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 1bl6_1_A DATA FIRST_RESID 4 DATA SEQUENCE ERPTFYRQEL NKTIWEVPER YQNLSPVGSG AYGSVCAAFD TKTGLRVAVK DATA SEQUENCE KLSRPFQSII HAKRTYRELR LLKHMKHENV IGLLDVFTPA RSLEEFNDVY DATA SEQUENCE LVTHLMGADL NNIVKCQKLT DDHVQFLIYQ ILRGLKYIHS ADIIHRDLKP DATA SEQUENCE SNLAVNEDCE LKILDFGLAR HTDDEMTGYV ATRWYRAPEI MLNWMHYNQT DATA SEQUENCE VDIWSVGCIM AELLTGRTLF PGTDHIDQLK LILRLVGTPG AELLKKISSE DATA SEQUENCE SARNYIQSLT QMPKMNFANV FIGANPLAVD LLEKMLVLDS DKRITAAQAL DATA SEQUENCE AHAYFAQYHD PDDEPVADPY DQSFESRDLL IDEWKSLTYD EVISFVPPPL DATA SEQUENCE D 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 4 E HA 0.000 nan 4.350 nan 0.000 0.291 4 E C 0.000 176.628 176.600 0.047 0.000 1.382 4 E CA 0.000 56.416 56.400 0.027 0.000 0.976 4 E CB 0.000 29.709 29.700 0.016 0.000 0.812 5 R N 1.273 121.809 120.500 0.060 0.000 3.437 5 R HA 0.045 4.387 4.340 0.004 0.000 0.283 5 R C -2.850 173.511 176.300 0.101 0.000 0.746 5 R CA -0.117 56.048 56.100 0.107 0.000 0.984 5 R CB -1.001 29.361 30.300 0.105 0.000 1.520 5 R HN 0.263 nan 8.270 nan 0.000 0.443 6 P HA 0.276 nan 4.420 nan 0.000 0.275 6 P C -0.387 176.946 177.300 0.055 0.000 1.266 6 P CA -0.086 62.995 63.100 -0.031 0.000 0.793 6 P CB 0.584 32.157 31.700 -0.211 0.000 1.074 7 T N 1.094 115.640 114.554 -0.012 0.000 2.771 7 T HA 0.382 4.735 4.350 0.004 0.000 0.291 7 T C -0.089 174.641 174.700 0.050 0.000 0.954 7 T CA 0.130 62.289 62.100 0.098 0.000 1.045 7 T CB -0.255 68.644 68.868 0.052 0.000 0.917 7 T HN 0.113 nan 8.240 nan 0.000 0.484 8 F N 2.546 122.509 119.950 0.021 0.000 2.403 8 F HA 0.562 5.091 4.527 0.003 0.000 0.326 8 F C 0.032 175.919 175.800 0.146 0.000 1.081 8 F CA -1.322 56.693 58.000 0.026 0.000 1.041 8 F CB 0.947 39.930 39.000 -0.029 0.000 1.234 8 F HN 0.560 nan 8.300 nan 0.000 0.503 9 Y N -0.221 120.175 120.300 0.161 0.000 2.354 9 Y HA 0.612 5.164 4.550 0.002 0.000 0.330 9 Y C -0.446 175.539 175.900 0.142 0.000 1.011 9 Y CA -1.592 56.578 58.100 0.117 0.000 1.099 9 Y CB 0.767 39.263 38.460 0.060 0.000 1.179 9 Y HN 0.639 nan 8.280 nan 0.000 0.442 10 R N 3.245 123.855 120.500 0.183 0.000 2.679 10 R HA 0.430 4.773 4.340 0.004 0.000 0.269 10 R C -0.967 175.414 176.300 0.134 0.000 1.076 10 R CA 0.011 56.180 56.100 0.116 0.000 1.160 10 R CB 0.729 31.102 30.300 0.121 0.000 1.054 10 R HN 1.022 nan 8.270 nan 0.000 0.507 11 Q N 1.226 121.100 119.800 0.123 0.000 2.774 11 Q HA 0.053 4.395 4.340 0.004 0.000 0.232 11 Q C -2.056 174.043 176.000 0.166 0.000 0.985 11 Q CA -0.689 55.199 55.803 0.141 0.000 1.058 11 Q CB 0.763 29.589 28.738 0.148 0.000 1.789 11 Q HN 0.686 nan 8.270 nan 0.000 0.487 12 E N 4.347 124.630 120.200 0.139 0.000 2.197 12 E HA 0.574 4.927 4.350 0.004 0.000 0.281 12 E C -1.274 175.391 176.600 0.108 0.000 0.995 12 E CA -0.625 55.867 56.400 0.153 0.000 0.808 12 E CB 0.980 30.747 29.700 0.112 0.000 1.093 12 E HN 0.600 nan 8.360 nan 0.000 0.394 13 L N 4.345 125.645 121.223 0.129 0.000 2.409 13 L HA 0.335 4.678 4.340 0.004 0.000 0.272 13 L C -0.436 176.477 176.870 0.072 0.000 0.980 13 L CA -1.076 53.775 54.840 0.018 0.000 0.826 13 L CB 1.646 43.589 42.059 -0.194 0.000 1.268 13 L HN 0.649 nan 8.230 nan 0.000 0.407 14 N N 2.525 121.249 118.700 0.040 0.000 2.716 14 N HA -0.221 4.521 4.740 0.004 0.000 0.250 14 N C 0.083 175.638 175.510 0.075 0.000 1.033 14 N CA 1.110 54.189 53.050 0.049 0.000 0.727 14 N CB -0.932 37.581 38.487 0.044 0.000 0.950 14 N HN 0.746 nan 8.380 nan 0.000 0.541 15 K N -3.553 116.892 120.400 0.075 0.000 3.209 15 K HA -0.221 4.102 4.320 0.004 0.000 0.289 15 K C -0.697 175.958 176.600 0.093 0.000 1.191 15 K CA 1.584 57.914 56.287 0.072 0.000 0.851 15 K CB -1.740 30.787 32.500 0.045 0.000 1.242 15 K HN 0.478 nan 8.250 nan 0.000 0.480 16 T N 0.959 115.612 114.554 0.165 0.000 2.807 16 T HA 0.498 4.850 4.350 0.004 0.000 0.279 16 T C 0.039 174.915 174.700 0.293 0.000 0.993 16 T CA -0.871 61.345 62.100 0.194 0.000 0.970 16 T CB 1.617 70.679 68.868 0.323 0.000 0.950 16 T HN -0.018 nan 8.240 nan 0.000 0.441 17 I N 2.726 123.383 120.570 0.145 0.000 2.371 17 I HA 0.280 4.452 4.170 0.004 0.000 0.290 17 I C -0.818 175.403 176.117 0.174 0.000 1.028 17 I CA -1.214 60.198 61.300 0.187 0.000 1.345 17 I CB 0.518 38.575 38.000 0.095 0.000 1.407 17 I HN 0.698 nan 8.210 nan 0.000 0.501 18 W N 5.239 126.594 121.300 0.091 0.000 2.362 18 W HA 0.418 5.082 4.660 0.007 0.000 0.316 18 W C 0.400 176.925 176.519 0.010 0.000 1.024 18 W CA -0.570 56.858 57.345 0.138 0.000 1.270 18 W CB 0.889 30.400 29.460 0.085 0.000 1.273 18 W HN 0.432 nan 8.180 nan 0.000 0.424 19 E N 3.388 123.694 120.200 0.177 0.000 2.173 19 E HA 0.368 4.721 4.350 0.004 0.000 0.249 19 E C -0.661 175.981 176.600 0.069 0.000 0.923 19 E CA -0.357 56.102 56.400 0.099 0.000 0.754 19 E CB 0.723 30.504 29.700 0.135 0.000 1.177 19 E HN 0.368 nan 8.360 nan 0.000 0.430 20 V N 1.200 121.040 119.914 -0.122 0.000 2.919 20 V HA 0.724 4.846 4.120 0.004 0.000 0.316 20 V C -2.718 173.042 176.094 -0.557 0.000 1.077 20 V CA -2.887 59.206 62.300 -0.344 0.000 0.977 20 V CB 1.583 33.298 31.823 -0.181 0.000 1.039 20 V HN 0.360 nan 8.190 nan 0.000 0.441 21 P HA 0.198 nan 4.420 nan 0.000 0.270 21 P C 0.438 177.603 177.300 -0.224 0.000 1.223 21 P CA -0.046 62.518 63.100 -0.893 0.000 0.785 21 P CB 0.316 31.396 31.700 -1.034 0.000 0.923 22 E N 1.999 122.134 120.200 -0.109 0.000 2.338 22 E HA -0.198 4.155 4.350 0.004 0.000 0.197 22 E C 1.473 178.003 176.600 -0.117 0.000 1.007 22 E CA 0.523 56.926 56.400 0.004 0.000 0.849 22 E CB -0.506 29.138 29.700 -0.093 0.000 0.774 22 E HN 0.469 nan 8.360 nan 0.000 0.506 23 R N 0.718 121.026 120.500 -0.321 0.000 2.152 23 R HA -0.113 4.230 4.340 0.004 0.000 0.232 23 R C 0.016 176.035 176.300 -0.468 0.000 1.117 23 R CA 0.802 56.627 56.100 -0.458 0.000 0.981 23 R CB -0.591 29.299 30.300 -0.685 0.000 0.870 23 R HN 0.123 nan 8.270 nan 0.000 0.451 24 Y N 1.972 122.248 120.300 -0.041 0.000 2.350 24 Y HA 0.332 4.884 4.550 0.003 0.000 0.340 24 Y C 0.317 176.310 175.900 0.155 0.000 1.006 24 Y CA -0.690 57.423 58.100 0.022 0.000 1.166 24 Y CB 1.016 39.482 38.460 0.009 0.000 1.168 24 Y HN -0.013 nan 8.280 nan 0.000 0.502 25 Q N 1.688 121.655 119.800 0.278 0.000 2.458 25 Q HA 0.338 4.681 4.340 0.004 0.000 0.282 25 Q C -0.494 175.643 176.000 0.229 0.000 1.106 25 Q CA -1.026 54.929 55.803 0.254 0.000 0.814 25 Q CB 1.970 30.822 28.738 0.190 0.000 1.425 25 Q HN 0.729 nan 8.270 nan 0.000 0.437 26 N N 0.483 119.282 118.700 0.165 0.000 2.696 26 N HA -0.195 4.547 4.740 0.004 0.000 0.256 26 N C -0.912 174.641 175.510 0.072 0.000 1.031 26 N CA 0.313 53.422 53.050 0.100 0.000 0.730 26 N CB -1.208 37.326 38.487 0.078 0.000 0.894 26 N HN 0.370 nan 8.380 nan 0.000 0.544 27 L N 0.624 121.878 121.223 0.052 0.000 2.477 27 L HA 0.164 4.507 4.340 0.004 0.000 0.272 27 L C 0.857 177.655 176.870 -0.120 0.000 1.157 27 L CA 0.661 55.459 54.840 -0.069 0.000 0.889 27 L CB 1.001 42.968 42.059 -0.153 0.000 1.158 27 L HN 0.343 nan 8.230 nan 0.000 0.473 28 S N 5.659 121.276 115.700 -0.138 0.000 2.707 28 S HA 0.627 5.100 4.470 0.004 0.000 0.303 28 S C -2.643 171.862 174.600 -0.157 0.000 1.132 28 S CA -1.492 56.635 58.200 -0.120 0.000 1.046 28 S CB 1.264 64.431 63.200 -0.055 0.000 1.004 28 S HN 0.285 nan 8.310 nan 0.000 0.483 29 P HA 0.016 nan 4.420 nan 0.000 0.263 29 P C -0.295 176.959 177.300 -0.078 0.000 1.175 29 P CA 0.122 63.133 63.100 -0.149 0.000 0.761 29 P CB 0.662 32.300 31.700 -0.102 0.000 0.794 30 V N 2.918 122.800 119.914 -0.053 0.000 2.967 30 V HA 0.477 4.600 4.120 0.004 0.000 0.364 30 V C 0.113 176.214 176.094 0.013 0.000 1.373 30 V CA 0.607 62.898 62.300 -0.015 0.000 1.193 30 V CB -0.105 31.712 31.823 -0.010 0.000 1.236 30 V HN 0.904 nan 8.190 nan 0.000 0.582 31 G N 1.443 110.252 108.800 0.015 0.000 3.445 31 G HA2 -0.046 3.917 3.960 0.004 0.000 0.686 31 G HA3 -0.046 3.917 3.960 0.004 0.000 0.686 31 G C -0.296 174.625 174.900 0.035 0.000 1.113 31 G CA -0.078 45.042 45.100 0.034 0.000 0.974 31 G HN 1.237 nan 8.290 nan 0.000 0.492 32 S N 2.010 117.725 115.700 0.024 0.000 2.461 32 S HA 0.805 5.278 4.470 0.004 0.000 0.322 32 S C 0.934 175.525 174.600 -0.015 0.000 1.063 32 S CA 0.331 58.520 58.200 -0.018 0.000 1.120 32 S CB 1.619 64.822 63.200 0.005 0.000 0.968 32 S HN 1.932 nan 8.310 nan 0.000 0.467 33 G N 1.539 110.308 108.800 -0.051 0.000 2.557 33 G HA2 0.568 4.531 3.960 0.004 0.000 0.292 33 G HA3 0.568 4.531 3.960 0.004 0.000 0.292 33 G C 0.978 175.896 174.900 0.030 0.000 1.237 33 G CA -0.567 44.624 45.100 0.152 0.000 0.978 33 G HN 1.045 nan 8.290 nan 0.000 0.498 34 A N -0.778 122.140 122.820 0.164 0.000 1.969 34 A HA 0.009 4.331 4.320 0.004 0.000 0.218 34 A C 2.036 179.661 177.584 0.069 0.000 1.169 34 A CA 2.052 54.136 52.037 0.079 0.000 0.635 34 A CB -0.758 18.296 19.000 0.090 0.000 0.810 34 A HN 0.936 nan 8.150 nan 0.000 0.445 35 Y N -1.138 119.135 120.300 -0.046 0.000 2.200 35 Y HA 0.358 4.911 4.550 0.005 0.000 0.290 35 Y C 0.899 176.741 175.900 -0.095 0.000 1.137 35 Y CA 0.010 58.072 58.100 -0.062 0.000 1.163 35 Y CB -1.046 37.375 38.460 -0.064 0.000 0.988 35 Y HN 0.345 nan 8.280 nan 0.000 0.518 36 G N -0.761 107.492 108.800 -0.912 0.000 2.556 36 G HA2 0.352 4.315 3.960 0.004 0.000 0.294 36 G HA3 0.352 4.315 3.960 0.004 0.000 0.294 36 G C -1.692 172.841 174.900 -0.613 0.000 1.516 36 G CA -0.571 44.109 45.100 -0.700 0.000 0.824 36 G HN 0.175 nan 8.290 nan 0.000 0.535 37 S N -0.932 114.571 115.700 -0.329 0.000 2.548 37 S HA 0.602 5.075 4.470 0.004 0.000 0.277 37 S C 0.262 174.933 174.600 0.118 0.000 1.315 37 S CA -0.347 57.821 58.200 -0.053 0.000 1.050 37 S CB 0.826 64.089 63.200 0.104 0.000 0.918 37 S HN 0.695 nan 8.310 nan 0.000 0.497 38 V N 3.859 123.862 119.914 0.148 0.000 2.769 38 V HA 0.618 4.741 4.120 0.004 0.000 0.312 38 V C -0.219 175.910 176.094 0.059 0.000 1.061 38 V CA -0.673 61.725 62.300 0.164 0.000 0.931 38 V CB 1.791 33.652 31.823 0.063 0.000 1.010 38 V HN 0.972 nan 8.190 nan 0.000 0.433 39 C N 2.336 121.621 119.300 -0.025 0.000 2.888 39 C HA 0.869 5.332 4.460 0.004 0.000 0.308 39 C C 0.260 175.190 174.990 -0.100 0.000 1.213 39 C CA -0.640 58.235 59.018 -0.238 0.000 1.461 39 C CB 1.538 28.863 27.740 -0.691 0.000 1.934 39 C HN 1.062 nan 8.230 nan 0.000 0.474 40 A N 1.899 124.667 122.820 -0.086 0.000 2.312 40 A HA 0.989 5.311 4.320 0.004 0.000 0.328 40 A C -0.314 177.269 177.584 -0.001 0.000 1.158 40 A CA 0.193 52.221 52.037 -0.015 0.000 0.821 40 A CB 0.978 19.980 19.000 0.004 0.000 1.170 40 A HN 1.821 nan 8.150 nan 0.000 0.490 41 A N 0.502 123.361 122.820 0.064 0.000 2.599 41 A HA 0.674 4.997 4.320 0.004 0.000 0.290 41 A C -1.598 176.121 177.584 0.225 0.000 1.101 41 A CA -0.467 51.649 52.037 0.132 0.000 0.674 41 A CB 0.619 19.696 19.000 0.129 0.000 1.277 41 A HN 1.643 nan 8.150 nan 0.000 0.419 42 F N 1.273 121.284 119.950 0.102 0.000 2.427 42 F HA 0.591 5.120 4.527 0.004 0.000 0.346 42 F C -0.368 175.503 175.800 0.118 0.000 1.120 42 F CA -0.774 57.279 58.000 0.088 0.000 1.033 42 F CB 1.419 40.447 39.000 0.046 0.000 1.126 42 F HN 0.543 nan 8.300 nan 0.000 0.462 43 D N 4.073 124.142 120.400 -0.551 0.000 2.456 43 D HA 0.113 4.756 4.640 0.004 0.000 0.219 43 D C 1.265 177.052 176.300 -0.855 0.000 1.126 43 D CA 0.104 53.817 54.000 -0.478 0.000 0.890 43 D CB 1.056 41.752 40.800 -0.173 0.000 1.025 43 D HN 0.678 nan 8.370 nan 0.000 0.511 44 T N 1.641 115.786 114.554 -0.681 0.000 2.778 44 T HA -0.231 4.121 4.350 0.004 0.000 0.269 44 T C 1.468 175.982 174.700 -0.309 0.000 1.050 44 T CA 0.896 62.729 62.100 -0.445 0.000 1.137 44 T CB -0.106 68.676 68.868 -0.143 0.000 0.860 44 T HN 0.263 nan 8.240 nan 0.000 0.468 45 K N 1.167 121.381 120.400 -0.311 0.000 2.155 45 K HA 0.004 4.327 4.320 0.004 0.000 0.203 45 K C 2.643 179.150 176.600 -0.155 0.000 1.052 45 K CA 1.699 57.863 56.287 -0.205 0.000 0.948 45 K CB -0.610 31.767 32.500 -0.205 0.000 0.728 45 K HN 0.765 nan 8.250 nan 0.000 0.448 46 T N -3.731 110.713 114.554 -0.185 0.000 3.015 46 T HA 0.238 4.590 4.350 0.004 0.000 0.250 46 T C 1.483 176.127 174.700 -0.092 0.000 1.057 46 T CA 0.784 62.820 62.100 -0.107 0.000 1.066 46 T CB 0.500 69.319 68.868 -0.082 0.000 0.959 46 T HN 0.293 nan 8.240 nan 0.000 0.488 47 G N 1.416 110.095 108.800 -0.202 0.000 2.175 47 G HA2 -0.176 3.787 3.960 0.004 