 0.000 0.302 321 N C 0.515 175.865 175.510 -0.266 0.000 1.360 321 N CA 0.288 53.316 53.050 -0.036 0.000 1.190 321 N CB -0.627 37.852 38.487 -0.013 0.000 1.462 321 N HN 0.809 nan 8.380 nan 0.000 0.532 322 G N 0.423 108.825 108.800 -0.662 0.000 2.187 322 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.261 322 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.261 322 G C 0.138 174.764 174.900 -0.458 0.000 1.000 322 G CA 0.417 44.711 45.100 -1.343 0.000 0.718 322 G HN 0.355 nan 8.290 nan 0.000 0.519 323 V N 0.537 120.295 119.914 -0.260 0.000 2.479 323 V HA 0.204 4.324 4.120 -0.001 0.000 0.281 323 V C 1.194 177.096 176.094 -0.319 0.000 1.031 323 V CA 0.008 62.089 62.300 -0.366 0.000 1.038 323 V CB 1.080 32.513 31.823 -0.650 0.000 0.981 323 V HN 0.427 nan 8.190 nan 0.000 0.478 324 C N 5.908 125.118 119.300 -0.151 0.000 2.138 324 C HA 0.283 4.742 4.460 -0.001 0.000 0.398 324 C C 0.393 175.427 174.990 0.074 0.000 1.029 324 C CA -1.408 57.641 59.018 0.052 0.000 1.426 324 C CB -1.829 25.988 27.740 0.128 0.000 1.652 324 C HN 0.866 nan 8.230 nan 0.000 0.486 325 W N 1.834 123.294 121.300 0.266 0.000 2.231 325 W HA 0.195 4.855 4.660 -0.001 0.000 0.341 325 W C 1.238 177.958 176.519 0.334 0.000 1.298 325 W CA 0.368 57.877 57.345 0.274 0.000 1.266 325 W CB -0.058 29.572 29.460 0.283 0.000 1.172 325 W HN 0.783 nan 8.180 nan 0.000 0.568 326 H N 0.431 119.689 119.070 0.312 0.000 3.211 326 H HA -0.269 4.287 4.556 -0.001 0.000 0.240 326 H C 0.537 175.921 175.328 0.093 0.000 1.148 326 H CA 1.178 57.311 56.048 0.143 0.000 1.160 326 H CB -1.942 27.893 29.762 0.122 0.000 1.232 326 H HN 0.572 nan 8.280 nan 0.000 0.321 327 N N -0.760 118.071 118.700 0.218 0.000 2.735 327 N HA -0.225 4.514 4.740 -0.001 0.000 0.248 327 N C -0.022 175.486 175.510 -0.003 0.000 1.083 327 N CA 1.395 54.505 53.050 0.100 0.000 0.703 327 N CB -0.834 37.692 38.487 0.065 0.000 1.005 327 N HN 0.732 nan 8.380 nan 0.000 0.550 328 Q N -0.148 119.677 119.800 0.043 0.000 2.297 328 Q HA 0.816 5.155 4.340 -0.001 0.000 0.269 328 Q C -0.586 175.343 176.000 -0.117 0.000 1.051 328 Q CA -0.817 54.930 55.803 -0.094 0.000 0.869 328 Q CB 2.143 30.854 28.738 -0.046 0.000 1.346 328 Q HN 0.369 nan 8.270 nan 0.000 0.457 329 L N 1.225 122.258 121.223 -0.316 0.000 2.751 329 L HA 0.435 4.774 4.340 -0.001 0.000 0.261 329 L C -1.927 174.776 176.870 -0.279 0.000 0.927 329 L CA -0.449 54.309 54.840 -0.137 0.000 0.968 329 L CB 0.990 43.029 42.059 -0.032 0.000 1.432 329 L HN 0.539 nan 8.230 nan 0.000 0.439 330 F N 4.165 124.051 119.950 -0.106 0.000 2.397 330 F HA 0.687 5.214 4.527 -0.001 0.000 0.331 330 F C 0.101 175.894 175.800 -0.012 0.000 1.090 330 F CA -0.609 57.306 58.000 -0.142 0.000 1.065 330 F CB 2.025 40.855 39.000 -0.283 0.000 1.184 330 F HN 0.086 nan 8.300 nan 0.000 0.499 331 V N 2.137 122.204 119.914 0.254 0.000 2.447 331 V HA 0.348 4.467 4.120 -0.001 0.000 0.292 331 V C -0.622 175.621 176.094 0.248 0.000 1.021 331 V CA -0.639 61.825 62.300 0.273 0.000 0.850 331 V CB 1.822 33.842 31.823 0.327 0.000 1.005 331 V HN 0.812 nan 8.190 nan 0.000 0.426 332 T N 4.656 119.328 114.554 0.197 0.000 2.767 332 T HA 0.710 5.060 4.350 -0.001 0.000 0.284 332 T C -0.431 174.391 174.700 0.203 0.000 0.973 332 T CA -0.437 61.768 62.100 0.175 0.000 0.996 332 T CB 1.758 70.708 68.868 0.136 0.000 0.927 332 T HN 0.318 nan 8.240 nan 0.000 0.456 333 V N 3.509 123.525 119.914 0.169 0.000 2.841 333 V HA 0.630 4.750 4.120 -0.001 0.000 0.310 333 V C -0.847 175.320 176.094 0.123 0.000 1.090 333 V CA -0.684 61.709 62.300 0.156 0.000 0.930 333 V CB 2.460 34.342 31.823 0.098 0.000 1.014 333 V HN 0.722 nan 8.190 nan 0.000 0.425 334 V N 3.231 123.239 119.914 0.156 0.000 2.638 334 V HA 0.612 4.732 4.120 -0.001 0.000 0.306 334 V C -1.320 174.918 176.094 0.240 0.000 1.052 334 V CA -0.473 61.869 62.300 0.071 0.000 0.885 334 V CB 2.078 33.846 31.823 -0.091 0.000 0.999 334 V HN 1.012 nan 8.190 nan 0.000 0.424 335 D N 2.240 122.761 120.400 0.203 0.000 2.375 335 D HA 0.318 4.958 4.640 -0.001 0.000 0.241 335 D C 0.574 176.933 176.300 0.098 0.000 1.361 335 D CA 0.123 54.290 54.000 0.279 0.000 0.995 335 D CB 1.902 42.973 40.800 0.452 0.000 1.312 335 D HN 0.587 nan 8.370 nan 0.000 0.576 336 T N -0.465 114.107 114.554 0.029 0.000 3.122 336 T HA 0.028 4.378 4.350 -0.001 0.000 0.250 336 T C 1.556 176.235 174.700 -0.033 0.000 1.067 336 T CA 0.621 62.638 62.100 -0.138 0.000 0.966 336 T CB -0.112 68.632 68.868 -0.205 0.000 1.002 336 T HN 0.340 nan 8.240 nan 0.000 0.542 337 T N -0.172 114.410 114.554 0.047 0.000 3.085 337 T HA 0.155 4.505 4.350 -0.001 0.000 0.263 337 T C 0.996 175.727 174.700 0.052 0.000 1.127 337 T CA -0.010 62.124 62.100 0.056 0.000 1.103 337 T CB -0.306 68.600 68.868 0.064 0.000 0.921 337 T HN 0.390 nan 8.240 nan 0.000 0.510 338 R N 1.524 122.054 120.500 0.051 0.000 2.564 338 R HA 0.344 4.683 4.340 -0.001 0.000 0.282 338 R C 0.120 176.493 176.300 0.122 0.000 1.573 338 R CA -0.067 56.075 56.100 0.069 0.000 1.588 338 R CB 0.969 31.299 30.300 0.049 0.000 1.154 338 R HN 0.402 nan 8.270 nan 0.000 0.606 339 S N -1.471 114.274 115.700 0.076 0.000 2.651 339 S HA 0.023 4.493 4.470 -0.001 0.000 0.246 339 S C 0.504 175.129 174.600 0.042 0.000 1.039 339 S CA -0.661 57.551 58.200 0.021 0.000 1.013 339 S CB 0.285 63.428 63.200 -0.095 0.000 0.861 339 S HN 0.311 nan 8.310 nan 0.000 0.485 340 T N 1.800 116.425 114.554 0.119 0.000 2.867 340 T HA 0.220 4.570 4.350 -0.001 0.000 0.297 340 T C -0.207 174.576 174.700 0.138 0.000 0.989 340 T CA -0.332 61.828 62.100 0.099 0.000 1.159 340 T CB -0.155 68.764 68.868 0.085 0.000 0.928 340 T HN 0.427 nan 8.240 nan 0.000 0.538 341 N N 2.663 121.409 118.700 0.076 0.000 2.426 341 N HA 0.328 5.068 4.740 -0.001 0.000 0.257 341 N C -0.296 175.245 175.510 0.052 0.000 1.002 341 N CA -0.692 52.401 53.050 0.071 0.000 0.942 341 N CB 0.849 39.335 38.487 -0.001 0.000 1.112 341 N HN 0.505 nan 8.380 nan 0.000 0.499 342 L N 1.961 123.221 121.223 0.061 0.000 2.416 342 L HA 0.205 4.545 4.340 -0.001 0.000 0.272 342 L C 0.539 177.425 176.870 0.026 0.000 1.161 342 L CA -0.012 54.851 54.840 0.039 0.000 0.845 342 L CB 0.438 42.517 42.059 0.033 0.000 1.119 342 L HN 0.415 nan 8.230 nan 0.000 0.464 343 T N 4.554 119.126 114.554 0.030 0.000 2.767 343 T HA 0.566 4.915 4.350 -0.001 0.000 0.284 343 T C -0.053 174.680 174.700 0.056 0.000 0.973 343 T CA -0.197 61.927 62.100 0.040 0.000 0.996 343 T CB 0.765 69.653 68.868 0.033 0.000 0.927 343 T HN 0.293 nan 8.240 nan 0.000 0.456 344 I N 3.800 124.424 120.570 0.090 0.000 2.418 344 I HA 0.427 4.597 4.170 -0.001 0.000 0.287 344 I C 0.092 176.316 176.117 0.179 0.000 1.008 344 I CA -0.838 60.518 61.300 0.093 0.000 1.104 344 I CB 1.245 39.266 38.000 0.035 0.000 1.264 344 I HN 0.737 nan 8.210 nan 0.000 0.438 345 C N 4.342 123.737 119.300 0.158 0.000 2.408 345 C HA 0.956 5.416 4.460 -0.001 0.000 0.321 345 C C 0.112 175.247 174.990 0.242 0.000 1.245 345 C CA -0.470 58.694 59.018 0.243 0.000 1.523 345 C CB 0.520 28.381 27.740 0.202 0.000 2.178 345 C HN 0.835 nan 8.230 nan 0.000 0.488 346 A N 3.406 126.386 122.820 0.265 0.000 2.337 346 A HA 0.914 5.234 4.320 -0.001 0.000 0.331 346 A C 0.252 177.933 177.584 0.162 0.000 1.137 346 A CA -0.036 52.102 52.037 0.169 0.000 0.807 346 A CB 1.073 20.114 19.000 0.069 0.000 1.250 346 A HN 1.803 nan 8.150 nan 0.000 0.468 347 S N 0.412 116.095 115.700 -0.029 0.000 2.693 347 S HA 0.477 4.947 4.470 -0.001 0.000 0.276 347 S C 0.688 175.157 174.600 -0.218 0.000 1.192 347 S CA 0.308 58.284 58.200 -0.373 0.000 0.994 347 S CB 1.097 63.871 63.200 -0.710 0.000 1.012 347 S HN 0.600 nan 8.310 nan 0.000 0.550 348 T N 0.817 115.200 114.554 -0.284 0.000 2.901 348 T HA 0.081 4.431 4.350 -0.001 0.000 0.252 348 T C 0.505 175.124 174.700 -0.135 0.000 1.035 348 T CA 0.660 62.671 62.100 -0.147 0.000 1.142 348 T CB -0.229 68.562 68.868 -0.129 0.000 0.869 348 T HN 0.580 nan 8.240 nan 0.000 0.442 349 Q N 1.353 121.042 119.800 -0.185 0.000 2.392 349 Q HA 0.228 4.568 4.340 -0.001 0.000 0.262 349 Q C 1.343 177.275 176.000 -0.113 0.000 1.003 349 Q CA 0.038 55.760 55.803 -0.136 0.000 0.888 349 Q CB 0.980 29.634 28.738 -0.141 0.000 1.260 349 Q HN 0.195 nan 8.270 nan 0.000 0.435 350 S N 1.731 117.387 115.700 -0.072 0.000 2.362 350 S HA -0.024 4.446 4.470 -0.001 0.000 0.221 350 S C -0.771 173.803 174.600 -0.043 0.000 1.032 350 S CA 0.522 58.691 58.200 -0.051 0.000 0.973 350 S CB -0.721 62.459 63.200 -0.034 0.000 0.849 350 S HN 0.498 