============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 93 rings ring int. center anis. iso. PHE 4 1.000 -15.405 23.866 19.050 -99.200 -91.000 PHE 8 1.000 -11.329 25.736 18.123 -99.200 -91.000 TRP 10 1.040 -13.587 26.424 13.501 -99.200 -91.000 TRP6 10 1.020 -14.183 24.389 14.526 -99.200 -91.000 TYR 17 0.840 7.264 11.297 -1.013 -99.200 -91.000 TRP 33 1.040 8.642 8.723 3.685 -99.200 -91.000 TRP6 33 1.020 7.262 6.842 3.346 -99.200 -91.000 HIS 34 0.900 12.620 9.845 -5.715 -99.200 -91.000 PHE 36 1.000 10.204 2.632 3.131 -99.200 -91.000 HIS 38 0.900 10.702 6.088 -7.341 -99.200 -91.000 HIS 55 0.900 -0.518 21.909 -2.780 -99.200 -91.000 TYR 56 0.840 7.173 22.033 -7.369 -99.200 -91.000 TRP 59 1.040 1.257 26.852 -6.447 -99.200 -91.000 TRP6 59 1.020 0.692 29.063 -5.835 -99.200 -91.000 TYR 74 0.840 -2.410 24.297 3.437 -99.200 -91.000 PHE 76 1.000 2.479 25.651 4.266 -99.200 -91.000 TRP 80 1.040 16.516 19.498 5.747 -99.200 -91.000 TRP6 80 1.020 16.732 18.381 7.820 -99.200 -91.000 PHE 98 1.000 5.666 24.310 -3.903 -99.200 -91.000 TYR 99 0.840 7.576 24.473 0.489 -99.200 -91.000 PHE 114 1.000 -1.189 27.119 13.525 -99.200 -91.000 TYR 118 0.840 11.710 15.090 9.433 -99.200 -91.000 HIS 119 0.900 3.575 15.457 8.215 -99.200 -91.000 TRP 120 1.040 6.703 11.770 9.316 -99.200 -91.000 TRP6 120 1.020 4.982 10.177 9.097 -99.200 -91.000 PHE 124 1.000 19.595 8.178 -0.412 -99.200 -91.000 TRP 132 1.040 15.229 11.884 11.800 -99.200 -91.000 TRP6 132 1.020 15.363 14.034 12.761 -99.200 -91.000 TRP 140 1.040 23.754 17.352 10.038 -99.200 -91.000 TRP6 140 1.020 23.447 15.015 9.862 -99.200 -91.000 PHE 141 1.000 14.458 20.053 12.843 -99.200 -91.000 TYR 144 0.840 14.391 22.191 6.996 -99.200 -91.000 PHE 149 1.000 12.739 28.784 12.875 -99.200 -91.000 PHE 152 1.000 9.877 30.182 3.515 -99.200 -91.000 TRP 159 1.040 7.498 29.428 12.256 -99.200 -91.000 TRP6 159 1.020 8.626 28.848 10.247 -99.200 -91.000 TRP 166 1.040 6.028 5.723 19.320 -99.200 -91.000 TRP6 166 1.020 4.807 4.437 17.737 -99.200 -91.000 HIS 173 0.900 14.842 5.747 12.050 -99.200 -91.000 TYR 175 0.840 6.702 -0.954 15.139 -99.200 -91.000 HIS 178 0.900 5.416 5.258 8.219 -99.200 -91.000 TYR 186 0.840 20.657 -2.053 21.727 -99.200 -91.000 PHE 189 1.000 13.251 3.079 22.637 -99.200 -91.000 HIS 193 0.900 18.931 11.669 24.011 -99.200 -91.000 HIS 199 0.900 10.907 20.604 20.177 -99.200 -91.000 PHE 206 1.000 9.792 30.621 16.366 -99.200 -91.000 PHE 219 1.000 4.773 15.563 21.218 -99.200 -91.000 TYR 223 0.840 -9.974 6.450 25.573 -99.200 -91.000 PHE 224 1.000 -2.500 3.143 23.059 -99.200 -91.000 PHE 234 1.000 5.504 0.099 26.963 -99.200 -91.000 HIS 236 0.900 -0.893 8.665 28.272 -99.200 -91.000 PHE 238 1.000 7.321 2.734 22.739 -99.200 -91.000 TYR 241 0.840 0.174 13.571 26.356 -99.200 -91.000 PHE 244 1.000 8.806 11.872 21.162 -99.200 -91.000 TYR 249 0.840 5.702 21.101 29.134 -99.200 -91.000 TYR 253 0.840 13.855 9.775 26.769 -99.200 -91.000 PHE 260 1.000 10.440 -1.755 25.374 -99.200 -91.000 TYR 264 0.840 16.154 -1.837 23.926 -99.200 -91.000 TYR 269 0.840 18.595 9.063 29.580 -99.200 -91.000 PHE 282 1.000 2.043 25.175 18.448 -99.200 -91.000 TYR 287 0.840 -8.199 9.965 19.283 -99.200 -91.000 TYR 288 0.840 -5.361 10.448 12.256 -99.200 -91.000 HIS 291 0.900 -5.282 1.327 18.474 -99.200 -91.000 PHE 295 1.000 2.250 -9.568 30.600 -99.200 -91.000 PHE 302 1.000 -1.924 -2.388 19.555 -99.200 -91.000 TRP 314 1.040 -5.995 2.978 11.898 -99.200 -91.000 TRP6 314 1.020 -5.178 5.067 11.133 -99.200 -91.000 TYR 322 0.840 -13.521 14.537 28.165 -99.200 -91.000 TRP 323 1.040 -8.283 9.408 28.781 -99.200 -91.000 TRP6 323 1.020 -6.011 9.093 28.188 -99.200 -91.000 TYR 332 0.840 3.696 15.621 30.564 -99.200 -91.000 TYR 