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 1bl7_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 0.000 176.637 176.600 0.061 0.000 1.382 4 E CA 0.000 56.424 56.400 0.040 0.000 0.976 4 E CB 0.000 29.723 29.700 0.038 0.000 0.812 5 R N 0.546 121.085 120.500 0.066 0.000 1.024 5 R HA -0.105 4.239 4.340 0.007 0.000 0.429 5 R C -2.436 173.928 176.300 0.106 0.000 1.365 5 R CA 0.130 56.294 56.100 0.106 0.000 1.302 5 R CB -0.906 29.487 30.300 0.155 0.000 3.631 5 R HN 0.440 nan 8.270 nan 0.000 0.508 6 P HA 0.052 nan 4.420 nan 0.000 0.271 6 P C -0.522 176.815 177.300 0.062 0.000 1.244 6 P CA -0.098 62.990 63.100 -0.020 0.000 0.793 6 P CB 0.449 32.033 31.700 -0.195 0.000 0.984 7 T N 1.170 115.717 114.554 -0.011 0.000 2.845 7 T HA 0.421 4.775 4.350 0.007 0.000 0.288 7 T C -0.097 174.620 174.700 0.029 0.000 0.980 7 T CA 0.191 62.349 62.100 0.098 0.000 1.071 7 T CB -0.127 68.775 68.868 0.057 0.000 0.941 7 T HN 0.113 nan 8.240 nan 0.000 0.487 8 F N 2.167 122.137 119.950 0.033 0.000 2.497 8 F HA 0.632 5.163 4.527 0.005 0.000 0.331 8 F C -0.139 175.752 175.800 0.151 0.000 1.060 8 F CA -1.195 56.825 58.000 0.034 0.000 0.989 8 F CB 1.230 40.216 39.000 -0.023 0.000 1.245 8 F HN 0.587 nan 8.300 nan 0.000 0.486 9 Y N -0.177 120.225 120.300 0.169 0.000 2.441 9 Y HA 0.599 5.152 4.550 0.005 0.000 0.334 9 Y C -1.016 174.978 175.900 0.156 0.000 1.061 9 Y CA -1.643 56.533 58.100 0.127 0.000 1.032 9 Y CB 1.146 39.647 38.460 0.068 0.000 1.266 9 Y HN 0.667 nan 8.280 nan 0.000 0.441 10 R N 4.209 124.795 120.500 0.144 0.000 2.474 10 R HA 0.679 5.023 4.340 0.007 0.000 0.295 10 R C -1.529 174.855 176.300 0.141 0.000 0.980 10 R CA -0.598 55.557 56.100 0.092 0.000 0.934 10 R CB 1.909 32.281 30.300 0.120 0.000 1.101 10 R HN 0.992 nan 8.270 nan 0.000 0.469 11 Q N 1.609 121.490 119.800 0.136 0.000 2.268 11 Q HA 0.247 4.591 4.340 0.007 0.000 0.266 11 Q C -1.325 174.783 176.000 0.181 0.000 1.006 11 Q CA -0.940 54.959 55.803 0.159 0.000 0.824 11 Q CB 1.963 30.803 28.738 0.170 0.000 1.306 11 Q HN 0.623 nan 8.270 nan 0.000 0.424 12 E N 2.715 123.005 120.200 0.150 0.000 2.299 12 E HA 0.149 4.503 4.350 0.007 0.000 0.272 12 E C -1.288 175.398 176.600 0.143 0.000 1.043 12 E CA -0.133 56.360 56.400 0.154 0.000 0.895 12 E CB 0.694 30.458 29.700 0.107 0.000 1.011 12 E HN 0.485 nan 8.360 nan 0.000 0.432 13 L N 5.131 126.474 121.223 0.200 0.000 2.342 13 L HA 0.203 4.547 4.340 0.007 0.000 0.276 13 L C -0.635 176.317 176.870 0.136 0.000 0.997 13 L CA -0.366 54.544 54.840 0.117 0.000 0.838 13 L CB 0.954 42.995 42.059 -0.030 0.000 1.224 13 L HN 0.493 nan 8.230 nan 0.000 0.416 14 N N 4.192 122.940 118.700 0.079 0.000 2.686 14 N HA -0.231 4.513 4.740 0.007 0.000 0.261 14 N C -0.354 175.207 175.510 0.086 0.000 1.001 14 N CA 0.855 53.946 53.050 0.069 0.000 0.764 14 N CB -0.694 37.828 38.487 0.057 0.000 0.898 14 N HN 0.513 nan 8.380 nan 0.000 0.544 15 K N -3.620 116.830 120.400 0.083 0.000 3.117 15 K HA -0.178 4.146 4.320 0.007 0.000 0.269 15 K C -0.677 175.972 176.600 0.082 0.000 1.098 15 K CA 1.270 57.598 56.287 0.069 0.000 0.785 15 K CB -2.719 29.805 32.500 0.040 0.000 1.242 15 K HN 0.583 nan 8.250 nan 0.000 0.491 16 T N 0.503 115.147 114.554 0.150 0.000 3.170 16 T HA 0.385 4.739 4.350 0.007 0.000 0.315 16 T C 0.185 175.031 174.700 0.244 0.000 0.967 16 T CA -0.800 61.393 62.100 0.154 0.000 1.024 16 T CB 1.509 70.540 68.868 0.272 0.000 1.018 16 T HN 0.040 nan 8.240 nan 0.000 0.449 17 I N 3.146 123.778 120.570 0.104 0.000 2.505 17 I HA 0.159 4.334 4.170 0.007 0.000 0.287 17 I C -0.570 175.641 176.117 0.156 0.000 1.104 17 I CA -0.323 61.071 61.300 0.157 0.000 1.387 17 I CB -0.052 38.000 38.000 0.088 0.000 1.404 17 I HN 0.674 nan 8.210 nan 0.000 0.528 18 W N 5.935 127.310 121.300 0.126 0.000 2.376 18 W HA 0.400 5.066 4.660 0.009 0.000 0.312 18 W C 0.477 177.050 176.519 0.090 0.000 1.060 18 W CA -0.561 56.910 57.345 0.210 0.000 1.221 18 W CB 0.847 30.402 29.460 0.158 0.000 1.281 18 W HN 0.411 nan 8.180 nan 0.000 0.456 19 E N 3.236 123.600 120.200 0.274 0.000 2.346 19 E HA 0.375 4.729 4.350 0.007 0.000 0.239 19 E C -0.953 175.686 176.600 0.066 0.000 0.943 19 E CA -0.400 56.077 56.400 0.128 0.000 0.751 19 E CB 0.856 30.652 29.700 0.160 0.000 1.241 19 E HN 0.363 nan 8.360 nan 0.000 0.423 20 V N 1.028 120.874 119.914 -0.113 0.000 2.960 20 V HA 0.726 4.850 4.120 0.007 0.000 0.315 20 V C -2.723 173.014 176.094 -0.595 0.000 1.087 20 V CA -2.949 59.145 62.300 -0.343 0.000 0.982 20 V CB 1.589 33.331 31.823 -0.136 0.000 1.039 20 V HN 0.364 nan 8.190 nan 0.000 0.437 21 P HA 0.139 nan 4.420 nan 0.000 0.267 21 P C 0.542 177.680 177.300 -0.271 0.000 1.200 21 P CA 0.128 62.648 63.100 -0.967 0.000 0.772 21 P CB 0.295 31.375 31.700 -1.033 0.000 0.855 22 E N 3.405 123.549 120.200 -0.093 0.000 2.463 22 E HA -0.227 4.127 4.350 0.007 0.000 0.201 22 E C 1.392 177.940 176.600 -0.087 0.000 1.045 22 E CA 0.483 56.926 56.400 0.072 0.000 0.872 22 E CB -0.509 29.161 29.700 -0.050 0.000 0.797 22 E HN 0.469 nan 8.360 nan 0.000 0.538 23 R N 0.807 121.125 120.500 -0.302 0.000 2.189 23 R HA -0.100 4.244 4.340 0.007 0.000 0.223 23 R C -0.056 175.969 176.300 -0.460 0.000 1.092 23 R CA 0.671 56.506 56.100 -0.441 0.000 0.989 23 R CB -0.498 29.402 30.300 -0.666 0.000 0.876 23 R HN 0.198 nan 8.270 nan 0.000 0.457 24 Y N 2.024 122.300 120.300 -0.040 0.000 2.341 24 Y HA 0.310 4.863 4.550 0.005 0.000 0.340 24 Y C 0.353 176.339 175.900 0.143 0.000 0.997 24 Y CA -0.914 57.195 58.100 0.015 0.000 1.149 24 Y CB 1.177 39.636 38.460 -0.002 0.000 1.171 24 Y HN -0.025 nan 8.280 nan 0.000 0.494 25 Q N 1.478 121.441 119.800 0.270 0.000 2.495 25 Q HA 0.314 4.658 4.340 0.007 0.000 0.283 25 Q C -0.317 175.814 176.000 0.218 0.000 1.097 25 Q CA -1.068 54.882 55.803 0.245 0.000 0.836 25 Q CB 1.556 30.404 28.738 0.184 0.000 1.426 25 Q HN 0.733 nan 8.270 nan 0.000 0.459 26 N N 0.124 118.916 118.700 0.154 0.000 2.705 26 N HA -0.202 4.542 4.740 0.007 0.000 0.255 26 N C -0.789 174.763 175.510 0.070 0.000 1.008 26 N CA 0.372 53.481 53.050 0.097 0.000 0.742 26 N CB -1.393 37.144 38.487 0.084 0.000 0.906 26 N HN 0.360 nan 8.380 nan 0.000 0.541 27 L N 0.785 122.039 121.223 0.051 0.000 2.455 27 L HA 0.153 4.497 4.340 0.007 0.000 0.272 27 L C 0.838 177.642 176.870 -0.109 0.000 1.174 27 L CA 0.529 55.328 54.840 -0.067 0.000 0.869 27 L CB 0.852 42.817 42.059 -0.157 0.000 1.130 27 L HN 0.399 nan 8.230 nan 0.000 0.474 28 S N 4.515 120.134 115.700 -0.134 0.000 2.736 28 S HA 0.641 5.115 4.470 0.007 0.000 0.285 28 S C -2.758 171.764 174.600 -0.131 0.000 1.163 28 S CA -1.517 56.617 58.200 -0.109 0.000 1.025 28 S CB 1.693 64.866 63.200 -0.045 0.000 1.030 28 S HN 0.280 nan 8.310 nan 0.000 0.486 29 P HA 0.011 nan 4.420 nan 0.000 0.264 29 P C 0.077 177.355 177.300 -0.036 0.000 1.173 29 P CA 0.082 63.124 63.100 -0.097 0.000 0.761 29 P CB 0.683 32.353 31.700 -0.051 0.000 0.794 30 V N 1.929 121.842 119.914 -0.000 0.000 3.355 30 V HA 0.514 4.638 4.120 0.007 0.000 0.330 30 V C 0.056 176.189 176.094 0.067 0.000 1.479 30 V CA 0.796 63.111 62.300 0.026 0.000 1.150 30 V CB 0.022 31.856 31.823 0.018 0.000 1.044 30 V HN 0.902 nan 8.190 nan 0.000 0.501 31 G N 0.550 109.403 108.800 0.088 0.000 2.316 31 G HA2 0.424 4.388 3.960 0.007 0.000 0.468 31 G HA3 0.424 4.388 3.960 0.007 0.000 0.468 31 G C -0.704 174.292 174.900 0.161 0.000 1.523 31 G CA 0.064 45.243 45.100 0.132 0.000 0.972 31 G HN 1.320 nan 8.290 nan 0.000 0.667 32 S N -0.429 115.313 115.700 0.071 0.000 2.547 32 S HA 1.025 5.499 4.470 0.007 0.000 0.270 32 S C 0.199 174.574 174.600 -0.375 0.000 1.150 32 S CA 0.343 58.448 58.200 -0.160 0.000 0.850 32 S CB 1.838 64.992 63.200 -0.077 0.000 1.118 32 S HN 2.657 nan 8.310 nan 0.000 0.461 33 G N 0.279 108.593 108.800 -0.810 0.000 2.696 33 G HA2 0.643 4.607 3.960 0.007 0.000 0.151 33 G HA3 0.643 4.607 3.960 0.007 0.000 0.151 33 G C 0.501 175.090 174.900 -0.519 0.000 1.197 33 G CA 0.091 44.836 45.100 -0.590 0.000 1.053 33 G HN 1.430 nan 8.290 nan 0.000 0.546 34 A N -0.781 121.854 122.820 -0.308 0.000 2.119 34 A HA 0.280 4.604 4.320 0.007 0.000 0.216 34 A C 1.976 179.497 177.584 -0.104 0.000 1.152 34 A CA 1.965 53.919 52.037 -0.138 0.000 0.708 34 A CB -0.824 18.163 19.000 -0.021 0.000 0.805 34 A HN 0.915 nan 8.150 nan 0.000 0.460 35 Y N -1.880 118.392 120.300 -0.047 0.000 2.176 35 Y HA 0.419 4.973 4.550 0.006 0.000 0.291 35 Y C 1.185 177.033 175.900 -0.086 0.000 1.122 35 Y CA 0.075 58.136 58.100 -0.065 0.000 1.128 35 Y CB -0.769 37.658 38.460 -0.055 0.000 1.005 35 Y HN 0.397 nan 8.280 nan 0.000 0.509 36 G N -0.657 107.923 108.800 -0.367 0.000 2.345 36 G HA2 0.247 4.211 3.960 0.007 0.000 0.285 36 G HA3 0.247 4.211 3.960 0.007 0.000 0.285 36 G C -1.588 173.159 174.900 -0.255 0.000 1.297 36 G CA -0.571 44.378 45.100 -0.252 0.000 0.875 36 G HN 0.142 nan 8.290 nan 0.000 0.506 37 S N -0.976 114.669 115.700 -0.091 0.000 2.525 37 S HA 0.656 5.130 4.470 0.007 0.000 0.278 37 S C 0.016 174.854 174.600 0.397 0.000 1.234 37 S CA -0.424 57.862 58.200 0.144 0.000 1.058 37 S CB 1.407 64.773 63.200 0.276 0.000 0.983 37 S HN 0.824 nan 8.310 nan 0.000 0.495 38 V N 3.188 123.339 119.914 0.395 0.000 2.459 38 V HA 0.476 4.600 4.120 0.007 0.000 0.295 38 V C -0.206 175.983 176.094 0.159 0.000 1.029 38 V CA -0.611 61.893 62.300 0.339 0.000 0.874 38 V CB 1.450 33.429 31.823 0.260 0.000 0.985 38 V HN 0.953 nan 8.190 nan 0.000 0.438 39 C N 3.763 123.070 119.300 0.011 0.000 2.563 39 C HA 0.857 5.321 4.460 0.007 0.000 0.314 39 C C 0.561 175.482 174.990 -0.115 0.000 1.199 39 C CA -0.676 58.193 59.018 -0.247 0.000 1.564 39 C CB 1.330 28.594 27.740 -0.793 0.000 2.173 39 C HN 1.007 nan 8.230 nan 0.000 0.485 40 A N 2.466 125.233 122.820 -0.087 0.000 2.309 40 A HA 0.904 5.228 4.320 0.007 0.000 0.298 40 A C -0.131 177.449 177.584 -0.007 0.000 1.165 40 A CA 0.138 52.164 52.037 -0.019 0.000 0.821 40 A CB 0.605 19.608 19.000 0.004 0.000 1.102 40 A HN 1.582 nan 8.150 nan 0.000 0.500 41 A N 1.041 123.894 122.820 0.055 0.000 2.602 41 A HA 0.711 5.035 4.320 0.007 0.000 0.290 41 A C -1.525 176.187 177.584 0.214 0.000 1.114 41 A CA -0.468 51.641 52.037 0.120 0.000 0.683 41 A CB 0.753 19.819 19.000 0.110 0.000 1.281 41 A HN 1.460 nan 8.150 nan 0.000 0.416 42 F N 1.260 121.270 119.950 0.100 0.000 2.411 42 F HA 0.562 5.093 4.527 0.007 0.000 0.352 42 F C -0.380 175.486 175.800 0.110 0.000 1.123 42 F CA -0.874 57.176 58.000 0.083 0.000 1.044 42 F CB 1.392 40.417 39.000 0.042 0.000 1.135 42 F HN 0.536 nan 8.300 nan 0.000 0.461 43 D N 3.898 123.913 120.400 -0.642 0.000 2.428 43 D HA 0.108 4.752 4.640 0.007 0.000 0.221 43 D C 1.198 176.989 176.300 -0.849 0.000 1.123 43 D CA 0.020 53.711 54.000 -0.515 0.000 0.869 43 D CB 1.000 41.666 40.800 -0.223 0.000 1.032 43 D HN 0.649 nan 8.370 nan 0.000 0.506 44 T N 1.191 115.380 114.554 -0.608 0.000 2.977 44 T HA -0.126 4.228 4.350 0.007 0.000 0.271 44 T C 1.400 175.948 174.700 -0.253 0.000 1.105 44 T CA 0.773 62.663 62.100 -0.349 0.000 1.116 44 T CB 0.025 68.833 68.868 -0.101 0.000 0.878 44 T HN 0.202 nan 8.240 nan 0.000 0.509 45 K N 1.061 121.285 120.400 -0.293 0.000 2.166 45 K HA 0.061 4.385 4.320 0.007 0.000 0.201 45 K C 2.635 179.145 176.600 -0.149 0.000 1.052 45 K CA 1.570 57.740 56.287 -0.195 0.000 0.969 45 K CB -0.260 32.118 32.500 -0.203 0.000 0.761 45 K HN 0.674 nan 8.250 nan 0.000 0.459 46 T N -3.167 111.278 114.554 -0.181 0.000 3.014 46 T HA 0.170 4.524 4.350 0.007 0.000 0.250 46 T C 1.337 175.975 174.700 -0.104 0.000 1.060 46 T CA 0.761 62.794 62.100 -0.111 0.000 1.040 46 T CB 0.401 69.214 68.868 -0.092 0.000 0.971 46 T HN 0.282 nan 8.240 nan 0.000 0.497 47 G N 1.421 110.092 108.800 -0.215 0.000 2.143 47 G HA2 -0.193 3.771 3.960 0.007 0.000 0.248 47 G HA3 -0.193 3.771 3.960 0.007 0.000 0.248 47 G C -0.139 174.733 174.900 -0.045 0.000 0.991 47 G CA 0.402 45.431 45.100 -0.118 0.000 0.689 47 G HN 0.664 nan 8.290 nan 0.000 0.522 48 L N -0.499 120.628 121.223 -0.160 0.000 2.352 48 L HA 0.655 4.999 4.340 0.007 0.000 0.269 48 L C 1.024 177.882 176.870 -0.021 0.000 1.034 48 L CA -1.191 53.644 54.840 -0.009 0.000 0.806 48 L CB 1.155 43.217 42.059 0.006 0.000 1.244 48 L HN -0.035 nan 8.230 nan 0.000 0.447 49 R N 1.407 121.984 