nan 8.310 nan 0.000 0.465 351 P HA 0.151 nan 4.420 nan 0.000 0.220 351 P C -0.185 177.102 177.300 -0.022 0.000 1.148 351 P CA 0.595 63.681 63.100 -0.023 0.000 0.803 351 P CB -0.042 31.647 31.700 -0.018 0.000 0.782 352 V N -1.330 118.554 119.914 -0.052 0.000 6.244 352 V HA -0.113 4.007 4.120 -0.001 0.000 0.295 352 V C -2.044 174.049 176.094 -0.002 0.000 0.550 352 V CA -0.799 61.468 62.300 -0.055 0.000 0.756 352 V CB -2.503 29.322 31.823 0.002 0.000 0.665 352 V HN 0.276 nan 8.190 nan 0.000 0.592 353 P HA 0.083 nan 4.420 nan 0.000 0.267 353 P C 1.179 178.519 177.300 0.066 0.000 1.195 353 P CA 0.952 64.063 63.100 0.018 0.000 0.773 353 P CB 0.717 32.417 31.700 0.000 0.000 0.837 354 G N 0.830 109.667 108.800 0.062 0.000 3.210 354 G HA2 -0.013 3.947 3.960 -0.001 0.000 0.220 354 G HA3 -0.013 3.947 3.960 -0.001 0.000 0.220 354 G C 0.462 175.420 174.900 0.098 0.000 1.200 354 G CA 0.152 45.300 45.100 0.081 0.000 0.834 354 G HN 0.516 nan 8.290 nan 0.000 0.524 355 Q N 0.121 119.984 119.800 0.105 0.000 2.357 355 Q HA 0.407 4.747 4.340 -0.001 0.000 0.266 355 Q C -1.224 174.880 176.000 0.174 0.000 1.021 355 Q CA -1.065 54.809 55.803 0.118 0.000 0.784 355 Q CB 0.933 29.714 28.738 0.072 0.000 1.243 355 Q HN 0.299 nan 8.270 nan 0.000 0.465 356 Y N 3.220 123.580 120.300 0.100 0.000 2.569 356 Y HA 0.255 4.804 4.550 -0.001 0.000 0.332 356 Y C -0.801 175.181 175.900 0.137 0.000 1.120 356 Y CA 0.563 58.745 58.100 0.136 0.000 1.416 356 Y CB 0.644 39.137 38.460 0.056 0.000 1.210 356 Y HN 0.566 nan 8.280 nan 0.000 0.528 357 D N 5.222 125.415 120.400 -0.346 0.000 2.575 357 D HA 0.371 5.010 4.640 -0.001 0.000 0.250 357 D C 0.494 176.539 176.300 -0.426 0.000 1.279 357 D CA 0.208 53.996 54.000 -0.355 0.000 0.925 357 D CB 1.516 42.256 40.800 -0.099 0.000 1.261 357 D HN 0.752 nan 8.370 nan 0.000 0.567 358 A N 2.775 125.264 122.820 -0.551 0.000 1.881 358 A HA -0.276 4.043 4.320 -0.001 0.000 0.219 358 A C 2.049 179.630 177.584 -0.006 0.000 1.215 358 A CA 3.056 54.934 52.037 -0.265 0.000 0.648 358 A CB -1.416 17.553 19.000 -0.052 0.000 0.832 358 A HN 0.706 nan 8.150 nan 0.000 0.455 359 T N -2.141 112.409 114.554 -0.006 0.000 2.802 359 T HA -0.201 4.149 4.350 -0.001 0.000 0.269 359 T C 1.531 176.252 174.700 0.035 0.000 1.062 359 T CA 1.768 63.880 62.100 0.020 0.000 1.133 359 T CB -0.336 68.529 68.868 -0.005 0.000 0.852 359 T HN 0.484 nan 8.240 nan 0.000 0.485 360 K N 0.133 120.555 120.400 0.037 0.000 2.569 360 K HA 0.162 4.481 4.320 -0.001 0.000 0.193 360 K C -0.961 175.497 176.600 -0.236 0.000 1.026 360 K CA 0.004 56.234 56.287 -0.095 0.000 1.093 360 K CB -0.076 32.330 32.500 -0.157 0.000 0.849 360 K HN 0.412 nan 8.250 nan 0.000 0.509 361 F N 0.138 120.058 119.950 -0.050 0.000 2.578 361 F HA 0.372 4.899 4.527 -0.001 0.000 0.311 361 F C -0.296 175.519 175.800 0.026 0.000 1.094 361 F CA -1.035 56.968 58.000 0.006 0.000 0.923 361 F CB 1.491 40.503 39.000 0.021 0.000 1.230 361 F HN -0.416 nan 8.300 nan 0.000 0.450 362 K N 1.917 122.486 120.400 0.281 0.000 2.213 362 K HA 0.398 4.718 4.320 -0.001 0.000 0.270 362 K C -0.803 175.930 176.600 0.222 0.000 1.002 362 K CA -0.884 55.517 56.287 0.191 0.000 0.868 362 K CB 1.743 34.400 32.500 0.263 0.000 1.093 362 K HN 0.498 nan 8.250 nan 0.000 0.454 363 Q N 2.409 122.223 119.800 0.023 0.000 2.257 363 Q HA 0.299 4.638 4.340 -0.001 0.000 0.255 363 Q C -1.577 174.380 176.000 -0.072 0.000 0.920 363 Q CA -0.084 55.757 55.803 0.063 0.000 0.927 363 Q CB 0.667 29.414 28.738 0.016 0.000 1.229 363 Q HN 0.351 nan 8.270 nan 0.000 0.433 364 Y N 0.003 120.315 120.300 0.020 0.000 2.602 364 Y HA 0.677 5.226 4.550 -0.001 0.000 0.342 364 Y C -0.322 175.547 175.900 -0.050 0.000 1.029 364 Y CA -1.066 57.029 58.100 -0.010 0.000 1.080 364 Y CB 2.465 40.922 38.460 -0.005 0.000 1.284 364 Y HN 0.500 nan 8.280 nan 0.000 0.485 365 S N 1.831 117.563 115.700 0.054 0.000 2.594 365 S HA 0.757 5.226 4.470 -0.001 0.000 0.296 365 S C -1.402 173.132 174.600 -0.110 0.000 1.124 365 S CA -0.704 57.445 58.200 -0.084 0.000 1.011 365 S CB 0.371 63.416 63.200 -0.258 0.000 1.016 365 S HN 0.543 nan 8.310 nan 0.000 0.485 366 R N 2.860 123.329 120.500 -0.051 0.000 2.686 366 R HA 0.432 4.772 4.340 -0.001 0.000 0.283 366 R C -1.125 