338 0.840 -3.041 25.777 17.962 -99.200 -91.000 PHE 346 1.000 -15.260 6.333 7.149 -99.200 -91.000 HIS 357 0.900 -24.197 12.185 -2.131 -99.200 -91.000 TYR 364 0.840 -13.057 9.894 12.794 -99.200 -91.000 HIS 368 0.900 -13.461 11.380 16.292 -99.200 -91.000 TRP 373 1.040 -18.546 23.048 22.628 -99.200 -91.000 TRP6 373 1.020 -20.131 22.375 24.237 -99.200 -91.000 TYR 385 0.840 -11.108 19.205 14.595 -99.200 -91.000 PHE 386 1.000 -4.526 23.551 11.917 -99.200 -91.000 TRP 388 1.040 -4.262 13.381 7.103 -99.200 -91.000 TRP6 388 1.020 -2.288 14.590 6.603 -99.200 -91.000 PHE 394 1.000 3.145 7.725 -0.884 -99.200 -91.000 TRP 396 1.040 2.681 9.113 5.449 -99.200 -91.000 TRP6 396 1.020 4.433 10.423 4.523 -99.200 -91.000 TYR 400 0.840 -0.852 8.163 -4.602 -99.200 -91.000 PHE 404 1.000 -6.623 8.952 6.694 -99.200 -91.000 TYR 408 0.840 -12.638 10.835 -5.435 -99.200 -91.000 TYR 411 0.840 -4.952 10.160 -6.174 -99.200 -91.000 TYR 423 0.840 -19.779 21.083 -1.134 -99.200 -91.000 TRP 424 1.040 -21.044 18.528 8.970 -99.200 -91.000 TRP6 424 1.020 -19.136 18.191 10.331 -99.200 -91.000 TYR 425 0.840 -13.455 21.624 9.052 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1od0A1 VAL 3 HA -0.15 -0.01 0.09 -0.75 4.13 3.31 1od0A1 VAL 3 HB -0.09 0.10 0.03 -0.04 2.12 2.13 1od0A1 VAL 3 HG13 -0.05 -0.03 0.02 -0.04 0.97 0.86 1od0A1 VAL 3 HG23 -0.06 -0.03 -0.22 -0.04 0.95 0.60 1od0A1 LYS 4 H -0.26 0.53 0.00 -0.55 8.42 8.13 1od0A1 LYS 4 HA -0.89 0.16 0.79 -0.75 4.32 3.63 1od0A1 LYS 4 HB2 -0.64 -0.18 0.15 -0.04 1.87 1.17 1od0A1 LYS 4 HB3 -2.75 0.03 0.05 -0.04 1.79 -0.92 1od0A1 LYS 4 HG2 -1.78 0.17 -0.10 -0.04 1.46 -0.29 1od0A1 LYS 4 HG3 -0.65 -0.04 -0.52 -0.04 1.46 0.21 1od0A1 LYS 4 HD2 -0.46 -0.08 -0.01 -0.04 1.69 1.09 1od0A1 LYS 4 HD3 -0.90 0.03 -0.03 -0.04 1.68 0.74 1od0A1 LYS 4 HE2 -0.32 0.09 -0.12 -0.04 2.99 2.60 1od0A1 LYS 4 HE3 -0.17 -0.07 -0.07 -0.04 2.99 2.63 1od0A1 LYS 5 H 0.06 0.14 0.02 -0.55 8.42 8.09 1od0A1 LYS 5 HA 0.20 0.21 0.84 -0.75 4.32 4.82 1od0A1 LYS 5 HB2 0.10 -0.12 0.08 -0.04 1.87 1.90 1od0A1 LYS 5 HB3 0.15 0.10 -0.03 -0.04 1.79 1.97 1od0A1 LYS 5 HG2 0.09 0.23 -0.02 -0.04 1.46 1.72 1od0A1 LYS 5 HG3 0.04 -0.12 -0.06 -0.04 1.46 1.28 1od0A1 PHE 6 H 0.51 0.73 0.40 -0.55 8.34 9.43 1od0A1 PHE 6 HA 0.06 0.08 0.67 -0.75 4.62 4.67 1od0A1 PHE 6 HB2 0.13 0.12 0.08 -0.04 3.15 3.44 1od0A1 PHE 6 HB3 -0.65 0.03 0.08 -0.04 3.06 2.49 1od0A1 PHE 6 HD2 -1.11 0.07 -0.07 -0.04 7.28 6.13 1od0A1 PHE 6 HE2 -0.06 -0.07 -0.13 -0.04 7.38 7.08 1od0A1 PHE 6 HZ 0.21 0.16 0.01 -0.04 7.32 7.65 1od0A1 PRO 7 HA 0.06 0.00 0.46 -0.51 4.44 4.45 1od0A1 PRO 7 HB2 0.13 0.05 -0.03 -0.04 2.28 2.38 1od0A1 PRO 7 HB3 0.03 0.01 0.10 -0.04 2.02 2.12 1od0A1 PRO 7 HG2 -0.01 0.13 0.09 -0.04 2.03 2.20 1od0A1 PRO 7 HG3 -0.09 0.03 0.08 -0.04 2.03 2.01 1od0A1 PRO 7 HD2 -0.18 0.07 0.17 -0.04 3.68 3.70 1od0A1 PRO 7 HD3 -0.30 0.11 0.22 -0.04 3.65 3.64 1od0A1 GLU 8 H 0.07 0.06 0.17 -0.55 8.60 8.35 1od0A1 GLU 8 HA 0.12 0.09 0.55 -0.75 4.29 4.29 1od0A1 GLU 8 HB2 0.07 0.02 0.14 -0.04 2.09 2.28 1od0A1 GLU 8 HB3 0.06 -0.03 0.18 -0.04 1.99 2.15 1od0A1 GLU 8 HG2 0.05 -0.03 -0.05 -0.04 2.34 2.27 1od0A1 GLU 8 HG3 0.07 0.10 -0.38 -0.04 2.34 2.09 1od0A1 GLY 9 H 0.11 0.13 0.18 -0.55 8.43 8.31 1od0A1 GLY 9 HA2 0.08 0.01 0.34 -0.51 4.01 3.93 1od0A1 GLY 9 HA3 0.07 0.05 0.47 -0.51 4.01 4.09 1od0A1 PHE 10 H 0.23 0.39 -0.51 -0.55 8.34 7.90 1od0A1 PHE 10 HA -0.11 0.09 0.39 -0.75 4.62 4.24 1od0A1 PHE 10 HB2 0.02 0.17 0.02 -0.04 3.15 3.31 1od0A1 PHE 10 HB3 -0.17 -0.06 -0.03 -0.04 3.06 2.77 1od0A1 PHE 10 HD2 -1.19 0.05 -0.20 -0.04 7.28 5.90 1od0A1 PHE 10 HE2 -1.08 -0.01 -0.30 -0.04 7.38 5.95 1od0A1 PHE 10 HZ -0.09 -0.07 -0.32 -0.04 7.32 6.80 1od0A1 LEU 11 H -0.72 0.62 0.35 -0.55 8.37 8.06 