0.000 0.244 47 G HA3 -0.176 3.787 3.960 0.004 0.000 0.244 47 G C -0.086 174.813 174.900 -0.000 0.000 0.982 47 G CA 0.136 45.185 45.100 -0.086 0.000 0.641 47 G HN 0.654 nan 8.290 nan 0.000 0.527 48 L N -0.111 121.061 121.223 -0.085 0.000 2.399 48 L HA 0.706 5.049 4.340 0.004 0.000 0.266 48 L C 0.946 177.851 176.870 0.058 0.000 1.114 48 L CA -1.140 53.724 54.840 0.041 0.000 0.804 48 L CB 0.894 42.980 42.059 0.044 0.000 1.146 48 L HN 0.137 nan 8.230 nan 0.000 0.451 49 R N 1.271 121.876 120.500 0.174 0.000 2.308 49 R HA 0.531 4.874 4.340 0.004 0.000 0.305 49 R C -0.867 175.502 176.300 0.117 0.000 1.053 49 R CA -0.368 55.854 56.100 0.202 0.000 0.957 49 R CB 0.946 31.363 30.300 0.194 0.000 1.022 49 R HN 0.504 nan 8.270 nan 0.000 0.461 50 V N 0.570 120.541 119.914 0.096 0.000 3.158 50 V HA 0.943 5.065 4.120 0.004 0.000 0.315 50 V C -0.708 175.411 176.094 0.042 0.000 1.148 50 V CA -1.141 61.190 62.300 0.053 0.000 1.042 50 V CB 1.907 33.748 31.823 0.030 0.000 1.101 50 V HN 0.812 nan 8.190 nan 0.000 0.448 51 A N 1.103 123.937 122.820 0.023 0.000 2.287 51 A HA 0.811 5.133 4.320 0.004 0.000 0.317 51 A C -0.714 176.874 177.584 0.006 0.000 1.220 51 A CA -0.589 51.463 52.037 0.025 0.000 0.835 51 A CB 1.179 20.206 19.000 0.044 0.000 1.180 51 A HN 1.267 nan 8.150 nan 0.000 0.500 52 V N 3.621 123.556 119.914 0.035 0.000 2.334 52 V HA 0.344 4.467 4.120 0.004 0.000 0.281 52 V C 0.184 176.425 176.094 0.244 0.000 1.016 52 V CA -0.628 61.726 62.300 0.090 0.000 0.832 52 V CB 1.250 33.154 31.823 0.134 0.000 0.999 52 V HN 0.861 nan 8.190 nan 0.000 0.439 53 K N 4.548 124.998 120.400 0.082 0.000 2.211 53 K HA 0.401 4.724 4.320 0.004 0.000 0.275 53 K C -0.344 176.112 176.600 -0.239 0.000 1.024 53 K CA -0.647 55.639 56.287 -0.002 0.000 0.887 53 K CB 1.076 33.534 32.500 -0.070 0.000 1.084 53 K HN 0.624 nan 8.250 nan 0.000 0.463 54 K N 6.826 126.940 120.400 -0.476 0.000 2.292 54 K HA 0.210 4.533 4.320 0.004 0.000 0.270 54 K C -0.409 175.755 176.600 -0.726 0.000 1.062 54 K CA -0.501 55.173 56.287 -1.022 0.000 0.916 54 K CB 0.503 32.001 32.500 -1.670 0.000 1.166 54 K HN 0.602 nan 8.250 nan 0.000 0.458 55 L N 4.006 124.850 121.223 -0.632 0.000 2.455 55 L HA -0.024 4.319 4.340 0.004 0.000 0.272 55 L C 1.526 178.101 176.870 -0.491 0.000 1.174 55 L CA -0.294 54.262 54.840 -0.473 0.000 0.869 55 L CB 1.028 42.847 42.059 -0.401 0.000 1.130 55 L HN 0.846 nan 8.230 nan 0.000 0.474 56 S N 3.646 119.111 115.700 -0.392 0.000 2.436 56 S HA -0.119 4.354 4.470 0.004 0.000 0.215 56 S C 0.667 175.069 174.600 -0.329 0.000 1.047 56 S CA 0.872 58.870 58.200 -0.337 0.000 1.086 56 S CB -0.197 62.850 63.200 -0.254 0.000 1.072 56 S HN 0.679 nan 8.310 nan 0.000 0.411 57 R N 1.992 122.306 120.500 -0.310 0.000 2.505 57 R HA 0.331 4.674 4.340 0.004 0.000 0.284 57 R C -2.623 173.448 176.300 -0.383 0.000 1.324 57 R CA -1.845 54.067 56.100 -0.313 0.000 1.432 57 R CB 0.629 30.765 30.300 -0.273 0.000 1.107 57 R HN 0.316 nan 8.270 nan 0.000 0.587 58 P HA -0.099 nan 4.420 nan 0.000 0.221 58 P C -0.057 176.701 177.300 -0.903 0.000 1.150 58 P CA 1.031 63.608 63.100 -0.872 0.000 0.800 58 P CB 0.142 31.029 31.700 -1.356 0.000 0.787 59 F N -0.429 119.471 119.950 -0.083 0.000 2.835 59 F HA 0.282 4.812 4.527 0.004 0.000 0.342 59 F C 1.583 177.364 175.800 -0.030 0.000 1.202 59 F CA -0.680 57.303 58.000 -0.027 0.000 1.240 59 F CB -0.786 38.183 39.000 -0.051 0.000 1.005 59 F HN -0.122 nan 8.300 nan 0.000 0.507 60 Q N 0.469 120.270 119.800 0.003 0.000 2.466 60 Q HA 0.204 4.547 4.340 0.004 0.000 0.210 60 Q C 0.363 176.381 176.000 0.030 0.000 0.961 60 Q CA 0.487 56.262 55.803 -0.046 0.000 0.953 60 Q CB 0.199 28.809 28.738 -0.213 0.000 1.011 60 Q HN 0.261 nan 8.270 nan 0.000 0.516 61 S N -1.530 114.257 115.700 0.145 0.000 2.622 61 S HA 0.216 4.689 4.470 0.004 0.000 0.275 61 S C 0.200 174.926 174.600 0.211 0.000 1.112 61 S CA -0.904 57.414 58.200 0.196 0.000 0.837 61 S CB 0.056 63.443 63.200 0.313 0.000 1.082 61 S HN 0.112 nan 8.310 nan 0.000 0.456 62 I N 1.901 122.580 120.570 0.183 0.000 2.286 62 I HA -0.153 4.019 4.170 0.004 0.000 0.248 62 I C 2.340 178.497 176.117 0.067 0.000 1.115 62 I CA 1.976 63.399 61.300 0.205 0.000 1.392 62 I CB -1.081 37.051 38.000 0.221 0.000 1.065 62 I HN 0.771 nan 8.210 nan 0.000 0.418 63 I N -1.086 119.504 120.570 0.033 0.000 2.353 63 I HA -0.224 3.948 4.170 0.004 0.000 0.248 63 I C 2.488 178.532 176.117 -0.122 0.000 1.119 63 I CA 1.560 62.815 61.300 -0.076 0.000 1.417 63 I CB -0.977 36.944 38.000 -0.133 0.000 1.078 63 I HN 0.094 nan 8.210 nan 0.000 0.421 64 H N 1.638 120.710 119.070 0.004 0.000 2.326 64 H HA 0.085 4.643 4.556 0.005 0.000 0.301 64 H C 2.536 177.830 175.328 -0.058 0.000 1.081 64 H CA 1.779 57.810 56.048 -0.028 0.000 1.334 64 H CB -0.234 29.502 29.762 -0.043 0.000 1.385 64 H HN 0.393 nan 8.280 nan 0.000 0.504 65 A N 0.933 123.837 122.820 0.139 0.000 1.948 65 A HA -0.276 4.046 4.320 0.004 0.000 0.220 65 A C 2.136 179.684 177.584 -0.060 0.000 1.177 65 A CA 2.110 54.282 52.037 0.224 0.000 0.636 65 A CB -0.477 18.757 19.000 0.389 0.000 0.815 65 A HN 0.408 nan 8.150 nan 0.000 0.449 66 K N -0.723 119.420 120.400 -0.428 0.000 2.167 66 K HA -0.041 4.281 4.320 0.004 0.000 0.203 66 K C 2.264 178.700 176.600 -0.274 0.000 1.052 66 K CA 0.932 56.734 56.287 -0.808 0.000 0.956 66 K CB -0.143 31.801 32.500 -0.926 0.000 0.735 66 K HN 0.436 nan 8.250 nan 0.000 0.451 67 R N 0.026 120.441 120.500 -0.143 0.000 2.075 67 R HA -0.090 4.253 4.340 0.004 0.000 0.232 67 R C 1.704 177.972 176.300 -0.054 0.000 1.126 67 R CA 1.976 58.030 56.100 -0.076 0.000 0.963 67 R CB -0.334 29.911 30.300 -0.091 0.000 0.858 67 R HN 0.171 nan 8.270 nan 0.000 0.435 68 T N 0.328 114.858 114.554 -0.041 0.000 2.652 68 T HA -0.230 4.122 4.350 0.004 0.000 0.267 68 T C 1.424 176.143 174.700 0.032 0.000 1.039 68 T CA 1.758 63.840 62.100 -0.030 0.000 1.153 68 T CB -0.602 68.224 68.868 -0.070 0.000 0.863 68 T HN 0.369 nan 8.240 nan 0.000 0.428 69 Y N 2.284 122.579 120.300 -0.009 0.000 2.114 69 Y HA -0.199 4.354 4.550 0.004 0.000 0.282 69 Y C 2.702 178.534 175.900 -0.114 0.000 1.165 69 Y CA 1.764 59.857 58.100 -0.012 0.000 1.148 69 Y CB -0.343 38.115 38.460 -0.004 0.000 0.972 69 Y HN 0.012 nan 8.280 nan 0.000 0.504 70 R N 0.416 120.843 120.500 -0.122 0.000 2.083 70 R HA -0.239 4.104 4.340 0.004 0.000 0.237 70 R C 2.371 178.593 176.300 -0.129 0.000 1.137 70 R CA 2.072 58.130 56.100 -0.071 0.000 0.951 70 R CB -0.509 29.875 30.300 0.141 0.000 0.851 70 R HN 0.578 nan 8.270 nan 0.000 0.434 71 E N 0.056 120.189 120.200 -0.113 0.000 2.077 71 E HA -0.206 4.147 4.350 0.004 0.000 0.193 71 E C 1.991 178.500 176.600 -0.153 0.000 0.989 71 E CA 1.088 57.416 56.400 -0.121 0.000 0.800 71 E CB -0.048 29.599 29.700 -0.089 0.000 0.746 71 E HN 0.279 nan 8.360 nan 0.000 0.452 72 L N 1.301 122.423 121.223 -0.168 0.000 2.056 72 L HA -0.126 4.216 4.340 0.004 0.000 0.207 72 L C 2.235 178.998 176.870 -0.178 0.000 1.078 72 L CA 1.601 56.347 54.840 -0.157 0.000 0.749 72 L CB -0.428 41.563 42.059 -0.113 0.000 0.901 72 L HN 0.017 nan 8.230 nan 0.000 0.433 73 R N -0.682 119.626 120.500 -0.319 0.000 2.081 73 R HA -0.116 4.227 4.340 0.004 0.000 0.235 73 R C 2.130 178.418 176.300 -0.021 0.000 1.131 73 R CA 1.170 57.114 56.100 -0.259 0.000 0.960 73 R CB -1.138 28.806 30.300 -0.594 0.000 0.856 73 R HN 0.317 nan 8.270 nan 0.000 0.436 74 L N 0.685 121.851 121.223 -0.095 0.000 1.994 74 L HA -0.138 4.204 4.340 0.004 0.000 0.208 74 L C 2.247 178.980 176.870 -0.229 0.000 1.071 74 L CA 1.510 56.216 54.840 -0.222 0.000 0.745 74 L CB -1.119 40.750 42.059 -0.317 0.000 0.892 74 L HN 0.095 nan 8.230 nan 0.000 0.431 75 L N -0.358 120.753 121.223 -0.187 0.000 2.131 75 L HA -0.191 4.151 4.340 0.004 0.000 0.210 75 L C 2.482 179.341 176.870 -0.018 0.000 1.092 75 L CA 1.505 56.269 54.840 -0.126 0.000 0.759 75 L CB -0.949 41.044 42.059 -0.109 0.000 0.903 75 L HN 0.286 nan 8.230 nan 0.000 0.435 76 K N -1.814 118.601 120.400 0.025 0.000 2.148 76 K HA -0.165 4.158 4.320 0.004 0.000 0.204 76 K C 2.063 178.764 176.600 0.168 0.000 1.050 76 K CA 0.780 57.151 56.287 0.139 0.000 0.942 76 K CB -0.097 32.492 32.500 0.148 0.000 0.724 76 K HN 0.423 nan 8.250 nan 0.000 0.446 77 H N -0.372 118.723 119.070 0.043 0.000 2.448 77 H HA 0.090 4.648 4.556 0.004 0.000 0.292 77 H C 0.181 175.561 175.328 0.087 0.000 1.035 77 H CA 0.256 56.346 56.048 0.070 0.000 1.349 77 H CB 0.425 30.215 29.762 0.047 0.000 1.425 77 H HN -0.012 nan 8.280 nan 0.000 0.539 78 M N 2.337 121.989 119.600 0.087 0.000 2.513 78 M HA 0.017 4.500 4.480 0.004 0.000 0.341 78 M C -0.315 176.023 176.300 0.062 0.000 1.689 78 M CA 0.861 56.235 55.300 0.123 0.000 1.202 78 M CB -0.318 32.291 32.600 0.016 0.000 1.996 78 M HN 0.068 nan 8.290 nan 0.000 0.458 79 K N 3.037 123.460 120.400 0.039 0.000 2.753 79 K HA 0.346 4.669 4.320 0.004 0.000 0.185 79 K C -1.040 175.386 176.600 -0.290 0.000 1.071 79 K CA -0.341 55.907 56.287 -0.065 0.000 0.999 79 K CB 1.111 33.612 32.500 0.003 0.000 1.244 79 K HN 0.638 nan 8.250 nan 0.000 0.594 80 H N -0.444 118.323 119.070 -0.505 0.000 2.996 80 H HA 0.142 4.701 4.556 0.004 0.000 0.368 80 H C 0.316 175.459 175.328 -0.309 0.000 1.185 80 H CA -0.524 55.172 56.048 -0.586 0.000 1.160 80 H CB 1.559 30.642 29.762 -1.132 0.000 1.820 80 H HN 0.298 nan 8.280 nan 0.000 0.547 81 E N 1.943 121.923 120.200 -0.367 0.000 2.209 81 E HA -0.179 4.174 4.350 0.004 0.000 0.196 81 E C 0.257 176.830 176.600 -0.044 0.000 0.993 81 E CA 1.327 57.612 56.400 -0.192 0.000 0.819 81 E CB 0.017 29.580 29.700 -0.228 0.000 0.745 81 E HN 0.567 nan 8.360 nan 0.000 0.477 82 N N -0.019 118.810 118.700 0.216 0.000 2.235 82 N HA 0.086 4.829 4.740 0.004 0.000 0.209 82 N C -1.090 174.411 175.510 -0.015 0.000 1.122 82 N CA -0.182 52.908 53.050 0.067 0.000 0.845 82 N CB 1.182 39.678 38.487 0.015 0.000 1.004 82 N HN -0.151 nan 8.380 nan 0.000 0.499 83 V N 0.992 120.913 119.914 0.011 0.000 2.876 83 V HA 0.303 4.425 4.120 0.004 0.000 0.312 83 V C 0.019 176.153 176.094 0.067 0.000 1.085 83 V CA -1.250 61.072 62.300 0.037 0.000 0.945 83 V CB 2.646 34.498 31.823 0.048 0.000 1.017 83 V HN 0.129 nan 8.190 nan 0.000 0.428 84 I N 2.820 123.473 120.570 0.138 0.000 2.752 84 I HA 0.395 4.567 4.170 0.004 0.000 0.289 84 I C 0.698 176.877 176.117 0.102 0.000 1.197 84 I CA 0.793 62.168 61.300 0.126 0.000 1.432 84 I CB 0.302 38.399 38.000 0.161 0.000 1.359 84 I HN 0.793 nan 8.210 nan 0.000 0.571 85 G N 7.391 116.263 108.800 0.119 0.000 2.511 85 G HA2 0.478 4.441 3.960 0.004 0.000 0.318 85 G HA3 0.478 4.441 3.960 0.004 0.000 0.318 85 G C -1.182 173.784 174.900 0.110 0.000 1.210 85 G CA -0.837 44.333 45.100 0.116 0.000 0.969 85 G HN 0.616 nan 8.290 nan 0.000 0.484 86 L N 2.086 123.366 121.223 0.095 0.000 2.255 86 L HA 0.314 4.656 4.340 0.004 0.000 0.289 86 L C 0.953 177.890 176.870 0.111 0.000 1.046 86 L CA -0.515 54.344 54.840 0.032 0.000 0.816 86 L CB 1.247 43.293 42.059 -0.022 0.000 1.197 86 L HN 0.544 nan 8.230 nan 0.000 0.427 87 L N 2.897 124.134 121.223 0.025 0.000 2.209 87 L HA 0.066 4.409 4.340 0.004 0.000 0.207 87 L C 0.035 177.008 176.870 0.172 0.000 1.094 87 L CA 0.816 55.702 54.840 0.077 0.000 0.790 87 L CB 0.187 42.194 42.059 -0.087 0.000 0.932 87 L HN 0.674 nan 8.230 nan 0.000 0.447 88 D N -2.380 117.958 120.400 -0.103 0.000 2.728 88 D HA 0.320 4.963 4.640 0.004 0.000 0.249 88 D C -1.700 174.337 176.300 -0.439 0.000 1.225 88 D CA -0.238 53.633 54.000 -0.215 0.000 0.748 88 D CB 1.886 42.831 40.800 0.241 0.000 1.326 88 D HN -0.251 nan 8.370 nan 0.000 0.426 89 V N 2.413 122.063 119.914 -0.439 0.000 2.932 89 V HA 0.948 5.071 4.120 0.004 0.000 0.307 89 V C -1.738 174.366 176.094 0.016 0.000 1.147 89 V CA -0.425 61.688 62.300 -0.311 0.000 0.951 89 V CB 1.340 32.925 31.823 -0.396 0.000 1.031 89 V HN 0.684 nan 8.190 nan 0.000 0.426 90 F N 2.125 122.127 119.950 0.087 0.000 2.773 90 F HA 0.895 5.424 4.527 0.004 0.000 0.314 90 F C -0.916 175.080 175.800 0.326 0.000 1.160 90 F CA -0.367 57.748 58.000 0.191 0.000 0.920 90 F CB 1.554 40.674 39.000 0.200 0.000 1.323 90 F HN 0.655 nan 8.300 nan 0.000 0.457 91 T N 1.229 116.192 114.554 0.683 0.000 2.956 91 T HA 0.494 4.847 4.350 0.004 0.000 0.312 91 T C -2.409 172.508 174.700 0.361 0.000 1.151 91 T CA -1.673 60.782 62.100 0.590 0.000 