120.500 0.128 0.000 2.254 49 R HA 0.518 4.862 4.340 0.007 0.000 0.318 49 R C -0.752 175.603 176.300 0.092 0.000 1.031 49 R CA -0.319 55.883 56.100 0.171 0.000 0.905 49 R CB 1.552 31.968 30.300 0.194 0.000 1.050 49 R HN 0.535 nan 8.270 nan 0.000 0.456 50 V N -0.611 119.345 119.914 0.071 0.000 3.158 50 V HA 0.888 5.012 4.120 0.007 0.000 0.315 50 V C -0.497 175.615 176.094 0.030 0.000 1.148 50 V CA -1.241 61.080 62.300 0.036 0.000 1.042 50 V CB 1.972 33.805 31.823 0.016 0.000 1.101 50 V HN 0.744 nan 8.190 nan 0.000 0.448 51 A N 1.240 124.067 122.820 0.012 0.000 2.304 51 A HA 0.805 5.129 4.320 0.007 0.000 0.314 51 A C -0.656 176.934 177.584 0.010 0.000 1.187 51 A CA -0.591 51.456 52.037 0.017 0.000 0.810 51 A CB 1.094 20.110 19.000 0.027 0.000 1.183 51 A HN 1.274 nan 8.150 nan 0.000 0.487 52 V N 3.173 123.115 119.914 0.046 0.000 2.347 52 V HA 0.373 4.497 4.120 0.007 0.000 0.280 52 V C 0.225 176.516 176.094 0.328 0.000 1.021 52 V CA -0.658 61.722 62.300 0.133 0.000 0.847 52 V CB 1.259 33.191 31.823 0.181 0.000 0.990 52 V HN 0.833 nan 8.190 nan 0.000 0.444 53 K N 4.111 124.615 120.400 0.173 0.000 2.240 53 K HA 0.397 4.721 4.320 0.007 0.000 0.271 53 K C -0.421 176.099 176.600 -0.133 0.000 1.018 53 K CA -0.638 55.723 56.287 0.124 0.000 0.874 53 K CB 1.201 33.728 32.500 0.045 0.000 1.098 53 K HN 0.663 nan 8.250 nan 0.000 0.458 54 K N 6.636 126.803 120.400 -0.387 0.000 2.299 54 K HA 0.227 4.551 4.320 0.007 0.000 0.268 54 K C -0.238 175.989 176.600 -0.623 0.000 1.075 54 K CA -0.503 55.193 56.287 -0.986 0.000 0.936 54 K CB 0.410 31.849 32.500 -1.769 0.000 1.228 54 K HN 0.550 nan 8.250 nan 0.000 0.454 55 L N 3.066 123.986 121.223 -0.505 0.000 2.529 55 L HA -0.070 4.274 4.340 0.007 0.000 0.287 55 L C 1.406 178.037 176.870 -0.398 0.000 1.241 55 L CA -0.184 54.441 54.840 -0.360 0.000 0.857 55 L CB 0.670 42.528 42.059 -0.335 0.000 1.113 55 L HN 0.801 nan 8.230 nan 0.000 0.504 56 S N 1.939 117.457 115.700 -0.303 0.000 2.412 56 S HA -0.031 4.443 4.470 0.007 0.000 0.199 56 S C 0.704 175.126 174.600 -0.297 0.000 1.099 56 S CA 0.734 58.764 58.200 -0.284 0.000 1.243 56 S CB -0.143 62.925 63.200 -0.220 0.000 0.996 56 S HN 0.526 nan 8.310 nan 0.000 0.402 57 R N 2.397 122.728 120.500 -0.283 0.000 2.471 57 R HA 0.307 4.651 4.340 0.007 0.000 0.292 57 R C -1.993 174.092 176.300 -0.358 0.000 1.192 57 R CA -1.785 54.132 56.100 -0.305 0.000 1.257 57 R CB 1.025 31.139 30.300 -0.311 0.000 1.130 57 R HN 0.369 nan 8.270 nan 0.000 0.558 58 P HA -0.138 nan 4.420 nan 0.000 0.217 58 P C 0.015 176.814 177.300 -0.836 0.000 1.151 58 P CA 1.348 63.984 63.100 -0.773 0.000 0.828 58 P CB 0.252 31.239 31.700 -1.189 0.000 0.788 59 F N -0.071 119.815 119.950 -0.108 0.000 2.850 59 F HA 0.290 4.821 4.527 0.007 0.000 0.329 59 F C 2.078 177.839 175.800 -0.065 0.000 1.182 59 F CA -0.635 57.330 58.000 -0.058 0.000 1.270 59 F CB -0.147 38.798 39.000 -0.092 0.000 0.979 59 F HN -0.116 nan 8.300 nan 0.000 0.506 60 Q N 0.829 120.602 119.800 -0.046 0.000 2.435 60 Q HA 0.032 4.376 4.340 0.007 0.000 0.207 60 Q C 0.509 176.492 176.000 -0.027 0.000 0.956 60 Q CA 0.937 56.682 55.803 -0.096 0.000 0.917 60 Q CB 0.362 28.938 28.738 -0.271 0.000 0.997 60 Q HN 0.387 nan 8.270 nan 0.000 0.497 61 S N -0.897 114.845 115.700 0.070 0.000 2.643 61 S HA 0.272 4.747 4.470 0.007 0.000 0.270 61 S C 0.362 175.074 174.600 0.186 0.000 1.166 61 S CA -0.367 57.915 58.200 0.138 0.000 0.815 61 S CB 0.397 63.719 63.200 0.203 0.000 1.139 61 S HN 0.330 nan 8.310 nan 0.000 0.472 62 I N -0.244 120.428 120.570 0.169 0.000 2.761 62 I HA 0.248 4.422 4.170 0.007 0.000 0.261 62 I C 1.503 177.659 176.117 0.065 0.000 1.198 62 I CA 0.693 62.107 61.300 0.190 0.000 1.482 62 I CB -0.201 37.938 38.000 0.233 0.000 1.100 62 I HN 0.592 nan 8.210 nan 0.000 0.445 63 I N 1.293 121.905 120.570 0.070 0.000 2.353 63 I HA -0.196 3.978 4.170 0.007 0.000 0.248 63 I C 2.433 178.497 176.117 -0.089 0.000 1.119 63 I CA 1.665 62.955 61.300 -0.017 0.000 1.417 63 I CB -1.374 36.616 38.000 -0.017 0.000 1.078 63 I HN 0.349 nan 8.210 nan 0.000 0.421 64 H N 0.378 119.435 119.070 -0.021 0.000 2.372 64 H HA 0.095 4.655 4.556 0.007 0.000 0.301 64 H C 2.243 177.534 175.328 -0.062 0.000 1.065 64 H CA 1.374 57.389 56.048 -0.056 0.000 1.364 64 H CB -0.066 29.654 29.762 -0.070 0.000 1.406 64 H HN 0.277 nan 8.280 nan 0.000 0.521 65 A N 0.917 123.822 122.820 0.142 0.000 1.940 65 A HA -0.230 4.094 4.320 0.007 0.000 0.219 65 A C 2.140 179.718 177.584 -0.009 0.000 1.176 65 A CA 1.926 54.108 52.037 0.242 0.000 0.631 65 A CB -0.394 18.841 19.000 0.391 0.000 0.814 65 A HN 0.363 nan 8.150 nan 0.000 0.446 66 K N -0.848 119.300 120.400 -0.420 0.000 2.062 66 K HA -0.102 4.222 4.320 0.007 0.000 0.205 66 K C 2.301 178.747 176.600 -0.257 0.000 1.051 66 K CA 1.223 57.023 56.287 -0.812 0.000 0.941 66 K CB -0.134 31.806 32.500 -0.934 0.000 0.719 66 K HN 0.348 nan 8.250 nan 0.000 0.440 67 R N 0.068 120.471 120.500 -0.162 0.000 2.080 67 R HA -0.109 4.235 4.340 0.007 0.000 0.236 67 R C 2.035 178.299 176.300 -0.060 0.000 1.137 67 R CA 2.444 58.477 56.100 -0.111 0.000 0.943 67 R CB -0.569 29.631 30.300 -0.166 0.000 0.846 67 R HN 0.213 nan 8.270 nan 0.000 0.431 68 T N -0.209 114.322 114.554 -0.038 0.000 2.665 68 T HA -0.238 4.116 4.350 0.007 0.000 0.268 68 T C 1.413 176.156 174.700 0.072 0.000 1.035 68 T CA 1.756 63.846 62.100 -0.016 0.000 1.151 68 T CB -0.584 68.243 68.868 -0.069 0.000 0.862 68 T HN 0.356 nan 8.240 nan 0.000 0.438 69 Y N 2.096 122.412 120.300 0.027 0.000 2.181 69 Y HA -0.122 4.432 4.550 0.007 0.000 0.288 69 Y C 2.704 178.562 175.900 -0.069 0.000 1.146 69 Y CA 1.520 59.638 58.100 0.030 0.000 1.164 69 Y CB -0.281 38.233 38.460 0.090 0.000 0.982 69 Y HN -0.014 nan 8.280 nan 0.000 0.515 70 R N 0.406 120.873 120.500 -0.055 0.000 2.096 70 R HA -0.206 4.138 4.340 0.007 0.000 0.235 70 R C 2.299 178.559 176.300 -0.066 0.000 1.127 70 R CA 1.900 58.006 56.100 0.010 0.000 0.968 70 R CB -0.363 30.052 30.300 0.192 0.000 0.861 70 R HN 0.562 nan 8.270 nan 0.000 0.440 71 E N -0.011 120.138 120.200 -0.085 0.000 2.158 71 E HA -0.155 4.199 4.350 0.007 0.000 0.191 71 E C 1.884 178.409 176.600 -0.126 0.000 0.982 71 E CA 0.516 56.856 56.400 -0.101 0.000 0.823 71 E CB 0.067 29.714 29.700 -0.088 0.000 0.766 71 E HN 0.243 nan 8.360 nan 0.000 0.468 72 L N 1.393 122.532 121.223 -0.139 0.000 2.056 72 L HA -0.102 4.242 4.340 0.007 0.000 0.207 72 L C 2.195 178.977 176.870 -0.146 0.000 1.078 72 L CA 1.584 56.350 54.840 -0.124 0.000 0.749 72 L CB -0.433 41.580 42.059 -0.077 0.000 0.901 72 L HN 0.002 nan 8.230 nan 0.000 0.433 73 R N -0.489 119.838 120.500 -0.290 0.000 2.081 73 R HA -0.135 4.209 4.340 0.007 0.000 0.235 73 R C 2.216 178.529 176.300 0.023 0.000 1.131 73 R CA 1.695 57.656 56.100 -0.232 0.000 0.960 73 R CB -1.232 28.724 30.300 -0.574 0.000 0.856 73 R HN 0.392 nan 8.270 nan 0.000 0.436 74 L N 0.619 121.827 121.223 -0.025 0.000 2.027 74 L HA -0.101 4.243 4.340 0.007 0.000 0.206 74 L C 2.002 178.773 176.870 -0.164 0.000 1.074 74 L CA 1.442 56.208 54.840 -0.123 0.000 0.745 74 L CB -0.454 41.469 42.059 -0.227 0.000 0.898 74 L HN 0.010 nan 8.230 nan 0.000 0.433 75 L N -0.218 120.920 121.223 -0.141 0.000 2.141 75 L HA -0.155 4.189 4.340 0.007 0.000 0.209 75 L C 2.433 179.307 176.870 0.006 0.000 1.094 75 L CA 1.593 56.370 54.840 -0.106 0.000 0.763 75 L CB -0.971 41.027 42.059 -0.103 0.000 0.908 75 L HN 0.303 nan 8.230 nan 0.000 0.437 76 K N -2.018 118.419 120.400 0.061 0.000 2.288 76 K HA -0.126 4.198 4.320 0.007 0.000 0.201 76 K C 1.992 178.699 176.600 0.179 0.000 1.048 76 K CA 0.551 56.939 56.287 0.169 0.000 0.956 76 K CB -0.020 32.588 32.500 0.181 0.000 0.746 76 K HN 0.418 nan 8.250 nan 0.000 0.461 77 H N -0.175 118.927 119.070 0.053 0.000 2.370 77 H HA 0.108 4.668 4.556 0.007 0.000 0.304 77 H C 0.303 175.674 175.328 0.073 0.000 1.055 77 H CA 0.290 56.378 56.048 0.067 0.000 1.373 77 H CB 0.417 30.196 29.762 0.027 0.000 1.423 77 H HN -0.012 nan 8.280 nan 0.000 0.533 78 M N 2.442 122.087 119.600 0.076 0.000 2.611 78 M HA -0.047 4.437 4.480 0.007 0.000 0.361 78 M C -0.270 176.070 176.300 0.067 0.000 1.761 78 M CA 1.060 56.425 55.300 0.107 0.000 1.145 78 M CB -0.542 32.040 32.600 -0.031 0.000 2.121 78 M HN 0.116 nan 8.290 nan 0.000 0.465 79 K N 2.889 123.331 120.400 0.070 0.000 2.842 79 K HA 0.310 4.634 4.320 0.007 0.000 0.176 79 K C -1.053 175.401 176.600 -0.243 0.000 1.080 79 K CA -0.298 55.966 56.287 -0.040 0.000 0.954 79 K CB 0.986 33.485 32.500 -0.003 0.000 1.203 79 K HN 0.629 nan 8.250 nan 0.000 0.611 80 H N -0.513 118.286 119.070 -0.452 0.000 2.961 80 H HA 0.159 4.719 4.556 0.007 0.000 0.371 80 H C 0.517 175.661 175.328 -0.307 0.000 1.190 80 H CA -0.525 55.173 56.048 -0.583 0.000 1.138 80 H CB 1.574 30.678 29.762 -1.097 0.000 1.816 80 H HN 0.249 nan 8.280 nan 0.000 0.551 81 E N 1.815 121.790 120.200 -0.374 0.000 2.077 81 E HA -0.174 4.180 4.350 0.007 0.000 0.193 81 E C 0.358 176.938 176.600 -0.035 0.000 0.989 81 E CA 1.335 57.623 56.400 -0.186 0.000 0.800 81 E CB -0.041 29.522 29.700 -0.228 0.000 0.746 81 E HN 0.582 nan 8.360 nan 0.000 0.452 82 N N 0.471 119.289 118.700 0.197 0.000 2.362 82 N HA 0.063 4.807 4.740 0.007 0.000 0.204 82 N C -1.028 174.471 175.510 -0.019 0.000 1.166 82 N CA -0.066 53.012 53.050 0.046 0.000 0.831 82 N CB 0.828 39.304 38.487 -0.019 0.000 1.008 82 N HN -0.125 nan 8.380 nan 0.000 0.472 83 V N 0.803 120.730 119.914 0.021 0.000 2.841 83 V HA 0.283 4.408 4.120 0.007 0.000 0.310 83 V C 0.105 176.240 176.094 0.070 0.000 1.090 83 V CA -1.287 61.047 62.300 0.057 0.000 0.930 83 V CB 2.546 34.413 31.823 0.074 0.000 1.014 83 V HN 0.107 nan 8.190 nan 0.000 0.425 84 I N 2.528 123.175 120.570 0.130 0.000 2.932 84 I HA 0.440 4.614 4.170 0.007 0.000 0.295 84 I C 0.665 176.820 176.117 0.064 0.000 1.227 84 I CA 1.053 62.410 61.300 0.096 0.000 1.429 84 I CB 0.633 38.704 38.000 0.119 0.000 1.339 84 I HN 0.810 nan 8.210 nan 0.000 0.589 85 G N 6.851 115.701 108.800 0.085 0.000 2.672 85 G HA2 0.464 4.428 3.960 0.007 0.000 0.292 85 G HA3 0.464 4.428 3.960 0.007 0.000 0.292 85 G C -1.551 173.400 174.900 0.084 0.000 1.375 85 G CA -0.818 44.332 45.100 0.083 0.000 0.890 85 G HN 0.588 nan 8.290 nan 0.000 0.476 86 L N 1.634 122.908 121.223 0.086 0.000 2.260 86 L HA 0.346 4.690 4.340 0.007 0.000 0.289 86 L C 0.813 177.762 176.870 0.132 0.000 1.057 86 L CA -0.505 54.359 54.840 0.041 0.000 0.811 86 L CB 1.372 43.437 42.059 0.010 0.000 1.184 86 L HN 0.512 nan 8.230 nan 0.000 0.429 87 L N 2.678 123.919 121.223 0.030 0.000 2.416 87 L HA 0.162 4.506 4.340 0.007 0.000 0.216 87 L C -0.104 176.863 176.870 0.162 0.000 1.098 87 L CA 0.506 55.401 54.840 0.092 0.000 0.840 87 L CB 0.216 42.235 42.059 -0.067 0.000 0.981 87 L HN 0.642 nan 8.230 nan 0.000 0.462 88 D N -2.081 118.236 120.400 -0.137 0.000 2.783 88 D HA 0.325 4.969 4.640 0.007 0.000 0.253 88 D C -1.737 174.279 176.300 -0.473 0.000 1.206 88 D CA -0.199 53.637 54.000 -0.273 0.000 0.740 88 D CB 2.059 42.985 40.800 0.209 0.000 1.313 88 D HN -0.277 nan 8.370 nan 0.000 0.427 89 V N 2.844 122.478 119.914 -0.465 0.000 2.851 89 V HA 0.909 5.033 4.120 0.007 0.000 0.307 89 V C -1.674 174.432 176.094 0.021 0.000 1.129 89 V CA -0.433 61.681 62.300 -0.310 0.000 0.932 89 V CB 1.203 32.784 31.823 -0.404 0.000 1.024 89 V HN 0.615 nan 8.190 nan 0.000 0.426 90 F N 2.548 122.540 119.950 0.070 0.000 2.745 90 F HA 0.928 5.459 4.527 0.006 0.000 0.316 90 F C -0.808 175.160 175.800 0.281 0.000 1.155 90 F CA -0.502 57.598 58.000 0.165 0.000 0.937 90 F CB 1.782 40.898 39.000 0.194 0.000 1.361 90 F HN 0.603 nan 8.300 nan 0.000 0.472 91 T N 1.187 116.103 114.554 0.603 0.000 3.105 91 T HA 0.446 4.800 4.350 0.007 0.000 0.321 91 T C -2.471 172.410 174.700 0.301 0.000 1.135 91 T CA -1.475 60.939 62.100 0.523 0.000 1.053 91 T CB 1.900 71.097 68.868 0.548 0.000 1.133 91 T HN 0.566 nan 8.240 nan 0.000 0.463 92 P HA 0.152 nan 4.420 nan 0.000 0.226 92 P C 0.480 177.606 177.300 -0.289 0.000 1.153 92 P CA 0.098 62.828 63.100 -0.617 0.000 0.777 92 P CB -0.228 31.252 31.700 -0.367 0.000 0.794 93 A N 1.329 124.176 122.820 0.045 0.000 2.561 93 A HA -0.038 4.286 4.320 0.007 0.000 0.251 93 A C 1.612 179.259 177.584 0.105 0.000 1.062 93 A