1od0A1 LEU 11 HA -0.20 0.14 0.62 -0.75 4.35 4.16 1od0A1 LEU 11 HB2 -0.19 0.22 0.24 -0.04 1.64 1.87 1od0A1 LEU 11 HB3 -0.41 -0.21 0.03 -0.04 1.64 1.02 1od0A1 LEU 11 HG -0.07 -0.10 -0.15 -0.04 1.64 1.28 1od0A1 LEU 11 HD13 0.01 0.05 -0.06 -0.04 0.93 0.89 1od0A1 LEU 11 HD23 0.25 -0.00 -0.07 -0.04 0.89 1.03 1od0A1 TRP 12 H -0.01 0.29 0.21 -0.55 7.97 7.91 1od0A1 TRP 12 HA -0.11 0.18 0.98 -0.75 4.62 4.91 1od0A1 TRP 12 HB2 -0.15 -0.02 0.24 -0.04 3.23 3.25 1od0A1 TRP 12 HB3 -0.19 -0.02 0.07 -0.04 3.23 3.04 1od0A1 TRP 12 HD1 -0.03 0.10 0.08 -0.04 7.22 7.33 1od0A1 TRP 12 HE1 0.03 0.06 -0.04 -0.04 10.20 10.21 1od0A1 TRP 12 HE3 0.24 0.00 -0.02 -0.04 7.59 7.78 1od0A1 TRP 12 HZ2 -0.82 0.10 -0.32 -0.04 7.44 6.35 1od0A1 TRP 12 HZ3 -0.40 -0.10 -0.10 -0.04 7.13 6.50 1od0A1 TRP 12 HH2 -1.50 -0.03 -0.13 -0.04 7.19 5.48 1od0A1 GLY 13 H -0.11 0.76 0.41 -0.55 8.43 8.94 1od0A1 GLY 13 HA2 -0.08 0.23 1.07 -0.51 4.01 4.72 1od0A1 GLY 13 HA3 -1.06 -0.02 0.22 -0.51 4.01 2.64 1od0A1 VAL 14 H 0.26 0.52 0.38 -0.55 8.24 8.85 1od0A1 VAL 14 HA 0.19 0.12 0.61 -0.75 4.13 4.30 1od0A1 VAL 14 HB 0.07 -0.14 0.13 -0.04 2.12 2.15 1od0A1 VAL 14 HG13 0.15 0.01 -0.06 -0.04 0.97 1.03 1od0A1 VAL 14 HG23 0.15 0.02 -0.01 -0.04 0.95 1.07 1od0A1 ALA 15 H 0.09 0.42 0.30 -0.55 8.40 8.67 1od0A1 ALA 15 HA 0.16 0.39 1.12 -0.75 4.34 5.26 1od0A1 ALA 15 HB3 0.30 0.00 -0.10 -0.04 1.41 1.58 1od0A1 THR 16 H 0.03 0.76 0.37 -0.55 8.28 8.89 1od0A1 THR 16 HA -0.67 0.10 0.63 -0.75 4.39 3.69 1od0A1 THR 16 HB -0.14 -0.11 0.13 -0.04 4.32 4.16 1od0A1 THR 16 HG23 -0.10 0.00 -0.18 -0.04 1.22 0.90 1od0A1 ALA 17 H -0.03 0.25 0.15 -0.55 8.40 8.23 1od0A1 ALA 17 HA -0.08 0.11 0.62 -0.75 4.34 4.23 1od0A1 ALA 17 HB3 -0.61 0.04 0.01 -0.04 1.41 0.82 1od0A1 SER 18 H 0.09 0.20 0.06 -0.55 8.46 8.26 1od0A1 SER 18 HA 0.20 0.14 0.28 -0.75 4.49 4.35 1od0A1 SER 18 HB2 0.32 0.05 -0.06 -0.04 3.95 4.22 1od0A1 SER 18 HB3 0.33 0.30 -0.11 -0.04 3.93 4.41 1od0A1 TYR 19 H 0.23 0.13 -0.07 -0.55 8.29 8.03 1od0A1 TYR 19 HA 0.02 0.13 0.36 -0.75 4.56 4.32 1od0A1 TYR 19 HB2 0.20 -0.03 0.07 -0.04 3.06 3.25 1od0A1 TYR 19 HB3 0.03 0.06 0.01 -0.04 2.98 3.04 1od0A1 TYR 19 HD2 -0.14 0.05 -0.11 -0.04 7.15 6.91 1od0A1 TYR 19 HE2 -0.23 0.06 -0.10 -0.04 6.85 6.53 1od0A1 GLN 20 H -0.16 0.08 -0.35 -0.55 8.47 7.49 1od0A1 GLN 20 HA -0.33 0.10 0.48 -0.75 4.36 3.85 1od0A1 GLN 20 HB2 -0.15 0.00 0.07 -0.04 2.15 2.03 1od0A1 GLN 20 HB3 -0.24 0.02 0.07 -0.04 2.02 1.83 1od0A1 GLN 20 HG2 -1.64 0.08 0.04 -0.04 2.40 0.83 1od0A1 GLN 20 HG3 -0.71 -0.15 -0.01 -0.04 2.39 1.48 1od0A1 GLN 20 HE21 -0.10 -0.03 -0.09 -0.04 6.97 6.71 1od0A1 GLN 20 HE22 -0.76 0.47 0.07 -0.04 7.69 7.42 1od0A1 ILE 21 H -0.07 0.27 -0.22 -0.55 8.25 7.68 1od0A1 ILE 21 HA 0.01 0.15 1.15 -0.75 4.18 4.74 1od0A1 ILE 21 HB -0.04 0.02 0.00 -0.04 1.89 1.83 1od0A1 ILE 21 HG12 -0.05 0.14 -0.01 -0.04 1.49 1.53 1od0A1 ILE 21 HG13 -0.01 0.05 -0.23 -0.04 1.21 0.98 1od0A1 ILE 21 HG23 -0.12 0.00 -0.17 -0.04 0.93 0.60 1od0A1 ILE 21 HD13 -0.48 0.00 -0.12 -0.04 0.88 0.23 1od0A1 GLU 22 H 0.01 0.47 0.14 -0.55 8.60 8.68 1od0A1 GLU 22 HA 0.27 -0.13 0.24 -0.75 4.29 3.92 1od0A1 GLU 22 HB2 0.07 0.08 0.16 -0.04 2.09 2.36 1od0A1 GLU 22 HB3 0.10 0.16 -0.01 -0.04 1.99 2.20 1od0A1 GLU 22 HG2 0.50 -0.00 -0.08 -0.04 2.34 2.72 1od0A1 GLU 22 HG3 0.25 -0.07 0.09 -0.04 2.34 2.56 1od0A1 GLY 23 H -0.12 0.04 -0.18 -0.55 8.43 7.63 1od0A1 GLY 23 HA2 -0.12 0.33 -0.02 -0.51 4.01 3.68 1od0A1 GLY 23 HA3 -0.03 0.19 0.47 -0.51 4.01 4.13 1od0A1 SER 24 H -0.06 0.59 0.31 -0.55 8.46 8.75 1od0A1 SER 24 HA -0.12 -0.01 0.38 -0.75 4.49 3.99 1od0A1 SER 24 HB2 -0.43 0.19 -0.17 -0.04 3.95 3.50 1od0A1 SER 24 HB3 -0.45 -0.10 0.19 -0.04 3.93 3.53 1od0A1 PRO 25 HA -0.06 0.10 0.14 -0.51 4.44 4.12 1od0A1 PRO 25 