175.205 176.300 0.050 0.000 0.978 366 R CA -0.639 55.448 56.100 -0.021 0.000 0.897 366 R CB 1.335 31.633 30.300 -0.004 0.000 1.192 366 R HN 0.867 nan 8.270 nan 0.000 0.457 367 H N 1.261 120.297 119.070 -0.057 0.000 2.538 367 H HA 0.565 5.121 4.556 -0.001 0.000 0.353 367 H C -1.043 174.296 175.328 0.020 0.000 1.109 367 H CA -0.738 55.300 56.048 -0.016 0.000 1.192 367 H CB 1.997 31.754 29.762 -0.008 0.000 1.555 367 H HN 0.175 nan 8.280 nan 0.000 0.518 368 V N 3.426 123.023 119.914 -0.528 0.000 2.881 368 V HA 0.249 4.369 4.120 -0.001 0.000 0.316 368 V C -0.539 175.281 176.094 -0.455 0.000 1.070 368 V CA -0.564 61.528 62.300 -0.348 0.000 0.976 368 V CB 1.998 33.721 31.823 -0.168 0.000 1.038 368 V HN 0.772 nan 8.190 nan 0.000 0.446 369 E N 1.881 122.008 120.200 -0.122 0.000 2.290 369 E HA 0.432 4.781 4.350 -0.001 0.000 0.274 369 E C -1.212 175.473 176.600 0.141 0.000 0.889 369 E CA -0.439 55.972 56.400 0.019 0.000 0.760 369 E CB 1.789 31.634 29.700 0.242 0.000 1.206 369 E HN 0.712 nan 8.360 nan 0.000 0.419 370 E N 4.316 124.515 120.200 -0.002 0.000 2.220 370 E HA 0.301 4.650 4.350 -0.001 0.000 0.256 370 E C -1.247 175.252 176.600 -0.168 0.000 0.881 370 E CA -0.522 55.886 56.400 0.014 0.000 0.766 370 E CB 0.578 30.263 29.700 -0.025 0.000 1.187 370 E HN 0.407 nan 8.360 nan 0.000 0.419 371 Y N 1.674 121.931 120.300 -0.071 0.000 2.596 371 Y HA 0.478 5.028 4.550 -0.001 0.000 0.326 371 Y C 0.058 175.819 175.900 -0.230 0.000 1.167 371 Y CA -0.811 57.168 58.100 -0.202 0.000 1.246 371 Y CB 1.449 39.701 38.460 -0.347 0.000 1.347 371 Y HN 0.442 nan 8.280 nan 0.000 0.515 372 D N 1.073 121.392 120.400 -0.135 0.000 2.548 372 D HA 0.219 4.858 4.640 -0.001 0.000 0.214 372 D C -1.950 174.201 176.300 -0.250 0.000 1.345 372 D CA -0.206 53.698 54.000 -0.160 0.000 0.945 372 D CB 0.743 41.479 40.800 -0.107 0.000 1.499 372 D HN 0.537 nan 8.370 nan 0.000 0.579 373 L N 2.226 123.269 121.223 -0.300 0.000 2.325 373 L HA 0.541 4.881 4.340 -0.001 0.000 0.279 373 L C 0.345 176.956 176.870 -0.431 0.000 1.054 373 L CA -0.663 53.936 54.840 -0.401 0.000 0.804 373 L CB 1.574 43.488 42.059 -0.241 0.000 1.200 373 L HN 0.294 nan 8.230 nan 0.000 0.436 374 Q N 2.406 121.704 119.800 -0.835 0.000 2.389 374 Q HA 0.721 5.060 4.340 -0.001 0.000 0.277 374 Q C -1.677 173.536 176.000 -1.311 0.000 1.082 374 Q CA -0.637 54.704 55.803 -0.770 0.000 0.810 374 Q CB 3.128 31.557 28.738 -0.514 0.000 1.374 374 Q HN 0.364 nan 8.270 nan 0.000 0.422 375 F N 0.488 120.003 119.950 -0.726 0.000 2.662 375 F HA 0.565 5.092 4.527 -0.001 0.000 0.312 375 F C -0.901 174.336 175.800 -0.939 0.000 1.113 375 F CA -0.969 56.501 58.000 -0.885 0.000 0.951 375 F CB 1.509 39.766 39.000 -1.240 0.000 1.344 375 F HN 0.274 nan 8.300 nan 0.000 0.462 376 I N 2.488 122.628 120.570 -0.718 0.000 2.500 376 I HA 0.326 4.495 4.170 -0.001 0.000 0.286 376 I C -1.175 174.577 176.117 -0.609 0.000 1.063 376 I CA -0.827 60.112 61.300 -0.601 0.000 1.062 376 I CB 1.288 38.909 38.000 -0.633 0.000 1.223 376 I HN 0.394 nan 8.210 nan 0.000 0.435 377 F N 4.038 123.810 119.950 -0.297 0.000 2.422 377 F HA 0.472 4.998 4.527 -0.001 0.000 0.333 377 F C 0.719 176.585 175.800 0.111 0.000 1.095 377 F CA -0.603 57.277 58.000 -0.201 0.000 1.038 377 F CB 1.437 40.056 39.000 -0.635 0.000 1.156 377 F HN 0.389 nan 8.300 nan 0.000 0.483 378 Q N 3.278 123.320 119.800 0.404 0.000 2.293 378 Q HA 0.468 4.807 4.340 -0.001 0.000 0.261 378 Q C -1.235 174.989 176.000 0.374 0.000 0.960 378 Q CA -1.109 54.815 55.803 0.201 0.000 0.882 378 Q CB 1.721 30.479 28.738 0.034 0.000 1.275 378 Q HN 0.742 nan 8.270 nan 0.000 0.445 379 L N 3.738 125.167 121.223 0.343 0.000 2.416 379 L HA 0.309 4.649 4.340 -0.001 0.000 0.272 379 L C -1.358 175.438 176.870 -0.123 0.000 1.161 379 L CA 0.436 55.299 54.840 0.039 0.000 0.845 379 L CB 0.812 42.871 42.059 -0.001 0.000 1.119 379 L HN 0.850 nan 8.230 nan 0.000 0.464 380 C N 2.315 121.471 119.300 -0.239 0.000 2.994 380 C HA 0.776 5.236 4.460 -0.001 0.000 0.305 380 C C -0.048 174.813 174.990 -0.215 0.000 1.251 380 C CA -0.375 58.542 59.018 -0.167 0.000 1.478 380 C CB 2.022 29.699 27.740 -0.105 0.000 1.922 380 C HN 0.941 nan 8.230 nan 0.000 0.472 381 T N -0.005 114.468 114.554 -0.136 0.000 