CA 0.079 52.200 52.037 0.140 0.000 0.761 93 A CB -0.133 19.096 19.000 0.381 0.000 0.986 93 A HN 0.065 nan 8.150 nan 0.000 0.510 94 R N 1.431 121.963 120.500 0.053 0.000 2.090 94 R HA -0.031 4.313 4.340 0.007 0.000 0.228 94 R C 0.650 177.018 176.300 0.114 0.000 1.110 94 R CA 1.513 57.646 56.100 0.056 0.000 0.973 94 R CB -0.237 30.077 30.300 0.024 0.000 0.869 94 R HN 0.889 nan 8.270 nan 0.000 0.440 95 S N -0.872 114.884 115.700 0.094 0.000 2.661 95 S HA 0.190 4.664 4.470 0.007 0.000 0.285 95 S C 0.534 175.040 174.600 -0.157 0.000 1.138 95 S CA -0.897 57.331 58.200 0.047 0.000 0.855 95 S CB 1.671 64.872 63.200 0.001 0.000 1.136 95 S HN 0.035 nan 8.310 nan 0.000 0.484 96 L N 0.986 121.907 121.223 -0.504 0.000 2.127 96 L HA -0.004 4.340 4.340 0.007 0.000 0.211 96 L C 1.948 178.628 176.870 -0.317 0.000 1.089 96 L CA 2.071 56.390 54.840 -0.870 0.000 0.757 96 L CB -1.342 40.274 42.059 -0.738 0.000 0.899 96 L HN 0.850 nan 8.230 nan 0.000 0.434 97 E N 0.176 120.270 120.200 -0.177 0.000 2.106 97 E HA -0.214 4.140 4.350 0.007 0.000 0.192 97 E C 1.839 178.407 176.600 -0.053 0.000 0.984 97 E CA 1.498 57.839 56.400 -0.097 0.000 0.806 97 E CB -0.195 29.466 29.700 -0.064 0.000 0.750 97 E HN 0.834 nan 8.360 nan 0.000 0.458 98 E N 0.097 120.288 120.200 -0.016 0.000 2.481 98 E HA -0.024 4.330 4.350 0.007 0.000 0.198 98 E C -0.192 176.470 176.600 0.104 0.000 1.027 98 E CA -0.439 55.978 56.400 0.027 0.000 0.900 98 E CB -0.069 29.650 29.700 0.030 0.000 0.993 98 E HN 0.106 nan 8.360 nan 0.000 0.482 99 F N 2.916 122.824 119.950 -0.070 0.000 2.533 99 F HA 0.165 4.696 4.527 0.006 0.000 0.378 99 F C 0.595 176.442 175.800 0.079 0.000 1.070 99 F CA -0.149 57.865 58.000 0.024 0.000 1.172 99 F CB 0.516 39.479 39.000 -0.061 0.000 1.085 99 F HN 0.007 nan 8.300 nan 0.000 0.552 100 N N 2.986 121.582 118.700 -0.174 0.000 1.941 100 N HA -0.005 4.739 4.740 0.007 0.000 0.229 100 N C -1.197 174.222 175.510 -0.152 0.000 1.397 100 N CA -0.011 52.944 53.050 -0.159 0.000 0.824 100 N CB 0.489 38.946 38.487 -0.049 0.000 1.083 100 N HN 0.492 nan 8.380 nan 0.000 0.488 101 D N 1.037 121.400 120.400 -0.062 0.000 2.498 101 D HA 0.374 5.018 4.640 0.007 0.000 0.247 101 D C -0.784 175.590 176.300 0.122 0.000 1.070 101 D CA -0.271 53.691 54.000 -0.063 0.000 0.842 101 D CB 3.228 44.041 40.800 0.022 0.000 1.361 101 D HN -0.183 nan 8.370 nan 0.000 0.484 102 V N 2.822 122.674 119.914 -0.102 0.000 2.487 102 V HA 0.366 4.490 4.120 0.007 0.000 0.298 102 V C -1.069 174.865 176.094 -0.267 0.000 1.028 102 V CA -0.749 61.562 62.300 0.017 0.000 0.860 102 V CB 1.101 32.944 31.823 0.033 0.000 0.991 102 V HN 0.388 nan 8.190 nan 0.000 0.427 103 Y N 4.619 124.656 120.300 -0.439 0.000 2.429 103 Y HA 0.776 5.329 4.550 0.006 0.000 0.342 103 Y C -0.121 175.418 175.900 -0.602 0.000 1.004 103 Y CA -0.926 56.796 58.100 -0.630 0.000 1.075 103 Y CB 1.834 39.611 38.460 -1.139 0.000 1.214 103 Y HN 0.448 nan 8.280 nan 0.000 0.455 104 L N 3.191 124.273 121.223 -0.235 0.000 2.354 104 L HA 0.854 5.198 4.340 0.007 0.000 0.269 104 L C -1.082 175.703 176.870 -0.142 0.000 1.005 104 L CA -1.120 53.596 54.840 -0.206 0.000 0.819 104 L CB 2.029 43.996 42.059 -0.152 0.000 1.311 104 L HN 0.274 nan 8.230 nan 0.000 0.423 105 V N 0.645 120.475 119.914 -0.141 0.000 2.588 105 V HA 0.760 4.884 4.120 0.007 0.000 0.304 105 V C -0.271 175.775 176.094 -0.079 0.000 1.042 105 V CA -0.362 61.880 62.300 -0.095 0.000 0.877 105 V CB 1.938 33.716 31.823 -0.074 0.000 0.996 105 V HN 0.856 nan 8.190 nan 0.000 0.425 106 T N 1.429 115.948 114.554 -0.059 0.000 2.816 106 T HA 0.498 4.852 4.350 0.007 0.000 0.299 106 T C -1.002 173.672 174.700 -0.044 0.000 1.230 106 T CA -0.619 61.453 62.100 -0.045 0.000 1.007 106 T CB 1.080 69.967 68.868 0.033 0.000 1.289 106 T HN 0.812 nan 8.240 nan 0.000 0.508 107 H N 1.340 120.424 119.070 0.023 0.000 3.034 107 H HA 0.294 4.855 4.556 0.007 0.000 0.324 107 H C 0.204 175.543 175.328 0.019 0.000 1.015 107 H CA -0.270 55.793 56.048 0.025 0.000 1.429 107 H CB 0.114 29.888 29.762 0.020 0.000 1.429 107 H HN 0.259 nan 8.280 nan 0.000 0.585 108 L N 3.793 125.093 121.223 0.127 0.000 2.499 108 L HA 0.047 4.391 4.340 0.007 0.000 0.273 108 L C -0.486 176.429 176.870 0.075 0.000 1.195 108 L CA 0.348 55.236 54.840 0.081 0.000 0.882 108 L CB 0.044 42.147 42.059 0.073 0.000 1.133 108 L HN 0.581 nan 8.230 nan 0.000 0.483 109 M N 4.467 124.094 119.600 0.045 0.000 2.336 109 M HA 0.350 4.834 4.480 0.007 0.000 0.342 109 M C 0.894 177.204 176.300 0.016 0.000 1.128 109 M CA -0.255 55.059 55.300 0.025 0.000 1.016 109 M CB 0.924 33.527 32.600 0.006 0.000 1.665 109 M HN 0.717 nan 8.290 nan 0.000 0.445 110 G N 2.002 110.810 108.800 0.014 0.000 2.695 110 G HA2 0.432 4.396 3.960 0.007 0.000 0.219 110 G HA3 0.432 4.396 3.960 0.007 0.000 0.219 110 G C 0.047 174.949 174.900 0.003 0.000 1.295 110 G CA 0.281 45.389 45.100 0.012 0.000 0.882 110 G HN 0.758 nan 8.290 nan 0.000 0.570 111 A N 0.554 123.373 122.820 -0.001 0.000 2.325 111 A HA 0.642 4.966 4.320 0.007 0.000 0.333 111 A C -0.741 176.832 177.584 -0.020 0.000 1.155 111 A CA -0.363 51.670 52.037 -0.006 0.000 0.814 111 A CB 1.168 20.169 19.000 0.001 0.000 1.206 111 A HN 0.481 nan 8.150 nan 0.000 0.482 112 D N 0.658 121.042 120.400 -0.027 0.000 2.478 112 D HA 0.327 4.971 4.640 0.007 0.000 0.263 112 D C 0.899 177.174 176.300 -0.043 0.000 1.153 112 D CA -0.778 53.194 54.000 -0.047 0.000 1.038 112 D CB 0.296 41.061 40.800 -0.058 0.000 1.120 112 D HN 0.156 nan 8.370 nan 0.000 0.564 113 L N 0.418 121.604 121.223 -0.062 0.000 2.081 113 L HA -0.187 4.157 4.340 0.007 0.000 0.212 113 L C 1.589 178.444 176.870 -0.026 0.000 1.080 113 L CA 1.779 56.589 54.840 -0.051 0.000 0.754 113 L CB -1.539 40.473 42.059 -0.077 0.000 0.893 113 L HN 0.482 nan 8.230 nan 0.000 0.433 114 N N 0.361 119.042 118.700 -0.031 0.000 2.037 114 N HA -0.187 4.557 4.740 0.007 0.000 0.196 114 N C 0.634 176.149 175.510 0.008 0.000 1.034 114 N CA 1.352 54.398 53.050 -0.007 0.000 0.861 114 N CB -0.412 38.068 38.487 -0.012 0.000 1.039 114 N HN 0.395 nan 8.380 nan 0.000 0.427 115 N N 0.518 119.219 118.700 0.003 0.000 3.210 115 N HA 0.078 4.822 4.740 0.007 0.000 0.314 115 N C 0.128 175.647 175.510 0.016 0.000 1.291 115 N CA 0.300 53.357 53.050 0.011 0.000 1.202 115 N CB 0.346 38.838 38.487 0.008 0.000 1.475 115 N HN 0.379 nan 8.380 nan 0.000 0.554 116 I N -2.100 118.483 120.570 0.021 0.000 3.560 116 I HA -0.107 4.067 4.170 0.007 0.000 0.267 116 I C 1.506 177.644 176.117 0.035 0.000 1.051 116 I CA 0.158 61.477 61.300 0.031 0.000 1.433 116 I CB 0.060 38.079 38.000 0.031 0.000 1.972 116 I HN -0.106 nan 8.210 nan 0.000 0.362 117 V N 1.071 121.004 119.914 0.031 0.000 2.237 117 V HA -0.275 3.850 4.120 0.007 0.000 0.245 117 V C 2.236 178.350 176.094 0.033 0.000 1.046 117 V CA 2.226 64.547 62.300 0.034 0.000 1.007 117 V CB -0.982 30.863 31.823 0.035 0.000 0.638 117 V HN 0.306 nan 8.190 nan 0.000 0.445 118 K N -0.466 119.956 120.400 0.037 0.000 2.169 118 K HA -0.337 3.987 4.320 0.007 0.000 0.213 118 K C 2.196 178.814 176.600 0.030 0.000 1.050 118 K CA 2.195 58.505 56.287 0.038 0.000 0.935 118 K CB -0.837 31.687 32.500 0.040 0.000 0.722 118 K HN 0.581 nan 8.250 nan 0.000 0.468 119 C N -0.304 119.012 119.300 0.028 0.000 2.375 119 C HA -0.154 4.311 4.460 0.007 0.000 0.274 119 C C 1.621 176.622 174.990 0.019 0.000 1.190 119 C CA 0.902 59.934 59.018 0.023 0.000 1.775 119 C CB -0.711 27.043 27.740 0.023 0.000 2.067 119 C HN 0.631 nan 8.230 nan 0.000 0.463 120 Q N -2.163 117.648 119.800 0.019 0.000 2.713 120 Q HA 0.084 4.428 4.340 0.007 0.000 0.325 120 Q C -1.616 174.392 176.000 0.014 0.000 0.693 120 Q CA -0.631 55.180 55.803 0.013 0.000 1.058 120 Q CB 0.085 28.828 28.738 0.008 0.000 1.228 120 Q HN 0.531 nan 8.270 nan 0.000 0.477 121 K N 1.017 121.423 120.400 0.010 0.000 2.154 121 K HA 0.601 4.925 4.320 0.007 0.000 0.264 121 K C -0.410 176.196 176.600 0.009 0.000 1.008 121 K CA -0.443 55.851 56.287 0.012 0.000 0.937 121 K CB 0.877 33.384 32.500 0.011 0.000 1.002 121 K HN 0.370 nan 8.250 nan 0.000 0.469 122 L N 0.896 122.130 121.223 0.018 0.000 2.365 122 L HA 0.294 4.638 4.340 0.007 0.000 0.267 122 L C 0.336 177.204 176.870 -0.003 0.000 1.033 122 L CA -0.660 54.188 54.840 0.012 0.000 0.802 122 L CB 1.961 44.055 42.059 0.057 0.000 1.267 122 L HN 0.932 nan 8.230 nan 0.000 0.457 123 T N -2.157 112.358 114.554 -0.065 0.000 2.907 123 T HA 0.008 4.362 4.350 0.007 0.000 0.298 123 T C 0.796 175.525 174.700 0.047 0.000 1.017 123 T CA -0.286 61.772 62.100 -0.071 0.000 1.118 123 T CB 0.858 69.577 68.868 -0.247 0.000 0.948 123 T HN 0.707 nan 8.240 nan 0.000 0.531 124 D N 2.113 122.560 120.400 0.079 0.000 2.190 124 D HA -0.147 4.497 4.640 0.007 0.000 0.200 124 D C 1.509 177.920 176.300 0.184 0.000 0.992 124 D CA 1.623 55.717 54.000 0.156 0.000 0.854 124 D CB -0.000 40.891 40.800 0.153 0.000 0.936 124 D HN 0.688 nan 8.370 nan 0.000 0.462 125 D N -1.193 119.316 120.400 0.181 0.000 2.117 125 D HA -0.119 4.525 4.640 0.007 0.000 0.198 125 D C 1.775 178.284 176.300 0.347 0.000 0.982 125 D CA 0.827 54.981 54.000 0.257 0.000 0.828 125 D CB -0.276 40.683 40.800 0.264 0.000 0.967 125 D HN 0.582 nan 8.370 nan 0.000 0.464 126 H N -0.015 119.129 119.070 0.124 0.000 2.495 126 H HA -0.007 4.553 4.556 0.007 0.000 0.287 126 H C 2.182 177.595 175.328 0.142 0.000 1.033 126 H CA 0.022 56.157 56.048 0.146 0.000 1.307 126 H CB 0.687 30.514 29.762 0.108 0.000 1.401 126 H HN -0.022 nan 8.280 nan 0.000 0.555 127 V N 1.042 121.116 119.914 0.267 0.000 2.407 127 V HA -0.196 3.928 4.120 0.007 0.000 0.245 127 V C 2.159 178.409 176.094 0.261 0.000 1.041 127 V CA 1.389 63.827 62.300 0.230 0.000 1.040 127 V CB -0.200 31.768 31.823 0.241 0.000 0.671 127 V HN 0.440 nan 8.190 nan 0.000 0.455 128 Q N -1.012 118.908 119.800 0.200 0.000 2.084 128 Q HA -0.203 4.141 4.340 0.007 0.000 0.202 128 Q C 2.190 178.243 176.000 0.088 0.000 0.978 128 Q CA 1.859 57.749 55.803 0.146 0.000 0.844 128 Q CB -0.288 28.426 28.738 -0.039 0.000 0.898 128 Q HN 0.585 nan 8.270 nan 0.000 0.426 129 F N 1.552 121.309 119.950 -0.322 0.000 2.051 129 F HA -0.168 4.363 4.527 0.007 0.000 0.296 129 F C 1.880 177.530 175.800 -0.250 0.000 1.122 129 F CA 1.253 58.905 58.000 -0.580 0.000 1.201 129 F CB -0.528 38.185 39.000 -0.478 0.000 0.978 129 F HN -0.055 nan 8.300 nan 0.000 0.472 130 L N -0.293 120.825 121.223 -0.175 0.000 1.989 130 L HA -0.283 4.061 4.340 0.007 0.000 0.211 130 L C 2.477 179.218 176.870 -0.216 0.000 1.071 130 L CA 0.952 55.640 54.840 -0.253 0.000 0.749 130 L CB -0.844 41.159 42.059 -0.094 0.000 0.890 130 L HN 0.121 nan 8.230 nan 0.000 0.431 131 I N -0.918 119.613 120.570 -0.065 0.000 2.226 131 I HA -0.324 3.850 4.170 0.007 0.000 0.245 131 I C 2.489 178.426 176.117 -0.299 0.000 1.100 131 I CA 1.534 62.803 61.300 -0.051 0.000 1.374 131 I CB -1.309 36.836 38.000 0.241 0.000 1.057 131 I HN 0.270 nan 8.210 nan 0.000 0.413 132 Y N 2.218 122.165 120.300 -0.589 0.000 2.128 132 Y HA -0.304 4.250 4.550 0.007 0.000 0.284 132 Y C 2.697 178.273 175.900 -0.541 0.000 1.154 132 Y CA 2.018 59.574 58.100 -0.906 0.000 1.149 132 Y CB -0.458 37.565 38.460 -0.727 0.000 0.976 132 Y HN 0.270 nan 8.280 nan 0.000 0.505 133 Q N -0.033 119.440 119.800 -0.545 0.000 2.084 133 Q HA -0.178 4.166 4.340 0.007 0.000 0.202 133 Q C 2.381 178.114 176.000 -0.445 0.000 0.978 133 Q CA 2.065 57.556 55.803 -0.520 0.000 0.844 133 Q CB -0.235 28.206 28.738 -0.496 0.000 0.898 133 Q HN 0.576 nan 8.270 nan 0.000 0.426 134 I N 0.637 120.975 120.570 -0.386 0.000 2.163 134 I HA -0.299 3.875 4.170 0.007 0.000 0.243 134 I C 2.146 178.058 176.117 -0.341 0.000 1.085 134 I CA 1.192 62.299 61.300 -0.322 0.000 1.347 134 I CB -0.246 37.601 38.000 -0.255 0.000 1.044 134 I HN 0.220 nan 8.210 nan 0.000 0.408 135 L N 0.057 121.051 121.223 -0.382 0.000 2.201 135 L HA -0.171 4.173 4.340 0.007 0.000 0.212 135 L C 2.702 179.350 176.870 -0.371 0.000 1.105 135 L CA 0.977 55.611 54.840 -0.342 0.000 0.775 135 L CB -0.471 41.384 42.059 -0.340 0.000 0.913 135 L HN 0.208 nan 8.230 nan 0.000 0.440 136 R N 0.098 120.302 120.500 -0.493 0.000 2.062 136 R HA -0.097 4.247 4.340 0.007 0.000 0.229 136 R C 2.306 178.405 176.300 -0.335 0.000 1.128 136 