HB2 0.04 -0.02 -0.07 -0.04 2.28 2.19 1od0A1 PRO 25 HB3 0.18 -0.03 -0.04 -0.04 2.02 2.10 1od0A1 PRO 25 HG2 -0.00 0.04 -0.02 -0.04 2.03 2.00 1od0A1 PRO 25 HG3 0.26 -0.03 -0.10 -0.04 2.03 2.12 1od0A1 PRO 25 HD2 -0.02 0.10 0.18 -0.04 3.68 3.90 1od0A1 PRO 25 HD3 -0.04 0.22 -0.01 -0.04 3.65 3.78 1od0A1 LEU 26 H -0.13 0.03 -0.37 -0.55 8.37 7.35 1od0A1 LEU 26 HA -0.13 0.36 0.78 -0.75 4.35 4.60 1od0A1 LEU 26 HB2 -0.11 -0.03 -0.03 -0.04 1.64 1.42 1od0A1 LEU 26 HB3 -0.12 0.07 0.08 -0.04 1.64 1.62 1od0A1 LEU 26 HG -0.28 -0.11 -0.16 -0.04 1.64 1.04 1od0A1 LEU 26 HD13 -0.20 0.00 -0.06 -0.04 0.93 0.64 1od0A1 LEU 26 HD23 -0.38 0.05 -0.29 -0.04 0.89 0.23 1od0A1 ALA 27 H -0.25 0.44 -0.26 -0.55 8.40 7.79 1od0A1 ALA 27 HA -0.09 0.01 0.48 -0.75 4.34 3.98 1od0A1 ALA 27 HB3 -0.31 0.02 0.08 -0.04 1.41 1.15 1od0A1 ASP 28 H -0.01 0.12 0.17 -0.55 8.40 8.13 1od0A1 ASP 28 HA 0.02 0.02 0.35 -0.75 4.63 4.27 1od0A1 ASP 28 HB2 0.07 0.16 -0.34 -0.04 2.71 2.56 1od0A1 ASP 28 HB3 0.08 -0.06 0.13 -0.04 2.70 2.81 1od0A1 GLY 29 H -0.02 0.14 -0.21 -0.55 8.43 7.80 1od0A1 GLY 29 HA2 -0.01 -0.00 0.24 -0.51 4.01 3.73 1od0A1 GLY 29 HA3 0.02 0.01 0.32 -0.51 4.01 3.84 1od0A1 ALA 30 H -0.03 0.35 -0.51 -0.55 8.40 7.66 1od0A1 ALA 30 HA 0.03 0.12 0.58 -0.75 4.34 4.31 1od0A1 ALA 30 HB3 -0.03 -0.03 -0.04 -0.04 1.41 1.27 1od0A1 GLY 31 H 0.02 0.48 0.26 -0.55 8.43 8.64 1od0A1 GLY 31 HA2 -0.03 0.04 0.70 -0.51 4.01 4.21 1od0A1 GLY 31 HA3 -0.02 0.24 0.52 -0.51 4.01 4.24 1od0A1 MET 32 H -0.04 0.10 0.16 -0.55 8.47 8.13 1od0A1 MET 32 HA -0.13 0.09 0.58 -0.75 4.52 4.30 1od0A1 MET 32 HB2 -0.04 -0.05 0.09 -0.04 2.15 2.12 1od0A1 MET 32 HB3 -0.08 0.01 0.05 -0.04 2.03 1.97 1od0A1 MET 32 HG2 -0.38 0.02 -0.01 -0.04 2.63 2.22 1od0A1 MET 32 HG3 -0.14 0.04 0.05 -0.04 2.56 2.47 1od0A1 MET 32 HE3 -0.23 -0.00 -0.01 -0.04 2.10 1.81 1od0A1 SER 33 H 0.10 0.09 0.19 -0.55 8.46 8.29 1od0A1 SER 33 HA 0.11 0.20 0.94 -0.75 4.49 4.99 1od0A1 SER 33 HB2 0.20 0.06 -0.07 -0.04 3.95 4.10 1od0A1 SER 33 HB3 0.18 0.15 0.00 -0.04 3.93 4.22 1od0A1 ILE 34 H 0.16 0.69 0.14 -0.55 8.25 8.68 1od0A1 ILE 34 HA 0.21 0.11 0.48 -0.75 4.18 4.23 1od0A1 ILE 34 HB -0.04 0.04 0.06 -0.04 1.89 1.90 1od0A1 ILE 34 HG12 0.20 -0.05 0.15 -0.04 1.49 1.74 1od0A1 ILE 34 HG13 -0.05 -0.00 -0.14 -0.04 1.21 0.97 1od0A1 ILE 34 HG23 0.07 0.05 -0.10 -0.04 0.93 0.90 1od0A1 ILE 34 HD13 0.11 0.03 -0.12 -0.04 0.88 0.86 1od0A1 TRP 35 H 0.21 0.05 -0.23 -0.55 7.97 7.45 1od0A1 TRP 35 HA 0.08 0.18 0.63 -0.75 4.62 4.76 1od0A1 TRP 35 HB2 -0.38 -0.06 0.04 -0.04 3.23 2.79 1od0A1 TRP 35 HB3 -1.11 0.02 -0.08 -0.04 3.23 2.02 1od0A1 TRP 35 HD1 0.10 0.18 -0.10 -0.04 7.22 7.36 1od0A1 TRP 35 HE1 -0.24 0.10 -0.02 -0.04 10.20 9.99 1od0A1 TRP 35 HE3 0.47 -0.03 -0.01 -0.04 7.59 7.98 1od0A1 TRP 35 HZ2 -0.68 0.06 0.03 -0.04 7.44 6.81 1od0A1 TRP 35 HZ3 0.71 0.14 -0.20 -0.04 7.13 7.74 1od0A1 TRP 35 HH2 0.32 0.09 -0.02 -0.04 7.19 7.54 1od0A1 HIS 36 H 0.18 0.02 -0.18 -0.55 8.41 7.88 1od0A1 HIS 36 HA 0.35 0.03 0.53 -0.75 4.63 4.79 1od0A1 HIS 36 HB2 0.20 -0.05 0.11 -0.04 3.26 3.47 1od0A1 HIS 36 HB3 0.04 0.13 0.18 -0.04 3.20 3.51 1od0A1 HIS 36 HD2 -0.17 0.03 -0.16 -0.04 6.97 6.62 1od0A1 HIS 36 HE1 -0.17 0.01 -0.05 -0.04 7.75 7.49 1od0A1 THR 37 H 0.09 0.33 -0.14 -0.55 8.28 8.01 1od0A1 THR 37 HA -0.10 0.10 0.24 -0.75 4.39 3.87 1od0A1 THR 37 HB -0.19 0.08 -0.02 -0.04 4.32 4.15 1od0A1 THR 37 HG23 -0.77 0.01 -0.03 -0.04 1.22 0.40 1od0A1 PHE 38 H 0.10 0.35 -0.24 -0.55 8.34 7.99 1od0A1 PHE 38 HA -0.11 0.13 0.44 -0.75 4.62 4.33 1od0A1 PHE 38 HB2 -0.39 0.07 0.14 -0.04 3.15 2.93 1od0A1 PHE 38 HB3 -0.53 -0.12 0.14 -0.04 3.06 2.51 1od0A1 PHE 38 HD2 -0.46 -0.01 -0.20 -0.04 7.28 6.57 1od0A1 PHE 38 HE2 -0.07 0.12 -0.17 -0.04 7.38 7.22 1od0A1 PHE 38 HZ -0.04 