1.024 91 T CB 1.995 71.211 68.868 0.580 0.000 1.140 91 T HN 0.548 nan 8.240 nan 0.000 0.473 92 P HA 0.130 nan 4.420 nan 0.000 0.221 92 P C 0.477 177.584 177.300 -0.322 0.000 1.150 92 P CA 0.243 63.014 63.100 -0.550 0.000 0.800 92 P CB -0.227 31.335 31.700 -0.230 0.000 0.787 93 A N 1.072 123.908 122.820 0.026 0.000 2.546 93 A HA -0.000 4.322 4.320 0.004 0.000 0.243 93 A C 1.296 178.942 177.584 0.104 0.000 1.063 93 A CA 0.036 52.138 52.037 0.108 0.000 0.757 93 A CB -0.184 18.994 19.000 0.297 0.000 0.991 93 A HN 0.132 nan 8.150 nan 0.000 0.503 94 R N 1.300 121.835 120.500 0.059 0.000 2.280 94 R HA 0.095 4.437 4.340 0.004 0.000 0.195 94 R C 0.446 176.818 176.300 0.121 0.000 0.935 94 R CA 0.908 57.052 56.100 0.073 0.000 1.033 94 R CB 0.019 30.338 30.300 0.031 0.000 0.964 94 R HN 0.787 nan 8.270 nan 0.000 0.489 95 S N -0.675 115.088 115.700 0.105 0.000 2.588 95 S HA 0.180 4.652 4.470 0.004 0.000 0.275 95 S C 0.332 174.842 174.600 -0.150 0.000 1.130 95 S CA -0.956 57.266 58.200 0.037 0.000 0.855 95 S CB 1.878 65.078 63.200 -0.001 0.000 1.116 95 S HN 0.041 nan 8.310 nan 0.000 0.472 96 L N 1.282 122.228 121.223 -0.463 0.000 2.265 96 L HA 0.142 4.485 4.340 0.004 0.000 0.215 96 L C 1.915 178.620 176.870 -0.276 0.000 1.117 96 L CA 1.967 56.317 54.840 -0.817 0.000 0.782 96 L CB -1.140 40.482 42.059 -0.728 0.000 0.914 96 L HN 0.851 nan 8.230 nan 0.000 0.441 97 E N 0.504 120.610 120.200 -0.156 0.000 2.072 97 E HA -0.212 4.141 4.350 0.004 0.000 0.191 97 E C 1.894 178.466 176.600 -0.046 0.000 0.985 97 E CA 1.756 58.106 56.400 -0.083 0.000 0.801 97 E CB -0.178 29.489 29.700 -0.056 0.000 0.750 97 E HN 0.824 nan 8.360 nan 0.000 0.452 98 E N -0.131 120.061 120.200 -0.013 0.000 2.474 98 E HA 0.014 4.367 4.350 0.004 0.000 0.195 98 E C -0.096 176.549 176.600 0.074 0.000 1.039 98 E CA -0.413 55.997 56.400 0.017 0.000 0.881 98 E CB -0.155 29.558 29.700 0.022 0.000 0.970 98 E HN 0.103 nan 8.360 nan 0.000 0.486 99 F N 2.988 122.887 119.950 -0.085 0.000 2.546 99 F HA 0.037 4.566 4.527 0.004 0.000 0.388 99 F C 0.617 176.453 175.800 0.061 0.000 1.051 99 F CA 0.063 58.060 58.000 -0.004 0.000 1.130 99 F CB 0.204 39.114 39.000 -0.151 0.000 1.044 99 F HN -0.011 nan 8.300 nan 0.000 0.553 100 N N 2.969 121.519 118.700 -0.250 0.000 1.938 100 N HA 0.004 4.747 4.740 0.004 0.000 0.225 100 N C -1.256 174.132 175.510 -0.203 0.000 1.400 100 N CA -0.051 52.842 53.050 -0.261 0.000 0.772 100 N CB 0.417 38.844 38.487 -0.101 0.000 1.124 100 N HN 0.506 nan 8.380 nan 0.000 0.513 101 D N 0.716 121.052 120.400 -0.107 0.000 2.738 101 D HA 0.399 5.042 4.640 0.004 0.000 0.237 101 D C -0.835 175.489 176.300 0.039 0.000 1.123 101 D CA -0.283 53.649 54.000 -0.113 0.000 0.856 101 D CB 3.284 44.062 40.800 -0.037 0.000 1.552 101 D HN -0.212 nan 8.370 nan 0.000 0.480 102 V N 2.346 122.139 119.914 -0.201 0.000 2.531 102 V HA 0.401 4.524 4.120 0.004 0.000 0.301 102 V C -1.175 174.662 176.094 -0.429 0.000 1.034 102 V CA -0.708 61.534 62.300 -0.096 0.000 0.865 102 V CB 1.325 33.115 31.823 -0.055 0.000 0.995 102 V HN 0.411 nan 8.190 nan 0.000 0.424 103 Y N 4.634 124.657 120.300 -0.462 0.000 2.429 103 Y HA 0.790 5.342 4.550 0.004 0.000 0.342 103 Y C -0.203 175.310 175.900 -0.646 0.000 1.004 103 Y CA -0.867 56.816 58.100 -0.696 0.000 1.075 103 Y CB 1.946 39.624 38.460 -1.303 0.000 1.214 103 Y HN 0.435 nan 8.280 nan 0.000 0.455 104 L N 3.477 124.521 121.223 -0.299 0.000 2.386 104 L HA 0.809 5.152 4.340 0.004 0.000 0.271 104 L C -1.122 175.641 176.870 -0.179 0.000 0.993 104 L CA -1.045 53.647 54.840 -0.247 0.000 0.819 104 L CB 1.992 43.941 42.059 -0.182 0.000 1.294 104 L HN 0.281 nan 8.230 nan 0.000 0.414 105 V N 0.866 120.680 119.914 -0.167 0.000 2.628 105 V HA 0.810 4.933 4.120 0.004 0.000 0.306 105 V C -0.178 175.865 176.094 -0.085 0.000 1.045 105 V CA -0.381 61.849 62.300 -0.116 0.000 0.905 105 V CB 1.980 33.742 31.823 -0.102 0.000 0.997 105 V HN 0.848 nan 8.190 nan 0.000 0.436 106 T N 1.149 115.666 114.554 -0.061 0.000 2.840 106 T HA 0.442 4.794 4.350 0.004 0.000 0.317 106 T C -1.045 173.635 174.700 -0.033 0.000 1.401 106 T CA -0.668 61.405 62.100 -0.045 0.000 1.028 106 T CB 0.897 69.791 68.868 0.044 0.000 1.317 106 T HN 0.836 nan 8.240 nan 0.000 0.495 107 H N 1.605 120.699 119.070 0.040 0.000 3.094 107 H HA 0.213 4.772 4.556 0.005 0.000 0.320 107 H C 0.258 175.609 175.328 0.039 0.000 1.000 107 H CA -0.170 55.903 56.048 0.042 0.000 1.413 107 H CB 0.093 29.876 29.762 0.035 0.000 1.405 107 H HN 0.262 nan 8.280 nan 0.000 0.586 108 L N 4.364 125.672 121.223 0.142 0.000 2.500 108 L HA 0.046 4.388 4.340 0.004 0.000 0.272 108 L C -0.522 176.404 176.870 0.094 0.000 1.149 108 L CA 0.207 55.106 54.840 0.098 0.000 0.897 108 L CB -0.061 42.049 42.059 0.085 0.000 1.178 108 L HN 0.561 nan 8.230 nan 0.000 0.473 109 M N 4.690 124.333 119.600 0.072 0.000 2.157 109 M HA 0.290 4.772 4.480 0.004 0.000 0.354 109 M C 1.209 177.529 176.300 0.033 0.000 1.170 109 M CA -0.143 55.185 55.300 0.047 0.000 1.060 109 M CB 0.561 33.181 32.600 0.032 0.000 1.615 109 M HN 0.690 nan 8.290 nan 0.000 0.460 110 G N 2.863 111.679 108.800 0.026 0.000 2.556 110 G HA2 0.215 4.177 3.960 0.004 0.000 0.215 110 G HA3 0.215 4.177 3.960 0.004 0.000 0.215 110 G C 0.284 175.190 174.900 0.010 0.000 1.258 110 G CA 0.640 45.752 45.100 0.020 0.000 0.811 110 G HN 0.775 nan 8.290 nan 0.000 0.557 111 A N 0.082 122.903 122.820 0.001 0.000 2.330 111 A HA 0.645 4.968 4.320 0.004 0.000 0.329 111 A C -0.601 176.971 177.584 -0.020 0.000 1.135 111 A CA -0.178 51.855 52.037 -0.007 0.000 0.817 111 A CB 1.384 20.380 19.000 -0.006 0.000 1.269 111 A HN 0.470 nan 8.150 nan 0.000 0.469 112 D N -0.080 120.304 120.400 -0.028 0.000 2.529 112 D HA 0.315 4.958 4.640 0.004 0.000 0.273 112 D C 0.781 177.050 176.300 -0.052 0.000 1.197 112 D CA -0.694 53.278 54.000 -0.047 0.000 1.070 112 D CB 0.213 40.979 40.800 -0.057 0.000 1.134 112 D HN 0.194 nan 8.370 nan 0.000 0.590 113 L N 0.152 121.330 121.223 -0.074 0.000 2.201 113 L HA -0.061 4.282 4.340 0.004 0.000 0.212 113 L C 1.429 178.272 176.870 -0.045 0.000 1.105 113 L CA 1.494 56.293 54.840 -0.069 0.000 0.775 113 L CB -1.204 40.795 42.059 -0.099 0.000 0.913 113 L HN 0.333 nan 8.230 nan 0.000 0.440 114 N N 0.508 119.181 118.700 -0.045 0.000 2.013 114 N HA -0.222 4.521 4.740 0.004 0.000 0.195 114 N C 1.507 177.015 175.510 -0.004 0.000 1.051 114 N CA 1.971 55.010 53.050 -0.018 0.000 0.851 114 N CB -0.650 37.826 38.487 -0.017 0.000 1.044 114 N HN 0.500 nan 8.380 nan 0.000 0.422 115 N N 0.530 119.226 118.700 -0.007 0.000 2.073 115 N HA -0.209 4.534 4.740 0.004 0.000 0.199 115 N C 1.657 177.170 175.510 0.005 0.000 1.023 115 N CA 1.517 54.568 53.050 0.001 0.000 0.880 115 N CB -0.320 38.166 38.487 -0.003 0.000 1.052 115 N HN 0.167 nan 8.380 nan 0.000 0.449 116 I N 0.096 120.665 120.570 -0.002 0.000 2.286 116 I HA -0.179 3.993 4.170 0.004 0.000 0.248 116 I C 1.887 178.016 176.117 0.019 0.000 1.115 116 I CA 1.029 62.331 61.300 0.004 0.000 1.392 116 I CB -0.289 37.704 38.000 -0.011 0.000 1.065 116 I HN 0.061 nan 8.210 nan 0.000 0.418 117 V N -1.140 118.785 119.914 0.018 0.000 2.992 117 V HA -0.016 4.106 4.120 0.004 0.000 0.250 117 V C 2.337 178.450 176.094 0.033 0.000 1.090 117 V CA 0.504 62.822 62.300 0.030 0.000 1.101 117 V CB -0.657 31.184 31.823 0.030 0.000 0.743 117 V HN 0.176 nan 8.190 nan 0.000 0.468 118 K N 1.152 121.570 120.400 0.030 0.000 2.163 118 K HA -0.253 4.070 4.320 0.004 0.000 0.210 118 K C 1.927 178.546 176.600 0.032 0.000 1.048 118 K CA 2.349 58.656 56.287 0.033 0.000 0.928 118 K CB -1.227 31.290 32.500 0.029 0.000 0.716 118 K HN 0.655 nan 8.250 nan 0.000 0.459 119 C N -0.863 118.456 119.300 0.030 0.000 2.468 119 C HA 0.166 4.629 4.460 0.004 0.000 0.277 119 C C 0.984 175.992 174.990 0.030 0.000 1.400 119 C CA -0.384 58.651 59.018 0.030 0.000 1.770 119 C CB -0.889 26.869 27.740 0.030 0.000 1.905 119 C HN 0.555 nan 8.230 nan 0.000 0.519 120 Q N -1.340 118.480 119.800 0.033 0.000 3.109 120 Q HA 0.141 4.484 4.340 0.004 0.000 0.332 120 Q C -1.605 174.418 176.000 0.038 0.000 0.848 120 Q CA -0.677 55.145 55.803 0.031 0.000 0.904 120 Q CB 0.511 29.267 28.738 0.030 0.000 1.475 120 Q HN 0.464 nan 8.270 nan 0.000 0.510 121 K N 1.034 121.455 120.400 0.035 0.000 2.219 121 K HA 0.600 4.922 4.320 0.004 0.000 0.258 121 K C -0.351 176.281 176.600 0.054 0.000 1.008 121 K CA -0.405 55.906 56.287 0.041 0.000 0.928 121 K CB 0.366 32.887 32.500 0.035 0.000 0.983 121 K HN 0.417 nan 8.250 nan 0.000 0.484 122 L N -0.434 120.832 121.223 0.072 0.000 2.347 122 L HA 0.453 4.795 4.340 0.004 0.000 0.268 122 L C 0.464 177.369 176.870 0.059 0.000 1.019 122 L CA -1.451 53.448 54.840 0.098 0.000 0.806 122 L CB 1.175 43.342 42.059 0.180 0.000 1.339 122 L HN 0.848 nan 8.230 nan 0.000 0.463 123 T N -3.690 110.860 114.554 -0.007 0.000 2.926 123 T HA -0.012 4.341 4.350 0.004 0.000 0.307 123 T C 0.688 175.389 174.700 0.001 0.000 1.059 123 T CA -0.012 62.043 62.100 -0.074 0.000 1.122 123 T CB 0.827 69.541 68.868 -0.256 0.000 0.972 123 T HN 0.777 nan 8.240 nan 0.000 0.545 124 D N 1.308 121.728 120.400 0.034 0.000 2.190 124 D HA -0.168 4.474 4.640 0.004 0.000 0.200 124 D C 1.533 177.906 176.300 0.122 0.000 0.992 124 D CA 1.609 55.677 54.000 0.112 0.000 0.854 124 D CB -0.119 40.753 40.800 0.120 0.000 0.936 124 D HN 0.692 nan 8.370 nan 0.000 0.462 125 D N -1.317 119.113 120.400 0.049 0.000 2.178 125 D HA -0.129 4.513 4.640 0.004 0.000 0.202 125 D C 1.624 178.074 176.300 0.250 0.000 0.974 125 D CA 0.871 54.931 54.000 0.100 0.000 0.841 125 D CB -0.176 40.632 40.800 0.013 0.000 0.953 125 D HN 0.587 nan 8.370 nan 0.000 0.478 126 H N -0.271 118.879 119.070 0.135 0.000 2.436 126 H HA 0.007 4.566 4.556 0.005 0.000 0.294 126 H C 2.320 177.738 175.328 0.151 0.000 1.048 126 H CA -0.017 56.124 56.048 0.155 0.000 1.353 126 H CB 0.609 30.438 29.762 0.113 0.000 1.414 126 H HN -0.077 nan 8.280 nan 0.000 0.536 127 V N 1.118 121.192 119.914 0.267 0.000 2.358 127 V HA -0.256 3.867 4.120 0.004 0.000 0.246 127 V C 2.160 178.414 176.094 0.267 0.000 1.047 127 V CA 1.646 64.084 62.300 0.230 0.000 1.035 127 V CB -0.394 31.568 31.823 0.230 0.000 0.658 127 V HN 0.459 nan 8.190 nan 0.000 0.452 128 Q N -1.150 118.784 119.800 0.224 0.000 2.030 128 Q HA -0.230 4.112 4.340 0.004 0.000 0.204 128 Q C 2.214 178.311 176.000 0.162 0.000 0.986 128 Q CA 2.145 58.027 55.803 0.131 0.000 0.843 128 Q CB -0.308 28.428 28.738 -0.002 0.000 0.904 128 Q HN 0.598 nan 8.270 nan 0.000 0.420 129 F N 1.279 121.122 119.950 -0.180 0.000 2.051 129 F HA -0.201 4.328 4.527 0.004 0.000 0.296 129 F C 1.892 177.576 175.800 -0.193 0.000 1.122 129 F CA 1.335 59.049 58.000 -0.476 0.000 1.201 129 F CB -0.536 38.275 39.000 -0.315 0.000 0.978 129 F HN -0.022 nan 8.300 nan 0.000 0.472 130 L N -0.301 120.829 121.223 -0.154 0.000 1.989 130 L HA -0.285 4.057 4.340 0.004 0.000 0.211 130 L C 2.467 179.217 176.870 -0.201 0.000 1.071 130 L CA 0.995 55.693 54.840 -0.237 0.000 0.749 130 L CB -0.827 41.180 42.059 -0.086 0.000 0.890 130 L HN 0.121 nan 8.230 nan 0.000 0.431 131 I N -0.970 119.574 120.570 -0.043 0.000 2.286 131 I HA -0.310 3.863 4.170 0.004 0.000 0.248 131 I C 2.495 178.477 176.117 -0.225 0.000 1.115 131 I CA 1.517 62.803 61.300 -0.025 0.000 1.392 131 I CB -1.315 36.827 38.000 0.237 0.000 1.065 131 I HN 0.285 nan 8.210 nan 0.000 0.418 132 Y N 2.257 122.298 120.300 -0.432 0.000 2.181 132 Y HA -0.259 4.293 4.550 0.004 0.000 0.288 132 Y C 2.641 178.246 175.900 -0.493 0.000 1.146 132 Y CA 1.827 59.484 58.100 -0.738 0.000 1.164 132 Y CB -0.318 37.803 38.460 -0.565 0.000 0.982 132 Y HN 0.252 nan 8.280 nan 0.000 0.515 133 Q N -0.126 119.354 119.800 -0.533 0.000 2.119 133 Q HA -0.119 4.224 4.340 0.004 0.000 0.201 133 Q C 2.327 178.071 176.000 -0.426 0.000 0.972 133 Q CA 1.840 57.331 55.803 -0.520 0.000 0.847 133 Q CB -0.106 28.333 28.738 -0.498 0.000 0.903 133 Q HN 0.563 nan 8.270 nan 0.000 0.433 134 I N 0.630 120.980 120.570 -0.367 0.000 2.226 134 I HA -0.285 3.888 4.170 0.004 0.000 0.245 134 I C 2.118 178.038 176.117 -0.329 0.000 1.100 134 I CA 1.139 62.253 61.300 -0.310 0.000 1.374 134 I CB -0.266 37.584 38.000 -0.250 0.000 1.057 134 I HN 0.192 nan 8.210 nan 0.000 0.413 135 L N 0.273 121.276 121.223 -0.368 0.000 2.141 135 L HA -0.161 4.182 