R CA 1.341 57.216 56.100 -0.376 0.000 0.960 136 R CB -0.420 29.628 30.300 -0.421 0.000 0.855 136 R HN 0.328 nan 8.270 nan 0.000 0.432 137 G N 0.904 109.449 108.800 -0.424 0.000 2.418 137 G HA2 -0.239 3.725 3.960 0.007 0.000 0.217 137 G HA3 -0.239 3.725 3.960 0.007 0.000 0.217 137 G C 1.225 175.901 174.900 -0.373 0.000 1.158 137 G CA 0.404 45.151 45.100 -0.588 0.000 0.771 137 G HN 0.195 nan 8.290 nan 0.000 0.545 138 L N 0.977 121.986 121.223 -0.356 0.000 2.042 138 L HA -0.005 4.339 4.340 0.007 0.000 0.210 138 L C 2.724 179.324 176.870 -0.451 0.000 1.076 138 L CA 2.084 56.642 54.840 -0.469 0.000 0.749 138 L CB -0.537 41.253 42.059 -0.449 0.000 0.893 138 L HN 0.295 nan 8.230 nan 0.000 0.432 139 K N -1.762 118.493 120.400 -0.242 0.000 2.147 139 K HA -0.267 4.057 4.320 0.007 0.000 0.205 139 K C 2.305 178.884 176.600 -0.035 0.000 1.049 139 K CA 1.717 57.950 56.287 -0.091 0.000 0.936 139 K CB -0.327 32.160 32.500 -0.021 0.000 0.722 139 K HN 0.402 nan 8.250 nan 0.000 0.446 140 Y N 0.971 121.158 120.300 -0.189 0.000 2.243 140 Y HA -0.047 4.507 4.550 0.007 0.000 0.293 140 Y C 1.788 177.647 175.900 -0.069 0.000 1.124 140 Y CA 1.206 59.235 58.100 -0.119 0.000 1.159 140 Y CB 0.015 38.315 38.460 -0.267 0.000 1.008 140 Y HN -0.045 nan 8.280 nan 0.000 0.527 141 I N -0.175 120.383 120.570 -0.020 0.000 2.179 141 I HA -0.349 3.825 4.170 0.007 0.000 0.242 141 I C 2.116 178.271 176.117 0.063 0.000 1.088 141 I CA 1.903 63.225 61.300 0.037 0.000 1.357 141 I CB -0.577 37.489 38.000 0.109 0.000 1.051 141 I HN 0.330 nan 8.210 nan 0.000 0.409 142 H N -0.242 118.829 119.070 0.003 0.000 2.423 142 H HA -0.106 4.454 4.556 0.007 0.000 0.297 142 H C 2.468 177.794 175.328 -0.003 0.000 1.075 142 H CA 1.066 57.123 56.048 0.014 0.000 1.342 142 H CB 0.023 29.801 29.762 0.026 0.000 1.395 142 H HN 0.367 nan 8.280 nan 0.000 0.530 143 S N 0.701 116.444 115.700 0.072 0.000 2.469 143 S HA -0.054 4.420 4.470 0.007 0.000 0.238 143 S C 1.879 176.484 174.600 0.007 0.000 0.998 143 S CA 0.692 58.906 58.200 0.024 0.000 0.957 143 S CB 0.028 63.212 63.200 -0.027 0.000 0.764 143 S HN 0.412 nan 8.310 nan 0.000 0.514 144 A N 0.456 123.268 122.820 -0.015 0.000 2.465 144 A HA 0.429 4.753 4.320 0.007 0.000 0.255 144 A C 0.264 177.910 177.584 0.103 0.000 1.274 144 A CA 0.112 52.167 52.037 0.030 0.000 0.920 144 A CB -0.219 18.752 19.000 -0.048 0.000 1.033 144 A HN 0.320 nan 8.150 nan 0.000 0.516 145 D N -0.809 119.654 120.400 0.105 0.000 2.800 145 D HA -0.143 4.501 4.640 0.007 0.000 0.232 145 D C -0.342 176.046 176.300 0.146 0.000 1.137 145 D CA 1.055 55.126 54.000 0.119 0.000 0.718 145 D CB -1.501 39.369 40.800 0.116 0.000 1.084 145 D HN 0.572 nan 8.370 nan 0.000 0.432 146 I N 0.273 120.933 120.570 0.151 0.000 2.493 146 I HA 0.433 4.607 4.170 0.007 0.000 0.298 146 I C 0.513 176.776 176.117 0.242 0.000 0.998 146 I CA -0.895 60.508 61.300 0.172 0.000 1.137 146 I CB 1.654 39.718 38.000 0.106 0.000 1.310 146 I HN -0.145 nan 8.210 nan 0.000 0.445 147 I N 4.921 125.610 120.570 0.198 0.000 2.382 147 I HA 0.186 4.360 4.170 0.007 0.000 0.286 147 I C 1.113 177.314 176.117 0.139 0.000 1.002 147 I CA -0.517 60.876 61.300 0.154 0.000 1.135 147 I CB 1.497 39.538 38.000 0.068 0.000 1.288 147 I HN 0.680 nan 8.210 nan 0.000 0.448 148 H N 6.798 125.880 119.070 0.020 0.000 2.319 148 H HA -0.094 4.466 4.556 0.007 0.000 0.299 148 H C 1.278 176.518 175.328 -0.147 0.000 1.092 148 H CA 2.256 58.188 56.048 -0.192 0.000 1.302 148 H CB 0.412 29.926 29.762 -0.415 0.000 1.373 148 H HN 0.660 nan 8.280 nan 0.000 0.497 149 R N -1.153 119.362 120.500 0.025 0.000 3.746 149 R HA -0.182 4.162 4.340 0.007 0.000 0.465 149 R C -0.294 176.001 176.300 -0.007 0.000 0.725 149 R CA 1.459 57.497 56.100 -0.102 0.000 1.545 149 R CB -1.271 28.920 30.300 -0.182 0.000 2.197 149 R HN 0.325 nan 8.270 nan 0.000 0.438 150 D N 0.322 120.851 120.400 0.215 0.000 2.945 150 D HA 0.239 4.883 4.640 0.007 0.000 0.369 150 D C -0.892 175.425 176.300 0.030 0.000 1.294 150 D CA -0.167 53.906 54.000 0.122 0.000 0.778 150 D CB 0.347 41.181 40.800 0.057 0.000 1.188 150 D HN 0.103 nan 8.370 nan 0.000 0.479 151 L N 2.442 123.571 121.223 -0.156 0.000 2.407 151 L HA 0.244 4.588 4.340 0.007 0.000 0.282 151 L C 0.429 177.108 176.870 -0.318 0.000 1.110 151 L CA 0.298 54.889 54.840 -0.414 0.000 0.863 151 L CB 0.071 41.904 42.059 -0.376 0.000 1.207 151 L HN 0.092 nan 8.230 nan 0.000 0.454 152 K N 2.831 122.988 120.400 -0.404 0.000 2.512 152 K HA 0.507 4.831 4.320 0.007 0.000 0.263 152 K C -2.721 173.596 176.600 -0.472 0.000 0.966 152 K CA -1.852 54.048 56.287 -0.646 0.000 0.851 152 K CB 1.518 33.596 32.500 -0.703 0.000 1.395 152 K HN -0.109 nan 8.250 nan 0.000 0.440 153 P HA -0.262 nan 4.420 nan 0.000 0.216 153 P C 1.092 178.277 177.300 -0.192 0.000 1.154 153 P CA 2.013 64.961 63.100 -0.254 0.000 0.865 153 P CB -0.005 31.593 31.700 -0.169 0.000 0.789 154 S N -2.000 113.585 115.700 -0.192 0.000 2.547 154 S HA -0.086 4.388 4.470 0.007 0.000 0.235 154 S C 1.248 175.769 174.600 -0.132 0.000 0.980 154 S CA 0.944 59.064 58.200 -0.133 0.000 0.941 154 S CB -1.189 61.943 63.200 -0.114 0.000 0.763 154 S HN 0.327 nan 8.310 nan 0.000 0.532 155 N N 0.438 119.035 118.700 -0.170 0.000 2.214 155 N HA 0.339 5.083 4.740 0.007 0.000 0.214 155 N C -1.071 174.341 175.510 -0.164 0.000 1.132 155 N CA -0.084 52.877 53.050 -0.147 0.000 0.856 155 N CB 0.433 38.831 38.487 -0.148 0.000 1.020 155 N HN 0.301 nan 8.380 nan 0.000 0.509 156 L N 1.383 122.508 121.223 -0.162 0.000 2.345 156 L HA 0.548 4.892 4.340 0.007 0.000 0.274 156 L C -0.234 176.569 176.870 -0.112 0.000 0.999 156 L CA -0.817 53.929 54.840 -0.157 0.000 0.849 156 L CB 1.517 43.467 42.059 -0.183 0.000 1.220 156 L HN -0.053 nan 8.230 nan 0.000 0.422 157 A N 3.892 126.659 122.820 -0.089 0.000 2.450 157 A HA 0.601 4.925 4.320 0.007 0.000 0.255 157 A C -0.150 177.390 177.584 -0.073 0.000 1.096 157 A CA -0.132 51.865 52.037 -0.065 0.000 0.778 157 A CB 0.466 19.439 19.000 -0.045 0.000 1.031 157 A HN 0.436 nan 8.150 nan 0.000 0.494 158 V N 4.136 124.016 119.914 -0.057 0.000 2.656 158 V HA 0.389 4.513 4.120 0.007 0.000 0.307 158 V C -0.210 175.867 176.094 -0.028 0.000 1.051 158 V CA -0.886 61.382 62.300 -0.054 0.000 0.893 158 V CB 1.799 33.592 31.823 -0.049 0.000 0.999 158 V HN 1.101 nan 8.190 nan 0.000 0.426 159 N N 2.390 121.076 118.700 -0.023 0.000 2.518 159 N HA 0.272 5.016 4.740 0.007 0.000 0.284 159 N C 0.777 176.296 175.510 0.015 0.000 1.230 159 N CA -0.503 52.545 53.050 -0.002 0.000 0.941 159 N CB 0.877 39.361 38.487 -0.004 0.000 1.219 159 N HN 0.632 nan 8.380 nan 0.000 0.560 160 E N -0.708 119.504 120.200 0.020 0.000 2.147 160 E HA -0.224 4.130 4.350 0.007 0.000 0.199 160 E C -0.144 176.476 176.600 0.032 0.000 1.005 160 E CA 1.906 58.322 56.400 0.027 0.000 0.810 160 E CB -0.346 29.369 29.700 0.024 0.000 0.736 160 E HN 0.600 nan 8.360 nan 0.000 0.460 161 D N -0.467 119.956 120.400 0.037 0.000 2.395 161 D HA 0.108 4.752 4.640 0.007 0.000 0.226 161 D C -0.293 176.075 176.300 0.112 0.000 1.146 161 D CA -0.019 54.011 54.000 0.049 0.000 0.830 161 D CB 0.040 40.870 40.800 0.050 0.000 0.958 161 D HN 0.164 nan 8.370 nan 0.000 0.501 162 C N 1.958 121.309 119.300 0.085 0.000 4.454 162 C HA -0.166 4.299 4.460 0.007 0.000 0.298 162 C C 0.361 175.378 174.990 0.047 0.000 1.384 162 C CA 0.126 59.202 59.018 0.097 0.000 2.002 162 C CB -2.038 25.796 27.740 0.157 0.000 1.249 162 C HN 0.343 nan 8.230 nan 0.000 0.783 163 E N 0.150 120.355 120.200 0.008 0.000 2.167 163 E HA 0.501 4.855 4.350 0.007 0.000 0.284 163 E C -0.072 176.441 176.600 -0.145 0.000 1.016 163 E CA -0.321 56.024 56.400 -0.092 0.000 0.817 163 E CB 1.591 31.281 29.700 -0.017 0.000 1.080 163 E HN 0.644 nan 8.360 nan 0.000 0.397 164 L N 2.816 123.899 121.223 -0.234 0.000 2.325 164 L HA 0.475 4.819 4.340 0.007 0.000 0.278 164 L C -0.800 175.969 176.870 -0.168 0.000 1.023 164 L CA -0.566 54.154 54.840 -0.199 0.000 0.811 164 L CB 1.029 42.937 42.059 -0.250 0.000 1.249 164 L HN 0.369 nan 8.230 nan 0.000 0.431 165 K N 4.790 125.112 120.400 -0.130 0.000 2.443 165 K HA 0.522 4.846 4.320 0.007 0.000 0.252 165 K C -1.274 175.272 176.600 -0.090 0.000 0.933 165 K CA -0.563 55.667 56.287 -0.094 0.000 0.792 165 K CB 2.037 34.498 32.500 -0.064 0.000 1.185 165 K HN 0.535 nan 8.250 nan 0.000 0.425 166 I N 6.054 126.576 120.570 -0.079 0.000 2.371 166 I HA 0.205 4.379 4.170 0.007 0.000 0.290 166 I C -0.303 175.851 176.117 0.062 0.000 1.028 166 I CA -0.532 60.707 61.300 -0.102 0.000 1.345 166 I CB 0.337 38.221 38.000 -0.194 0.000 1.407 166 I HN 0.397 nan 8.210 nan 0.000 0.501 167 L N 2.747 124.003 121.223 0.055 0.000 2.218 167 L HA 0.685 5.029 4.340 0.007 0.000 0.243 167 L C -0.219 176.779 176.870 0.214 0.000 1.132 167 L CA -0.921 54.031 54.840 0.186 0.000 1.052 167 L CB -0.084 42.022 42.059 0.077 0.000 1.599 167 L HN 0.292 nan 8.230 nan 0.000 0.468 168 D N 0.214 120.699 120.400 0.143 0.000 2.697 168 D HA -0.208 4.436 4.640 0.007 0.000 0.235 168 D C -0.310 175.988 176.300 -0.002 0.000 1.167 168 D CA 0.781 54.811 54.000 0.050 0.000 0.656 168 D CB -0.940 39.848 40.800 -0.021 0.000 1.025 168 D HN 0.357 nan 8.370 nan 0.000 0.419 169 F N -0.129 119.658 119.950 -0.270 0.000 2.587 169 F HA 0.291 4.822 4.527 0.006 0.000 0.319 169 F C 2.212 177.734 175.800 -0.464 0.000 1.253 169 F CA 0.931 58.528 58.000 -0.671 0.000 1.345 169 F CB 0.163 38.937 39.000 -0.378 0.000 1.172 169 F HN 0.059 nan 8.300 nan 0.000 0.588 170 G N 0.305 108.943 108.800 -0.270 0.000 2.471 170 G HA2 -0.021 3.943 3.960 0.007 0.000 0.211 170 G HA3 -0.021 3.943 3.960 0.007 0.000 0.211 170 G C 0.466 175.325 174.900 -0.069 0.000 1.194 170 G CA -0.242 44.772 45.100 -0.143 0.000 0.816 170 G HN 0.351 nan 8.290 nan 0.000 0.545 171 L N 1.882 123.105 121.223 0.001 0.000 5.843 171 L HA 0.020 4.364 4.340 0.007 0.000 0.338 171 L C 1.135 177.982 176.870 -0.037 0.000 1.511 171 L CA 1.383 56.237 54.840 0.023 0.000 0.980 171 L CB -2.272 39.831 42.059 0.074 0.000 1.580 171 L HN 0.591 nan 8.230 nan 0.000 0.314 172 A N 1.611 124.356 122.820 -0.125 0.000 3.522 172 A HA 0.035 4.359 4.320 0.007 0.000 0.100 172 A C 0.671 177.957 177.584 -0.497 0.000 1.309 172 A CA -0.172 51.733 52.037 -0.221 0.000 1.277 172 A CB -0.147 18.765 19.000 -0.148 0.000 0.983 172 A HN 0.376 nan 8.150 nan 0.000 0.456 173 R N 1.225 121.501 120.500 -0.374 0.000 2.698 173 R HA 0.282 4.626 4.340 0.007 0.000 0.266 173 R C -1.115 174.888 176.300 -0.494 0.000 1.026 173 R CA 0.484 56.337 56.100 -0.411 0.000 1.102 173 R CB -0.098 30.099 30.300 -0.172 0.000 0.978 173 R HN 0.732 nan 8.270 nan 0.000 0.436 174 H N 1.159 120.204 119.070 -0.041 0.000 2.685 174 H HA 0.153 4.713 4.556 0.007 0.000 0.307 174 H C -0.440 174.877 175.328 -0.017 0.000 1.017 174 H CA -0.583 55.451 56.048 -0.024 0.000 1.237 174 H CB 1.458 31.201 29.762 -0.032 0.000 1.409 174 H HN 0.590 nan 8.280 nan 0.000 0.488 175 T N 0.547 115.145 114.554 0.073 0.000 2.708 175 T HA -0.018 4.337 4.350 0.007 0.000 0.271 175 T C 0.064 174.795 174.700 0.051 0.000 0.985 175 T CA -0.144 61.981 62.100 0.041 0.000 1.229 175 T CB -0.072 68.810 68.868 0.023 0.000 0.934 175 T HN 0.659 nan 8.240 nan 0.000 0.522 176 D N 2.242 122.666 120.400 0.040 0.000 2.575 176 D HA 0.348 4.993 4.640 0.007 0.000 0.250 176 D C -0.281 176.032 176.300 0.022 0.000 1.279 176 D CA -0.493 53.525 54.000 0.031 0.000 0.925 176 D CB 0.866 41.685 40.800 0.031 0.000 1.261 176 D HN 0.547 nan 8.370 nan 0.000 0.567 177 D N 2.154 122.568 120.400 0.023 0.000 3.046 177 D HA -0.198 4.446 4.640 0.007 0.000 0.210 177 D C 0.343 176.654 176.300 0.019 0.000 1.124 177 D CA 1.334 55.347 54.000 0.022 0.000 0.986 177 D CB -0.491 40.316 40.800 0.013 0.000 1.118 177 D HN 0.685 nan 8.370 nan 0.000 0.416 178 E N -0.537 119.671 120.200 0.013 0.000 2.452 178 E HA 0.119 4.473 4.350 0.007 0.000 0.197 178 E C 1.109 177.691 176.600 -0.029 0.000 1.022 178 E CA 0.252 56.646 56.400 -0.010 0.000 0.890 178 E CB 0.218 29.908 29.700 -0.016 0.000 0.918 178 E HN 0.343 nan 8.360 nan 0.000 0.496 179 M N 1.243 120.845 119.600 0.003 0.000 2.626 179 M HA 0.192 4.676 4.480 0.007 0.000 0.262 179 M C -0.144 176.172 176.300 0.025 0.000 1.256 179 M CA 0.383 55.665 55.300 -0.029 