0.22 -0.34 -0.04 7.32 7.11 1od0A1 SER 39 H 0.22 0.45 -0.15 -0.55 8.46 8.44 1od0A1 SER 39 HA 0.07 0.09 0.41 -0.75 4.49 4.32 1od0A1 SER 39 HB2 0.32 0.21 0.19 -0.04 3.95 4.64 1od0A1 SER 39 HB3 0.67 -0.08 0.11 -0.04 3.93 4.59 1od0A1 HIS 40 H 0.05 0.32 -0.44 -0.55 8.41 7.80 1od0A1 HIS 40 HA -0.07 0.09 0.61 -0.75 4.63 4.51 1od0A1 HIS 40 HB2 -0.25 0.10 0.07 -0.04 3.26 3.14 1od0A1 HIS 40 HB3 -0.14 -0.05 0.10 -0.04 3.20 3.08 1od0A1 HIS 40 HD2 -0.55 0.09 0.05 -0.04 6.97 6.51 1od0A1 HIS 40 HE1 -0.02 -0.02 -0.02 -0.04 7.75 7.64 1od0A1 THR 41 H -0.11 0.33 -0.68 -0.55 8.28 7.27 1od0A1 THR 41 HA -0.06 0.10 0.80 -0.75 4.39 4.48 1od0A1 THR 41 HB -0.27 0.12 0.18 -0.04 4.32 4.31 1od0A1 THR 41 HG23 -0.09 0.01 -0.05 -0.04 1.22 1.05 1od0A1 PRO 42 HA -0.05 -0.03 0.39 -0.51 4.44 4.24 1od0A1 PRO 42 HB2 -0.03 0.02 0.05 -0.04 2.28 2.27 1od0A1 PRO 42 HB3 -0.02 -0.01 0.08 -0.04 2.02 2.03 1od0A1 PRO 42 HG2 -0.02 0.00 0.10 -0.04 2.03 2.07 1od0A1 PRO 42 HG3 -0.02 0.04 0.09 -0.04 2.03 2.10 1od0A1 PRO 42 HD2 -0.04 0.06 0.23 -0.04 3.68 3.90 1od0A1 PRO 42 HD3 -0.03 0.38 0.29 -0.04 3.65 4.25 1od0A1 GLY 43 H -0.04 0.08 0.18 -0.55 8.43 8.10 1od0A1 GLY 43 HA2 -0.03 -0.05 0.32 -0.51 4.01 3.74 1od0A1 GLY 43 HA3 -0.05 0.16 0.52 -0.51 4.01 4.14 1od0A1 ASN 44 H -0.16 0.39 -0.13 -0.55 8.53 8.08 1od0A1 ASN 44 HA -0.16 0.15 0.54 -0.75 4.76 4.54 1od0A1 ASN 44 HB2 -0.57 0.26 0.11 -0.04 2.88 2.64 1od0A1 ASN 44 HB3 -1.34 -0.14 -0.10 -0.04 2.79 1.17 1od0A1 ASN 44 HD21 -0.46 -0.05 -0.03 -0.04 7.03 6.45 1od0A1 ASN 44 HD22 -1.31 0.13 0.09 -0.04 7.74 6.61 1od0A1 VAL 45 H -0.03 0.09 0.02 -0.55 8.24 7.78 1od0A1 VAL 45 HA 0.16 0.26 1.02 -0.75 4.13 4.82 1od0A1 VAL 45 HB 0.15 0.07 0.03 -0.04 2.12 2.33 1od0A1 VAL 45 HG13 0.17 0.01 -0.12 -0.04 0.97 0.98 1od0A1 VAL 45 HG23 0.44 -0.02 -0.20 -0.04 0.95 1.13 1od0A1 LYS 46 H 0.06 0.68 0.17 -0.55 8.42 8.77 1od0A1 LYS 46 HA 0.03 0.00 0.35 -0.75 4.32 3.95 1od0A1 LYS 46 HB2 0.02 0.00 0.20 -0.04 1.87 2.05 1od0A1 LYS 46 HB3 -0.01 -0.01 -0.11 -0.04 1.79 1.61 1od0A1 LYS 46 HG2 0.00 -0.05 -0.11 -0.04 1.46 1.26 1od0A1 LYS 46 HG3 0.01 -0.06 0.07 -0.04 1.46 1.44 1od0A1 LYS 46 HD2 -0.01 -0.01 0.02 -0.04 1.69 1.65 1od0A1 LYS 46 HD3 0.00 -0.01 0.02 -0.04 1.68 1.65 1od0A1 LYS 46 HE2 0.02 0.00 0.12 -0.04 2.99 3.09 1od0A1 LYS 46 HE3 -0.00 -0.04 0.07 -0.04 2.99 2.99 1od0A1 ASN 47 H 0.02 0.16 0.19 -0.55 8.53 8.35 1od0A1 ASN 47 HA 0.02 0.04 0.35 -0.75 4.76 4.40 1od0A1 ASN 47 HB2 0.04 0.07 -0.09 -0.04 2.88 2.86 1od0A1 ASN 47 HB3 0.03 0.01 0.17 -0.04 2.79 2.96 1od0A1 ASN 47 HD21 0.01 0.03 -0.04 -0.04 7.03 6.99 1od0A1 ASN 47 HD22 0.02 -0.02 -0.12 -0.04 7.74 7.57 1od0A1 GLY 48 H 0.02 0.41 -0.28 -0.55 8.43 8.03 1od0A1 GLY 48 HA2 0.01 0.05 0.27 -0.51 4.01 3.83 1od0A1 GLY 48 HA3 0.00 0.00 0.47 -0.51 4.01 3.98 1od0A1 ASP 49 H 0.08 0.42 -0.36 -0.55 8.40 8.00 1od0A1 ASP 49 HA 0.14 0.02 0.38 -0.75 4.63 4.43 1od0A1 ASP 49 HB2 0.09 0.03 0.04 -0.04 2.71 2.83 1od0A1 ASP 49 HB3 0.24 -0.07 0.04 -0.04 2.70 2.87 1od0A1 THR 50 H 0.15 0.11 0.22 -0.55 8.28 8.21 1od0A1 THR 50 HA 0.06 0.26 0.68 -0.75 4.39 4.65 1od0A1 THR 50 HB -0.12 -0.05 0.10 -0.04 4.32 4.21 1od0A1 THR 50 HG23 -0.45 0.13 -0.25 -0.04 1.22 0.61 1od0A1 GLY 51 H -0.20 0.22 0.04 -0.55 8.43 7.95 1od0A1 GLY 51 HA2 -0.55 0.13 0.71 -0.51 4.01 3.79 1od0A1 GLY 51 HA3 -1.32 0.09 0.33 -0.51 4.01 2.61 1od0A1 ASP 52 H -0.04 0.13 -0.43 -0.55 8.40 7.52 1od0A1 ASP 52 HA 0.06 0.04 0.36 -0.75 4.63 4.34 1od0A1 ASP 52 HB2 0.04 0.01 0.05 -0.04 2.71 2.76 1od0A1 ASP 52 HB3 0.06 0.05 -0.03 -0.04 2.70 2.74 1od0A1 VAL 53 H -0.04 0.03 -0.18 -0.55 8.24 7.50 1od0A1 VAL 53 HA -0.02 0.17 1.05 -0.75 4.13 4.58 1od0A1 VAL 53 HB -0.08 -0.00 0.06 -0.04 2.12 2.05 1od0A1 VAL 53 HG13 -0.01 0.05 -0.15 -0.04 0.97 0.81 1od0A1 