4.340 0.004 0.000 0.209 135 L C 2.756 179.412 176.870 -0.356 0.000 1.094 135 L CA 1.061 55.700 54.840 -0.334 0.000 0.763 135 L CB -0.531 41.319 42.059 -0.349 0.000 0.908 135 L HN 0.222 nan 8.230 nan 0.000 0.437 136 R N 0.411 120.620 120.500 -0.486 0.000 2.066 136 R HA -0.119 4.223 4.340 0.004 0.000 0.232 136 R C 2.264 178.383 176.300 -0.300 0.000 1.131 136 R CA 1.549 57.427 56.100 -0.370 0.000 0.955 136 R CB -0.496 29.511 30.300 -0.488 0.000 0.851 136 R HN 0.309 nan 8.270 nan 0.000 0.432 137 G N 0.748 109.309 108.800 -0.398 0.000 2.408 137 G HA2 -0.214 3.748 3.960 0.004 0.000 0.217 137 G HA3 -0.214 3.748 3.960 0.004 0.000 0.217 137 G C 1.256 175.920 174.900 -0.394 0.000 1.150 137 G CA 0.372 45.095 45.100 -0.628 0.000 0.776 137 G HN 0.259 nan 8.290 nan 0.000 0.542 138 L N 0.740 121.758 121.223 -0.343 0.000 2.141 138 L HA 0.129 4.471 4.340 0.004 0.000 0.209 138 L C 2.703 179.349 176.870 -0.374 0.000 1.094 138 L CA 1.953 56.544 54.840 -0.416 0.000 0.763 138 L CB -0.371 41.441 42.059 -0.412 0.000 0.908 138 L HN 0.311 nan 8.230 nan 0.000 0.437 139 K N -1.646 118.636 120.400 -0.197 0.000 2.057 139 K HA -0.287 4.036 4.320 0.004 0.000 0.207 139 K C 2.309 178.905 176.600 -0.007 0.000 1.049 139 K CA 1.919 58.175 56.287 -0.051 0.000 0.931 139 K CB -0.524 31.972 32.500 -0.007 0.000 0.714 139 K HN 0.340 nan 8.250 nan 0.000 0.440 140 Y N 1.360 121.558 120.300 -0.170 0.000 2.114 140 Y HA -0.169 4.383 4.550 0.005 0.000 0.284 140 Y C 1.812 177.678 175.900 -0.056 0.000 1.143 140 Y CA 1.850 59.885 58.100 -0.108 0.000 1.135 140 Y CB -0.162 38.130 38.460 -0.281 0.000 0.980 140 Y HN 0.022 nan 8.280 nan 0.000 0.499 141 I N -0.359 120.228 120.570 0.028 0.000 2.208 141 I HA -0.382 3.791 4.170 0.004 0.000 0.245 141 I C 2.227 178.377 176.117 0.055 0.000 1.097 141 I CA 1.981 63.310 61.300 0.048 0.000 1.363 141 I CB -0.585 37.465 38.000 0.085 0.000 1.051 141 I HN 0.373 nan 8.210 nan 0.000 0.413 142 H N -0.173 118.906 119.070 0.015 0.000 2.395 142 H HA -0.122 4.437 4.556 0.004 0.000 0.299 142 H C 2.563 177.892 175.328 0.001 0.000 1.070 142 H CA 1.175 57.237 56.048 0.023 0.000 1.356 142 H CB 0.062 29.843 29.762 0.031 0.000 1.401 142 H HN 0.371 nan 8.280 nan 0.000 0.524 143 S N 0.981 116.733 115.700 0.088 0.000 2.402 143 S HA -0.191 4.281 4.470 0.004 0.000 0.233 143 S C 2.076 176.682 174.600 0.010 0.000 1.030 143 S CA 0.962 59.179 58.200 0.027 0.000 1.003 143 S CB -0.265 62.917 63.200 -0.029 0.000 0.813 143 S HN 0.422 nan 8.310 nan 0.000 0.477 144 A N 0.728 123.531 122.820 -0.028 0.000 2.302 144 A HA 0.278 4.600 4.320 0.004 0.000 0.219 144 A C 0.395 178.039 177.584 0.099 0.000 1.243 144 A CA 0.279 52.331 52.037 0.023 0.000 0.856 144 A CB -0.538 18.435 19.000 -0.046 0.000 0.893 144 A HN 0.375 nan 8.150 nan 0.000 0.491 145 D N -0.941 119.519 120.400 0.101 0.000 2.723 145 D HA -0.149 4.494 4.640 0.004 0.000 0.236 145 D C -0.399 175.990 176.300 0.148 0.000 1.138 145 D CA 1.098 55.168 54.000 0.115 0.000 0.676 145 D CB -1.352 39.508 40.800 0.100 0.000 1.069 145 D HN 0.556 nan 8.370 nan 0.000 0.430 146 I N 0.368 121.037 120.570 0.164 0.000 2.530 146 I HA 0.402 4.574 4.170 0.004 0.000 0.297 146 I C 0.606 176.888 176.117 0.275 0.000 1.011 146 I CA -0.839 60.569 61.300 0.180 0.000 1.107 146 I CB 1.883 39.937 38.000 0.089 0.000 1.285 146 I HN -0.134 nan 8.210 nan 0.000 0.436 147 I N 5.127 125.842 120.570 0.242 0.000 2.382 147 I HA 0.179 4.352 4.170 0.004 0.000 0.285 147 I C 1.165 177.416 176.117 0.223 0.000 1.007 147 I CA -0.550 60.900 61.300 0.250 0.000 1.142 147 I CB 1.217 39.336 38.000 0.199 0.000 1.289 147 I HN 0.718 nan 8.210 nan 0.000 0.453 148 H N 6.923 126.063 119.070 0.116 0.000 2.289 148 H HA -0.156 4.403 4.556 0.004 0.000 0.296 148 H C 1.464 176.765 175.328 -0.044 0.000 1.091 148 H CA 2.408 58.423 56.048 -0.056 0.000 1.274 148 H CB 0.384 29.976 29.762 -0.285 0.000 1.364 148 H HN 0.661 nan 8.280 nan 0.000 0.490 149 R N -1.202 119.386 120.500 0.148 0.000 3.769 149 R HA -0.185 4.157 4.340 0.004 0.000 0.443 149 R C -0.369 175.954 176.300 0.038 0.000 0.647 149 R CA 1.450 57.554 56.100 0.008 0.000 1.563 149 R CB -1.245 29.044 30.300 -0.019 0.000 2.174 149 R HN 0.372 nan 8.270 nan 0.000 0.403 150 D N 0.300 120.830 120.400 0.217 0.000 2.945 150 D HA 0.252 4.895 4.640 0.004 0.000 0.369 150 D C -0.827 175.403 176.300 -0.116 0.000 1.294 150 D CA -0.168 53.873 54.000 0.069 0.000 0.778 150 D CB 0.350 41.185 40.800 0.058 0.000 1.188 150 D HN 0.111 nan 8.370 nan 0.000 0.479 151 L N 2.064 123.109 121.223 -0.296 0.000 2.361 151 L HA 0.292 4.634 4.340 0.004 0.000 0.278 151 L C 0.394 177.046 176.870 -0.364 0.000 1.113 151 L CA 0.417 54.954 54.840 -0.505 0.000 0.849 151 L CB 0.332 42.126 42.059 -0.440 0.000 1.155 151 L HN 0.151 nan 8.230 nan 0.000 0.452 152 K N 2.475 122.604 120.400 -0.452 0.000 2.579 152 K HA 0.434 4.756 4.320 0.004 0.000 0.284 152 K C -2.715 173.583 176.600 -0.503 0.000 0.990 152 K CA -1.632 54.251 56.287 -0.673 0.000 0.880 152 K CB 1.156 33.257 32.500 -0.664 0.000 1.488 152 K HN -0.083 nan 8.250 nan 0.000 0.425 153 P HA -0.254 nan 4.420 nan 0.000 0.217 153 P C 1.024 178.199 177.300 -0.208 0.000 1.151 153 P CA 1.857 64.788 63.100 -0.282 0.000 0.849 153 P CB 0.028 31.609 31.700 -0.198 0.000 0.787 154 S N -2.303 113.271 115.700 -0.212 0.000 2.561 154 S HA 0.003 4.476 4.470 0.004 0.000 0.225 154 S C 1.286 175.801 174.600 -0.141 0.000 0.977 154 S CA 0.580 58.692 58.200 -0.146 0.000 0.926 154 S CB -1.133 61.990 63.200 -0.128 0.000 0.769 154 S HN 0.267 nan 8.310 nan 0.000 0.533 155 N N 0.524 119.114 118.700 -0.184 0.000 2.203 155 N HA 0.341 5.084 4.740 0.004 0.000 0.207 155 N C -1.006 174.404 175.510 -0.166 0.000 1.130 155 N CA -0.087 52.869 53.050 -0.157 0.000 0.861 155 N CB 0.423 38.806 38.487 -0.174 0.000 1.005 155 N HN 0.320 nan 8.380 nan 0.000 0.507 156 L N 1.367 122.488 121.223 -0.170 0.000 2.316 156 L HA 0.579 4.921 4.340 0.004 0.000 0.280 156 L C -0.376 176.426 176.870 -0.113 0.000 1.006 156 L CA -0.839 53.905 54.840 -0.160 0.000 0.836 156 L CB 1.535 43.481 42.059 -0.189 0.000 1.221 156 L HN -0.067 nan 8.230 nan 0.000 0.418 157 A N 4.143 126.911 122.820 -0.087 0.000 2.309 157 A HA 0.668 4.991 4.320 0.004 0.000 0.290 157 A C -0.258 177.285 177.584 -0.069 0.000 1.206 157 A CA -0.315 51.686 52.037 -0.060 0.000 0.850 157 A CB 0.727 19.707 19.000 -0.032 0.000 1.118 157 A HN 0.435 nan 8.150 nan 0.000 0.523 158 V N 4.055 123.933 119.914 -0.060 0.000 2.555 158 V HA 0.355 4.478 4.120 0.004 0.000 0.302 158 V C -0.102 175.970 176.094 -0.036 0.000 1.038 158 V CA -0.810 61.452 62.300 -0.062 0.000 0.887 158 V CB 1.732 33.514 31.823 -0.067 0.000 0.991 158 V HN 1.090 nan 8.190 nan 0.000 0.434 159 N N 2.472 121.154 118.700 -0.029 0.000 2.485 159 N HA 0.248 4.991 4.740 0.004 0.000 0.280 159 N C 0.636 176.144 175.510 -0.003 0.000 1.205 159 N CA -0.726 52.319 53.050 -0.010 0.000 0.959 159 N CB 0.782 39.266 38.487 -0.004 0.000 1.206 159 N HN 0.523 nan 8.380 nan 0.000 0.545 160 E N -0.787 119.415 120.200 0.003 0.000 2.352 160 E HA -0.210 4.143 4.350 0.004 0.000 0.203 160 E C -0.221 176.382 176.600 0.004 0.000 1.024 160 E CA 1.693 58.095 56.400 0.004 0.000 0.842 160 E CB -0.308 29.397 29.700 0.009 0.000 0.753 160 E HN 0.621 nan 8.360 nan 0.000 0.508 161 D N -1.070 119.341 120.400 0.019 0.000 2.462 161 D HA 0.138 4.780 4.640 0.004 0.000 0.221 161 D C -0.280 176.076 176.300 0.093 0.000 1.173 161 D CA -0.071 53.951 54.000 0.036 0.000 0.831 161 D CB 0.289 41.117 40.800 0.048 0.000 1.001 161 D HN 0.093 nan 8.370 nan 0.000 0.499 162 C N 2.154 121.486 119.300 0.052 0.000 4.454 162 C HA -0.152 4.311 4.460 0.004 0.000 0.298 162 C C 0.512 175.553 174.990 0.084 0.000 1.384 162 C CA 0.196 59.254 59.018 0.066 0.000 2.002 162 C CB -2.270 25.526 27.740 0.094 0.000 1.249 162 C HN 0.368 nan 8.230 nan 0.000 0.783 163 E N -0.041 120.184 120.200 0.041 0.000 2.227 163 E HA 0.583 4.935 4.350 0.004 0.000 0.282 163 E C -0.050 176.481 176.600 -0.115 0.000 1.015 163 E CA -0.271 56.109 56.400 -0.034 0.000 0.823 163 E CB 1.512 31.223 29.700 0.019 0.000 1.081 163 E HN 0.621 nan 8.360 nan 0.000 0.396 164 L N 2.416 123.521 121.223 -0.195 0.000 2.362 164 L HA 0.540 4.883 4.340 0.004 0.000 0.271 164 L C -1.164 175.616 176.870 -0.150 0.000 1.002 164 L CA -0.670 54.064 54.840 -0.177 0.000 0.818 164 L CB 1.328 43.248 42.059 -0.231 0.000 1.298 164 L HN 0.377 nan 8.230 nan 0.000 0.420 165 K N 4.918 125.248 120.400 -0.117 0.000 2.378 165 K HA 0.545 4.868 4.320 0.004 0.000 0.252 165 K C -1.200 175.346 176.600 -0.091 0.000 0.931 165 K CA -0.682 55.554 56.287 -0.086 0.000 0.794 165 K CB 2.423 34.893 32.500 -0.050 0.000 1.181 165 K HN 0.557 nan 8.250 nan 0.000 0.425 166 I N 5.245 125.762 120.570 -0.089 0.000 2.396 166 I HA 0.305 4.477 4.170 0.004 0.000 0.292 166 I C -0.162 175.949 176.117 -0.010 0.000 0.999 166 I CA -0.526 60.698 61.300 -0.126 0.000 1.310 166 I CB 0.611 38.484 38.000 -0.211 0.000 1.404 166 I HN 0.432 nan 8.210 nan 0.000 0.496 167 L N 1.988 123.206 121.223 -0.007 0.000 2.485 167 L HA 0.677 5.020 4.340 0.004 0.000 0.245 167 L C -0.545 176.402 176.870 0.129 0.000 1.137 167 L CA -0.925 53.986 54.840 0.119 0.000 0.954 167 L CB 0.467 42.574 42.059 0.079 0.000 1.560 167 L HN 0.283 nan 8.230 nan 0.000 0.403 168 D N 0.260 120.739 120.400 0.132 0.000 2.697 168 D HA -0.193 4.450 4.640 0.004 0.000 0.238 168 D C -0.679 175.603 176.300 -0.029 0.000 1.152 168 D CA 0.743 54.769 54.000 0.043 0.000 0.666 168 D CB -0.877 39.908 40.800 -0.025 0.000 1.037 168 D HN 0.395 nan 8.370 nan 0.000 0.423 169 F N -0.071 119.677 119.950 -0.337 0.000 2.629 169 F HA 0.214 4.743 4.527 0.004 0.000 0.369 169 F C 2.207 177.744 175.800 -0.439 0.000 1.125 169 F CA 0.887 58.426 58.000 -0.768 0.000 1.330 169 F CB 0.323 39.034 39.000 -0.482 0.000 1.071 169 F HN 0.101 nan 8.300 nan 0.000 0.595 170 G N 3.345 111.967 108.800 -0.296 0.000 2.480 170 G HA2 -0.224 3.739 3.960 0.004 0.000 0.216 170 G HA3 -0.224 3.739 3.960 0.004 0.000 0.216 170 G C 0.536 175.405 174.900 -0.051 0.000 1.200 170 G CA 0.062 45.110 45.100 -0.087 0.000 0.782 170 G HN 0.476 nan 8.290 nan 0.000 0.554 171 L N 1.569 122.794 121.223 0.003 0.000 2.919 171 L HA 0.257 4.600 4.340 0.004 0.000 0.289 171 L C 0.948 177.801 176.870 -0.028 0.000 1.050 171 L CA 1.106 55.961 54.840 0.026 0.000 1.071 171 L CB -1.020 41.079 42.059 0.068 0.000 1.499 171 L HN 0.628 nan 8.230 nan 0.000 0.443 172 A N 1.930 124.699 122.820 -0.085 0.000 3.554 172 A HA 0.058 4.380 4.320 0.004 0.000 0.066 172 A C 0.449 177.787 177.584 -0.410 0.000 1.301 172 A CA -0.425 51.511 52.037 -0.170 0.000 1.209 172 A CB -0.479 18.445 19.000 -0.128 0.000 0.873 172 A HN 0.426 nan 8.150 nan 0.000 0.414 173 R N 0.942 121.222 120.500 -0.367 0.000 2.862 173 R HA 0.268 4.611 4.340 0.004 0.000 0.267 173 R C -0.565 175.403 176.300 -0.553 0.000 0.995 173 R CA 0.901 56.722 56.100 -0.465 0.000 1.140 173 R CB -0.093 30.064 30.300 -0.239 0.000 1.031 173 R HN 0.709 nan 8.270 nan 0.000 0.459 174 H N 0.512 119.555 119.070 -0.043 0.000 2.423 174 H HA 0.068 4.627 4.556 0.004 0.000 0.237 174 H C -0.295 175.018 175.328 -0.025 0.000 1.391 174 H CA -0.451 55.578 56.048 -0.031 0.000 1.453 174 H CB 0.410 30.148 29.762 -0.041 0.000 1.484 174 H HN 0.669 nan 8.280 nan 0.000 0.505 175 T N -0.227 114.349 114.554 0.036 0.000 2.393 175 T HA -0.102 4.251 4.350 0.004 0.000 0.225 175 T C 0.157 174.877 174.700 0.034 0.000 1.123 175 T CA 0.385 62.493 62.100 0.013 0.000 1.701 175 T CB -0.443 68.423 68.868 -0.004 0.000 1.100 175 T HN 0.553 nan 8.240 nan 0.000 0.472 176 D N 2.045 122.463 120.400 0.030 0.000 2.787 176 D HA 0.301 4.943 4.640 0.004 0.000 0.246 176 D C 0.326 176.637 176.300 0.019 0.000 1.150 176 D CA -0.558 53.459 54.000 0.029 0.000 0.864 176 D CB 1.110 41.932 40.800 0.035 0.000 1.481 176 D HN 0.435 nan 8.370 nan 0.000 0.509 177 D N 1.841 122.253 120.400 0.020 0.000 3.068 177 D HA -0.235 4.408 4.640 0.004 0.000 0.219 177 D C 0.529 176.836 176.300 0.012 0.000 1.175 177 D CA 1.412 55.423 54.000 0.018 0.000 0.942 177 D CB -0.226 40.581 40.800 0.012 0.000 1.127 177 D HN 0.859 nan 8.370 nan 0.000 0.404 178 E N -0.708 119.494 120.200 0.003 0.000 2.498 178 E HA 0.050 4.402 4.350 0.004 0.000 0.203 178 E C 1.439 178.011 176.600 -0.047 0.000 1.013 178 E CA -0.199 56.185 56.400 -0.027 0.000 0.927 178 E CB 0.165 29.842 29.700 -0.039 0.000 1.012 178 E HN 0.161 nan 8.360 nan 0.000 0.482 179 M N 1.438 121.038 119.600 -0.001 0.000 2.356 179 M HA 0.200 4.683 4.480 0.004 0.000 0.262 179 M C -0.000 176.340 176.300 0.067 0.000 1.097 179 M CA 0.294 55.587 55.300 -0.012 0.000 0.991 179 M CB 0.702 33.334 32.600 0.053 0.000 1.450 179 M HN -0.125 nan 8.290 nan 0.000 0.495 180 T N 1.219 115.824 114.554 0.086 0.000 2.845 180 T HA 0.599 4.952 4.350 0.004 0.000 0.288 180 T C 0.851 175.600 174.700 0.081 0.000 0.980 180 T CA 0.516 62.692 62.100 0.126 0.000 1.071 180 T CB 1.601 70.521 68.868 0.086 0.000 0.941 180 T HN 0.640 nan 8.240 nan 0.000 0.487 181 G N 1.699 110.577 108.800 0.130 0.000 2.584 181 G HA2 -0.249 3.713 3.960 0.004 0.000 0.229 181 G HA3 -0.249 3.713 3.960 0.004 0.000 0.229 181 G C -0.628 174.404 174.900 0.220 0.000 1.320 181 G CA -0.472 44.723 45.100 0.158 0.000 0.891 181 G HN 0.774 nan 8.290 nan 0.000 0.573 182 Y N 1.720 122.101 120.300 0.136 0.000 2.570 182 Y HA 0.465 5.018 4.550 0.004 0.000 0.336 182 Y C 0.953 176.928 175.900 0.123 0.000 1.284 182 Y CA -0.171 58.100 58.100 0.285 0.000 1.761 182 Y CB -0.318 38.303 38.460 0.269 0.000 1.724 182 Y HN 1.007 nan 8.280 nan 0.000 0.455 183 V N 1.111 120.809 119.914 -0.359 0.000 2.540 183 V HA 0.739 4.862 4.120 0.004 0.000 0.302 183 V C 0.776 175.834 176.094 -1.727 0.000 1.035 183 V CA -0.328 61.495 62.300 -0.794 0.000 0.873 183 V CB 1.042 32.622 31.823 -0.406 0.000 0.992 183 V HN 0.505 nan 8.190 nan 0.000 0.428 184 A N 3.238 125.009 122.820 -1.749 0.000 1.978 184 A HA -0.120 4.202 4.320 0.004 0.000 0.220 184 A C 2.245 179.494 177.584 -0.558 0.000 1.170 184 A CA 2.614 53.805 52.037 -1.410 0.000 0.636 184 A CB -0.975 17.714 19.000 -0.518 0.000 0.810 184 A HN 1.557 nan 8.150 nan 0.000 0.448 185 T N -2.390 111.887 114.554 -0.462 0.000 2.803 185 T HA -0.211 4.141 4.350 0.004 0.000 0.269 185 T C 1.921 176.527 174.700 -0.158 0.000 1.052 185 T CA 1.628 63.594 62.100 -0.223 0.000 1.136 185 T CB -0.294 68.449 68.868 -0.209 0.000 0.864 185 T HN 0.514 nan 8.240 nan 0.000 0.467 186 R N -1.247 119.064 120.500 -0.314 0.000 2.223 186 R HA 0.098 4.441 4.340 0.004 0.000 0.198 186 R C 1.737 178.014 176.300 -0.038 0.000 0.984 186 R CA 0.260 56.238 56.100 -0.204 0.000 1.018 186 R CB -0.026 30.094 30.300 -0.300 0.000 0.945 186 R HN 0.450 nan 8.270 nan 0.000 0.479 187 W N -0.075 121.151 121.300 -0.124 0.000 2.538 187 W HA -0.121 4.542 4.660 0.005 0.000 0.254 187 W C 0.607 176.878 176.519 -0.414 0.000 1.249 187 W CA 0.545 57.714 57.345 -0.294 0.000 1.253 187 W CB -0.535 28.633 29.460 -0.487 0.000 1.130 187 W HN 0.181 nan 8.180 nan 0.000 0.618 188 Y N -0.120 120.324 120.300 0.240 0.000 2.467 188 Y HA 0.220 4.773 4.550 0.005 0.000 0.250 188 Y C 1.156 177.193 175.900 0.228 0.000 1.155 188 Y CA -0.458 57.777 58.100 0.225 0.000 1.249 188 Y CB -0.220 38.300 38.460 0.100 0.000 1.146 188 Y HN -0.368 nan 8.280 nan 0.000 0.524 189 R N 1.395 122.018 120.500 0.205 0.000 2.390 189 R HA 0.526 4.869 4.340 0.004 0.000 0.291 189 R C 0.292 176.513 176.300 -0.131 0.000 1.070 189 R CA -0.211 55.910 56.100 0.034 0.000 1.014 189 R CB 0.627 30.875 30.300 -0.087 0.000 1.007 189 R HN 0.124 nan 8.270 nan 0.000 0.466 190 A N 5.070 127.692 122.820 -0.331 0.000 2.483 190 A HA 0.177 4.499 4.320 0.004 0.000 0.238 190 A C -1.083 176.008 177.584 -0.821 0.000 1.070 190 A CA -1.069 50.378 52.037 -0.983 0.000 0.770 190 A CB -0.022 18.631 19.000 -0.579 0.000 1.008 190 A HN 0.523 nan 8.150 nan 0.000 0.497 191 P HA -0.236 nan 4.420 nan 0.000 0.215 191 P C 1.156 177.788 177.300 -1.114 0.000 1.153 191 P CA 1.688 64.207 63.100 -0.969 0.000 0.853 191 P CB -0.062 31.043 31.700 -0.991 0.000 0.788 192 E N 0.418 120.105 120.200 -0.854 0.000 2.209 192 E HA -0.189 4.163 4.350 0.004 0.000 0.196 192 E C 2.061 178.496 176.600 -0.276 0.000 0.993 192 E CA 1.064 57.187 56.400 -0.461 0.000 0.819 192 E CB -1.026 28.678 29.700 0.006 0.000 0.745 192 E HN 0.350 nan 8.360 nan 0.000 0.477 193 I N -0.772 119.633 120.570 -0.275 0.000 3.265 193 I HA 0.012 4.185 4.170 0.004 0.000 0.282 193 I C 2.552 178.572 176.117 -0.161 0.000 1.207 193 I CA 0.133 61.370 61.300 -0.105 0.000 1.449 193 I CB 0.071 37.920 38.000 -0.252 0.000 1.121 193 I HN 0.035 nan 8.210 nan 0.000 0.442 194 M N 0.208 119.634 119.600 -0.291 0.000 2.175 194 M HA -0.106 4.376 4.480 0.004 0.000 0.264 194 M C 0.667 176.894 176.300 -0.122 0.000 1.063 194 M CA 1.564 56.742 55.300 -0.204 0.000 1.119 194 M CB 0.265 32.696 32.600 -0.281 0.000 1.377 194 M HN 0.174 nan 8.290 nan 0.000 0.415 195 L N 0.572 121.602 121.223 -0.322 0.000 3.014 195 L HA 0.244 4.586 4.340 0.004 0.000 0.263 195 L C -0.157 176.646 176.870 -0.112 0.000 1.207 195 L CA 0.286 54.999 54.840 -0.212 0.000 1.017 195 L CB -1.304 40.581 42.059 -0.290 0.000 1.360 195 L HN 0.356 nan 8.230 nan 0.000 0.560 196 N N -0.447 118.190 118.700 -0.106 0.000 2.698 196 N HA -0.257 4.486 4.740 0.004 0.000 0.258 196 N C 0.708 176.300 175.510 0.136 0.000 0.978 196 N CA 0.401 53.453 53.050 0.002 0.000 0.777 196 N CB -0.426 38.057 38.487 -0.007 0.000 0.907 196 N HN 0.345 nan 8.380 nan 0.000 0.543 197 W N -0.161 121.134 121.300 -0.008 0.000 2.381 197 W HA 0.065 4.728 4.660 0.005 0.000 0.301 197 W C 1.472 177.989 176.519 -0.004 0.000 1.205 197 W CA 0.769 58.112 57.345 -0.003 0.000 1.285 197 W CB -0.418 29.041 29.460 -0.001 0.000 1.133 197 W HN 0.398 nan 8.180 nan 0.000 0.521 198 M N -2.382 117.366 119.600 0.246 0.000 3.079 198 M HA 0.383 4.865 4.480 0.004 0.000 0.277 198 M C -0.827 175.488 176.300 0.026 0.000 1.317 198 M CA -0.750 54.646 55.300 0.160 0.000 0.793 198 M CB 2.032 34.757 32.600 0.208 0.000 1.690 198 M HN -0.230 nan 8.290 nan 0.000 0.451 199 H N 1.931 120.994 119.070 -0.011 0.000 2.864 199 H HA 0.289 4.848 4.556 0.004 0.000 0.281 199 H C -1.235 174.037 175.328 -0.092 0.000 1.093 199 H CA -0.148 55.814 56.048 -0.143 0.000 1.453 199 H CB -0.068 29.619 29.762 -0.125 0.000 1.462 199 H HN 0.556 nan 8.280 nan 0.000 0.480 200 Y N 2.288 122.637 120.300 0.081 0.000 2.314 200 Y HA 0.144 4.697 4.550 0.004 0.000 0.334 200 Y C 0.382 176.309 175.900 0.045 0.000 1.266 200 Y CA -1.327 56.803 58.100 0.050 0.000 1.391 200 Y CB 0.419 38.883 38.460 0.008 0.000 1.306 200 Y HN 0.534 nan 8.280 nan 0.000 0.558 201 N N 0.701 119.588 118.700 0.310 0.000 2.906 201 N HA 0.158 4.901 4.740 0.004 0.000 0.327 201 N C 0.207 175.785 175.510 0.114 0.000 1.344 201 N CA -0.693 52.465 53.050 0.180 0.000 0.823 201 N CB 0.450 38.989 38.487 0.088 0.000 1.351 201 N HN 0.827 nan 8.380 nan 0.000 0.604 202 Q N -0.801 118.982 119.800 -0.028 0.000 2.364 202 Q HA -0.083 4.259 4.340 0.004 0.000 0.209 202 Q C 1.058 176.964 176.000 -0.157 0.000 0.977 202 Q CA 1.855 57.519 55.803 -0.232 0.000 0.885 202 Q CB -0.638 27.709 28.738 -0.651 0.000 0.941 202 Q HN 0.861 nan 8.270 nan 0.000 0.464 203 T N -1.315 113.223 114.554 -0.028 0.000 3.113 203 T HA -0.014 4.339 4.350 0.004 0.000 0.263 203 T C 1.956 176.729 174.700 0.123 0.000 1.143 203 T CA 0.757 62.897 62.100 0.067 0.000 1.090 203 T CB -0.490 68.435 68.868 0.095 0.000 0.922 203 T HN 0.285 nan 8.240 nan 0.000 0.521 204 V N -0.127 119.828 119.914 0.068 0.000 2.490 204 V HA -0.119 4.003 4.120 0.004 0.000 0.250 204 V C 2.052 178.217 176.094 0.118 0.000 1.061 204 V CA 1.744 64.067 62.300 0.039 0.000 1.064 204 V CB -0.717 31.018 31.823 -0.145 0.000 0.670 204 V HN 0.211 nan 8.190 nan 0.000 0.461 205 D N 0.609 121.083 120.400 0.124 0.000 2.144 205 D HA -0.036 4.607 4.640 0.004 0.000 0.200 205 D C 2.198 178.586 176.300 0.147 0.000 0.978 205 D CA 1.308 55.393 54.000 0.141 0.000 0.833 205 D CB -0.095 40.858 40.800 0.254 0.000 0.961 205 D HN 0.403 nan 8.370 nan 0.000 0.470 206 I N 0.469 121.151 120.570 0.186 0.000 2.286 206 I HA -0.214 3.958 4.170 0.004 0.000 0.248 206 I C 2.350 178.563 176.117 0.159 0.000 1.115 206 I CA 0.676 62.067 61.300 0.151 0.000 1.392 206 I CB -1.016 37.077 38.000 0.154 0.000 1.065 206 I HN 0.285 nan 8.210 nan 0.000 0.418 207 W N 2.159 123.495 121.300 0.061 0.000 2.335 207 W HA -0.233 4.430 4.660 0.004 0.000 0.311 207 W C 2.528 179.104 176.519 0.094 0.000 1.213 207 W CA 1.858 59.251 57.345 0.080 0.000 1.274 207 W CB -0.352 29.142 29.460 0.056 0.000 1.148 207 W HN 0.102 nan 8.180 nan 0.000 0.498 208 S N 0.900 116.775 115.700 0.291 0.000 2.359 208 S HA -0.211 4.261 4.470 0.004 0.000 0.224 208 S C 1.861 176.507 174.600 0.077 0.000 1.035 208 S CA 1.936 60.263 58.200 0.211 0.000 1.018 208 S CB -0.850 62.426 63.200 0.127 0.000 0.876 208 S HN 0.146 nan 8.310 nan 0.000 0.448 209 V N 1.774 121.694 119.914 0.010 0.000 2.343 209 V HA -0.158 3.965 4.120 0.004 0.000 0.247 209 V C 2.658 178.720 176.094 -0.054 0.000 1.051 209 V CA 1.904 64.182 62.300 -0.036 0.000 1.036 209 V CB -1.631 30.169 31.823 -0.038 0.000 0.654 209 V HN 0.591 nan 8.190 nan 0.000 0.451 210 G N -1.117 107.623 108.800 -0.102 0.000 2.440 210 G HA2 -0.273 3.689 3.960 0.004 0.000 0.218 210 G HA3 -0.273 3.689 3.960 0.004 0.000 0.218 210 G C 1.714 176.498 174.900 -0.193 0.000 1.154 210 G CA 1.353 46.344 45.100 -0.181 0.000 0.767 210 G HN 0.542 nan 8.290 nan 0.000 0.552 211 C N 0.192 119.401 119.300 -0.152 0.000 2.429 211 C HA 0.079 4.542 4.460 0.004 0.000 0.277 211 C C 2.838 177.853 174.990 0.043 0.000 1.262 211 C CA 0.429 59.407 59.018 -0.067 0.000 1.733 211 C CB -0.925 26.874 27.740 0.099 0.000 2.010 211 C HN 0.474 nan 8.230 nan 0.000 0.483 212 I N 0.403 121.033 120.570 0.100 0.000 2.163 212 I HA -0.259 3.914 4.170 0.004 0.000 0.240 212 I C 2.648 178.761 176.117 -0.007 0.000 1.081 212 I CA 1.668 63.014 61.300 0.076 0.000 1.353 212 I CB -0.494 37.500 38.000 -0.009 0.000 1.054 212 I HN 0.339 nan 8.210 nan 0.000 0.407 213 M N 0.976 120.546 119.600 -0.050 0.000 2.082 213 M HA -0.277 4.205 4.480 0.004 0.000 0.258 213 M C 2.386 178.598 176.300 -0.147 0.000 1.069 213 M CA 2.410 57.664 55.300 -0.076 0.000 1.102 213 M CB -0.174 32.368 32.600 -0.097 0.000 1.336 213 M HN 0.268 nan 8.290 nan 0.000 0.404 214 A N -0.227 122.461 122.820 -0.220 0.000 1.908 214 A HA -0.251 4.071 4.320 0.004 0.000 0.218 214 A C 1.985 179.516 177.584 -0.089 0.000 1.181 214 A CA 2.105 53.978 52.037 -0.274 0.000 0.627 214 A CB -0.983 17.881 19.000 -0.226 0.000 0.818 214 A HN 0.739 nan 8.150 nan 0.000 0.445 215 E N -0.251 119.921 120.200 -0.045 0.000 2.150 215 E HA -0.126 4.227 4.350 0.004 0.000 0.193 215 E C 1.856 178.463 176.600 0.012 0.000 0.985 215 E CA 0.894 57.294 56.400 0.001 0.000 0.814 215 E CB -0.169 29.565 29.700 0.057 0.000 0.752 215 E HN 0.665 nan 8.360 nan 0.000 0.466 216 L N 0.350 121.577 121.223 0.006 0.000 2.156 216 L HA -0.131 4.211 4.340 0.004 0.000 0.208 216 L C 2.368 179.254 176.870 0.027 0.000 1.095 216 L CA 0.549 55.404 54.840 0.025 0.000 0.770 216 L CB -0.253 41.826 42.059 0.034 0.000 0.914 216 L HN 0.233 nan 8.230 nan 0.000 0.439 217 L N -0.526 120.695 121.223 -0.003 0.000 2.095 217 L HA -0.107 4.235 4.340 0.004 0.000 0.204 217 L C 2.711 179.600 176.870 0.032 0.000 1.080 217 L CA 1.775 56.617 54.840 0.003 0.000 0.759 217 L CB -0.567 41.450 42.059 -0.070 0.000 0.914 217 L HN 0.392 nan 8.230 nan 0.000 0.439 218 T N -4.247 110.332 114.554 0.041 0.000 3.037 218 T HA 0.173 4.526 4.350 0.004 0.000 0.252 218 T C 1.492 176.205 174.700 0.022 0.000 1.073 218 T CA 0.572 62.700 62.100 0.047 0.000 1.091 218 T CB 0.554 69.461 68.868 0.065 0.000 0.935 218 T HN 0.423 nan 8.240 nan 0.000 0.488 219 G N 1.723 110.535 108.800 0.020 0.000 2.148 219 G HA2 -0.199 3.763 3.960 0.004 0.000 0.254 219 G HA3 -0.199 3.763 3.960 0.004 0.000 0.254 219 G C 0.024 174.929 174.900 0.008 0.000 0.981 219 G CA -0.029 45.082 45.100 0.020 0.000 0.670 219 G HN 0.670 nan 8.290 nan 0.000 0.528 220 R N -0.167 120.327 120.500 -0.010 0.000 2.807 220 R HA 0.580 4.922 4.340 0.004 0.000 0.276 220 R C -0.012 176.244 176.300 -0.073 0.000 0.979 220 R CA -0.480 55.594 56.100 -0.043 0.000 0.928 220 R CB 0.879 31.137 30.300 -0.070 0.000 1.191 220 R HN 0.131 nan 8.270 nan 0.000 0.471 221 T N 2.535 117.019 114.554 -0.117 0.000 2.916 221 T HA 0.026 4.378 4.350 0.004 0.000 0.303 221 T C 1.534 176.054 174.700 -0.299 0.000 1.025 221 T CA -0.211 61.775 62.100 -0.189 0.000 1.142 221 T CB 0.657 69.326 68.868 -0.332 0.000 0.947 221 T HN 0.357 nan 8.240 nan 0.000 0.544 222 