2.912 381 T HA 0.818 5.167 4.350 -0.001 0.000 0.288 381 T C -0.921 173.769 174.700 -0.017 0.000 1.030 381 T CA -0.519 61.511 62.100 -0.117 0.000 1.020 381 T CB 0.989 69.819 68.868 -0.063 0.000 1.056 381 T HN 0.516 nan 8.240 nan 0.000 0.480 382 I N 2.300 122.861 120.570 -0.015 0.000 2.411 382 I HA 0.238 4.408 4.170 -0.001 0.000 0.284 382 I C -0.050 176.099 176.117 0.053 0.000 1.012 382 I CA -0.864 60.491 61.300 0.091 0.000 1.119 382 I CB 1.909 40.032 38.000 0.206 0.000 1.261 382 I HN 0.689 nan 8.210 nan 0.000 0.448 383 T N 7.279 121.885 114.554 0.087 0.000 2.743 383 T HA 0.285 4.635 4.350 -0.001 0.000 0.290 383 T C 0.386 175.133 174.700 0.079 0.000 0.908 383 T CA -0.252 61.885 62.100 0.061 0.000 1.092 383 T CB -0.110 68.792 68.868 0.056 0.000 0.882 383 T HN 0.297 nan 8.240 nan 0.000 0.531 384 L N 5.103 126.358 121.223 0.053 0.000 2.456 384 L HA 0.262 4.602 4.340 -0.001 0.000 0.277 384 L C 1.335 178.240 176.870 0.058 0.000 1.124 384 L CA -0.251 54.636 54.840 0.078 0.000 0.880 384 L CB -0.227 41.871 42.059 0.066 0.000 1.192 384 L HN 0.736 nan 8.230 nan 0.000 0.463 385 T N -0.391 114.200 114.554 0.062 0.000 2.807 385 T HA 0.633 4.983 4.350 -0.001 0.000 0.277 385 T C 0.956 175.680 174.700 0.041 0.000 1.006 385 T CA -0.087 62.038 62.100 0.042 0.000 1.006 385 T CB 1.723 70.613 68.868 0.037 0.000 1.274 385 T HN 0.404 nan 8.240 nan 0.000 0.569 386 A N 1.446 124.284 122.820 0.029 0.000 1.837 386 A HA -0.126 4.194 4.320 -0.001 0.000 0.216 386 A C 1.908 179.508 177.584 0.028 0.000 1.210 386 A CA 2.570 54.622 52.037 0.025 0.000 0.632 386 A CB -1.782 17.229 19.000 0.017 0.000 0.843 386 A HN 1.035 nan 8.150 nan 0.000 0.448 387 D N -0.079 120.334 120.400 0.022 0.000 2.116 387 D HA -0.162 4.478 4.640 -0.001 0.000 0.193 387 D C 1.596 177.914 176.300 0.028 0.000 0.998 387 D CA 1.683 55.696 54.000 0.021 0.000 0.836 387 D CB -1.135 39.666 40.800 0.002 0.000 0.951 387 D HN 0.202 nan 8.370 nan 0.000 0.449 388 V N 0.353 120.279 119.914 0.020 0.000 2.252 388 V HA -0.333 3.786 4.120 -0.001 0.000 0.249 388 V C 2.708 178.841 176.094 0.064 0.000 1.056 388 V CA 2.305 64.618 62.300 0.022 0.000 1.022 388 V CB -0.611 31.251 31.823 0.065 0.000 0.641 388 V HN 0.226 nan 8.190 nan 0.000 0.445 389 M N 0.616 120.257 119.600 0.067 0.000 2.175 389 M HA -0.148 4.331 4.480 -0.001 0.000 0.264 389 M C 2.413 178.725 176.300 0.019 0.000 1.063 389 M CA 2.083 57.420 55.300 0.061 0.000 1.119 389 M CB -0.450 32.188 32.600 0.065 0.000 1.377 389 M HN 0.602 nan 8.290 nan 0.000 0.415 390 S N -0.532 115.184 115.700 0.027 0.000 2.419 390 S HA -0.195 4.274 4.470 -0.001 0.000 0.233 390 S C 1.742 176.346 174.600 0.007 0.000 1.016 390 S CA 0.917 59.122 58.200 0.009 0.000 0.974 390 S CB -0.816 62.397 63.200 0.022 0.000 0.786 390 S HN 0.575 nan 8.310 nan 0.000 0.492 391 Y N 2.553 122.790 120.300 -0.106 0.000 2.114 391 Y HA 0.122 4.672 4.550 -0.001 0.000 0.284 391 Y C 2.065 177.863 175.900 -0.171 0.000 1.119 391 Y CA 1.268 59.284 58.100 -0.140 0.000 1.108 391 Y CB -0.524 37.801 38.460 -0.225 0.000 0.995 391 Y HN 0.171 nan 8.280 nan 0.000 0.491 392 I N 0.654 121.126 120.570 -0.164 0.000 2.530 392 I HA -0.313 3.856 4.170 -0.001 0.000 0.257 392 I C 2.261 178.173 176.117 -0.342 0.000 1.179 392 I CA 1.645 62.750 61.300 -0.325 0.000 1.440 392 I CB -0.542 37.343 38.000 -0.190 0.000 1.087 392 I HN 0.378 nan 8.210 nan 0.000 0.440 393 Q N 1.166 120.837 119.800 -0.216 0.000 2.084 393 Q HA -0.156 4.184 4.340 -0.001 0.000 0.202 393 Q C 2.254 178.125 176.000 -0.214 0.000 0.978 393 Q CA 2.292 57.985 55.803 -0.183 0.000 0.844 393 Q CB -0.059 28.618 28.738 -0.102 0.000 0.898 393 Q HN 0.394 nan 8.270 nan 0.000 0.426 394 S N -0.284 115.276 115.700 -0.234 0.000 2.377 394 S HA -0.057 4.412 4.470 -0.001 0.000 0.223 394 S C 1.771 176.199 174.600 -0.287 0.000 1.030 394 S CA 1.000 59.081 58.200 -0.198 0.000 0.970 394 S CB -0.345 62.769 63.200 -0.144 0.000 0.830 394 S HN 0.517 nan 8.310 nan 0.000 0.473 395 M N 1.398 120.699 119.600 -0.499 0.000 2.082 395 M HA -0.112 4.368 4.480 -0.001 0.000 0.258 395 M C 0.372 176.256 176.300 -0.693 0.000 1.071 395 M CA 1.619 56.442 55.300 -0.795 0.000 1.103 395 M CB -0.007 32.025 32.600 -0.947 0.000 1.307 395 M HN 0.279 nan 8.290 nan 0.000 