0.000 0.981 179 M CB -0.181 32.419 32.600 0.000 0.000 1.492 179 M HN -0.181 nan 8.290 nan 0.000 0.474 180 T N 1.036 115.618 114.554 0.047 0.000 2.829 180 T HA 0.655 5.009 4.350 0.007 0.000 0.282 180 T C 0.836 175.571 174.700 0.059 0.000 0.990 180 T CA 0.467 62.624 62.100 0.096 0.000 1.028 180 T CB 1.875 70.794 68.868 0.084 0.000 0.951 180 T HN 0.711 nan 8.240 nan 0.000 0.460 181 G N 1.941 110.806 108.800 0.108 0.000 2.542 181 G HA2 -0.249 3.716 3.960 0.007 0.000 0.235 181 G HA3 -0.249 3.716 3.960 0.007 0.000 0.235 181 G C -0.644 174.380 174.900 0.208 0.000 1.286 181 G CA -0.420 44.767 45.100 0.146 0.000 0.904 181 G HN 0.750 nan 8.290 nan 0.000 0.577 182 Y N 1.885 122.261 120.300 0.126 0.000 2.667 182 Y HA 0.483 5.037 4.550 0.007 0.000 0.340 182 Y C 0.911 176.881 175.900 0.116 0.000 1.303 182 Y CA -0.211 58.051 58.100 0.271 0.000 1.769 182 Y CB -0.279 38.335 38.460 0.257 0.000 1.804 182 Y HN 0.938 nan 8.280 nan 0.000 0.451 183 V N 0.806 120.520 119.914 -0.333 0.000 2.540 183 V HA 0.726 4.850 4.120 0.007 0.000 0.302 183 V C 0.751 175.868 176.094 -1.628 0.000 1.035 183 V CA -0.320 61.537 62.300 -0.738 0.000 0.873 183 V CB 1.119 32.716 31.823 -0.376 0.000 0.992 183 V HN 0.492 nan 8.190 nan 0.000 0.428 184 A N 2.873 124.641 122.820 -1.753 0.000 2.172 184 A HA -0.035 4.289 4.320 0.007 0.000 0.216 184 A C 2.061 179.343 177.584 -0.503 0.000 1.154 184 A CA 1.838 52.989 52.037 -1.478 0.000 0.701 184 A CB -0.800 17.820 19.000 -0.633 0.000 0.789 184 A HN 1.410 nan 8.150 nan 0.000 0.465 185 T N -3.279 111.009 114.554 -0.442 0.000 3.007 185 T HA -0.067 4.287 4.350 0.007 0.000 0.270 185 T C 1.700 176.317 174.700 -0.137 0.000 1.107 185 T CA 1.376 63.354 62.100 -0.203 0.000 1.118 185 T CB -0.139 68.621 68.868 -0.180 0.000 0.889 185 T HN 0.511 nan 8.240 nan 0.000 0.506 186 R N -1.487 118.858 120.500 -0.258 0.000 2.394 186 R HA 0.170 4.514 4.340 0.007 0.000 0.220 186 R C 1.176 177.485 176.300 0.015 0.000 0.887 186 R CA -0.198 55.814 56.100 -0.146 0.000 1.034 186 R CB 0.208 30.357 30.300 -0.252 0.000 1.179 186 R HN 0.365 nan 8.270 nan 0.000 0.561 187 W N 0.243 121.498 121.300 -0.075 0.000 2.480 187 W HA -0.112 4.552 4.660 0.007 0.000 0.257 187 W C 0.483 176.793 176.519 -0.348 0.000 1.235 187 W CA 0.603 57.793 57.345 -0.258 0.000 1.218 187 W CB -0.453 28.716 29.460 -0.484 0.000 1.131 187 W HN 0.186 nan 8.180 nan 0.000 0.606 188 Y N -0.412 120.053 120.300 0.275 0.000 2.481 188 Y HA 0.235 4.790 4.550 0.007 0.000 0.247 188 Y C 1.215 177.277 175.900 0.270 0.000 1.151 188 Y CA -0.623 57.639 58.100 0.269 0.000 1.238 188 Y CB -0.284 38.263 38.460 0.145 0.000 1.179 188 Y HN -0.381 nan 8.280 nan 0.000 0.524 189 R N 1.485 122.134 120.500 0.247 0.000 2.490 189 R HA 0.492 4.836 4.340 0.007 0.000 0.280 189 R C 0.321 176.555 176.300 -0.110 0.000 1.077 189 R CA -0.116 56.025 56.100 0.068 0.000 1.065 189 R CB 0.587 30.862 30.300 -0.042 0.000 1.003 189 R HN 0.148 nan 8.270 nan 0.000 0.470 190 A N 4.865 127.491 122.820 -0.323 0.000 2.445 190 A HA 0.193 4.517 4.320 0.007 0.000 0.242 190 A C -1.118 176.009 177.584 -0.761 0.000 1.075 190 A CA -1.132 50.340 52.037 -0.943 0.000 0.777 190 A CB 0.009 18.659 19.000 -0.583 0.000 1.013 190 A HN 0.506 nan 8.150 nan 0.000 0.493 191 P HA -0.224 nan 4.420 nan 0.000 0.216 191 P C 1.071 177.747 177.300 -1.040 0.000 1.150 191 P CA 1.649 64.220 63.100 -0.882 0.000 0.837 191 P CB 0.021 31.221 31.700 -0.833 0.000 0.786 192 E N 0.281 120.073 120.200 -0.679 0.000 2.268 192 E HA -0.145 4.209 4.350 0.007 0.000 0.195 192 E C 2.033 178.501 176.600 -0.220 0.000 0.995 192 E CA 0.833 57.041 56.400 -0.320 0.000 0.836 192 E CB -0.867 28.867 29.700 0.055 0.000 0.763 192 E HN 0.342 nan 8.360 nan 0.000 0.491 193 I N -0.836 119.603 120.570 -0.219 0.000 3.526 193 I HA 0.047 4.221 4.170 0.007 0.000 0.294 193 I C 2.428 178.469 176.117 -0.127 0.000 1.229 193 I CA 0.034 61.306 61.300 -0.048 0.000 1.408 193 I CB 0.094 38.093 38.000 -0.002 0.000 1.127 193 I HN 0.011 nan 8.210 nan 0.000 0.439 194 M N 0.208 119.651 119.600 -0.261 0.000 2.175 194 M HA -0.122 4.363 4.480 0.007 0.000 0.264 194 M C 0.767 176.980 176.300 -0.146 0.000 1.063 194 M CA 1.592 56.773 55.300 -0.198 0.000 1.119 194 M CB 0.254 32.691 32.600 -0.272 0.000 1.377 194 M HN 0.233 nan 8.290 nan 0.000 0.415 195 L N 0.277 121.283 121.223 -0.362 0.000 2.959 195 L HA 0.262 4.606 4.340 0.007 0.000 0.259 195 L C -0.053 176.709 176.870 -0.181 0.000 1.185 195 L CA 0.398 55.067 54.840 -0.285 0.000 0.998 195 L CB -1.173 40.619 42.059 -0.445 0.000 1.337 195 L HN 0.339 nan 8.230 nan 0.000 0.555 196 N N -0.868 117.740 118.700 -0.154 0.000 2.699 196 N HA -0.269 4.475 4.740 0.007 0.000 0.256 196 N C 0.654 176.221 175.510 0.094 0.000 0.993 196 N CA 0.419 53.444 53.050 -0.043 0.000 0.759 196 N CB -0.389 38.066 38.487 -0.053 0.000 0.906 196 N HN 0.334 nan 8.380 nan 0.000 0.541 197 W N -0.216 121.074 121.300 -0.017 0.000 2.358 197 W HA 0.027 4.691 4.660 0.007 0.000 0.303 197 W C 1.344 177.868 176.519 0.010 0.000 1.208 197 W CA 0.854 58.197 57.345 -0.003 0.000 1.274 197 W CB -0.389 29.070 29.460 -0.001 0.000 1.138 197 W HN 0.344 nan 8.180 nan 0.000 0.515 198 M N -2.495 117.265 119.600 0.267 0.000 2.683 198 M HA 0.393 4.877 4.480 0.007 0.000 0.274 198 M C -0.680 175.691 176.300 0.119 0.000 1.272 198 M CA -0.825 54.605 55.300 0.217 0.000 0.833 198 M CB 2.155 34.883 32.600 0.213 0.000 1.708 198 M HN -0.216 nan 8.290 nan 0.000 0.463 199 H N 1.673 120.728 119.070 -0.024 0.000 2.848 199 H HA 0.231 4.791 4.556 0.007 0.000 0.317 199 H C -1.147 174.129 175.328 -0.086 0.000 1.046 199 H CA -0.154 55.804 56.048 -0.151 0.000 1.470 199 H CB 0.238 29.909 29.762 -0.152 0.000 1.483 199 H HN 0.610 nan 8.280 nan 0.000 0.548 200 Y N 1.417 121.766 120.300 0.081 0.000 2.379 200 Y HA 0.126 4.680 4.550 0.007 0.000 0.337 200 Y C 0.311 176.234 175.900 0.039 0.000 1.238 200 Y CA -1.240 56.887 58.100 0.044 0.000 1.405 200 Y CB 0.202 38.665 38.460 0.004 0.000 1.310 200 Y HN 0.549 nan 8.280 nan 0.000 0.569 201 N N 0.565 119.425 118.700 0.268 0.000 2.525 201 N HA 0.191 4.935 4.740 0.007 0.000 0.288 201 N C 0.339 175.889 175.510 0.068 0.000 1.242 201 N CA -0.702 52.434 53.050 0.143 0.000 0.905 201 N CB 1.351 39.889 38.487 0.086 0.000 1.258 201 N HN 0.741 nan 8.380 nan 0.000 0.551 202 Q N -1.092 118.672 119.800 -0.060 0.000 2.439 202 Q HA -0.079 4.265 4.340 0.007 0.000 0.211 202 Q C 0.734 176.617 176.000 -0.194 0.000 0.978 202 Q CA 1.502 57.139 55.803 -0.276 0.000 0.897 202 Q CB -0.716 27.595 28.738 -0.712 0.000 0.956 202 Q HN 0.803 nan 8.270 nan 0.000 0.483 203 T N -0.806 113.726 114.554 -0.037 0.000 3.098 203 T HA -0.032 4.323 4.350 0.007 0.000 0.266 203 T C 1.943 176.715 174.700 0.119 0.000 1.145 203 T CA 0.795 62.934 62.100 0.064 0.000 1.092 203 T CB -0.471 68.455 68.868 0.097 0.000 0.908 203 T HN 0.342 nan 8.240 nan 0.000 0.526 204 V N -0.229 119.723 119.914 0.065 0.000 2.626 204 V HA -0.096 4.028 4.120 0.007 0.000 0.252 204 V C 2.028 178.196 176.094 0.123 0.000 1.067 204 V CA 1.624 63.962 62.300 0.063 0.000 1.081 204 V CB -0.687 31.092 31.823 -0.074 0.000 0.686 204 V HN 0.186 nan 8.190 nan 0.000 0.468 205 D N 0.660 121.121 120.400 0.102 0.000 2.149 205 D HA -0.020 4.624 4.640 0.007 0.000 0.201 205 D C 2.148 178.545 176.300 0.161 0.000 0.972 205 D CA 1.235 55.318 54.000 0.139 0.000 0.835 205 D CB -0.091 40.867 40.800 0.263 0.000 0.966 205 D HN 0.389 nan 8.370 nan 0.000 0.476 206 I N 0.424 121.111 120.570 0.195 0.000 2.493 206 I HA -0.198 3.976 4.170 0.007 0.000 0.254 206 I C 2.229 178.458 176.117 0.187 0.000 1.160 206 I CA 0.595 61.995 61.300 0.166 0.000 1.445 206 I CB -0.794 37.304 38.000 0.164 0.000 1.086 206 I HN 0.291 nan 8.210 nan 0.000 0.433 207 W N 1.944 123.288 121.300 0.073 0.000 2.381 207 W HA -0.168 4.496 4.660 0.007 0.000 0.301 207 W C 2.437 179.024 176.519 0.113 0.000 1.205 207 W CA 1.422 58.826 57.345 0.098 0.000 1.285 207 W CB -0.304 29.208 29.460 0.087 0.000 1.133 207 W HN 0.064 nan 8.180 nan 0.000 0.521 208 S N 1.069 116.974 115.700 0.341 0.000 2.370 208 S HA -0.203 4.271 4.470 0.007 0.000 0.226 208 S C 1.851 176.512 174.600 0.100 0.000 1.033 208 S CA 1.852 60.202 58.200 0.250 0.000 1.011 208 S CB -0.766 62.529 63.200 0.160 0.000 0.852 208 S HN 0.136 nan 8.310 nan 0.000 0.457 209 V N 1.662 121.596 119.914 0.033 0.000 2.407 209 V HA -0.119 4.005 4.120 0.007 0.000 0.248 209 V C 2.616 178.685 176.094 -0.041 0.000 1.055 209 V CA 1.804 64.092 62.300 -0.020 0.000 1.049 209 V CB -1.542 30.265 31.823 -0.027 0.000 0.662 209 V HN 0.585 nan 8.190 nan 0.000 0.455 210 G N -1.203 107.545 108.800 -0.086 0.000 2.422 210 G HA2 -0.247 3.717 3.960 0.007 0.000 0.218 210 G HA3 -0.247 3.717 3.960 0.007 0.000 0.218 210 G C 1.717 176.504 174.900 -0.188 0.000 1.146 210 G CA 1.259 46.260 45.100 -0.166 0.000 0.769 210 G HN 0.529 nan 8.290 nan 0.000 0.547 211 C N 0.301 119.510 119.300 -0.152 0.000 2.429 211 C HA 0.074 4.539 4.460 0.007 0.000 0.277 211 C C 2.834 177.840 174.990 0.027 0.000 1.262 211 C CA 0.380 59.348 59.018 -0.084 0.000 1.733 211 C CB -0.884 26.917 27.740 0.102 0.000 2.010 211 C HN 0.468 nan 8.230 nan 0.000 0.483 212 I N 0.428 121.054 120.570 0.092 0.000 2.202 212 I HA -0.273 3.901 4.170 0.007 0.000 0.242 212 I C 2.648 178.763 176.117 -0.004 0.000 1.091 212 I CA 1.760 63.105 61.300 0.074 0.000 1.368 212 I CB -0.522 37.476 38.000 -0.003 0.000 1.058 212 I HN 0.382 nan 8.210 nan 0.000 0.410 213 M N 0.987 120.558 119.600 -0.048 0.000 2.108 213 M HA -0.224 4.260 4.480 0.007 0.000 0.261 213 M C 2.409 178.618 176.300 -0.151 0.000 1.066 213 M CA 2.265 57.521 55.300 -0.073 0.000 1.107 213 M CB -0.154 32.394 32.600 -0.086 0.000 1.356 213 M HN 0.237 nan 8.290 nan 0.000 0.406 214 A N -0.103 122.581 122.820 -0.227 0.000 1.908 214 A HA -0.244 4.080 4.320 0.007 0.000 0.218 214 A C 1.985 179.501 177.584 -0.114 0.000 1.181 214 A CA 2.132 53.991 52.037 -0.297 0.000 0.627 214 A CB -0.944 17.908 19.000 -0.247 0.000 0.818 214 A HN 0.722 nan 8.150 nan 0.000 0.445 215 E N -0.438 119.722 120.200 -0.065 0.000 2.150 215 E HA -0.097 4.257 4.350 0.007 0.000 0.193 215 E C 1.903 178.503 176.600 -0.000 0.000 0.985 215 E CA 0.738 57.128 56.400 -0.015 0.000 0.814 215 E CB -0.145 29.582 29.700 0.046 0.000 0.752 215 E HN 0.662 nan 8.360 nan 0.000 0.466 216 L N 0.371 121.591 121.223 -0.005 0.000 2.093 216 L HA -0.159 4.185 4.340 0.007 0.000 0.208 216 L C 2.351 179.228 176.870 0.012 0.000 1.085 216 L CA 0.650 55.499 54.840 0.015 0.000 0.755 216 L CB -0.259 41.816 42.059 0.028 0.000 0.904 216 L HN 0.225 nan 8.230 nan 0.000 0.435 217 L N -0.603 120.609 121.223 -0.019 0.000 2.044 217 L HA -0.137 4.207 4.340 0.007 0.000 0.205 217 L C 2.770 179.652 176.870 0.020 0.000 1.075 217 L CA 1.892 56.724 54.840 -0.014 0.000 0.747 217 L CB -0.739 41.262 42.059 -0.097 0.000 0.903 217 L HN 0.396 nan 8.230 nan 0.000 0.435 218 T N -3.901 110.673 114.554 0.032 0.000 3.035 218 T HA 0.154 4.508 4.350 0.007 0.000 0.259 218 T C 1.509 176.216 174.700 0.011 0.000 1.078 218 T CA 0.644 62.768 62.100 0.040 0.000 1.132 218 T CB 0.444 69.347 68.868 0.058 0.000 0.900 218 T HN 0.467 nan 8.240 nan 0.000 0.480 219 G N 1.731 110.536 108.800 0.007 0.000 2.143 219 G HA2 -0.188 3.776 3.960 0.007 0.000 0.249 219 G HA3 -0.188 3.776 3.960 0.007 0.000 0.249 219 G C 0.022 174.920 174.900 -0.004 0.000 0.981 219 G CA -0.075 45.029 45.100 0.007 0.000 0.665 219 G HN 0.712 nan 8.290 nan 0.000 0.528 220 R N 0.188 120.673 120.500 -0.024 0.000 2.686 220 R HA 0.513 4.857 4.340 0.007 0.000 0.286 220 R C -0.182 176.056 176.300 -0.103 0.000 0.969 220 R CA -0.500 55.563 56.100 -0.060 0.000 0.898 220 R CB 1.005 31.256 30.300 -0.081 0.000 1.183 220 R HN 0.146 nan 8.270 nan 0.000 0.456 221 T N 2.921 117.386 114.554 -0.149 0.000 2.908 221 T HA -0.035 4.319 4.350 0.007 0.000 0.301 221 T C 1.601 176.094 174.700 -0.345 0.000 1.019 221 T CA -0.122 61.831 62.100 -0.245 0.000 1.152 221 T CB 0.489 69.097 68.868 -0.433 0.000 0.966 221 T HN 0.359 nan 8.240 nan 0.000 0.540 222 L N 2.906 123.876 121.223 -0.422 0.000 1.988 222 L HA 0.192 4.536 4.340 0.007 0.000 0.207 222 L C 0.561 176.961 176.870 -0.784 0.000 1.071 222 L CA 1.723 56.158 54.840 -0.675 0.000 0.744 222 L CB -0.235 41.270 42.059 -0.923 0.000 0.893 222 L HN 0.717 nan 8.230 nan 0.000 0.433 223 F N 0.914 120.721 119.950 -0.238 0.000 2.449 223 F HA 0.365 4.896 4.527 0.007 0.000 0.329 223 F C -1.986 173.552 175.800 -0.436 0.000 1.245 223 F CA -1.695 56.177 58.000 -0.212 0.000 1.193 223 F CB 0.375 39.350 39.000 -0.041 0.000 1.425 223 F HN 0.047 nan 8.300 nan 0.000 0.544 224 P HA 0.126 nan 4.420 nan 0.000 0.225 224 P C 0.565 177.617 177.300 -0.414 0.000 1.813 224 P CA 0.224 62.560 63.100 -1.273 0.000 1.013 224 P CB 0.291 31.299 31.700 -1.153 0.000 1.961 225 G N 1.084 109.837 108.800 -0.079 0.000 2.544 225 G HA2 0.217 4.181 3.960 0.007 0.000 0.242 225 G HA3 0.217 4.181 3.960 0.007 0.000 0.242 225 G C 1.109 176.262 174.900 0.423 0.000 1.247 225 G CA -0.192 45.018 45.100 0.184 0.000 0.840 225 G HN 0.309 nan 8.290 nan 0.000 0.578 226 T N -2.124 112.649 114.554 0.365 0.000 3.100 226 T HA 0.210 4.564 4.350 0.007 0.000 0.253 226 T C 0.355 175.225 174.700 0.282 0.000 1.118 226 T CA 0.730 63.082 62.100 0.420 0.000 1.058 226 T CB -0.272 68.720 68.868 0.206 0.000 0.953 226 T HN 0.770 nan 8.240 nan 0.000 0.515 227 D N -1.913 118.617 120.400 0.217 0.000 2.692 227 D HA 0.178 4.822 4.640 0.007 0.000 0.290 227 D C 0.473 176.861 176.300 0.147 0.000 1.281 227 D CA -0.928 53.181 54.000 0.183 0.000 0.804 227 D CB 0.127 41.029 40.800 0.171 0.000 1.331 227 D HN -0.038 nan 8.370 nan 0.000 0.432 228 H N -0.511 118.586 119.070 0.044 0.000 2.352 228 H HA -0.085 4.475 4.556 0.007 0.000 0.299 228 H C 1.438 176.773 175.328 0.012 0.000 1.097 228 H CA 1.360 57.412 56.048 0.007 0.000 1.311 228 H CB 0.128 29.867 29.762 -0.038 0.000 1.377 228 H HN 0.309 nan 8.280 nan 0.000 0.504 229 I N 0.956 121.621 120.570 0.159 0.000 2.233 229 I HA -0.194 3.980 4.170 0.007 0.000 0.243 229 I C 2.361 178.558 176.117 0.133 0.000 1.093 229 I CA 1.160 62.537 61.300 0.129 0.000 1.380 229 I CB -1.048 37.005 38.000 0.088 0.000 1.067 229 I HN 0.192 nan 8.210 nan 0.000 0.413 230 D N 0.590 121.061 120.400 0.120 0.000 2.123 230 D HA -0.276 4.368 4.640 0.007 0.000 0.196 230 D C 2.241 178.599 176.300 0.097 0.000 0.992 230 D CA 1.493 55.558 54.000 0.108 0.000 0.833 230 D CB -0.037 40.830 40.800 0.112 0.000 0.954 230 D HN 0.335 nan 8.370 nan 0.000 0.455 231 Q N -0.853 119.003 119.800 0.095 0.000 2.119 231 Q HA -0.125 4.219 4.340 0.007 0.000 0.201 231 Q C 2.166 178.162 176.000 -0.006 0.000 0.972 231 Q CA 0.876 56.719 55.803 0.067 0.000 0.847 231 Q CB -0.161 28.620 28.738 0.072 0.000 0.903 231 Q HN 0.378 nan 8.270 nan 0.000 0.433 232 L N 0.712 121.942 121.223 0.012 0.000 2.141 232 L HA -0.103 4.241 4.340 0.007 0.000 0.209 232 L C 1.831 178.722 176.870 0.036 0.000 1.094 232 L CA 1.689 56.529 54.840 -0.001 0.000 0.763 232 L CB -0.130 41.988 42.059 0.098 0.000 0.908 232 L HN -0.005 nan 8.230 nan 0.000 0.437 233 K N -0.691 119.752 120.400 0.072 0.000 2.057 233 K HA -0.059 4.265 4.320 0.007 0.000 0.206 233 K C 1.995 178.627 176.600 0.053 0.000 1.050 233 K CA 1.578 57.909 56.287 0.072 0.000 0.935 233 K CB -0.264 32.286 32.500 0.084 0.000 0.715 233 K HN 0.301 nan 8.250 nan 0.000 0.439 234 L N 0.334 121.591 121.223 0.056 0.000 2.046 234 L HA -0.190 4.154 4.340 0.007 0.000 0.208 234 L C 2.171 179.089 176.870 0.080 0.000 1.077 234 L CA 1.171 56.082 54.840 0.117 0.000 0.747 234 L CB -0.443 41.739 42.059 0.205 0.000 0.896 234 L HN 0.183 nan 8.230 nan 0.000 0.432 235 I N -0.200 120.228 120.570 -0.236 0.000 2.142 235 I HA -0.318 3.856 4.170 0.007 0.000 0.240 235 I C 2.362 178.458 176.117 -0.034 0.000 1.078 235 I CA 1.419 62.419 61.300 -0.501 0.000 1.343 235 I CB -0.297 37.391 38.000 -0.520 0.000 1.046 235 I HN 0.175 nan 8.210 nan 0.000 0.405 236 L N 0.164 121.399 121.223 0.019 0.000 2.265 236 L HA -0.165 4.179 4.340 0.007 0.000 0.215 236 L C 2.655 179.579 176.870 0.090 0.000 1.117 236 L CA 0.874 55.763 54.840 0.082 0.000 0.782 236 L CB -0.617 41.488 42.059 0.077 0.000 0.914 236 L HN 0.264 nan 8.230 nan 0.000 0.441 237 R N 0.395 120.944 120.500 0.083 0.000 2.148 237 R HA -0.128 4.216 4.340 0.007 0.000 0.223 237 R C 2.148 178.505 176.300 0.095 0.000 1.088 237 R CA 1.051 57.196 56.100 0.076 0.000 0.985 237 R CB 0.068 30.405 30.300 0.062 0.000 0.880 237 R HN 0.285 nan 8.270 nan 0.000 0.451 238 L N -0.373 120.937 121.223 0.145 0.000 2.253 238 L HA 0.067 4.411 4.340 0.007 0.000 0.205 238 L C 1.548 178.580 176.870 0.269 0.000 1.078 238 L CA 1.067 55.999 54.840 0.155 0.000 0.805 238 L CB 0.357 42.536 42.059 0.201 0.000 0.963 238 L HN -0.146 nan 8.230 nan 0.000 0.459 239 V N 0.032 120.118 119.914 0.285 0.000 3.644 239 V HA 0.520 4.644 4.120 0.007 0.000 0.267 239 V C 0.871 177.093 176.094 0.214 0.000 1.277 239 V CA 0.545 63.039 62.300 0.324 0.000 1.096 239 V CB -0.478 31.577 31.823 0.386 0.000 0.828 239 V HN 0.665 nan 8.190 nan 0.000 0.446 240 G N 0.843 109.739 108.800 0.160 0.000 2.699 240 G HA2 -0.117 3.847 3.960 0.007 0.000 0.686 240 G HA3 -0.117 3.847 3.960 0.007 0.000 0.686 240 G C -0.126 174.830 174.900 0.093 0.000 1.301 240 G CA -0.412 44.753 45.100 0.109 0.000 0.816 240 G HN 0.541 nan 8.290 nan 0.000 0.595 241 T N 0.032 114.619 114.554 0.055 0.000 2.882 241 T HA 0.661 5.015 4.350 0.007 0.000 0.287 241 T C -1.919 172.792 174.700 0.018 0.000 1.014 241 T CA -0.880 61.239 62.100 0.032 0.000 1.049 241 T CB 1.319 70.184 68.868 -0.004 0.000 1.001 241 T HN 0.543 nan 8.240 nan 0.000 0.525 242 P HA 0.321 nan 4.420 nan 0.000 0.267 242 P C 0.384 177.659 177.300 -0.042 0.000 1.201 242 P CA -0.062 63.013 63.100 -0.042 0.000 0.775 242 P CB 0.095 31.711 31.700 -0.141 0.000 0.854 243 G N 0.060 108.842 108.800 -0.030 0.000 2.552 243 G HA2 0.455 4.419 3.960 0.007 0.000 0.318 243 G HA3 0.455 4.419 3.960 0.007 0.000 0.318 243 G C 0.887 175.763 174.900 -0.041 0.000 1.240 243 G CA -0.153 44.931 45.100 -0.026 0.000 1.002 243 G HN 0.455 nan 8.290 nan 0.000 0.493 244 A N -0.862 121.938 122.820 -0.034 0.000 1.933 244 A HA -0.044 4.280 4.320 0.007 0.000 0.218 244 A C 1.974 179.537 177.584 -0.034 0.000 1.175 244 A CA 2.105 54.119 52.037 -0.038 0.000 0.628 244 A CB -0.541 18.442 19.000 -0.028 0.000 0.814 244 A HN 0.740 nan 8.150 nan 0.000 0.444 245 E N -0.515 119.673 120.200 -0.021 0.000 2.058 245 E HA -0.182 4.172 4.350 0.007 0.000 0.194 245 E C 1.975 178.563 176.600 -0.019 0.000 0.997 245 E CA 1.174 57.566 56.400 -0.014 0.000 0.801 245 E CB -0.167 29.532 29.700 -0.001 0.000 0.746 245 E HN 0.620 nan 8.360 nan 0.000 0.450 246 L N 0.680 121.888 121.223 -0.026 0.000 2.072 246 L HA -0.131 4.213 4.340 0.007 0.000 0.205 246 L C 2.463 179.281 176.870 -0.086 0.000 1.079 246 L CA 0.728 55.546 54.840 -0.037 0.000 0.752 246 L CB -0.202 41.839 42.059 -0.030 0.000 0.906 246 L HN 0.279 nan 8.230 nan 0.000 0.436 247 L N 0.530 121.686 121.223 -0.112 0.000 2.129 247 L HA -0.272 4.072 4.340 0.007 0.000 0.212 247 L C 2.632 179.434 176.870 -0.114 0.000 1.087 247 L CA 1.782 56.532 54.840 -0.151 0.000 0.757 247 L CB -0.414 41.567 42.059 -0.130 0.000 0.896 247 L HN 0.419 nan 8.230 nan 0.000 0.434 248 K N -0.204 120.153 120.400 -0.072 0.000 2.486 248 K HA -0.101 4.223 4.320 0.007 0.000 0.194 248 K C 1.280 177.857 176.600 -0.039 0.000 1.033 248 K CA 0.717 56.974 56.287 -0.051 0.000 1.004 248 K CB -0.007 32.473 32.500 -0.034 0.000 0.798 248 K HN 0.320 nan 8.250 nan 0.000 0.495 249 K N 0.959 121.336 120.400 -0.040 0.000 2.404 249 K HA 0.218 4.542 4.320 0.007 0.000 0.194 249 K C 0.246 176.843 176.600 -0.005 0.000 1.023 249 K CA 0.076 56.355 56.287 -0.012 0.000 1.094 249 K CB 0.320 32.824 32.500 0.007 0.000 0.841 249 K HN 0.162 nan 8.250 nan 0.000 0.523 250 I N 2.149 122.686 120.570 -0.055 0.000 2.304 250 I HA -0.027 4.147 4.170 0.007 0.000 0.291 250 I C 1.282 177.382 176.117 -0.027 0.000 1.018 250 I CA -0.276 60.988 61.300 -0.060 0.000 1.260 250 I CB 1.664 39.513 38.000 -0.252 0.000 1.390 250 I HN 0.055 nan 8.210 nan 0.000 0.475 251 S N 3.133 118.853 115.700 0.034 0.000 2.338 251 S HA -0.137 4.337 4.470 0.007 0.000 0.218 251 S C 1.235 175.849 174.600 0.024 0.000 1.032 251 S CA 0.323 58.544 58.200 0.036 0.000 0.999 251 S CB -0.318 62.929 63.200 0.079 0.000 0.905 251 S HN 0.683 nan 8.310 nan 0.000 0.439 252 S N 2.018 117.744 115.700 0.044 0.000 2.673 252 S HA -0.079 4.395 4.470 0.007 0.000 0.308 252 S C 1.007 175.612 174.600 0.008 0.000 1.246 252 S CA -0.164 58.059 58.200 0.038 0.000 1.077 252 S CB 0.138 63.384 63.200 0.076 0.000 0.814 252 S HN 0.518 nan 8.310 nan 0.000 0.503 253 E N 3.493 123.698 120.200 0.008 0.000 2.208 253 E HA -0.093 4.261 4.350 0.007 0.000 0.193 253 E C 1.844 178.449 176.600 0.008 0.000 0.988 253 E CA 0.912 57.310 56.400 -0.003 0.000 0.828 253 E CB -0.161 29.539 29.700 0.000 0.000 0.763 253 E HN 0.758 nan 8.360 nan 0.000 0.478 254 S N -0.246 115.470 115.700 0.026 0.000 2.357 254 S HA -0.084 4.390 4.470 0.007 0.000 0.221 254 S C 1.979 176.629 174.600 0.083 0.000 1.031 254 S CA 1.049 59.278 58.200 0.049 0.000 0.982 254 S CB -0.134 63.091 63.200 0.043 0.000 0.853 254 S HN 0.418 nan 8.310 nan 0.000 0.458 255 A N 2.096 124.963 122.820 0.077 0.000 1.865 255 A HA -0.149 4.175 4.320 0.007 0.000 0.217 255 A C 2.210 179.773 177.584 -0.035 0.000 1.191 255 A CA 1.629 53.719 52.037 0.088 0.000 0.623 255 A CB -0.727 18.294 19.000 0.036 0.000 0.826 255 A HN 0.580 nan 8.150 nan 0.000 0.444 256 R N -0.698 119.737 120.500 -0.108 0.000 2.091 256 R HA -0.171 4.173 4.340 0.007 0.000 0.238 256 R C 2.124 178.380 176.300 -0.074 0.000 1.136 256 R CA 1.800 57.816 56.100 -0.140 0.000 0.959 256 R CB -0.550 29.683 30.300 -0.111 0.000 0.856 256 R HN 0.698 nan 8.270 nan 0.000 0.437 257 N N -0.471 118.221 118.700 -0.013 0.000 2.120 257 N HA -0.214 4.530 4.740 0.007 0.000 0.188 257 N C 1.619 177.156 175.510 0.045 0.000 1.024 257 N CA 1.154 54.211 53.050 0.012 0.000 0.852 257 N CB -0.143 38.364 38.487 0.035 0.000 1.003 257 N HN 0.193 nan 8.380 nan 0.000 0.424 258 Y N 1.552 121.840 120.300 -0.020 0.000 2.109 258 Y HA -0.089 4.465 4.550 0.007 0.000 0.285 258 Y C 1.937 177.835 175.900 -0.004 0.000 1.131 258 Y CA 1.257 59.361 58.100 0.006 0.000 1.121 258 Y CB -0.626 37.861 38.460 0.046 0.000 0.987 258 Y HN 0.006 nan 8.280 nan 0.000 0.495 259 I N 0.629 121.076 120.570 -0.206 0.000 2.145 259 I HA -0.434 3.740 4.170 0.007 0.000 0.244 259 I C 2.354 178.310 176.117 -0.269 0.000 1.075 259 I CA 2.024 63.143 61.300 -0.302 0.000 1.332 259 I CB -0.508 37.337 38.000 -0.258 0.000 1.033 259 I HN 0.402 nan 8.210 nan 0.000 0.410 260 Q N -0.119 119.570 119.800 -0.185 0.000 2.437 260 Q HA -0.132 4.212 4.340 0.007 0.000 0.210 260 Q C 2.169 178.090 176.000 -0.131 0.000 0.972 260 Q CA 1.520 57.242 55.803 -0.135 0.000 0.903 260 Q CB -0.162 28.520 28.738 -0.093 0.000 0.967 260 Q HN 0.639 nan 8.270 nan 0.000 0.486 261 S N -0.292 115.303 115.700 -0.176 0.000 2.562 261 S HA 0.058 4.532 4.470 0.007 0.000 0.221 261 S C 0.776 175.277 174.600 -0.165 0.000 0.975 261 S CA -0.145 57.972 58.200 -0.139 0.000 0.918 261 S CB -0.099 63.037 63.200 -0.107 0.000 0.772 261 S HN 0.146 nan 8.310 nan 0.000 0.531 262 L N 2.386 123.473 121.223 -0.225 0.000 2.312 262 L HA 0.358 4.702 4.340 0.007 0.000 0.281 262 L C 0.076 176.887 176.870 -0.098 0.000 1.070 262 L CA -0.639 54.096 54.840 -0.174 0.000 0.805 262 L CB 0.988 42.915 42.059 -0.219 0.000 1.174 262 L HN -0.014 nan 8.230 nan 0.000 0.434 263 T N 2.550 117.067 114.554 -0.061 0.000 2.817 263 T HA 0.046 4.400 4.350 0.007 0.000 0.295 263 T C 0.227 174.909 174.700 -0.031 0.000 0.958 263 T CA -0.189 61.888 62.100 -0.038 0.000 1.157 263 T CB 0.183 69.038 68.868 -0.021 0.000 0.898 263 T HN 0.497 nan 8.240 nan 0.000 0.536 264 Q N 2.689 122.471 119.800 -0.029 0.000 2.386 264 Q HA 0.284 4.629 4.340 0.007 0.000 0.282 264 Q C -0.172 175.826 176.000 -0.004 0.000 1.050 264 Q CA 0.600 56.391 55.803 -0.019 0.000 0.918 264 Q CB 0.388 29.115 28.738 -0.018 0.000 1.266 264 Q HN 0.593 nan 8.270 nan 0.000 0.423 265 M N 3.128 122.733 119.600 0.008 0.000 2.433 265 M HA 0.443 4.928 4.480 0.007 0.000 0.290 265 M C -2.431 173.890 176.300 0.035 0.000 1.173 265 M CA -2.059 53.254 55.300 0.022 0.000 0.905 265 M CB 2.439 35.056 32.600 0.029 0.000 1.692 265 M HN 0.451 nan 8.290 nan 0.000 0.462 266 P HA 0.180 nan 4.420 nan 0.000 0.279 266 P C -1.325 176.019 177.300 0.073 0.000 