L N 2.452 123.454 121.223 -0.368 0.000 2.023 222 L HA 0.265 4.607 4.340 0.004 0.000 0.205 222 L C 0.303 176.721 176.870 -0.753 0.000 1.073 222 L CA 1.756 56.232 54.840 -0.607 0.000 0.745 222 L CB -0.123 41.472 42.059 -0.774 0.000 0.900 222 L HN 0.612 nan 8.230 nan 0.000 0.435 223 F N 1.307 121.103 119.950 -0.257 0.000 2.471 223 F HA 0.405 4.934 4.527 0.004 0.000 0.318 223 F C -2.088 173.415 175.800 -0.495 0.000 1.308 223 F CA -2.625 55.232 58.000 -0.239 0.000 1.162 223 F CB 0.070 39.031 39.000 -0.066 0.000 1.383 223 F HN 0.046 nan 8.300 nan 0.000 0.552 224 P HA 0.141 nan 4.420 nan 0.000 0.230 224 P C 0.637 177.650 177.300 -0.479 0.000 1.791 224 P CA 0.256 62.511 63.100 -1.409 0.000 1.020 224 P CB 0.319 31.306 31.700 -1.187 0.000 1.977 225 G N 1.414 110.134 108.800 -0.133 0.000 2.544 225 G HA2 0.203 4.165 3.960 0.004 0.000 0.242 225 G HA3 0.203 4.165 3.960 0.004 0.000 0.242 225 G C 1.126 176.297 174.900 0.451 0.000 1.247 225 G CA -0.193 45.016 45.100 0.182 0.000 0.840 225 G HN 0.335 nan 8.290 nan 0.000 0.578 226 T N -2.184 112.576 114.554 0.343 0.000 3.100 226 T HA 0.219 4.571 4.350 0.004 0.000 0.253 226 T C 0.363 175.232 174.700 0.282 0.000 1.118 226 T CA 0.748 63.072 62.100 0.373 0.000 1.058 226 T CB -0.313 68.641 68.868 0.142 0.000 0.953 226 T HN 0.797 nan 8.240 nan 0.000 0.515 227 D N -2.100 118.437 120.400 0.227 0.000 2.738 227 D HA 0.168 4.810 4.640 0.004 0.000 0.308 227 D C 0.420 176.817 176.300 0.161 0.000 1.311 227 D CA -0.914 53.202 54.000 0.193 0.000 0.799 227 D CB 0.064 40.965 40.800 0.167 0.000 1.332 227 D HN -0.066 nan 8.370 nan 0.000 0.441 228 H N -0.601 118.500 119.070 0.051 0.000 2.353 228 H HA -0.091 4.467 4.556 0.004 0.000 0.298 228 H C 1.408 176.750 175.328 0.023 0.000 1.103 228 H CA 1.418 57.476 56.048 0.017 0.000 1.293 228 H CB 0.124 29.873 29.762 -0.023 0.000 1.372 228 H HN 0.312 nan 8.280 nan 0.000 0.501 229 I N 0.799 121.467 120.570 0.163 0.000 2.286 229 I HA -0.173 4.000 4.170 0.004 0.000 0.245 229 I C 2.291 178.484 176.117 0.128 0.000 1.104 229 I CA 1.062 62.442 61.300 0.133 0.000 1.397 229 I CB -1.052 37.002 38.000 0.091 0.000 1.072 229 I HN 0.186 nan 8.210 nan 0.000 0.417 230 D N 0.434 120.902 120.400 0.114 0.000 2.144 230 D HA -0.269 4.374 4.640 0.004 0.000 0.199 230 D C 2.241 178.594 176.300 0.089 0.000 0.984 230 D CA 1.364 55.424 54.000 0.100 0.000 0.834 230 D CB 0.059 40.921 40.800 0.103 0.000 0.955 230 D HN 0.351 nan 8.370 nan 0.000 0.465 231 Q N -0.747 119.106 119.800 0.088 0.000 2.079 231 Q HA -0.123 4.220 4.340 0.004 0.000 0.200 231 Q C 2.157 178.145 176.000 -0.021 0.000 0.974 231 Q CA 0.963 56.798 55.803 0.054 0.000 0.840 231 Q CB -0.192 28.581 28.738 0.059 0.000 0.898 231 Q HN 0.381 nan 8.270 nan 0.000 0.430 232 L N 0.897 122.120 121.223 -0.001 0.000 2.083 232 L HA -0.141 4.201 4.340 0.004 0.000 0.209 232 L C 1.899 178.784 176.870 0.024 0.000 1.083 232 L CA 1.808 56.640 54.840 -0.013 0.000 0.752 232 L CB -0.242 41.876 42.059 0.098 0.000 0.899 232 L HN 0.059 nan 8.230 nan 0.000 0.433 233 K N -0.660 119.781 120.400 0.067 0.000 2.057 233 K HA -0.111 4.211 4.320 0.004 0.000 0.207 233 K C 2.059 178.691 176.600 0.054 0.000 1.049 233 K CA 1.633 57.962 56.287 0.069 0.000 0.931 233 K CB -0.269 32.280 32.500 0.082 0.000 0.714 233 K HN 0.375 nan 8.250 nan 0.000 0.440 234 L N 0.604 121.861 121.223 0.057 0.000 2.083 234 L HA -0.176 4.166 4.340 0.004 0.000 0.209 234 L C 2.287 179.231 176.870 0.123 0.000 1.083 234 L CA 1.053 55.968 54.840 0.125 0.000 0.752 234 L CB -0.379 41.802 42.059 0.203 0.000 0.899 234 L HN 0.176 nan 8.230 nan 0.000 0.433 235 I N -0.328 120.133 120.570 -0.183 0.000 2.286 235 I HA -0.274 3.898 4.170 0.004 0.000 0.245 235 I C 2.311 178.420 176.117 -0.013 0.000 1.104 235 I CA 1.164 62.202 61.300 -0.436 0.000 1.397 235 I CB -0.100 37.568 38.000 -0.553 0.000 1.072 235 I HN 0.185 nan 8.210 nan 0.000 0.417 236 L N -0.081 121.158 121.223 0.027 0.000 2.291 236 L HA -0.114 4.229 4.340 0.004 0.000 0.214 236 L C 2.618 179.543 176.870 0.092 0.000 1.120 236 L CA 0.849 55.737 54.840 0.081 0.000 0.799 236 L CB -0.549 41.552 42.059 0.069 0.000 0.925 236 L HN 0.199 nan 8.230 nan 0.000 0.446 237 R N 0.168 120.720 120.500 0.088 0.000 2.115 237 R HA -0.152 4.190 4.340 0.004 0.000 0.230 237 R C 2.202 178.560 176.300 0.096 0.000 1.111 237 R CA 1.139 57.286 56.100 0.078 0.000 0.976 237 R CB 0.013 30.351 30.300 0.064 0.000 0.870 237 R HN 0.216 nan 8.270 nan 0.000 0.445 238 L N -0.447 120.866 121.223 0.150 0.000 2.168 238 L HA 0.019 4.361 4.340 0.004 0.000 0.203 238 L C 1.635 178.648 176.870 0.238 0.000 1.078 238 L CA 1.320 56.248 54.840 0.146 0.000 0.780 238 L CB 0.154 42.329 42.059 0.193 0.000 0.939 238 L HN -0.131 nan 8.230 nan 0.000 0.451 239 V N 0.249 120.329 119.914 0.277 0.000 3.506 239 V HA 0.439 4.561 4.120 0.004 0.000 0.263 239 V C 0.912 177.137 176.094 0.218 0.000 1.203 239 V CA 0.546 63.038 62.300 0.320 0.000 1.133 239 V CB -0.902 31.156 31.823 0.391 0.000 0.802 239 V HN 0.694 nan 8.190 nan 0.000 0.459 240 G N 0.933 109.829 108.800 0.160 0.000 2.712 240 G HA2 -0.147 3.816 3.960 0.004 0.000 0.686 240 G HA3 -0.147 3.816 3.960 0.004 0.000 0.686 240 G C -0.083 174.872 174.900 0.092 0.000 1.321 240 G CA -0.385 44.780 45.100 0.109 0.000 0.813 240 G HN 0.580 nan 8.290 nan 0.000 0.599 241 T N 0.207 114.793 114.554 0.052 0.000 2.868 241 T HA 0.651 5.004 4.350 0.004 0.000 0.292 241 T C -1.864 172.843 174.700 0.013 0.000 1.028 241 T CA -0.779 61.337 62.100 0.025 0.000 1.059 241 T CB 1.280 70.141 68.868 -0.013 0.000 0.991 241 T HN 0.564 nan 8.240 nan 0.000 0.531 242 P HA 0.343 nan 4.420 nan 0.000 0.268 242 P C 0.418 177.690 177.300 -0.047 0.000 1.208 242 P CA -0.156 62.916 63.100 -0.047 0.000 0.777 242 P CB 0.109 31.721 31.700 -0.147 0.000 0.875 243 G N 0.118 108.899 108.800 -0.031 0.000 2.531 243 G HA2 0.444 4.406 3.960 0.004 0.000 0.313 243 G HA3 0.444 4.406 3.960 0.004 0.000 0.313 243 G C 0.928 175.802 174.900 -0.043 0.000 1.238 243 G CA -0.136 44.948 45.100 -0.027 0.000 0.994 243 G HN 0.450 nan 8.290 nan 0.000 0.493 244 A N -0.916 121.883 122.820 -0.034 0.000 1.902 244 A HA -0.044 4.279 4.320 0.004 0.000 0.217 244 A C 2.007 179.571 177.584 -0.034 0.000 1.181 244 A CA 2.161 54.175 52.037 -0.038 0.000 0.623 244 A CB -0.651 18.332 19.000 -0.028 0.000 0.818 244 A HN 0.772 nan 8.150 nan 0.000 0.443 245 E N -0.346 119.842 120.200 -0.020 0.000 2.049 245 E HA -0.218 4.135 4.350 0.004 0.000 0.198 245 E C 1.986 178.576 176.600 -0.016 0.000 1.007 245 E CA 1.411 57.804 56.400 -0.011 0.000 0.809 245 E CB -0.224 29.477 29.700 0.002 0.000 0.749 245 E HN 0.598 nan 8.360 nan 0.000 0.450 246 L N 0.468 121.679 121.223 -0.021 0.000 2.027 246 L HA -0.182 4.160 4.340 0.004 0.000 0.206 246 L C 2.585 179.408 176.870 -0.079 0.000 1.074 246 L CA 0.914 55.736 54.840 -0.030 0.000 0.745 246 L CB -0.196 41.848 42.059 -0.025 0.000 0.898 246 L HN 0.304 nan 8.230 nan 0.000 0.433 247 L N 0.025 121.183 121.223 -0.109 0.000 2.081 247 L HA -0.306 4.037 4.340 0.004 0.000 0.212 247 L C 2.419 179.226 176.870 -0.105 0.000 1.080 247 L CA 1.593 56.345 54.840 -0.148 0.000 0.754 247 L CB -0.286 41.693 42.059 -0.132 0.000 0.893 247 L HN 0.187 nan 8.230 nan 0.000 0.433 248 K N -0.444 119.918 120.400 -0.064 0.000 2.519 248 K HA -0.131 4.192 4.320 0.004 0.000 0.196 248 K C 1.365 177.948 176.600 -0.029 0.000 1.041 248 K CA 0.821 57.083 56.287 -0.041 0.000 0.954 248 K CB 0.118 32.602 32.500 -0.026 0.000 0.774 248 K HN 0.338 nan 8.250 nan 0.000 0.480 249 K N -0.092 120.290 120.400 -0.030 0.000 2.358 249 K HA 0.179 4.502 4.320 0.004 0.000 0.200 249 K C 0.015 176.622 176.600 0.011 0.000 1.030 249 K CA 0.011 56.298 56.287 0.001 0.000 1.097 249 K CB 0.761 33.274 32.500 0.021 0.000 0.862 249 K HN 0.029 nan 8.250 nan 0.000 0.534 250 I N 1.937 122.481 120.570 -0.044 0.000 2.312 250 I HA -0.010 4.163 4.170 0.004 0.000 0.291 250 I C 1.094 177.203 176.117 -0.012 0.000 1.031 250 I CA -0.105 61.166 61.300 -0.049 0.000 1.293 250 I CB 1.615 39.462 38.000 -0.256 0.000 1.403 250 I HN 0.047 nan 8.210 nan 0.000 0.484 251 S N 3.147 118.879 115.700 0.054 0.000 2.354 251 S HA -0.176 4.297 4.470 0.004 0.000 0.219 251 S C 1.157 175.778 174.600 0.034 0.000 1.035 251 S CA 0.906 59.141 58.200 0.059 0.000 1.037 251 S CB -0.199 63.069 63.200 0.113 0.000 0.956 251 S HN 0.752 nan 8.310 nan 0.000 0.428 252 S N 1.949 117.676 115.700 0.045 0.000 2.737 252 S HA -0.087 4.386 4.470 0.004 0.000 0.315 252 S C 1.067 175.672 174.600 0.008 0.000 1.236 252 S CA -0.133 58.088 58.200 0.036 0.000 1.093 252 S CB 0.185 63.424 63.200 0.065 0.000 0.832 252 S HN 0.493 nan 8.310 nan 0.000 0.507 253 E N 3.697 123.902 120.200 0.007 0.000 2.268 253 E HA -0.113 4.240 4.350 0.004 0.000 0.195 253 E C 1.795 178.398 176.600 0.004 0.000 0.995 253 E CA 1.075 57.473 56.400 -0.004 0.000 0.836 253 E CB -0.192 29.508 29.700 -0.000 0.000 0.763 253 E HN 0.740 nan 8.360 nan 0.000 0.491 254 S N -0.389 115.324 115.700 0.022 0.000 2.371 254 S HA -0.067 4.405 4.470 0.004 0.000 0.224 254 S C 1.968 176.612 174.600 0.073 0.000 1.029 254 S CA 1.030 59.255 58.200 0.042 0.000 0.978 254 S CB -0.148 63.075 63.200 0.038 0.000 0.833 254 S HN 0.444 nan 8.310 nan 0.000 0.466 255 A N 1.955 124.815 122.820 0.066 0.000 1.877 255 A HA -0.100 4.223 4.320 0.004 0.000 0.216 255 A C 2.201 179.753 177.584 -0.054 0.000 1.186 255 A CA 1.411 53.493 52.037 0.074 0.000 0.620 255 A CB -0.623 18.409 19.000 0.053 0.000 0.822 255 A HN 0.566 nan 8.150 nan 0.000 0.443 256 R N -0.528 119.906 120.500 -0.110 0.000 2.091 256 R HA -0.160 4.183 4.340 0.004 0.000 0.238 256 R C 2.081 178.328 176.300 -0.089 0.000 1.136 256 R CA 1.737 57.748 56.100 -0.148 0.000 0.959 256 R CB -0.535 29.697 30.300 -0.113 0.000 0.856 256 R HN 0.694 nan 8.270 nan 0.000 0.437 257 N N -0.315 118.371 118.700 -0.023 0.000 2.084 257 N HA -0.227 4.516 4.740 0.004 0.000 0.190 257 N C 1.677 177.205 175.510 0.029 0.000 1.030 257 N CA 1.305 54.357 53.050 0.005 0.000 0.849 257 N CB -0.216 38.292 38.487 0.035 0.000 1.012 257 N HN 0.170 nan 8.380 nan 0.000 0.423 258 Y N 1.766 122.047 120.300 -0.031 0.000 2.097 258 Y HA -0.143 4.410 4.550 0.004 0.000 0.282 258 Y C 1.944 177.832 175.900 -0.019 0.000 1.152 258 Y CA 1.329 59.425 58.100 -0.007 0.000 1.136 258 Y CB -0.620 37.856 38.460 0.028 0.000 0.975 258 Y HN 0.054 nan 8.280 nan 0.000 0.498 259 I N 0.383 120.770 120.570 -0.304 0.000 2.194 259 I HA -0.390 3.783 4.170 0.004 0.000 0.246 259 I C 2.295 178.230 176.117 -0.305 0.000 1.093 259 I CA 1.815 62.886 61.300 -0.381 0.000 1.355 259 I CB -0.512 37.291 38.000 -0.328 0.000 1.046 259 I HN 0.369 nan 8.210 nan 0.000 0.413 260 Q N 0.016 119.691 119.800 -0.208 0.000 2.500 260 Q HA -0.117 4.226 4.340 0.004 0.000 0.213 260 Q C 2.139 178.059 176.000 -0.132 0.000 0.974 260 Q CA 1.444 57.160 55.803 -0.145 0.000 0.918 260 Q CB -0.040 28.638 28.738 -0.100 0.000 0.980 260 Q HN 0.619 nan 8.270 nan 0.000 0.505 261 S N -0.774 114.821 115.700 -0.176 0.000 2.528 261 S HA 0.051 4.524 4.470 0.004 0.000 0.219 261 S C 0.623 175.139 174.600 -0.141 0.000 0.985 261 S CA -0.244 57.882 58.200 -0.123 0.000 0.914 261 S CB 0.181 63.339 63.200 -0.071 0.000 0.776 261 S HN 0.041 nan 8.310 nan 0.000 0.526 262 L N 3.356 124.450 121.223 -0.214 0.000 2.349 262 L HA 0.401 4.744 4.340 0.004 0.000 0.275 262 L C 0.399 177.212 176.870 -0.094 0.000 1.115 262 L CA 0.201 54.943 54.840 -0.163 0.000 0.820 262 L CB 0.523 42.453 42.059 -0.216 0.000 1.135 262 L HN 0.115 nan 8.230 nan 0.000 0.445 263 T N 3.624 118.145 114.554 -0.056 0.000 2.902 263 T HA 0.075 4.428 4.350 0.004 0.000 0.301 263 T C 0.368 175.048 174.700 -0.033 0.000 1.012 263 T CA -0.271 61.808 62.100 -0.035 0.000 1.151 263 T CB -0.030 68.827 68.868 -0.019 0.000 0.946 263 T HN 0.439 nan 8.240 nan 0.000 0.542 264 Q N 2.565 122.348 119.800 -0.029 0.000 2.361 264 Q HA 0.355 4.697 4.340 0.004 0.000 0.276 264 Q C -0.261 175.736 176.000 -0.005 0.000 1.022 264 Q CA 0.384 56.175 55.803 -0.021 0.000 0.898 264 Q CB 0.517 29.242 28.738 -0.020 0.000 1.246 264 Q HN 0.572 nan 8.270 nan 0.000 0.410 265 M N 2.976 122.580 119.600 0.007 0.000 2.518 265 M HA 0.472 4.955 4.480 0.004 0.000 0.300 265 M C -2.398 173.923 176.300 0.035 0.000 1.175 265 M CA -2.077 53.236 55.300 0.021 0.000 0.890 265 M CB 2.563 35.181 32.600 0.029 