0.409 396 N N -0.513 117.863 118.700 -0.541 0.000 2.932 396 N HA 0.068 4.808 4.740 -0.001 0.000 0.242 396 N C 0.407 175.711 175.510 -0.343 0.000 1.351 396 N CA 0.305 53.111 53.050 -0.407 0.000 0.785 396 N CB 0.863 39.104 38.487 -0.410 0.000 1.501 396 N HN 0.315 nan 8.380 nan 0.000 0.584 397 S N 0.937 116.481 115.700 -0.259 0.000 2.392 397 S HA -0.255 4.214 4.470 -0.001 0.000 0.232 397 S C 1.934 176.398 174.600 -0.227 0.000 1.041 397 S CA 1.877 59.946 58.200 -0.219 0.000 1.026 397 S CB -0.490 62.617 63.200 -0.155 0.000 0.845 397 S HN 0.629 nan 8.310 nan 0.000 0.465 398 S N 1.960 117.551 115.700 -0.183 0.000 2.469 398 S HA 0.056 4.525 4.470 -0.001 0.000 0.238 398 S C 1.765 176.163 174.600 -0.336 0.000 0.998 398 S CA 0.884 59.002 58.200 -0.137 0.000 0.957 398 S CB -0.925 62.294 63.200 0.032 0.000 0.764 398 S HN 0.630 nan 8.310 nan 0.000 0.514 399 I N 1.044 121.351 120.570 -0.439 0.000 2.179 399 I HA -0.147 4.023 4.170 -0.001 0.000 0.242 399 I C 2.403 177.833 176.117 -1.145 0.000 1.088 399 I CA 1.360 62.154 61.300 -0.844 0.000 1.357 399 I CB -0.481 36.995 38.000 -0.874 0.000 1.051 399 I HN 0.315 nan 8.210 nan 0.000 0.409 400 L N 0.281 121.059 121.223 -0.741 0.000 2.156 400 L HA -0.151 4.189 4.340 -0.001 0.000 0.208 400 L C 2.495 179.216 176.870 -0.249 0.000 1.095 400 L CA 1.022 55.592 54.840 -0.450 0.000 0.770 400 L CB -0.374 41.579 42.059 -0.177 0.000 0.914 400 L HN 0.222 nan 8.230 nan 0.000 0.439 401 E N 0.156 120.200 120.200 -0.260 0.000 2.031 401 E HA -0.248 4.101 4.350 -0.001 0.000 0.193 401 E C 1.665 178.187 176.600 -0.129 0.000 0.994 401 E CA 1.500 57.811 56.400 -0.149 0.000 0.800 401 E CB 0.114 29.731 29.700 -0.139 0.000 0.752 401 E HN 0.392 nan 8.360 nan 0.000 0.447 402 D N -0.358 119.893 120.400 -0.249 0.000 2.190 402 D HA -0.192 4.447 4.640 -0.001 0.000 0.200 402 D C 1.188 177.514 176.300 0.042 0.000 0.992 402 D CA 0.769 54.663 54.000 -0.177 0.000 0.854 402 D CB -0.238 40.352 40.800 -0.350 0.000 0.936 402 D HN 0.412 nan 8.370 nan 0.000 0.462 403 W N 1.433 122.688 121.300 -0.076 0.000 3.077 403 W HA 0.103 4.763 4.660 -0.001 0.000 0.245 403 W C 0.586 177.087 176.519 -0.030 0.000 1.316 403 W CA -0.326 56.994 57.345 -0.041 0.000 1.537 403 W CB -1.131 28.312 29.460 -0.028 0.000 1.131 403 W HN -0.081 nan 8.180 nan 0.000 0.695 439 K N 1.035 121.430 120.400 -0.008 0.000 2.253 439 K HA 0.261 4.580 4.320 -0.001 0.000 0.277 439 K C -0.815 175.769 176.600 -0.026 0.000 1.053 439 K CA -0.376 55.903 56.287 -0.013 0.000 0.892 439 K CB 0.446 32.932 32.500 -0.022 0.000 1.102 439 K HN 0.343 nan 8.250 nan 0.000 0.469 440 D N 4.799 125.191 120.400 -0.013 0.000 2.277 440 D HA 0.100 4.740 4.640 -0.001 0.000 0.249 440 D C -1.510 174.731 176.300 -0.098 0.000 1.134 440 D CA -1.822 52.157 54.000 -0.035 0.000 0.863 440 D CB 1.381 42.211 40.800 0.051 0.000 1.143 440 D HN 0.268 nan 8.370 nan 0.000 0.458 441 P HA -0.120 nan 4.420 nan 0.000 0.231 441 P C 0.331 177.482 177.300 -0.248 0.000 1.158 441 P CA 0.918 63.807 63.100 -0.352 0.000 0.763 441 P CB -0.099 31.257 31.700 -0.574 0.000 0.805 442 Y N -0.914 119.447 120.300 0.102 0.000 2.584 442 Y HA 0.159 4.709 4.550 -0.001 0.000 0.254 442 Y C 1.552 177.543 175.900 0.152 0.000 1.177 442 Y CA -0.617 57.591 58.100 0.180 0.000 1.216 442 Y CB -0.006 38.682 38.460 0.381 0.000 1.172 442 Y HN -0.143 nan 8.280 nan 0.000 0.529 443 D N 0.604 121.119 120.400 0.191 0.000 2.350 443 D HA -0.102 4.538 4.640 -0.001 0.000 0.216 443 D C 1.606 177.947 176.300 0.068 0.000 0.968 443 D CA 0.908 54.984 54.000 0.127 0.000 0.894 443 D CB 0.200 41.045 40.800 0.075 0.000 0.909 443 D HN 0.309 nan 8.370 nan 0.000 0.520 444 K N -0.022 120.409 120.400 0.051 0.000 2.361 444 K HA 0.099 4.419 4.320 -0.001 0.000 0.196 444 K C 0.982 177.544 176.600 -0.063 0.000 1.039 444 K CA 0.144 56.431 56.287 -0.001 0.000 1.001 444 K CB 0.621 33.120 32.500 -0.002 0.000 0.795 444 K HN 0.204 nan 8.250 nan 0.000 0.495 445 L N 1.634 122.788 121.223 -0.116 0.000 2.375 445 L HA 0.268 4.607 4.340 -0.001 0.000 0.268 445 L C 0.238 176.779 176.870 -0.547 0.000 1.058 445 L CA -1.026 53.598 54.840 -0.359 0.000 0.803 445 L CB 0.565 42.307 42.059 -0.529 0.000 1.212 445 L HN -0.272 nan 8.230 nan 0.000 0.451 446 K N 2.213 122.266 