VAL 53 HG23 -0.02 0.00 -0.11 -0.04 0.95 0.78 1od0A1 ALA 54 H -0.05 0.03 0.05 -0.55 8.40 7.88 1od0A1 ALA 54 HA 0.17 0.05 0.29 -0.75 4.34 4.10 1od0A1 ALA 54 HB3 -0.04 0.08 -0.22 -0.04 1.41 1.18 1od0A1 CYS 55 H 0.09 0.22 0.19 -0.55 8.50 8.45 1od0A1 CYS 55 HA 0.13 0.14 0.69 -0.75 4.58 4.78 1od0A1 CYS 55 HB2 0.10 0.05 0.14 -0.04 2.97 3.23 1od0A1 CYS 55 HB3 0.05 0.00 0.13 -0.04 2.97 3.11 1od0A1 ASP 56 H 0.06 0.49 -0.20 -0.55 8.40 8.20 1od0A1 ASP 56 HA 0.09 0.16 0.37 -0.75 4.63 4.49 1od0A1 ASP 56 HB2 0.04 0.02 -0.11 -0.04 2.71 2.61 1od0A1 ASP 56 HB3 0.04 0.17 -0.06 -0.04 2.70 2.80 1od0A1 HIS 57 H 0.23 0.41 -0.11 -0.55 8.41 8.39 1od0A1 HIS 57 HA 0.12 0.02 0.23 -0.75 4.63 4.26 1od0A1 HIS 57 HB2 0.10 0.05 -0.13 -0.04 3.26 3.24 1od0A1 HIS 57 HB3 0.17 -0.07 -0.32 -0.04 3.20 2.92 1od0A1 HIS 57 HD2 0.37 0.01 -0.24 -0.04 6.97 7.07 1od0A1 HIS 57 HE1 0.04 0.06 -0.07 -0.04 7.75 7.74 1od0A1 TYR 58 H 0.29 0.56 -0.12 -0.55 8.29 8.46 1od0A1 TYR 58 HA 0.10 0.03 0.39 -0.75 4.56 4.33 1od0A1 TYR 58 HB2 -0.11 0.10 -0.04 -0.04 3.06 2.97 1od0A1 TYR 58 HB3 -0.04 -0.03 -0.08 -0.04 2.98 2.78 1od0A1 TYR 58 HD2 -0.67 -0.05 -0.08 -0.04 7.15 6.31 1od0A1 TYR 58 HE2 -0.57 -0.04 -0.03 -0.04 6.85 6.18 1od0A1 ASN 59 H 0.16 0.28 -0.34 -0.55 8.53 8.09 1od0A1 ASN 59 HA 0.12 0.18 0.92 -0.75 4.76 5.23 1od0A1 ASN 59 HB2 0.06 0.12 0.11 -0.04 2.88 3.12 1od0A1 ASN 59 HB3 0.02 -0.02 0.04 -0.04 2.79 2.79 1od0A1 ASN 59 HD21 0.13 -0.03 -0.04 -0.04 7.03 7.04 1od0A1 ASN 59 HD22 0.10 0.04 0.01 -0.04 7.74 7.84 1od0A1 ARG 60 H 0.03 0.38 0.12 -0.55 8.46 8.43 1od0A1 ARG 60 HA -0.22 0.13 0.68 -0.75 4.34 4.18 1od0A1 ARG 60 HB2 -0.02 0.05 0.00 -0.04 1.90 1.89 1od0A1 ARG 60 HB3 -0.09 -0.08 0.15 -0.04 1.80 1.74 1od0A1 ARG 60 HG2 -0.06 -0.03 -0.09 -0.04 1.67 1.45 1od0A1 ARG 60 HG3 -0.00 0.13 0.07 -0.04 1.67 1.83 1od0A1 ARG 60 HD2 0.01 0.17 0.03 -0.04 3.22 3.38 1od0A1 ARG 60 HD3 -0.03 0.00 0.03 -0.04 3.22 3.17 1od0A1 TRP 61 H -0.05 0.32 -0.39 -0.55 7.97 7.31 1od0A1 TRP 61 HA -0.83 -0.03 0.29 -0.75 4.62 3.30 1od0A1 TRP 61 HB2 -0.47 -0.04 -0.02 -0.04 3.23 2.66 1od0A1 TRP 61 HB3 -0.58 0.27 0.08 -0.04 3.23 2.96 1od0A1 TRP 61 HD1 -0.11 0.19 -0.22 -0.04 7.22 7.04 1od0A1 TRP 61 HE1 -0.12 0.02 0.01 -0.04 10.20 10.08 1od0A1 TRP 61 HE3 -0.22 -0.04 -0.39 -0.04 7.59 6.91 1od0A1 TRP 61 HZ2 -0.10 0.01 -0.02 -0.04 7.44 7.28 1od0A1 TRP 61 HZ3 -0.13 0.06 -0.12 -0.04 7.13 6.90 1od0A1 TRP 61 HH2 -0.09 0.03 -0.06 -0.04 7.19 7.03 1od0A1 LYS 62 H -1.60 0.17 -0.23 -0.55 8.42 6.21 1od0A1 LYS 62 HA -0.49 0.11 0.39 -0.75 4.32 3.58 1od0A1 LYS 62 HB2 -1.99 0.03 0.06 -0.04 1.87 -0.07 1od0A1 LYS 62 HB3 -0.74 -0.00 0.02 -0.04 1.79 1.03 1od0A1 LYS 62 HG2 -0.33 -0.01 -0.07 -0.04 1.46 1.01 1od0A1 LYS 62 HG3 -0.46 0.04 0.01 -0.04 1.46 1.01 1od0A1 LYS 62 HD2 -0.40 0.02 -0.01 -0.04 1.69 1.26 1od0A1 LYS 62 HD3 -0.40 -0.01 -0.03 -0.04 1.68 1.20 1od0A1 LYS 62 HE2 -0.16 -0.00 -0.04 -0.04 2.99 2.75 1od0A1 LYS 62 HE3 -0.10 0.03 -0.02 -0.04 2.99 2.86 1od0A1 GLU 63 H -0.38 0.15 -0.14 -0.55 8.60 7.68 1od0A1 GLU 63 HA -0.16 0.06 0.47 -0.75 4.29 3.90 1od0A1 GLU 63 HB2 -0.15 -0.00 0.10 -0.04 2.09 1.99 1od0A1 GLU 63 HB3 -0.17 0.11 0.16 -0.04 1.99 2.04 1od0A1 GLU 63 HG2 -0.08 0.03 -0.42 -0.04 2.34 1.83 1od0A1 GLU 63 HG3 -0.09 -0.04 -0.08 -0.04 2.34 2.10 1od0A1 ASP 64 H -0.12 0.48 -0.17 -0.55 8.40 8.04 1od0A1 ASP 64 HA -0.05 0.00 0.36 -0.75 4.63 4.19 1od0A1 ASP 64 HB2 0.12 0.13 0.07 -0.04 2.71 2.98 1od0A1 ASP 64 HB3 0.06 -0.07 -0.07 -0.04 2.70 2.59 1od0A1 ILE 65 H -0.06 0.54 -0.15 -0.55 8.25 8.02 1od0A1 ILE 65 HA -0.15 0.01 0.44 -0.75 4.18 3.73 1od0A1 ILE 65 HB -0.01 0.08 0.14 -0.04 1.89 2.06 1od0A1 ILE 65 HG12 -0.09 -0.05 -0.04 -0.04 1.49 1.27 1od0A1 ILE 65 HG13 0.08 0.14 0.05 -0.04 1.21 1.43 1od0A1 