1.252 266 P CA -0.499 62.630 63.100 0.047 0.000 0.811 266 P CB 0.830 32.553 31.700 0.037 0.000 1.035 267 K N 2.756 123.209 120.400 0.088 0.000 2.412 267 K HA 0.121 4.446 4.320 0.007 0.000 0.281 267 K C 0.340 177.030 176.600 0.150 0.000 1.027 267 K CA 0.034 56.404 56.287 0.139 0.000 0.989 267 K CB 0.111 32.682 32.500 0.118 0.000 0.935 267 K HN 0.479 nan 8.250 nan 0.000 0.475 268 M N 2.531 122.253 119.600 0.203 0.000 2.198 268 M HA 0.003 4.487 4.480 0.007 0.000 0.315 268 M C 0.801 177.255 176.300 0.257 0.000 1.134 268 M CA -0.140 55.258 55.300 0.164 0.000 1.171 268 M CB 0.295 32.945 32.600 0.084 0.000 1.413 268 M HN 0.540 nan 8.290 nan 0.000 0.467 269 N N 1.091 119.892 118.700 0.168 0.000 2.402 269 N HA 0.047 4.791 4.740 0.007 0.000 0.252 269 N C 0.038 175.705 175.510 0.262 0.000 1.118 269 N CA 0.121 53.282 53.050 0.185 0.000 0.945 269 N CB 0.371 38.910 38.487 0.087 0.000 1.147 269 N HN 0.426 nan 8.380 nan 0.000 0.495 270 F N 2.387 122.351 119.950 0.023 0.000 2.269 270 F HA -0.061 4.471 4.527 0.007 0.000 0.301 270 F C 2.264 178.110 175.800 0.076 0.000 1.082 270 F CA 0.698 58.737 58.000 0.065 0.000 1.360 270 F CB -0.745 38.373 39.000 0.197 0.000 1.041 270 F HN 0.653 nan 8.300 nan 0.000 0.512 271 A N -0.361 122.597 122.820 0.229 0.000 2.119 271 A HA -0.147 4.177 4.320 0.007 0.000 0.217 271 A C 1.793 179.408 177.584 0.052 0.000 1.153 271 A CA 1.520 53.638 52.037 0.135 0.000 0.692 271 A CB -0.855 18.202 19.000 0.096 0.000 0.799 271 A HN 0.496 nan 8.150 nan 0.000 0.458 272 N N -1.224 117.480 118.700 0.006 0.000 2.236 272 N HA 0.130 4.874 4.740 0.007 0.000 0.196 272 N C 0.965 176.384 175.510 -0.153 0.000 1.114 272 N CA 0.305 53.324 53.050 -0.050 0.000 0.859 272 N CB 0.666 39.134 38.487 -0.032 0.000 0.982 272 N HN 0.254 nan 8.380 nan 0.000 0.493 273 V N -0.191 119.551 119.914 -0.286 0.000 2.581 273 V HA 0.094 4.219 4.120 0.007 0.000 0.240 273 V C 0.117 175.802 176.094 -0.682 0.000 1.054 273 V CA 0.918 62.850 62.300 -0.612 0.000 1.076 273 V CB -0.073 31.116 31.823 -1.057 0.000 0.748 273 V HN 0.121 nan 8.190 nan 0.000 0.474 274 F N 1.076 120.960 119.950 -0.110 0.000 2.508 274 F HA 0.485 5.016 4.527 0.007 0.000 0.329 274 F C 0.231 176.001 175.800 -0.050 0.000 1.198 274 F CA -0.546 57.400 58.000 -0.090 0.000 1.268 274 F CB -0.522 38.423 39.000 -0.092 0.000 1.584 274 F HN -0.017 nan 8.300 nan 0.000 0.570 275 I N 1.601 122.190 120.570 0.031 0.000 2.775 275 I HA 0.130 4.304 4.170 0.007 0.000 0.290 275 I C 1.412 177.556 176.117 0.045 0.000 1.203 275 I CA 0.720 62.035 61.300 0.025 0.000 1.433 275 I CB 0.005 37.998 38.000 -0.011 0.000 1.354 275 I HN 0.732 nan 8.210 nan 0.000 0.579 276 G N 4.123 112.947 108.800 0.041 0.000 2.198 276 G HA2 -0.091 3.873 3.960 0.007 0.000 0.260 276 G HA3 -0.091 3.873 3.960 0.007 0.000 0.260 276 G C 0.124 175.052 174.900 0.046 0.000 1.025 276 G CA 0.117 45.239 45.100 0.037 0.000 0.769 276 G HN 1.064 nan 8.290 nan 0.000 0.507 277 A N -0.563 122.292 122.820 0.060 0.000 2.320 277 A HA 0.738 5.063 4.320 0.007 0.000 0.334 277 A C 0.415 178.019 177.584 0.032 0.000 1.147 277 A CA -0.172 51.893 52.037 0.047 0.000 0.820 277 A CB 0.773 19.803 19.000 0.049 0.000 1.218 277 A HN 0.760 nan 8.150 nan 0.000 0.482 278 N N 1.618 120.335 118.700 0.028 0.000 2.365 278 N HA 0.036 4.780 4.740 0.007 0.000 0.265 278 N C -1.782 173.721 175.510 -0.011 0.000 1.288 278 N CA -1.286 51.786 53.050 0.038 0.000 0.869 278 N CB 0.707 39.264 38.487 0.116 0.000 1.071 278 N HN 0.195 nan 8.380 nan 0.000 0.480 279 P HA -0.160 nan 4.420 nan 0.000 0.218 279 P C 1.261 178.551 177.300 -0.017 0.000 1.146 279 P CA 0.701 63.806 63.100 0.008 0.000 0.820 279 P CB 0.299 32.012 31.700 0.022 0.000 0.778 280 L N -1.172 120.044 121.223 -0.012 0.000 2.179 280 L HA 0.025 4.369 4.340 0.007 0.000 0.208 280 L C 2.335 179.027 176.870 -0.297 0.000 1.096 280 L CA 1.468 56.313 54.840 0.009 0.000 0.779 280 L CB -1.919 40.238 42.059 0.163 0.000 0.922 280 L HN -0.092 nan 8.230 nan 0.000 0.443 281 A N -1.050 121.419 122.820 -0.585 0.000 1.872 281 A HA -0.102 4.223 4.320 0.007 0.000 0.214 281 A C 2.343 179.625 177.584 -0.503 0.000 1.187 281 A CA 1.610 53.058 52.037 -0.982 0.000 0.614 281 A CB -0.750 17.796 19.000 -0.756 0.000 0.826 281 A HN 0.176 nan 8.150 nan 0.000 0.442 282 V N 0.612 120.373 119.914 -0.254 0.000 2.295 282 V HA -0.295 3.829 4.120 0.007 0.000 0.246 282 V C 2.298 178.351 176.094 -0.068 0.000 1.049 282 V CA 2.542 64.801 62.300 -0.069 0.000 1.024 282 V CB -0.936 30.930 31.823 0.072 0.000 0.648 282 V HN 0.756 nan 8.190 nan 0.000 0.447 283 D N -0.425 119.922 120.400 -0.089 0.000 2.144 283 D HA -0.199 4.446 4.640 0.007 0.000 0.199 283 D C 1.946 178.148 176.300 -0.164 0.000 0.984 283 D CA 1.053 55.017 54.000 -0.060 0.000 0.834 283 D CB -0.057 40.781 40.800 0.064 0.000 0.955 283 D HN 0.288 nan 8.370 nan 0.000 0.465 284 L N 0.177 121.185 121.223 -0.358 0.000 2.093 284 L HA 0.018 4.362 4.340 0.007 0.000 0.208 284 L C 1.948 178.646 176.870 -0.286 0.000 1.085 284 L CA 1.323 55.848 54.840 -0.526 0.000 0.755 284 L CB -0.412 41.218 42.059 -0.715 0.000 0.904 284 L HN 0.222 nan 8.230 nan 0.000 0.435 285 L N -0.925 120.161 121.223 -0.229 0.000 2.093 285 L HA -0.204 4.140 4.340 0.007 0.000 0.208 285 L C 2.428 179.306 176.870 0.014 0.000 1.085 285 L CA 1.322 56.108 54.840 -0.090 0.000 0.755 285 L CB -0.517 41.480 42.059 -0.104 0.000 0.904 285 L HN 0.350 nan 8.230 nan 0.000 0.435 286 E N 0.122 120.223 120.200 -0.165 0.000 2.204 286 E HA -0.227 4.127 4.350 0.007 0.000 0.195 286 E C 2.008 178.460 176.600 -0.246 0.000 0.990 286 E CA 1.107 57.192 56.400 -0.525 0.000 0.821 286 E CB 0.172 29.549 29.700 -0.537 0.000 0.750 286 E HN 0.365 nan 8.360 nan 0.000 0.477 287 K N -0.656 119.657 120.400 -0.145 0.000 2.314 287 K HA 0.102 4.427 4.320 0.007 0.000 0.198 287 K C 1.846 178.435 176.600 -0.018 0.000 1.045 287 K CA 0.486 56.732 56.287 -0.069 0.000 0.988 287 K CB 0.280 32.743 32.500 -0.062 0.000 0.783 287 K HN 0.070 nan 8.250 nan 0.000 0.484 288 M N -0.090 119.489 119.600 -0.035 0.000 2.325 288 M HA 0.009 4.493 4.480 0.007 0.000 0.265 288 M C 0.025 176.338 176.300 0.022 0.000 1.094 288 M CA 0.721 56.021 55.300 -0.000 0.000 1.161 288 M CB 0.264 32.836 32.600 -0.048 0.000 1.358 288 M HN -0.037 nan 8.290 nan 0.000 0.446 289 L N 1.696 122.902 121.223 -0.029 0.000 2.583 289 L HA 0.201 4.545 4.340 0.007 0.000 0.239 289 L C -0.501 176.489 176.870 0.201 0.000 1.347 289 L CA -0.036 54.741 54.840 -0.105 0.000 1.246 289 L CB -0.931 41.076 42.059 -0.086 0.000 1.496 289 L HN -0.099 nan 8.230 nan 0.000 0.413 290 V N 1.063 121.163 119.914 0.310 0.000 2.394 290 V HA 0.133 4.257 4.120 0.007 0.000 0.282 290 V C 1.278 177.633 176.094 0.436 0.000 1.031 290 V CA -0.591 61.888 62.300 0.298 0.000 0.881 290 V CB 2.114 34.042 31.823 0.175 0.000 0.982 290 V HN 0.368 nan 8.190 nan 0.000 0.451 291 L N 3.180 124.624 121.223 0.369 0.000 2.013 291 L HA -0.057 4.287 4.340 0.007 0.000 0.212 291 L C 1.321 178.306 176.870 0.192 0.000 1.073 291 L CA 1.808 56.816 54.840 0.281 0.000 0.753 291 L CB -0.423 41.767 42.059 0.217 0.000 0.890 291 L HN 0.765 nan 8.230 nan 0.000 0.432 292 D N -1.052 119.446 120.400 0.164 0.000 2.359 292 D HA 0.001 4.645 4.640 0.007 0.000 0.250 292 D C 1.501 177.882 176.300 0.134 0.000 1.264 292 D CA 0.729 54.804 54.000 0.126 0.000 0.911 292 D CB 0.936 41.791 40.800 0.092 0.000 1.056 292 D HN 0.400 nan 8.370 nan 0.000 0.499 293 S N 2.687 118.464 115.700 0.130 0.000 2.440 293 S HA -0.229 4.245 4.470 0.007 0.000 0.240 293 S C 1.240 175.904 174.600 0.108 0.000 1.014 293 S CA 0.896 59.172 58.200 0.128 0.000 0.980 293 S CB 0.065 63.330 63.200 0.109 0.000 0.775 293 S HN 0.394 nan 8.310 nan 0.000 0.499 294 D N 1.619 122.073 120.400 0.091 0.000 2.269 294 D HA 0.052 4.696 4.640 0.007 0.000 0.208 294 D C 1.570 177.914 176.300 0.073 0.000 0.963 294 D CA 0.879 54.923 54.000 0.073 0.000 0.864 294 D CB -0.042 40.794 40.800 0.059 0.000 0.936 294 D HN 0.571 nan 8.370 nan 0.000 0.505 295 K N 0.162 120.612 120.400 0.083 0.000 2.373 295 K HA 0.164 4.488 4.320 0.007 0.000 0.202 295 K C 0.637 177.289 176.600 0.087 0.000 1.025 295 K CA -0.312 56.020 56.287 0.076 0.000 1.115 295 K CB 1.336 33.877 32.500 0.069 0.000 0.858 295 K HN -0.036 nan 8.250 nan 0.000 0.525 296 R N 1.422 121.988 120.500 0.109 0.000 2.641 296 R HA 0.223 4.567 4.340 0.007 0.000 0.269 296 R C 0.241 176.600 176.300 0.097 0.000 1.074 296 R CA -0.197 55.977 56.100 0.122 0.000 1.133 296 R CB 0.572 30.971 30.300 0.165 0.000 1.029 296 R HN 0.076 nan 8.270 nan 0.000 0.488 297 I N 1.539 122.161 120.570 0.087 0.000 2.779 297 I HA 0.002 4.176 4.170 0.007 0.000 0.285 297 I C 0.352 176.526 176.117 0.096 0.000 1.134 297 I CA 0.308 61.656 61.300 0.080 0.000 1.398 297 I CB 0.947 38.983 38.000 0.061 0.000 1.404 297 I HN 0.712 nan 8.210 nan 0.000 0.587 298 T N 3.590 118.203 114.554 0.099 0.000 2.934 298 T HA 0.515 4.869 4.350 0.007 0.000 0.283 298 T C 0.984 175.752 174.700 0.114 0.000 1.005 298 T CA -0.230 61.939 62.100 0.115 0.000 1.041 298 T CB 1.695 70.629 68.868 0.110 0.000 1.042 298 T HN 0.715 nan 8.240 nan 0.000 0.505 299 A N 1.761 124.658 122.820 0.128 0.000 1.873 299 A HA 0.029 4.353 4.320 0.007 0.000 0.218 299 A C 2.638 180.257 177.584 0.058 0.000 1.193 299 A CA 2.276 54.351 52.037 0.063 0.000 0.629 299 A CB -1.635 17.368 19.000 0.004 0.000 0.826 299 A HN 1.377 nan 8.150 nan 0.000 0.447 300 A N -1.437 121.430 122.820 0.079 0.000 2.024 300 A HA -0.223 4.101 4.320 0.007 0.000 0.220 300 A C 2.116 179.759 177.584 0.098 0.000 1.164 300 A CA 1.813 53.904 52.037 0.090 0.000 0.643 300 A CB -0.461 18.598 19.000 0.098 0.000 0.806 300 A HN 0.713 nan 8.150 nan 0.000 0.451 301 Q N -1.264 118.595 119.800 0.099 0.000 2.123 301 Q HA 0.076 4.421 4.340 0.007 0.000 0.196 301 Q C 2.502 178.580 176.000 0.131 0.000 0.958 301 Q CA 0.817 56.683 55.803 0.104 0.000 0.841 301 Q CB -0.254 28.545 28.738 0.101 0.000 0.915 301 Q HN 0.665 nan 8.270 nan 0.000 0.455 302 A N 1.217 124.123 122.820 0.143 0.000 1.892 302 A HA -0.212 4.112 4.320 0.007 0.000 0.218 302 A C 2.058 179.847 177.584 0.341 0.000 1.188 302 A CA 1.281 53.449 52.037 0.218 0.000 0.631 302 A CB -0.905 18.210 19.000 0.192 0.000 0.822 302 A HN 0.318 nan 8.150 nan 0.000 0.447 303 L N -0.872 120.470 121.223 0.199 0.000 2.081 303 L HA -0.253 4.091 4.340 0.007 0.000 0.212 303 L C 2.915 179.689 176.870 -0.160 0.000 1.080 303 L CA 1.208 56.140 54.840 0.154 0.000 0.754 303 L CB -0.457 41.663 42.059 0.101 0.000 0.893 303 L HN 0.455 nan 8.230 nan 0.000 0.433 304 A N -2.182 120.512 122.820 -0.211 0.000 2.168 304 A HA -0.117 4.208 4.320 0.007 0.000 0.215 304 A C 1.128 178.682 177.584 -0.049 0.000 1.152 304 A CA 0.161 52.000 52.037 -0.330 0.000 0.716 304 A CB -0.738 18.230 19.000 -0.054 0.000 0.794 304 A HN 0.368 nan 8.150 nan 0.000 0.465 305 H N -0.050 119.030 119.070 0.016 0.000 2.897 305 H HA 0.235 4.795 4.556 0.007 0.000 0.347 305 H C 1.409 176.750 175.328 0.022 0.000 1.068 305 H CA 0.460 56.526 56.048 0.030 0.000 1.426 305 H CB 0.993 30.776 29.762 0.036 0.000 1.410 305 H HN 0.178 nan 8.280 nan 0.000 0.597 306 A N 5.047 127.692 122.820 -0.291 0.000 2.234 306 A HA -0.228 4.096 4.320 0.007 0.000 0.216 306 A C 1.791 179.399 177.584 0.040 0.000 1.167 306 A CA 0.937 52.908 52.037 -0.109 0.000 0.698 306 A CB -0.726 18.168 19.000 -0.178 0.000 0.779 306 A HN 0.821 nan 8.150 nan 0.000 0.475 307 Y N -0.635 119.648 120.300 -0.029 0.000 2.314 307 Y HA -0.006 4.548 4.550 0.007 0.000 0.293 307 Y C 0.821 176.580 175.900 -0.234 0.000 1.129 307 Y CA 0.679 58.652 58.100 -0.212 0.000 1.201 307 Y CB -0.223 37.956 38.460 -0.467 0.000 0.999 307 Y HN 0.327 nan 8.280 nan 0.000 0.541 308 F N -0.753 119.294 119.950 0.161 0.000 2.819 308 F HA 0.380 4.911 4.527 0.007 0.000 0.294 308 F C 1.834 177.704 175.800 0.117 0.000 1.166 308 F CA 0.011 58.086 58.000 0.125 0.000 1.374 308 F CB -0.329 38.837 39.000 0.276 0.000 0.956 308 F HN 0.049 nan 8.300 nan 0.000 0.509 309 A N 0.057 122.973 122.820 0.159 0.000 1.908 309 A HA -0.278 4.046 4.320 0.007 0.000 0.218 309 A C 2.163 179.751 177.584 0.007 0.000 1.181 309 A CA 1.713 53.810 52.037 0.100 0.000 0.627 309 A CB -0.425 18.595 19.000 0.033 0.000 0.818 309 A HN 0.376 nan 8.150 nan 0.000 