120.400 -0.580 0.000 2.227 446 K HA 0.595 4.914 4.320 -0.001 0.000 0.280 446 K C -0.999 175.286 176.600 -0.524 0.000 1.041 446 K CA 0.108 56.143 56.287 -0.420 0.000 0.905 446 K CB 0.964 33.341 32.500 -0.206 0.000 1.068 446 K HN 0.345 nan 8.250 nan 0.000 0.470 447 F N 0.392 120.374 119.950 0.054 0.000 2.626 447 F HA 0.275 4.802 4.527 -0.001 0.000 0.311 447 F C -0.374 175.503 175.800 0.129 0.000 1.088 447 F CA -1.270 56.783 58.000 0.089 0.000 0.949 447 F CB 1.655 40.737 39.000 0.137 0.000 1.322 447 F HN 0.374 nan 8.300 nan 0.000 0.461 448 W N 4.575 125.957 121.300 0.136 0.000 2.342 448 W HA 0.316 4.976 4.660 -0.001 0.000 0.310 448 W C -1.064 175.542 176.519 0.146 0.000 1.128 448 W CA -1.052 56.333 57.345 0.065 0.000 1.322 448 W CB 0.416 29.813 29.460 -0.106 0.000 1.251 448 W HN 0.420 nan 8.180 nan 0.000 0.439 449 N N 4.962 123.961 118.700 0.499 0.000 2.458 449 N HA 0.163 4.902 4.740 -0.001 0.000 0.270 449 N C -0.957 174.779 175.510 0.377 0.000 1.102 449 N CA -0.088 53.158 53.050 0.328 0.000 0.967 449 N CB 1.999 40.605 38.487 0.199 0.000 1.078 449 N HN 0.084 nan 8.380 nan 0.000 0.471 450 V N 2.172 122.223 119.914 0.228 0.000 2.313 450 V HA 0.085 4.204 4.120 -0.001 0.000 0.278 450 V C 0.177 176.305 176.094 0.056 0.000 1.017 450 V CA -0.902 61.486 62.300 0.146 0.000 0.823 450 V CB 1.413 33.271 31.823 0.058 0.000 1.010 450 V HN 0.523 nan 8.190 nan 0.000 0.443 451 D N 5.011 125.451 120.400 0.067 0.000 2.336 451 D HA 0.232 4.871 4.640 -0.001 0.000 0.249 451 D C 0.378 176.687 176.300 0.015 0.000 1.213 451 D CA -0.058 53.956 54.000 0.023 0.000 0.870 451 D CB 1.431 42.252 40.800 0.035 0.000 1.076 451 D HN 0.493 nan 8.370 nan 0.000 0.483 452 L N 3.986 125.195 121.223 -0.023 0.000 2.872 452 L HA 0.157 4.497 4.340 -0.001 0.000 0.245 452 L C 1.882 178.736 176.870 -0.026 0.000 1.211 452 L CA -0.163 54.692 54.840 0.025 0.000 1.013 452 L CB 0.247 42.346 42.059 0.066 0.000 1.326 452 L HN 0.192 nan 8.230 nan 0.000 0.525 453 K N 0.202 120.541 120.400 -0.102 0.000 2.217 453 K HA -0.052 4.267 4.320 -0.001 0.000 0.202 453 K C 0.957 177.501 176.600 -0.094 0.000 1.051 453 K CA 0.769 56.930 56.287 -0.211 0.000 0.952 453 K CB 0.245 32.664 32.500 -0.134 0.000 0.736 453 K HN 0.198 nan 8.250 nan 0.000 0.453 454 E N 0.668 120.878 120.200 0.017 0.000 2.419 454 E HA 0.034 4.383 4.350 -0.001 0.000 0.190 454 E C 0.430 177.118 176.600 0.146 0.000 1.040 454 E CA 0.261 56.714 56.400 0.088 0.000 0.900 454 E CB 0.573 30.323 29.700 0.083 0.000 1.054 454 E HN 0.197 nan 8.360 nan 0.000 0.462 455 K N 0.034 120.547 120.400 0.188 0.000 2.402 455 K HA 0.178 4.498 4.320 -0.001 0.000 0.204 455 K C 0.175 176.994 176.600 0.364 0.000 1.056 455 K CA -0.313 56.121 56.287 0.245 0.000 1.069 455 K CB 0.594 33.208 32.500 0.189 0.000 0.888 455 K HN -0.056 nan 8.250 nan 0.000 0.546 456 F N 1.740 121.732 119.950 0.069 0.000 2.471 456 F HA 0.183 4.709 4.527 -0.001 0.000 0.353 456 F C 0.959 176.950 175.800 0.317 0.000 1.113 456 F CA -0.343 57.745 58.000 0.147 0.000 1.262 456 F CB 1.121 40.134 39.000 0.021 0.000 1.146 456 F HN -0.236 nan 8.300 nan 0.000 0.578 457 S N 2.856 118.805 115.700 0.415 0.000 2.569 457 S HA 0.561 5.031 4.470 -0.001 0.000 0.280 457 S C 0.209 174.854 174.600 0.075 0.000 1.111 457 S CA -0.641 57.714 58.200 0.258 0.000 0.887 457 S CB 1.101 64.382 63.200 0.136 0.000 1.095 457 S HN 0.643 nan 8.310 nan 0.000 0.476 458 L N 1.662 122.864 121.223 -0.035 0.000 2.585 458 L HA 0.275 4.614 4.340 -0.001 0.000 0.226 458 L C -0.401 176.427 176.870 -0.070 0.000 1.113 458 L CA 0.228 54.906 54.840 -0.270 0.000 0.876 458 L CB 0.130 42.025 42.059 -0.273 0.000 1.072 458 L HN 0.622 nan 8.230 nan 0.000 0.468 459 D N -0.288 120.141 120.400 0.048 0.000 2.493 459 D HA 0.170 4.810 4.640 -0.001 0.000 0.235 459 D C 1.106 177.495 176.300 0.150 0.000 1.117 459 D CA -0.360 53.686 54.000 0.077 0.000 0.930 459 D CB 0.377 41.209 40.800 0.054 0.000 1.010 459 D HN -0.001 nan 8.370 nan 0.000 0.514 460 L N 0.386 121.693 121.223 0.140 0.000 2.079 460 L HA -0.172 4.168 4.340 -0.001 0.000 0.210 460 L C 1.900 178.885 176.870 0.191 0.000 1.081 460 L CA 1.417 56.374 54.840 0.195 0.000 0.752 460 L CB -0.501 41.676 42.059 0.198 0.000 0.896 460 L HN 0.317 nan 8.230 nan 