ILE 65 HG23 0.00 0.00 -0.20 -0.04 0.93 0.70 1od0A1 ILE 65 HD13 0.20 -0.02 -0.06 -0.04 0.88 0.96 1od0A1 GLU 66 H -0.10 0.64 -0.06 -0.55 8.60 8.53 1od0A1 GLU 66 HA -0.05 0.03 0.46 -0.75 4.29 3.98 1od0A1 GLU 66 HB2 -0.10 0.09 0.19 -0.04 2.09 2.23 1od0A1 GLU 66 HB3 -0.06 -0.06 0.05 -0.04 1.99 1.88 1od0A1 GLU 66 HG2 -0.07 -0.01 0.04 -0.04 2.34 2.26 1od0A1 GLU 66 HG3 -0.11 0.13 0.09 -0.04 2.34 2.41 1od0A1 ILE 67 H -0.07 0.44 -0.36 -0.55 8.25 7.71 1od0A1 ILE 67 HA -0.04 0.00 0.52 -0.75 4.18 3.91 1od0A1 ILE 67 HB -0.07 0.24 0.15 -0.04 1.89 2.18 1od0A1 ILE 67 HG12 -0.05 -0.05 -0.00 -0.04 1.49 1.36 1od0A1 ILE 67 HG13 -0.06 0.30 0.02 -0.04 1.21 1.43 1od0A1 ILE 67 HG23 -0.05 -0.03 -0.16 -0.04 0.93 0.64 1od0A1 ILE 67 HD13 -0.05 -0.04 -0.07 -0.04 0.88 0.67 1od0A1 ILE 68 H -0.08 0.42 -0.08 -0.55 8.25 7.96 1od0A1 ILE 68 HA -0.03 -0.07 0.43 -0.75 4.18 3.76 1od0A1 ILE 68 HB -0.10 0.18 0.14 -0.04 1.89 2.08 1od0A1 ILE 68 HG12 -0.13 -0.10 -0.01 -0.04 1.49 1.21 1od0A1 ILE 68 HG13 -0.18 0.13 0.07 -0.04 1.21 1.19 1od0A1 ILE 68 HG23 0.00 0.01 -0.19 -0.04 0.93 0.71 1od0A1 ILE 68 HD13 -0.64 -0.03 -0.10 -0.04 0.88 0.07 1od0A1 GLU 69 H -0.04 0.56 -0.11 -0.55 8.60 8.48 1od0A1 GLU 69 HA -0.00 0.16 0.38 -0.75 4.29 4.07 1od0A1 GLU 69 HB2 -0.01 0.01 0.07 -0.04 2.09 2.12 1od0A1 GLU 69 HB3 -0.02 -0.02 0.20 -0.04 1.99 2.10 1od0A1 GLU 69 HG2 -0.01 -0.03 -0.22 -0.04 2.34 2.04 1od0A1 GLU 69 HG3 -0.00 0.13 0.03 -0.04 2.34 2.46 1od0A1 LYS 70 H -0.02 0.67 0.01 -0.55 8.42 8.52 1od0A1 LYS 70 HA -0.01 -0.00 0.42 -0.75 4.32 3.97 1od0A1 LYS 70 HB2 -0.01 -0.01 0.16 -0.04 1.87 1.96 1od0A1 LYS 70 HB3 -0.01 0.07 0.21 -0.04 1.79 2.02 1od0A1 LYS 70 HG2 0.03 -0.06 -0.08 -0.04 1.46 1.31 1od0A1 LYS 70 HG3 0.02 0.01 0.00 -0.04 1.46 1.45 1od0A1 LEU 71 H -0.01 0.53 -0.27 -0.55 8.37 8.07 1od0A1 LEU 71 HA 0.01 0.01 0.58 -0.75 4.35 4.20 1od0A1 LEU 71 HB2 0.01 0.09 0.11 -0.04 1.64 1.81 1od0A1 LEU 71 HB3 0.01 -0.07 0.12 -0.04 1.64 1.66 1od0A1 LEU 71 HG -0.01 0.13 0.03 -0.04 1.64 1.74 1od0A1 LEU 71 HD13 0.01 -0.05 -0.03 -0.04 0.93 0.82 1od0A1 LEU 71 HD23 -0.00 0.00 -0.06 -0.04 0.89 0.79 1od0A1 GLY 72 H -0.01 0.52 -0.49 -0.55 8.43 7.90 1od0A1 GLY 72 HA2 -0.01 0.12 0.33 -0.51 4.01 3.94 1od0A1 GLY 72 HA3 -0.04 -0.04 0.37 -0.51 4.01 3.79 1od0A1 VAL 73 H -0.00 0.19 -0.25 -0.55 8.24 7.63 1od0A1 VAL 73 HA -0.01 0.03 0.47 -0.75 4.13 3.86 1od0A1 VAL 73 HB 0.06 -0.02 0.04 -0.04 2.12 2.15 1od0A1 VAL 73 HG13 0.15 -0.04 -0.14 -0.04 0.97 0.89 1od0A1 VAL 73 HG23 0.09 -0.02 -0.11 -0.04 0.95 0.88 1od0A1 LYS 74 H 0.07 0.31 0.34 -0.55 8.42 8.58 1od0A1 LYS 74 HA 0.06 0.24 0.54 -0.75 4.32 4.41 1od0A1 LYS 74 HB2 0.06 -0.09 0.22 -0.04 1.87 2.02 1od0A1 LYS 74 HB3 0.06 0.00 0.19 -0.04 1.79 2.00 1od0A1 LYS 74 HG2 0.05 0.20 -0.02 -0.04 1.46 1.65 1od0A1 LYS 74 HG3 0.13 -0.08 0.20 -0.04 1.46 1.67 1od0A1 LYS 74 HD2 0.12 -0.01 0.09 -0.04 1.69 1.85 1od0A1 LYS 74 HD3 0.07 -0.01 0.06 -0.04 1.68 1.76 1od0A1 LYS 74 HE2 0.05 0.05 0.01 -0.04 2.99 3.07 1od0A1 LYS 74 HE3 0.27 -0.02 0.09 -0.04 2.99 3.29 1od0A1 ALA 75 H 0.04 0.26 0.15 -0.55 8.40 8.30 1od0A1 ALA 75 HA 0.18 0.17 0.89 -0.75 4.34 4.82 1od0A1 ALA 75 HB3 -0.09 -0.00 -0.22 -0.04 1.41 1.06 1od0A1 TYR 76 H 0.38 0.65 0.09 -0.55 8.29 8.86 1od0A1 TYR 76 HA 0.25 0.17 1.00 -0.75 4.56 5.23 1od0A1 TYR 76 HB2 0.14 0.04 -0.18 -0.04 3.06 3.02 1od0A1 TYR 76 HB3 0.21 0.02 -0.02 -0.04 2.98 3.15 1od0A1 TYR 76 HD2 0.06 0.10 -0.09 -0.04 7.15 7.18 1od0A1 TYR 76 HE2 -0.16 -0.08 -0.19 -0.04 6.85 6.39 1od0A1 ARG 77 H 0.35 0.71 0.32 -0.55 8.46 9.29 1od0A1 ARG 77 HA -0.18 0.37 1.05 -0.75 4.34 4.82 1od0A1 ARG 77 HB2 -1.04 0.02 -0.01 -0.04 1.90 0.84 1od0A1 ARG 77 HB3 -0.16 -0.09 0.18 -0.04 1.80 1.69 1od0A1 ARG 77 HG2 -0.16 -0.08 -0.25 -0.04 1.67 1.14 1od0A1 