0.445 310 Q N -1.987 117.742 119.800 -0.119 0.000 2.291 310 Q HA -0.119 4.225 4.340 0.007 0.000 0.206 310 Q C 0.973 176.597 176.000 -0.626 0.000 0.976 310 Q CA 1.736 57.283 55.803 -0.427 0.000 0.875 310 Q CB -0.241 28.086 28.738 -0.686 0.000 0.927 310 Q HN 0.894 nan 8.270 nan 0.000 0.450 311 Y N -2.996 117.202 120.300 -0.171 0.000 2.430 311 Y HA 0.188 4.742 4.550 0.007 0.000 0.254 311 Y C 0.425 176.103 175.900 -0.371 0.000 1.088 311 Y CA -0.498 57.360 58.100 -0.404 0.000 1.267 311 Y CB 0.143 38.099 38.460 -0.840 0.000 1.204 311 Y HN 0.035 nan 8.280 nan 0.000 0.515 312 H N 2.350 121.394 119.070 -0.043 0.000 3.091 312 H HA 0.042 4.602 4.556 0.007 0.000 0.289 312 H C -0.949 174.454 175.328 0.126 0.000 0.995 312 H CA 0.587 56.730 56.048 0.158 0.000 1.461 312 H CB 0.487 30.399 29.762 0.249 0.000 1.510 312 H HN 0.154 nan 8.280 nan 0.000 0.546 313 D N 8.214 128.482 120.400 -0.220 0.000 2.402 313 D HA 0.150 4.794 4.640 0.007 0.000 0.252 313 D C -1.780 174.360 176.300 -0.265 0.000 1.294 313 D CA -2.212 51.641 54.000 -0.245 0.000 0.948 313 D CB 1.807 42.577 40.800 -0.051 0.000 1.202 313 D HN 0.307 nan 8.370 nan 0.000 0.561 314 P HA -0.133 nan 4.420 nan 0.000 0.216 314 P C 0.474 177.766 177.300 -0.012 0.000 1.150 314 P CA 1.022 64.049 63.100 -0.122 0.000 0.843 314 P CB 0.520 32.187 31.700 -0.055 0.000 0.787 315 D N -0.861 119.525 120.400 -0.023 0.000 2.363 315 D HA -0.059 4.585 4.640 0.007 0.000 0.220 315 D C 0.508 176.818 176.300 0.018 0.000 0.994 315 D CA 0.858 54.862 54.000 0.007 0.000 0.890 315 D CB -0.229 40.571 40.800 0.000 0.000 0.906 315 D HN 0.223 nan 8.370 nan 0.000 0.530 316 D N 0.525 120.939 120.400 0.022 0.000 2.891 316 D HA 0.090 4.734 4.640 0.007 0.000 0.312 316 D C -0.699 175.646 176.300 0.075 0.000 1.354 316 D CA -0.160 53.863 54.000 0.038 0.000 0.838 316 D CB -0.037 40.786 40.800 0.038 0.000 1.117 316 D HN -0.118 nan 8.370 nan 0.000 0.473 317 E N 1.308 121.563 120.200 0.093 0.000 3.626 317 E HA 0.204 4.558 4.350 0.007 0.000 0.245 317 E C -2.401 174.293 176.600 0.158 0.000 1.236 317 E CA -1.547 54.934 56.400 0.135 0.000 1.072 317 E CB 1.390 31.186 29.700 0.160 0.000 1.309 317 E HN 0.224 nan 8.360 nan 0.000 0.400 318 P HA -0.041 nan 4.420 nan 0.000 0.269 318 P C -0.013 177.480 177.300 0.321 0.000 1.217 318 P CA -0.074 63.150 63.100 0.205 0.000 0.783 318 P CB 0.835 32.630 31.700 0.158 0.000 0.898 319 V N -2.137 117.922 119.914 0.240 0.000 3.096 319 V HA 0.885 5.009 4.120 0.007 0.000 0.319 319 V C -0.008 176.127 176.094 0.070 0.000 1.103 319 V CA -1.294 61.089 62.300 0.138 0.000 1.016 319 V CB 1.007 32.871 31.823 0.069 0.000 1.090 319 V HN 0.740 nan 8.190 nan 0.000 0.449 320 A N 0.392 123.044 122.820 -0.280 0.000 2.269 320 A HA 0.652 4.976 4.320 0.007 0.000 0.319 320 A C -0.211 177.355 177.584 -0.030 0.000 1.110 320 A CA -0.557 51.278 52.037 -0.336 0.000 0.847 320 A CB 0.242 18.739 19.000 -0.838 0.000 1.161 320 A HN 0.940 nan 8.150 nan 0.000 0.497 321 D N 0.888 121.312 120.400 0.041 0.000 2.368 321 D HA 0.346 4.990 4.640 0.007 0.000 0.240 321 D C -2.276 174.188 176.300 0.273 0.000 1.169 321 D CA -0.660 53.423 54.000 0.139 0.000 0.906 321 D CB -0.017 40.862 40.800 0.132 0.000 1.187 321 D HN 0.191 nan 8.370 nan 0.000 0.435 322 P HA -0.017 nan 4.420 nan 0.000 0.266 322 P C -0.859 176.570 177.300 0.215 0.000 1.195 322 P CA 0.228 63.432 63.100 0.174 0.000 0.768 322 P CB 0.131 31.899 31.700 0.114 0.000 0.838 323 Y N 2.614 122.873 120.300 -0.067 0.000 2.345 323 Y HA 0.218 4.772 4.550 0.007 0.000 0.331 323 Y C -0.166 175.672 175.900 -0.103 0.000 0.959 323 Y CA -0.912 57.012 58.100 -0.293 0.000 1.204 323 Y CB 0.730 38.916 38.460 -0.456 0.000 1.135 323 Y HN 0.304 nan 8.280 nan 0.000 0.477 324 D N 6.315 126.466 120.400 -0.415 0.000 2.374 324 D HA 0.042 4.686 4.640 0.007 0.000 0.240 324 D C -0.437 175.632 176.300 -0.386 0.000 1.229 324 D CA 0.086 53.915 54.000 -0.285 0.000 0.895 324 D CB 0.846 41.584 40.800 -0.103 0.000 1.046 324 D HN 0.840 nan 8.370 nan 0.000 0.498 325 Q N 1.820 121.449 119.800 -0.284 0.000 2.186 325 Q HA 0.080 4.424 4.340 0.007 0.000 0.241 325 Q C 1.436 177.309 176.000 -0.213 0.000 0.849 325 Q CA -0.350 55.354 55.803 -0.164 0.000 1.053 325 Q CB 0.429 29.052 28.738 -0.192 0.000 1.146 325 Q HN 0.373 nan 8.270 nan 0.000 0.475 326 S N 0.922 116.618 115.700 -0.007 0.000 2.419 326 S HA -0.234 4.240 4.470 0.007 0.000 0.235 326 S C 1.737 176.356 174.600 0.033 0.000 1.019 326 S CA 1.107 59.308 58.200 0.001 0.000 0.982 326 S CB -0.916 62.313 63.200 0.048 0.000 0.789 326 S HN 0.660 nan 8.310 nan 0.000 0.490 327 F N 2.145 122.173 119.950 0.129 0.000 2.307 327 F HA 0.095 4.626 4.527 0.007 0.000 0.301 327 F C 2.010 178.021 175.800 0.351 0.000 1.076 327 F CA 0.919 59.078 58.000 0.265 0.000 1.383 327 F CB -0.665 38.616 39.000 0.469 0.000 1.055 327 F HN 0.040 nan 8.300 nan 0.000 0.526 328 E N 1.046 120.849 120.200 -0.662 0.000 2.209 328 E HA -0.139 4.215 4.350 0.007 0.000 0.196 328 E C 2.166 178.732 176.600 -0.056 0.000 0.993 328 E CA 1.386 57.534 56.400 -0.419 0.000 0.819 328 E CB -0.401 29.029 29.700 -0.451 0.000 0.745 328 E HN 0.544 nan 8.360 nan 0.000 0.477 329 S N 0.331 116.018 115.700 -0.021 0.000 2.501 329 S HA 0.038 4.512 4.470 0.007 0.000 0.220 329 S C 1.032 175.683 174.600 0.084 0.000 0.997 329 S CA -0.177 58.040 58.200 0.028 0.000 0.919 329 S CB 0.253 63.455 63.200 0.003 0.000 0.778 329 S HN 0.044 nan 8.310 nan 0.000 0.523 330 R N 2.692 123.280 120.500 0.147 0.000 2.489 330 R HA 0.111 4.455 4.340 0.007 0.000 0.287 330 R C -0.764 175.626 176.300 0.151 0.000 1.053 330 R CA 0.251 56.411 56.100 0.100 0.000 1.036 330 R CB 0.234 30.549 30.300 0.026 0.000 0.966 330 R HN -0.013 nan 8.270 nan 0.000 0.432 331 D N 4.828 125.250 120.400 0.036 0.000 2.454 331 D HA 0.244 4.888 4.640 0.007 0.000 0.225 331 D C -0.864 175.392 176.300 -0.075 0.000 1.081 331 D CA -0.206 53.833 54.000 0.065 0.000 0.864 331 D CB 0.524 41.355 40.800 0.052 0.000 1.040 331 D HN 0.327 nan 8.370 nan 0.000 0.517 332 L N 2.218 123.348 121.223 -0.155 0.000 2.301 332 L HA 0.532 4.876 4.340 0.007 0.000 0.264 332 L C 0.153 176.946 176.870 -0.128 0.000 1.016 332 L CA -1.120 53.497 54.840 -0.373 0.000 0.821 332 L CB 1.582 43.031 42.059 -1.016 0.000 1.346 332 L HN 0.088 nan 8.230 nan 0.000 0.429 333 L N 0.639 121.794 121.223 -0.114 0.000 2.456 333 L HA 0.295 4.639 4.340 0.007 0.000 0.257 333 L C 1.402 178.331 176.870 0.097 0.000 1.162 333 L CA -0.299 54.552 54.840 0.017 0.000 0.808 333 L CB 0.356 42.406 42.059 -0.015 0.000 1.136 333 L HN 0.522 nan 8.230 nan 0.000 0.466 334 I N 0.218 120.887 120.570 0.163 0.000 2.113 334 I HA -0.336 3.838 4.170 0.007 0.000 0.242 334 I C 1.651 177.845 176.117 0.128 0.000 1.064 334 I CA 1.674 63.105 61.300 0.219 0.000 1.320 334 I CB -0.209 37.881 38.000 0.150 0.000 1.028 334 I HN 0.825 nan 8.210 nan 0.000 0.406 335 D N 0.345 120.757 120.400 0.020 0.000 2.263 335 D HA -0.157 4.487 4.640 0.007 0.000 0.208 335 D C 2.060 178.310 176.300 -0.084 0.000 0.971 335 D CA 0.964 54.930 54.000 -0.056 0.000 0.867 335 D CB -0.012 40.749 40.800 -0.064 0.000 0.929 335 D HN 0.417 nan 8.370 nan 0.000 0.492 336 E N -1.534 118.599 120.200 -0.111 0.000 2.190 336 E HA -0.039 4.316 4.350 0.007 0.000 0.191 336 E C 1.625 178.091 176.600 -0.224 0.000 0.978 336 E CA 0.237 56.509 56.400 -0.213 0.000 0.839 336 E CB 0.023 29.526 29.700 -0.328 0.000 0.787 336 E HN 0.421 nan 8.360 nan 0.000 0.473 337 W N 1.338 122.589 121.300 -0.083 0.000 2.476 337 W HA -0.007 4.657 4.660 0.007 0.000 0.281 337 W C 2.340 178.845 176.519 -0.024 0.000 1.230 337 W CA 0.342 57.630 57.345 -0.094 0.000 1.287 337 W CB 0.246 29.728 29.460 0.037 0.000 1.108 337 W HN -0.047 nan 8.180 nan 0.000 0.567 338 K N 0.229 120.686 120.400 0.096 0.000 2.057 338 K HA -0.193 4.131 4.320 0.007 0.000 0.207 338 K C 2.341 178.917 176.600 -0.041 0.000 1.049 338 K CA 1.729 57.832 56.287 -0.306 0.000 0.931 338 K CB -0.412 31.734 32.500 -0.590 0.000 0.714 338 K HN -0.034 nan 8.250 nan 0.000 0.440 339 S N -0.146 115.543 115.700 -0.017 0.000 2.406 339 S HA -0.050 4.424 4.470 0.007 0.000 0.228 339 S C 1.809 176.479 174.600 0.117 0.000 1.020 339 S CA 0.511 58.737 58.200 0.043 0.000 0.965 339 S CB -0.142 63.039 63.200 -0.031 0.000 0.798 339 S HN 0.241 nan 8.310 nan 0.000 0.488 340 L N 1.767 123.028 121.223 0.062 0.000 2.056 340 L HA 0.013 4.357 4.340 0.007 0.000 0.207 340 L C 2.691 179.738 176.870 0.295 0.000 1.078 340 L CA 1.940 56.818 54.840 0.063 0.000 0.749 340 L CB -1.546 40.369 42.059 -0.241 0.000 0.901 340 L HN 0.304 nan 8.230 nan 0.000 0.433 341 T N -1.984 112.822 114.554 0.420 0.000 2.746 341 T HA -0.248 4.106 4.350 0.007 0.000 0.267 341 T C 1.743 176.660 174.700 0.362 0.000 1.039 341 T CA 1.417 63.851 62.100 0.556 0.000 1.142 341 T CB -0.417 68.918 68.868 0.778 0.000 0.866 341 T HN 0.264 nan 8.240 nan 0.000 0.444 342 Y N 2.364 122.727 120.300 0.106 0.000 2.165 342 Y HA -0.176 4.377 4.550 0.006 0.000 0.286 342 Y C 2.028 177.842 175.900 -0.143 0.000 1.155 342 Y CA 1.370 59.294 58.100 -0.294 0.000 1.164 342 Y CB -0.392 37.898 38.460 -0.283 0.000 0.978 342 Y HN 0.166 nan 8.280 nan 0.000 0.513 343 D N -0.163 120.256 120.400 0.032 0.000 2.117 343 D HA -0.159 4.485 4.640 0.007 0.000 0.197 343 D C 2.017 178.302 176.300 -0.025 0.000 0.987 343 D CA 1.438 55.424 54.000 -0.022 0.000 0.829 343 D CB -0.220 40.618 40.800 0.064 0.000 0.961 343 D HN 0.448 nan 8.370 nan 0.000 0.460 344 E N 0.505 120.739 120.200 0.058 0.000 2.106 344 E HA -0.081 4.273 4.350 0.007 0.000 0.192 344 E C 2.383 179.015 176.600 0.053 0.000 0.984 344 E CA 0.228 56.674 56.400 0.076 0.000 0.806 344 E CB -0.138 29.626 29.700 0.107 0.000 0.750 344 E HN 0.158 nan 8.360 nan 0.000 0.458 345 V N 1.452 121.350 119.914 -0.026 0.000 2.229 345 V HA -0.245 3.879 4.120 0.007 0.000 0.243 345 V C 2.409 178.461 176.094 -0.070 0.000 1.042 345 V CA 1.392 63.657 62.300 -0.059 0.000 1.000 345 V CB -0.426 31.276 31.823 -0.202 0.000 0.637 345 V HN 0.133 nan 8.190 nan 0.000 0.446 346 I N 1.193 121.598 120.570 -0.275 0.000 2.229 346 I HA -0.263 3.912 4.170 0.007 0.000 0.250 346 I C 2.390 178.461 176.117 -0.077 0.000 1.096 346 I CA 2.297 63.439 61.300 -0.264 0.000 1.358 346 I CB -0.444 37.275 38.000 -0.468 0.000 1.047 346 I HN 0.504 nan 8.210 nan 0.000 0.422 347 S N -1.100 114.585 115.700 -0.026 0.000 2.575 347 S HA 0.060 4.534 4.470 0.007 0.000 0.215 347 S C 0.790 175.420 174.600 0.050 0.000 0.966 347 S CA -0.552 57.655 58.200 0.011 0.000 0.911 347 S CB -0.797 62.409 63.200 0.010 0.000 0.780 347 S HN 0.197 nan 8.310 nan 0.000 0.514 348 F N 3.027 122.965 119.950 -0.021 0.000 2.607 348 F HA 0.357 4.888 4.527 0.007 0.000 0.374 348 F C -0.337 175.468 175.800 0.008 0.000 1.104 348 F CA -0.185 57.816 58.000 0.003 0.000 1.296 348 F CB 0.614 39.626 39.000 0.019 0.000 1.085 348 F HN -0.028 nan 8.300 nan 0.000 0.584 349 V N 7.689 127.007 119.914 -0.995 0.000 2.407 349 V HA 0.311 4.435 4.120 0.007 0.000 0.291 349 V C -2.117 173.365 176.094 -1.020 0.000 1.018 349 V CA -1.875 60.010 62.300 -0.692 0.000 0.842 349 V CB 1.306 32.911 31.823 -0.363 0.000 0.996 349 V HN 0.666 nan 8.190 nan 0.000 0.426 350 P HA 0.181 nan 4.420 nan 0.000 0.267 350 P C -2.452 174.751 177.300 -0.162 0.000 1.200 350 P CA -0.677 62.285 63.100 -0.230 0.000 0.772 350 P CB -0.166 31.542 31.700 0.013 0.000 0.855 351 P HA 0.212 nan 4.420 nan 0.000 0.274 351 P C -2.163 175.131 177.300 -0.010 0.000 1.231 351 P CA -1.271 61.818 63.100 -0.019 0.000 0.790 351 P CB -0.666 31.064 31.700 0.050 0.000 0.951 352 P HA 0.105 nan 4.420 nan 0.000 0.278 352 P C 0.195 177.496 177.300 0.002 0.000 1.268 352 P CA 0.017 63.109 63.100 -0.014 0.000 0.813 352 P CB 0.488 32.178 31.700 -0.017 0.000 1.180 353 L N -1.745 119.478 121.223 0.000 0.000 2.867 353 L HA 0.458 4.802 4.340 0.007 0.000 0.235 353 L C 0.703 177.577 176.870 0.008 0.000 2.007 353 L CA -0.504 54.341 54.840 0.008 0.000 2.313 353 L CB 0.620 42.679 42.059 -0.000 0.000 2.475 353 L HN 0.297 nan 8.230 nan 0.000 0.585 354 D N 0.000 120.405 120.400 0.008 0.000 6.856 354 D HA 0.000 4.644 4.640 0.007 0.000 0.175 354 D CA 0.000 54.004 54.000 0.006 0.000 0.868 354 D CB 0.000 40.807 40.800 0.013 0.000 0.688 354 D HN 0.000 nan 8.370 nan 0.000 0.683