0.000 0.433 461 D N -0.236 120.229 120.400 0.109 0.000 2.239 461 D HA -0.237 4.403 4.640 -0.001 0.000 0.202 461 D C 2.099 178.392 176.300 -0.011 0.000 0.993 461 D CA 1.010 55.040 54.000 0.050 0.000 0.874 461 D CB 0.131 40.945 40.800 0.023 0.000 0.922 461 D HN 0.260 nan 8.370 nan 0.000 0.464 462 Q N -0.978 118.788 119.800 -0.057 0.000 2.482 462 Q HA 0.007 4.347 4.340 -0.001 0.000 0.209 462 Q C -0.510 175.094 176.000 -0.660 0.000 0.961 462 Q CA 0.519 56.106 55.803 -0.359 0.000 0.945 462 Q CB 0.254 28.656 28.738 -0.560 0.000 1.012 462 Q HN 0.503 nan 8.270 nan 0.000 0.515 463 Y N -0.379 119.849 120.300 -0.120 0.000 2.499 463 Y HA 0.218 4.768 4.550 -0.001 0.000 0.347 463 Y C -1.519 174.390 175.900 0.015 0.000 0.987 463 Y CA -2.427 55.601 58.100 -0.120 0.000 1.044 463 Y CB 1.501 39.701 38.460 -0.433 0.000 1.245 463 Y HN -0.160 nan 8.280 nan 0.000 0.461 464 P HA -0.262 nan 4.420 nan 0.000 0.213 464 P C 1.695 179.092 177.300 0.161 0.000 1.176 464 P CA 1.665 64.839 63.100 0.123 0.000 0.919 464 P CB 0.564 32.315 31.700 0.085 0.000 0.791 465 L N -0.853 120.481 121.223 0.186 0.000 2.191 465 L HA -0.079 4.260 4.340 -0.001 0.000 0.212 465 L C 2.477 179.520 176.870 0.288 0.000 1.103 465 L CA 1.836 56.763 54.840 0.145 0.000 0.769 465 L CB -1.110 40.929 42.059 -0.033 0.000 0.908 465 L HN 0.042 nan 8.230 nan 0.000 0.438 466 G N -0.283 108.720 108.800 0.338 0.000 2.414 466 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.215 466 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.215 466 G C 1.587 176.642 174.900 0.258 0.000 1.188 466 G CA 0.448 45.738 45.100 0.317 0.000 0.783 466 G HN 0.326 nan 8.290 nan 0.000 0.537 467 R N 0.574 121.182 120.500 0.181 0.000 2.073 467 R HA 0.012 4.352 4.340 -0.001 0.000 0.234 467 R C 2.622 178.979 176.300 0.094 0.000 1.134 467 R CA 1.367 57.530 56.100 0.105 0.000 0.952 467 R CB -0.299 30.039 30.300 0.063 0.000 0.850 467 R HN 0.270 nan 8.270 nan 0.000 0.433 468 K N 0.201 120.695 120.400 0.157 0.000 2.074 468 K HA -0.206 4.114 4.320 -0.001 0.000 0.209 468 K C 1.918 178.599 176.600 0.136 0.000 1.048 468 K CA 1.659 58.065 56.287 0.197 0.000 0.926 468 K CB -0.354 32.340 32.500 0.324 0.000 0.713 468 K HN 0.089 nan 8.250 nan 0.000 0.444 469 F N 1.752 121.719 119.950 0.028 0.000 2.161 469 F HA -0.169 4.358 4.527 -0.001 0.000 0.300 469 F C 1.671 177.196 175.800 -0.458 0.000 1.089 469 F CA 1.312 59.042 58.000 -0.448 0.000 1.282 469 F CB -0.119 38.745 39.000 -0.227 0.000 1.010 469 F HN -0.081 nan 8.300 nan 0.000 0.485 470 L N -1.063 119.986 121.223 -0.291 0.000 2.156 470 L HA -0.150 4.190 4.340 -0.001 0.000 0.208 470 L C 2.310 178.973 176.870 -0.345 0.000 1.095 470 L CA 0.605 55.238 54.840 -0.344 0.000 0.770 470 L CB -0.606 41.397 42.059 -0.094 0.000 0.914 470 L HN -0.007 nan 8.230 nan 0.000 0.439 471 V N -0.371 119.394 119.914 -0.249 0.000 2.261 471 V HA -0.306 3.814 4.120 -0.001 0.000 0.246 471 V C 2.462 178.368 176.094 -0.313 0.000 1.047 471 V CA 1.875 64.050 62.300 -0.209 0.000 1.015 471 V CB -0.680 31.072 31.823 -0.118 0.000 0.642 471 V HN 0.526 nan 8.190 nan 0.000 0.446 472 Q N 0.423 119.955 119.800 -0.445 0.000 2.297 472 Q HA -0.189 4.151 4.340 -0.001 0.000 0.208 472 Q C 2.012 177.664 176.000 -0.581 0.000 0.981 472 Q CA 1.943 57.426 55.803 -0.533 0.000 0.876 472 Q CB -0.213 28.022 28.738 -0.839 0.000 0.921 472 Q HN 0.640 nan 8.270 nan 0.000 0.446 473 A N -0.851 121.547 122.820 -0.703 0.000 2.169 473 A HA 0.276 4.595 4.320 -0.001 0.000 0.212 473 A C 1.608 178.974 177.584 -0.363 0.000 1.153 473 A CA 1.370 53.027 52.037 -0.634 0.000 0.756 473 A CB -0.181 18.304 19.000 -0.857 0.000 0.813 473 A HN 0.594 nan 8.150 nan 0.000 0.471 474 G N -0.543 108.079 108.800 -0.297 0.000 2.956 474 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.210 474 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.210 474 G C 0.518 175.325 174.900 -0.154 0.000 1.316 474 G CA 0.013 44.999 45.100 -0.190 0.000 0.819 474 G HN 1.139 nan 8.290 nan 0.000 0.544 475 L N 0.000 121.130 121.223 -0.155 0.000 2.949 475 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 475 L CA 0.000 54.775 54.840 -0.108 0.000 0.813 475 L CB 0.000 42.009 42.059 -0.083 0.000 0.961 475 L HN 0.000 nan 8.230 nan 0.000 0.502