0.000 1.710 265 M HN 0.456 nan 8.290 nan 0.000 0.453 266 P HA 0.276 nan 4.420 nan 0.000 0.281 266 P C -1.378 175.968 177.300 0.077 0.000 1.264 266 P CA -0.621 62.508 63.100 0.050 0.000 0.824 266 P CB 0.861 32.585 31.700 0.039 0.000 1.092 267 K N 1.180 121.636 120.400 0.093 0.000 2.355 267 K HA 0.184 4.507 4.320 0.004 0.000 0.270 267 K C 0.489 177.176 176.600 0.145 0.000 1.003 267 K CA -0.008 56.366 56.287 0.145 0.000 0.957 267 K CB 0.209 32.791 32.500 0.136 0.000 0.939 267 K HN 0.470 nan 8.250 nan 0.000 0.482 268 M N 1.800 121.520 119.600 0.200 0.000 2.369 268 M HA 0.093 4.576 4.480 0.004 0.000 0.291 268 M C 0.496 176.943 176.300 0.244 0.000 1.178 268 M CA -0.583 54.812 55.300 0.158 0.000 0.996 268 M CB 0.594 33.244 32.600 0.084 0.000 1.472 268 M HN 0.482 nan 8.290 nan 0.000 0.496 269 N N 0.828 119.627 118.700 0.165 0.000 2.406 269 N HA 0.105 4.847 4.740 0.004 0.000 0.251 269 N C 0.063 175.733 175.510 0.266 0.000 1.069 269 N CA 0.082 53.242 53.050 0.183 0.000 0.947 269 N CB 0.400 38.940 38.487 0.089 0.000 1.111 269 N HN 0.410 nan 8.380 nan 0.000 0.497 270 F N 2.275 122.246 119.950 0.035 0.000 2.216 270 F HA -0.075 4.455 4.527 0.004 0.000 0.300 270 F C 2.272 178.128 175.800 0.092 0.000 1.085 270 F CA 0.776 58.828 58.000 0.088 0.000 1.326 270 F CB -0.833 38.311 39.000 0.240 0.000 1.027 270 F HN 0.640 nan 8.300 nan 0.000 0.497 271 A N 0.008 122.983 122.820 0.259 0.000 1.972 271 A HA -0.225 4.098 4.320 0.004 0.000 0.219 271 A C 1.935 179.561 177.584 0.070 0.000 1.169 271 A CA 1.981 54.109 52.037 0.153 0.000 0.635 271 A CB -1.009 18.050 19.000 0.099 0.000 0.810 271 A HN 0.499 nan 8.150 nan 0.000 0.446 272 N N -1.093 117.624 118.700 0.029 0.000 2.412 272 N HA 0.089 4.831 4.740 0.004 0.000 0.184 272 N C 1.139 176.571 175.510 -0.130 0.000 1.101 272 N CA 0.474 53.504 53.050 -0.033 0.000 0.881 272 N CB 0.368 38.842 38.487 -0.022 0.000 0.969 272 N HN 0.286 nan 8.380 nan 0.000 0.459 273 V N -0.189 119.578 119.914 -0.246 0.000 2.521 273 V HA 0.048 4.171 4.120 0.004 0.000 0.239 273 V C 0.027 175.731 176.094 -0.650 0.000 1.053 273 V CA 0.968 62.928 62.300 -0.566 0.000 1.073 273 V CB -0.067 31.172 31.823 -0.974 0.000 0.746 273 V HN 0.123 nan 8.190 nan 0.000 0.476 274 F N 2.006 121.903 119.950 -0.088 0.000 2.640 274 F HA 0.419 4.949 4.527 0.004 0.000 0.331 274 F C 0.457 176.234 175.800 -0.040 0.000 1.200 274 F CA -0.968 56.986 58.000 -0.076 0.000 1.278 274 F CB -0.625 38.331 39.000 -0.072 0.000 1.571 274 F HN -0.045 nan 8.300 nan 0.000 0.576 275 I N 1.436 122.026 120.570 0.034 0.000 2.821 275 I HA 0.033 4.206 4.170 0.004 0.000 0.294 275 I C 1.399 177.545 176.117 0.048 0.000 1.210 275 I CA 0.759 62.077 61.300 0.030 0.000 1.430 275 I CB -0.693 37.303 38.000 -0.006 0.000 1.356 275 I HN 0.770 nan 8.210 nan 0.000 0.563 276 G N 4.345 113.173 108.800 0.047 0.000 2.179 276 G HA2 -0.183 3.779 3.960 0.004 0.000 0.260 276 G HA3 -0.183 3.779 3.960 0.004 0.000 0.260 276 G C 0.439 175.366 174.900 0.046 0.000 0.977 276 G CA 0.164 45.288 45.100 0.040 0.000 0.641 276 G HN 1.113 nan 8.290 nan 0.000 0.533 277 A N -0.120 122.739 122.820 0.064 0.000 2.322 277 A HA 0.621 4.943 4.320 0.004 0.000 0.269 277 A C 0.654 178.253 177.584 0.026 0.000 1.094 277 A CA 0.336 52.399 52.037 0.044 0.000 0.807 277 A CB 0.368 19.392 19.000 0.041 0.000 1.047 277 A HN 1.035 nan 8.150 nan 0.000 0.487 278 N N 1.959 120.672 118.700 0.021 0.000 2.411 278 N HA 0.051 4.793 4.740 0.004 0.000 0.265 278 N C -1.817 173.683 175.510 -0.017 0.000 1.266 278 N CA -1.422 51.647 53.050 0.031 0.000 0.889 278 N CB 0.625 39.175 38.487 0.105 0.000 1.069 278 N HN 0.187 nan 8.380 nan 0.000 0.476 279 P HA -0.181 nan 4.420 nan 0.000 0.217 279 P C 1.397 178.681 177.300 -0.026 0.000 1.148 279 P CA 1.230 64.330 63.100 -0.001 0.000 0.834 279 P CB 0.216 31.925 31.700 0.016 0.000 0.783 280 L N -1.774 119.442 121.223 -0.012 0.000 2.156 280 L HA -0.103 4.240 4.340 0.004 0.000 0.208 280 L C 2.418 179.120 176.870 -0.280 0.000 1.095 280 L CA 1.292 56.144 54.840 0.020 0.000 0.770 280 L CB -0.971 41.192 42.059 0.174 0.000 0.914 280 L HN -0.020 nan 8.230 nan 0.000 0.439 281 A N -0.105 122.382 122.820 -0.555 0.000 1.873 281 A HA -0.127 4.196 4.320 0.004 0.000 0.215 281 A C 2.306 179.593 177.584 -0.496 0.000 1.186 281 A CA 1.520 52.994 52.037 -0.938 0.000 0.616 281 A CB -0.754 17.814 19.000 -0.721 0.000 0.823 281 A HN 0.153 nan 8.150 nan 0.000 0.442 282 V N 0.714 120.474 119.914 -0.256 0.000 2.287 282 V HA -0.304 3.818 4.120 0.004 0.000 0.248 282 V C 2.348 178.383 176.094 -0.099 0.000 1.053 282 V CA 2.606 64.853 62.300 -0.089 0.000 1.027 282 V CB -0.964 30.895 31.823 0.060 0.000 0.646 282 V HN 0.762 nan 8.190 nan 0.000 0.447 283 D N -0.220 120.120 120.400 -0.101 0.000 2.104 283 D HA -0.221 4.421 4.640 0.004 0.000 0.194 283 D C 1.971 178.183 176.300 -0.147 0.000 0.994 283 D CA 1.488 55.447 54.000 -0.067 0.000 0.830 283 D CB -0.162 40.675 40.800 0.063 0.000 0.959 283 D HN 0.281 nan 8.370 nan 0.000 0.452 284 L N 0.154 121.172 121.223 -0.342 0.000 2.083 284 L HA -0.046 4.297 4.340 0.004 0.000 0.209 284 L C 2.077 178.774 176.870 -0.289 0.000 1.083 284 L CA 1.437 55.956 54.840 -0.536 0.000 0.752 284 L CB -0.514 41.052 42.059 -0.822 0.000 0.899 284 L HN 0.236 nan 8.230 nan 0.000 0.433 285 L N -0.833 120.243 121.223 -0.245 0.000 2.046 285 L HA -0.221 4.122 4.340 0.004 0.000 0.208 285 L C 2.491 179.367 176.870 0.011 0.000 1.077 285 L CA 1.477 56.253 54.840 -0.106 0.000 0.747 285 L CB -0.498 41.487 42.059 -0.122 0.000 0.896 285 L HN 0.338 nan 8.230 nan 0.000 0.432 286 E N -0.160 119.916 120.200 -0.207 0.000 2.204 286 E HA -0.200 4.153 4.350 0.004 0.000 0.195 286 E C 2.010 178.476 176.600 -0.223 0.000 0.990 286 E CA 0.873 56.939 56.400 -0.557 0.000 0.821 286 E CB 0.189 29.494 29.700 -0.658 0.000 0.750 286 E HN 0.356 nan 8.360 nan 0.000 0.477 287 K N -0.489 119.834 120.400 -0.127 0.000 2.305 287 K HA 0.054 4.377 4.320 0.004 0.000 0.199 287 K C 1.833 178.436 176.600 0.004 0.000 1.047 287 K CA 0.553 56.813 56.287 -0.044 0.000 0.976 287 K CB 0.177 32.664 32.500 -0.022 0.000 0.765 287 K HN 0.216 nan 8.250 nan 0.000 0.474 288 M N 0.093 119.683 119.600 -0.016 0.000 2.429 288 M HA 0.005 4.488 4.480 0.004 0.000 0.265 288 M C 0.313 176.626 176.300 0.022 0.000 1.120 288 M CA 0.567 55.872 55.300 0.009 0.000 1.173 288 M CB 0.219 32.791 32.600 -0.047 0.000 1.343 288 M HN -0.101 nan 8.290 nan 0.000 0.464 289 L N 1.830 123.040 121.223 -0.022 0.000 2.583 289 L HA 0.201 4.544 4.340 0.004 0.000 0.239 289 L C -0.577 176.448 176.870 0.257 0.000 1.347 289 L CA -0.008 54.768 54.840 -0.106 0.000 1.246 289 L CB -1.056 40.983 42.059 -0.033 0.000 1.496 289 L HN -0.093 nan 8.230 nan 0.000 0.413 290 V N 1.182 121.318 119.914 0.369 0.000 2.435 290 V HA 0.158 4.281 4.120 0.004 0.000 0.290 290 V C 1.225 177.590 176.094 0.452 0.000 1.030 290 V CA -0.640 61.865 62.300 0.341 0.000 0.881 290 V CB 2.244 34.189 31.823 0.203 0.000 0.983 290 V HN 0.353 nan 8.190 nan 0.000 0.445 291 L N 2.833 124.272 121.223 0.360 0.000 2.012 291 L HA -0.037 4.305 4.340 0.004 0.000 0.210 291 L C 1.269 178.250 176.870 0.185 0.000 1.073 291 L CA 1.802 56.795 54.840 0.254 0.000 0.748 291 L CB -0.408 41.776 42.059 0.207 0.000 0.891 291 L HN 0.752 nan 8.230 nan 0.000 0.431 292 D N -1.183 119.315 120.400 0.164 0.000 2.358 292 D HA -0.006 4.636 4.640 0.004 0.000 0.258 292 D C 1.399 177.782 176.300 0.139 0.000 1.223 292 D CA 0.735 54.813 54.000 0.130 0.000 0.886 292 D CB 1.293 42.151 40.800 0.097 0.000 1.120 292 D HN 0.386 nan 8.370 nan 0.000 0.482 293 S N 2.729 118.507 115.700 0.129 0.000 2.423 293 S HA -0.161 4.311 4.470 0.004 0.000 0.231 293 S C 1.207 175.872 174.600 0.108 0.000 1.014 293 S CA 0.597 58.873 58.200 0.126 0.000 0.965 293 S CB 0.149 63.416 63.200 0.112 0.000 0.785 293 S HN 0.410 nan 8.310 nan 0.000 0.495 294 D N 2.042 122.497 120.400 0.093 0.000 2.219 294 D HA 0.009 4.652 4.640 0.004 0.000 0.205 294 D C 1.514 177.859 176.300 0.074 0.000 0.970 294 D CA 0.993 55.038 54.000 0.074 0.000 0.851 294 D CB -0.103 40.734 40.800 0.062 0.000 0.943 294 D HN 0.587 nan 8.370 nan 0.000 0.488 295 K N 0.147 120.598 120.400 0.084 0.000 2.387 295 K HA 0.153 4.476 4.320 0.004 0.000 0.198 295 K C 0.730 177.386 176.600 0.094 0.000 1.022 295 K CA -0.275 56.060 56.287 0.080 0.000 1.128 295 K CB 1.013 33.557 32.500 0.074 0.000 0.853 295 K HN -0.056 nan 8.250 nan 0.000 0.523 296 R N 1.433 122.001 120.500 0.114 0.000 2.582 296 R HA 0.233 4.575 4.340 0.004 0.000 0.271 296 R C 0.148 176.509 176.300 0.102 0.000 1.078 296 R CA -0.218 55.960 56.100 0.129 0.000 1.127 296 R CB 0.603 31.004 30.300 0.169 0.000 1.038 296 R HN 0.093 nan 8.270 nan 0.000 0.500 297 I N 1.610 122.237 120.570 0.095 0.000 2.779 297 I HA 0.029 4.201 4.170 0.004 0.000 0.285 297 I C 0.387 176.562 176.117 0.097 0.000 1.134 297 I CA 0.147 61.500 61.300 0.088 0.000 1.398 297 I CB 1.046 39.093 38.000 0.079 0.000 1.404 297 I HN 0.726 nan 8.210 nan 0.000 0.587 298 T N 3.535 118.147 114.554 0.097 0.000 2.918 298 T HA 0.474 4.827 4.350 0.004 0.000 0.283 298 T C 1.008 175.777 174.700 0.114 0.000 1.001 298 T CA -0.190 61.975 62.100 0.108 0.000 1.041 298 T CB 1.695 70.622 68.868 0.099 0.000 1.028 298 T HN 0.711 nan 8.240 nan 0.000 0.511 299 A N 1.596 124.499 122.820 0.137 0.000 1.873 299 A HA 0.079 4.401 4.320 0.004 0.000 0.218 299 A C 2.653 180.271 177.584 0.056 0.000 1.193 299 A CA 2.167 54.250 52.037 0.076 0.000 0.629 299 A CB -1.622 17.411 19.000 0.055 0.000 0.826 299 A HN 1.317 nan 8.150 nan 0.000 0.447 300 A N -1.073 121.795 122.820 0.081 0.000 1.908 300 A HA -0.243 4.080 4.320 0.004 0.000 0.218 300 A C 2.149 179.783 177.584 0.083 0.000 1.181 300 A CA 1.818 53.904 52.037 0.082 0.000 0.627 300 A CB -0.572 18.485 19.000 0.095 0.000 0.818 300 A HN 0.685 nan 8.150 nan 0.000 0.445 301 Q N -0.955 118.901 119.800 0.093 0.000 2.083 301 Q HA -0.034 4.308 4.340 0.004 0.000 0.198 301 Q C 2.472 178.551 176.000 0.131 0.000 0.969 301 Q CA 1.151 57.015 55.803 0.102 0.000 0.838 301 Q CB -0.349 28.450 28.738 0.102 0.000 0.900 301 Q HN 0.684 nan 8.270 nan 0.000 0.436 302 A N 1.031 123.939 122.820 0.146 0.000 1.908 302 A HA -0.183 4.139 4.320 0.004 0.000 0.218 302 A C 2.063 179.856 177.584 0.350 0.000 1.181 302 A CA 1.131 53.311 52.037 0.238 0.000 0.627 302 A CB -0.765 18.351 19.000 0.194 0.000 0.818 302 A HN 0.303 nan 8.150 nan 0.000 0.445 303 L N -0.895 120.407 121.223 0.133 0.000 2.079 303 L HA -0.236 4.106 4.340 0.004 0.000 0.210 303 L C 2.927 179.676 176.870 -0.202 0.000 1.081 303 L CA 1.166 56.023 54.840 0.030 0.000 0.752 303 L CB -0.474 41.569 42.059 -0.026 0.000 0.896 303 L HN 0.454 nan 8.230 nan 0.000 0.433 304 A N -2.110 120.579 122.820 -0.218 0.000 2.168 304 A HA -0.118 4.204 4.320 0.004 0.000 0.215 304 A C 1.135 178.738 177.584 0.032 0.000 1.152 304 A CA 0.160 52.039 52.037 -0.264 0.000 0.716 304 A CB -0.732 18.255 19.000 -0.021 0.000 0.794 304 A HN 0.364 nan 8.150 nan 0.000 0.465 305 H N -0.043 119.078 119.070 0.086 0.000 2.897 305 H HA 0.216 4.774 4.556 0.004 0.000 0.347 305 H C 1.363 176.726 175.328 0.059 0.000 1.068 305 H CA 0.518 56.614 56.048 0.080 0.000 1.426 305 H CB 0.942 30.753 29.762 0.082 0.000 1.410 305 H HN 0.170 nan 8.280 nan 0.000 0.597 306 A N 4.992 127.693 122.820 -0.198 0.000 2.259 306 A HA -0.207 4.116 4.320 0.004 0.000 0.212 306 A C 1.699 179.331 177.584 0.080 0.000 1.178 306 A CA 0.715 52.722 52.037 -0.051 0.000 0.734 306 A CB -0.701 18.216 19.000 -0.139 0.000 0.774 306 A HN 0.805 nan 8.150 nan 0.000 0.481 307 Y N -0.774 119.528 120.300 0.003 0.000 2.457 307 Y HA 0.065 4.618 4.550 0.004 0.000 0.292 307 Y C 0.438 176.128 175.900 -0.351 0.000 1.125 307 Y CA 0.393 58.336 58.100 -0.261 0.000 1.254 307 Y CB -0.048 38.092 38.460 -0.532 0.000 1.012 307 Y HN 0.295 nan 8.280 nan 0.000 0.555 308 F N -0.881 119.170 119.950 0.167 0.000 2.850 308 F HA 0.458 4.988 4.527 0.004 0.000 0.306 308 F C 1.753 177.618 175.800 0.108 0.000 1.162 308 F CA -0.046 58.027 58.000 0.122 0.000 1.327 308 F CB -0.839 38.318 39.000 0.261 0.000 0.953 308 F HN 0.044 nan 8.300 nan 0.000 0.507 309 A N 0.212 123.120 122.820 0.147 0.000 1.940 309 A HA -0.206 4.116 4.320 0.004 0.000 0.219 309 A C 2.213 179.790 177.584 -0.011 0.000 1.176 309 A CA 1.540 53.633 52.037 0.093 0.000 0.631 309 A CB -0.319 18.699 19.000 0.030 0.000 0.814 309 A HN 0.375 nan 8.150 nan 0.000 0.446 310 Q N -1.920 117.795 119.800 -0.141 0.000 2.364 310 Q HA -0.125 4.218 4.340 0.004 0.000 0.207 310 Q C 0.852 176.473 176.000 -0.632 0.000 0.970 310 Q CA 1.321 56.872 55.803 -0.421 0.000 0.888 310 Q CB -0.284 28.074 28.738 -0.634 0.000 0.951 310 Q HN 0.932 nan 8.270 nan 0.000 0.469 311 Y N -1.642 118.566 120.300 -0.153 0.000 2.452 311 Y HA 0.168 4.720 4.550 0.004 0.000 0.262 311 Y C 0.936 176.608 175.900 -0.380 0.000 1.089 311 Y CA -0.638 57.222 58.100 -0.401 0.000 1.262 311 Y CB 0.097 38.026 38.460 -0.885 0.000 1.236 311 Y HN 0.162 nan 8.280 nan 0.000 0.512 312 H N 2.122 121.165 119.070 -0.045 0.000 2.964 312 H HA 0.081 4.640 4.556 0.004 0.000 0.328 312 H C -0.918 174.492 175.328 0.138 0.000 1.030 312 H CA 0.762 56.911 56.048 0.169 0.000 1.445 312 H CB 0.598 30.517 29.762 0.262 0.000 1.449 312 H HN 0.159 nan 8.280 nan 0.000 0.581 313 D N 7.758 128.066 120.400 -0.152 0.000 2.319 313 D HA 0.113 4.755 4.640 0.004 0.000 0.237 313 D C -1.962 174.251 176.300 -0.144 0.000 1.353 313 D CA -1.829 52.047 54.000 -0.208 0.000 0.992 313 D CB 1.577 42.365 40.800 -0.020 0.000 1.368 313 D HN 0.304 nan 8.370 nan 0.000 0.564 314 P HA -0.134 nan 4.420 nan 0.000 0.218 314 P C 0.562 177.888 177.300 0.045 0.000 1.146 314 P CA 0.977 64.073 63.100 -0.006 0.000 0.820 314 P CB 0.567 32.270 31.700 0.006 0.000 0.778 315 D N -0.886 119.522 120.400 0.014 0.000 2.347 315 D HA -0.055 4.588 4.640 0.004 0.000 0.213 315 D C 0.491 176.818 176.300 0.045 0.000 0.985 315 D CA 0.857 54.876 54.000 0.032 0.000 0.879 315 D CB -0.109 40.700 40.800 0.016 0.000 0.919 315 D HN 0.168 nan 8.370 nan 0.000 0.526 316 D N 0.775 121.209 120.400 0.058 0.000 3.068 316 D HA 0.115 4.757 4.640 0.004 0.000 0.327 316 D C -0.729 175.636 176.300 0.108 0.000 1.361 316 D CA -0.114 53.927 54.000 0.069 0.000 0.877 316 D CB -0.169 40.673 40.800 0.071 0.000 1.088 316 D HN -0.046 nan 8.370 nan 0.000 0.489 317 E N 1.260 121.530 120.200 0.118 0.000 3.428 317 E HA 0.167 4.519 4.350 0.004 0.000 0.286 317 E C -2.459 174.245 176.600 0.173 0.000 1.204 317 E CA -1.315 55.178 56.400 0.155 0.000 1.015 317 E CB 1.412 31.224 29.700 0.187 0.000 1.370 317 E HN 0.206 nan 8.360 nan 0.000 0.391 318 P HA -0.018 nan 4.420 nan 0.000 0.269 318 P C 0.104 177.594 177.300 0.317 0.000 1.217 318 P CA -0.124 63.108 63.100 0.219 0.000 0.783 318 P CB 0.805 32.618 31.700 0.188 0.000 0.898 319 V N -2.120 117.932 119.914 0.231 0.000 3.096 319 V HA 0.884 5.006 4.120 0.004 0.000 0.319 319 V C 0.014 176.141 176.094 0.055 0.000 1.103 319 V CA -1.292 61.084 62.300 0.127 0.000 1.016 319 V CB 0.952 32.815 31.823 0.066 0.000 1.090 319 V HN 0.727 nan 8.190 nan 0.000 0.449 320 A N 0.328 122.977 122.820 -0.285 0.000 2.264 320 A HA 0.582 4.905 4.320 0.004 0.000 0.304 320 A C -0.099 177.458 177.584 -0.045 0.000 1.100 320 A CA -0.594 51.209 52.037 -0.390 0.000 0.839 320 A CB 0.198 18.657 19.000 -0.902 0.000 1.121 320 A HN 0.943 nan 8.150 nan 0.000 0.496 321 D N 1.131 121.551 120.400 0.034 0.000 2.357 321 D HA 0.294 4.937 4.640 0.004 0.000 0.242 321 D C -2.153 174.301 176.300 0.257 0.000 1.153 321 D CA -0.531 53.545 54.000 0.128 0.000 0.918 321 D CB 0.339 41.209 40.800 0.116 0.000 1.181 321 D HN 0.260 nan 8.370 nan 0.000 0.435 322 P HA -0.048 nan 4.420 nan 0.000 0.266 322 P C -0.819 176.603 177.300 0.203 0.000 1.195 322 P CA 0.160 63.359 63.100 0.166 0.000 0.768 322 P CB 0.100 31.863 31.700 0.105 0.000 0.838 323 Y N 2.367 122.613 120.300 -0.090 0.000 2.388 323 Y HA 0.241 4.793 4.550 0.004 0.000 0.328 323 Y C -0.187 175.641 175.900 -0.120 0.000 0.963 323 Y CA -1.055 56.840 58.100 -0.343 0.000 1.240 323 Y CB 0.655 38.753 38.460 -0.604 0.000 1.118 323 Y HN 0.242 nan 8.280 nan 0.000 0.484 324 D N 5.724 125.871 120.400 -0.422 0.000 2.348 324 D HA 0.024 4.667 4.640 0.004 0.000 0.259 324 D C -0.240 175.831 176.300 -0.381 0.000 1.296 324 D CA 0.349 54.173 54.000 -0.293 0.000 0.931 324 D CB 0.764 41.498 40.800 -0.110 0.000 1.067 324 D HN 0.830 nan 8.370 nan 0.000 0.503 325 Q N 1.587 121.208 119.800 -0.298 0.000 2.201 325 Q HA 0.081 4.423 4.340 0.004 0.000 0.236 325 Q C 1.389 177.203 176.000 -0.310 0.000 0.857 325 Q CA -0.298 55.360 55.803 -0.241 0.000 1.025 325 Q CB 0.265 28.868 28.738 -0.224 0.000 1.124 325 Q HN 0.358 nan 8.270 nan 0.000 0.473 326 S N 0.768 116.425 115.700 -0.072 0.000 2.442 326 S HA -0.196 4.276 4.470 0.004 0.000 0.236 326 S C 1.680 176.269 174.600 -0.018 0.000 1.007 326 S CA 0.789 58.959 58.200 -0.049 0.000 0.965 326 S CB -0.819 62.392 63.200 0.018 0.000 0.773 326 S HN 0.644 nan 8.310 nan 0.000 0.504 327 F N 2.158 122.173 119.950 0.109 0.000 2.408 327 F HA 0.150 4.680 4.527 0.005 0.000 0.300 327 F C 1.893 177.880 175.800 0.311 0.000 1.090 327 F CA 0.660 58.803 58.000 0.238 0.000 1.427 327 F CB -0.670 38.585 39.000 0.424 0.000 1.070 327 F HN 0.076 nan 8.300 nan 0.000 0.549 328 E N 0.713 120.530 120.200 -0.637 0.000 2.208 328 E HA -0.080 4.273 4.350 0.004 0.000 0.193 328 E C 1.873 178.438 176.600 -0.059 0.000 0.988 328 E CA 1.106 57.281 56.400 -0.375 0.000 0.828 328 E CB -0.252 29.163 29.700 -0.475 0.000 0.763 328 E HN 0.499 nan 8.360 nan 0.000 0.478 329 S N 0.543 116.218 115.700 -0.041 0.000 2.575 329 S HA 0.078 4.551 4.470 0.004 0.000 0.215 329 S C 0.893 175.525 174.600 0.053 0.000 0.966 329 S CA -0.300 57.904 58.200 0.006 0.000 0.911 329 S CB 0.324 63.512 63.200 -0.020 0.000 0.780 329 S HN 0.009 nan 8.310 nan 0.000 0.514 330 R N 2.550 123.116 120.500 0.111 0.000 2.543 330 R HA 0.223 4.565 4.340 0.004 0.000 0.277 330 R C -0.844 175.516 176.300 0.100 0.000 1.074 330 R CA 0.099 56.247 56.100 0.079 0.000 1.076 330 R CB 0.253 30.596 30.300 0.073 0.000 0.993 330 R HN -0.070 nan 8.270 nan 0.000 0.459 331 D N 3.806 124.197 120.400 -0.015 0.000 2.438 331 D HA 0.271 4.914 4.640 0.004 0.000 0.257 331 D C -1.051 175.165 176.300 -0.139 0.000 1.148 331 D CA -0.254 53.746 54.000 -0.001 0.000 0.902 331 D CB 0.156 40.961 40.800 0.009 0.000 1.062 331 D HN 0.337 nan 8.370 nan 0.000 0.518 332 L N 1.598 122.644 121.223 -0.295 0.000 2.298 332 L HA 0.620 4.963 4.340 0.004 0.000 0.268 332 L C -0.029 176.677 176.870 -0.273 0.000 1.010 332 L CA -1.328 53.207 54.840 -0.509 0.000 0.812 332 L CB 1.087 42.446 42.059 -1.167 0.000 1.331 332 L HN 0.143 nan 8.230 nan 0.000 0.450 333 L N -0.151 120.935 121.223 -0.227 0.000 2.400 333 L HA 0.400 4.742 4.340 0.004 0.000 0.264 333 L C 1.285 178.194 176.870 0.065 0.000 1.061 333 L CA -0.550 54.272 54.840 -0.029 0.000 0.799 333 L CB 0.488 42.524 42.059 -0.037 0.000 1.240 333 L HN 0.464 nan 8.230 nan 0.000 0.461 334 I N 0.052 120.728 120.570 0.177 0.000 2.113 334 I HA -0.340 3.832 4.170 0.004 0.000 0.242 334 I C 1.607 177.800 176.117 0.127 0.000 1.057 334 I CA 2.132 63.578 61.300 0.243 0.000 1.314 334 I CB -0.448 37.651 38.000 0.165 0.000 1.022 334 I HN 0.831 nan 8.210 nan 0.000 0.408 335 D N 0.372 120.779 120.400 0.012 0.000 2.221 335 D HA -0.181 4.462 4.640 0.004 0.000 0.204 335 D C 2.072 178.320 176.300 -0.086 0.000 0.982 335 D CA 1.016 54.978 54.000 -0.062 0.000 0.857 335 D CB -0.086 40.674 40.800 -0.066 0.000 0.934 335 D HN 0.442 nan 8.370 nan 0.000 0.475 336 E N -0.850 119.275 120.200 -0.125 0.000 2.158 336 E HA -0.074 4.279 4.350 0.004 0.000 0.191 336 E C 1.555 178.030 176.600 -0.208 0.000 0.982 336 E CA 0.420 56.690 56.400 -0.216 0.000 0.823 336 E CB -0.008 29.491 29.700 -0.336 0.000 0.766 336 E HN 0.470 nan 8.360 nan 0.000 0.468 337 W N 1.340 122.584 121.300 -0.093 0.000 2.407 337 W HA -0.096 4.567 4.660 0.004 0.000 0.305 337 W C 2.446 178.932 176.519 -0.055 0.000 1.196 337 W CA 0.547 57.836 57.345 -0.093 0.000 1.311 337 W CB 0.088 29.573 29.460 0.041 0.000 1.135 337 W HN -0.036 nan 8.180 nan 0.000 0.514 338 K N 0.430 120.866 120.400 0.060 0.000 2.020 338 K HA -0.275 4.048 4.320 0.004 0.000 0.212 338 K C 2.332 178.948 176.600 0.026 0.000 1.050 338 K CA 2.080 58.149 56.287 -0.363 0.000 0.929 338 K CB -0.639 31.493 32.500 -0.613 0.000 0.714 338 K HN -0.020 nan 8.250 nan 0.000 0.443 339 S N -0.269 115.437 115.700 0.010 0.000 2.399 339 S HA -0.099 4.373 4.470 0.004 0.000 0.231 339 S C 1.822 176.497 174.600 0.126 0.000 1.022 339 S CA 0.845 59.082 58.200 0.061 0.000 0.983 339 S CB -0.196 62.994 63.200 -0.017 0.000 0.803 339 S HN 0.273 nan 8.310 nan 0.000 0.480 340 L N 1.543 122.818 121.223 0.087 0.000 2.072 340 L HA 0.049 4.392 4.340 0.004 0.000 0.205 340 L C 2.703 179.771 176.870 0.329 0.000 1.079 340 L CA 1.897 56.795 54.840 0.097 0.000 0.752 340 L CB -1.617 40.316 42.059 -0.210 0.000 0.906 340 L HN 0.305 nan 8.230 nan 0.000 0.436 341 T N -1.752 113.069 114.554 0.446 0.000 2.708 341 T HA -0.274 4.079 4.350 0.004 0.000 0.266 341 T C 1.765 176.653 174.700 0.314 0.000 1.037 341 T CA 1.733 64.165 62.100 0.554 0.000 1.146 341 T CB -0.483 68.839 68.868 0.757 0.000 0.865 341 T HN 0.304 nan 8.240 nan 0.000 0.435 342 Y N 2.010 122.321 120.300 0.018 0.000 2.207 342 Y HA -0.168 4.384 4.550 0.004 0.000 0.287 342 Y C 2.098 177.880 175.900 -0.197 0.000 1.156 342 Y CA 1.293 59.115 58.100 -0.464 0.000 1.182 342 Y CB -0.348 37.745 38.460 -0.612 0.000 0.979 342 Y HN 0.133 nan 8.280 nan 0.000 0.521 343 D N -0.190 120.215 120.400 0.009 0.000 2.144 343 D HA -0.139 4.503 4.640 0.004 0.000 0.200 343 D C 1.955 178.240 176.300 -0.024 0.000 0.978 343 D CA 1.193 55.179 54.000 -0.022 0.000 0.833 343 D CB 0.001 40.844 40.800 0.072 0.000 0.961 343 D HN 0.463 nan 8.370 nan 0.000 0.470 344 E N 0.207 120.439 120.200 0.052 0.000 2.158 344 E HA -0.052 4.301 4.350 0.004 0.000 0.191 344 E C 2.353 178.975 176.600 0.036 0.000 0.982 344 E CA 0.155 56.596 56.400 0.068 0.000 0.823 344 E CB 0.067 29.824 29.700 0.095 0.000 0.766 344 E HN 0.152 nan 8.360 nan 0.000 0.468 345 V N 1.326 121.211 119.914 -0.048 0.000 2.270 345 V HA -0.229 3.894 4.120 0.004 0.000 0.245 345 V C 2.297 178.343 176.094 -0.080 0.000 1.043 345 V CA 1.218 63.475 62.300 -0.072 0.000 1.014 345 V CB -0.320 31.396 31.823 -0.178 0.000 0.645 345 V HN 0.139 nan 8.190 nan 0.000 0.447 346 I N 1.046 121.456 120.570 -0.267 0.000 2.286 346 I HA -0.177 3.996 4.170 0.004 0.000 0.248 346 I C 2.576 178.655 176.117 -0.063 0.000 1.115 346 I CA 1.983 63.143 61.300 -0.233 0.000 1.392 346 I CB -0.590 37.153 38.000 -0.428 0.000 1.065 346 I HN 0.462 nan 8.210 nan 0.000 0.418 347 S N -0.441 115.246 115.700 -0.022 0.000 2.496 347 S HA -0.036 4.437 4.470 0.004 0.000 0.224 347 S C 1.046 175.677 174.600 0.051 0.000 0.996 347 S CA -0.411 57.798 58.200 0.014 0.000 0.927 347 S CB -0.885 62.326 63.200 0.018 0.000 0.774 347 S HN 0.201 nan 8.310 nan 0.000 0.524 348 F N 3.163 123.101 119.950 -0.020 0.000 2.579 348 F HA 0.249 4.778 4.527 0.005 0.000 0.397 348 F C -0.363 175.442 175.800 0.009 0.000 1.027 348 F CA -0.038 57.964 58.000 0.003 0.000 1.217 348 F CB 0.380 39.389 39.000 0.015 0.000 0.986 348 F HN -0.048 nan 8.300 nan 0.000 0.551 349 V N 8.932 128.285 119.914 -0.935 0.000 2.378 349 V HA 0.317 4.439 4.120 0.004 0.000 0.288 349 V C -1.862 173.560 176.094 -1.121 0.000 1.016 349 V CA -1.688 60.179 62.300 -0.720 0.000 0.840 349 V CB 1.372 32.987 31.823 -0.347 0.000 0.994 349 V HN 0.698 nan 8.190 nan 0.000 0.431 350 P HA 0.192 nan 4.420 nan 0.000 0.267 350 P C -2.608 174.594 177.300 -0.164 0.000 1.200 350 P CA -1.083 61.809 63.100 -0.347 0.000 0.772 350 P CB -0.109 31.589 31.700 -0.002 0.000 0.855 351 P HA 0.190 nan 4.420 nan 0.000 0.271 351 P C -2.246 175.058 177.300 0.006 0.000 1.220 351 P CA -1.286 61.821 63.100 0.012 0.000 0.768 351 P CB -0.718 31.033 31.700 0.085 0.000 0.848 352 P HA 0.211 nan 4.420 nan 0.000 0.282 352 P C -0.283 177.021 177.300 0.007 0.000 1.262 352 P CA -0.168 62.926 63.100 -0.009 0.000 0.773 352 P CB 0.702 32.390 31.700 -0.019 0.000 0.879 353 L N 0.821 122.049 121.223 0.008 0.000 2.332 353 L HA 0.733 5.075 4.340 0.004 0.000 0.269 353 L C -0.468 176.405 176.870 0.006 0.000 1.016 353 L CA -0.812 54.037 54.840 0.015 0.000 0.809 353 L CB 1.481 43.553 42.059 0.021 0.000 1.280 353 L HN 0.043 nan 8.230 nan 0.000 0.447 354 D N 0.000 120.405 120.400 0.008 0.000 6.856 354 D HA 0.000 4.643 4.640 0.004 0.000 0.175 354 D CA 0.000 54.002 54.000 0.004 0.000 0.868 354 D CB 0.000 40.803 40.800 0.004 0.000 0.688 354 D HN 0.000 nan 8.370 nan 0.000 0.683