ARG 77 HG3 -0.31 0.10 -0.09 -0.04 1.67 1.33 1od0A1 ARG 77 HD2 -0.63 0.00 -0.13 -0.04 3.22 2.41 1od0A1 ARG 77 HD3 -0.26 0.12 -0.08 -0.04 3.22 2.96 1od0A1 PHE 78 H -0.57 0.65 0.31 -0.55 8.34 8.18 1od0A1 PHE 78 HA -0.24 0.10 0.67 -0.75 4.62 4.39 1od0A1 PHE 78 HB2 -0.19 -0.09 -0.02 -0.04 3.15 2.80 1od0A1 PHE 78 HB3 -1.17 0.03 -0.28 -0.04 3.06 1.60 1od0A1 PHE 78 HD2 -0.38 0.08 -0.30 -0.04 7.28 6.64 1od0A1 PHE 78 HE2 -0.13 0.01 -0.15 -0.04 7.38 7.07 1od0A1 PHE 78 HZ -0.23 0.04 -0.14 -0.04 7.32 6.95 1od0A1 SER 79 H 0.12 -0.01 0.06 -0.55 8.46 8.08 1od0A1 SER 79 HA -0.15 0.42 1.19 -0.75 4.49 5.19 1od0A1 SER 79 HB2 0.12 0.18 0.02 -0.04 3.95 4.22 1od0A1 SER 79 HB3 0.08 0.03 -0.02 -0.04 3.93 3.99 1od0A1 ILE 80 H 0.01 0.60 0.23 -0.55 8.25 8.54 1od0A1 ILE 80 HA -0.43 0.10 0.83 -0.75 4.18 3.93 1od0A1 ILE 80 HB -0.02 0.09 0.09 -0.04 1.89 2.01 1od0A1 ILE 80 HG12 -1.30 0.01 -0.10 -0.04 1.49 0.05 1od0A1 ILE 80 HG13 -0.39 -0.03 -0.31 -0.04 1.21 0.44 1od0A1 ILE 80 HG23 -0.01 -0.01 -0.24 -0.04 0.93 0.63 1od0A1 ILE 80 HD13 -0.19 0.02 -0.11 -0.04 0.88 0.57 1od0A1 SER 81 H 0.38 0.22 0.08 -0.55 8.46 8.59 1od0A1 SER 81 HA 0.34 0.01 0.66 -0.75 4.49 4.75 1od0A1 SER 81 HB2 0.34 -0.05 0.06 -0.04 3.95 4.26 1od0A1 SER 81 HB3 0.41 0.08 0.18 -0.04 3.93 4.56 1od0A1 TRP 82 H 0.47 0.20 0.20 -0.55 7.97 8.29 1od0A1 TRP 82 HA -0.31 0.07 0.44 -0.75 4.62 4.07 1od0A1 TRP 82 HB2 -0.11 0.04 0.18 -0.04 3.23 3.30 1od0A1 TRP 82 HB3 -0.01 0.05 0.18 -0.04 3.23 3.41 1od0A1 TRP 82 HD1 -0.38 -0.13 0.01 -0.04 7.22 6.67 1od0A1 TRP 82 HE1 -0.15 0.48 0.16 -0.04 10.20 10.65 1od0A1 TRP 82 HE3 0.41 -0.07 -0.01 -0.04 7.59 7.88 1od0A1 TRP 82 HZ2 0.16 0.07 -0.23 -0.04 7.44 7.40 1od0A1 TRP 82 HZ3 0.05 -0.03 -0.05 -0.04 7.13 7.06 1od0A1 TRP 82 HH2 0.18 -0.01 -0.13 -0.04 7.19 7.20 1od0A1 PRO 83 HA 0.05 0.24 0.32 -0.51 4.44 4.55 1od0A1 PRO 83 HB2 0.06 0.34 -0.15 -0.04 2.28 2.48 1od0A1 PRO 83 HB3 -0.00 0.00 -0.05 -0.04 2.02 1.92 1od0A1 PRO 83 HG2 0.17 -0.00 -0.10 -0.04 2.03 2.06 1od0A1 PRO 83 HG3 0.12 -0.07 -0.20 -0.04 2.03 1.84 1od0A1 PRO 83 HD2 0.30 -0.09 0.01 -0.04 3.68 3.87 1od0A1 PRO 83 HD3 0.13 0.13 0.10 -0.04 3.65 3.97 1od0A1 ARG 84 H 0.24 0.22 -0.40 -0.55 8.46 7.97 1od0A1 ARG 84 HA 0.13 0.09 0.65 -0.75 4.34 4.45 1od0A1 ARG 84 HB2 0.41 0.13 0.11 -0.04 1.90 2.51 1od0A1 ARG 84 HB3 0.29 -0.03 0.04 -0.04 1.80 2.05 1od0A1 ARG 84 HG2 0.06 0.10 0.02 -0.04 1.67 1.81 1od0A1 ARG 84 HG3 0.20 -0.13 0.03 -0.04 1.67 1.73 1od0A1 ARG 84 HD2 0.34 -0.05 0.04 -0.04 3.22 3.50 1od0A1 ARG 84 HD3 0.01 0.06 0.01 -0.04 3.22 3.26 1od0A1 ILE 85 H 0.28 0.36 -0.21 -0.55 8.25 8.13 1od0A1 ILE 85 HA 0.24 0.06 0.62 -0.75 4.18 4.35 1od0A1 ILE 85 HB 0.34 0.07 0.13 -0.04 1.89 2.39 1od0A1 ILE 85 HG12 0.40 0.12 -0.09 -0.04 1.49 1.89 1od0A1 ILE 85 HG13 0.41 -0.00 -0.12 -0.04 1.21 1.46 1od0A1 ILE 85 HG23 0.23 -0.00 -0.11 -0.04 0.93 1.01 1od0A1 ILE 85 HD13 0.49 -0.01 -0.35 -0.04 0.88 0.97 1od0A1 LEU 86 H 0.27 0.62 0.12 -0.55 8.37 8.83 1od0A1 LEU 86 HA 0.11 0.42 0.82 -0.75 4.35 4.95 1od0A1 LEU 86 HB2 0.35 -0.02 0.05 -0.04 1.64 1.98 1od0A1 LEU 86 HB3 0.13 -0.10 -0.37 -0.04 1.64 1.26 1od0A1 LEU 86 HG 0.15 0.11 -0.32 -0.04 1.64 1.54 1od0A1 LEU 86 HD13 0.26 -0.00 -0.09 -0.04 0.93 1.07 1od0A1 LEU 86 HD23 0.12 0.03 -0.44 -0.04 0.89 0.56 1od0A1 PRO 87 HA 0.01 0.06 0.59 -0.51 4.44 4.59 1od0A1 PRO 87 HB2 -0.00 -0.06 0.04 -0.04 2.28 2.22 1od0A1 PRO 87 HB3 0.00 0.07 0.06 -0.04 2.02 2.11 1od0A1 PRO 87 HG2 0.03 0.03 0.03 -0.04 2.03 2.08 1od0A1 PRO 87 HG3 0.05 0.15 0.07 -0.04 2.03 2.26 1od0A1 PRO 87 HD2 0.04 0.16 0.04 -0.04 3.68 3.88 1od0A1 PRO 87 HD3 0.08 0.20 -0.29 -0.04 3.65 3.60 1od0A1 GLU 88 H -0.03 0.22 -0.22 -0.55 8.60 8.02 1od0A1 GLU 88 HA -0.12 0.10 0.86 -0.75 4.29 4.38 1od0A1 GLU 88 HB2 -0.10 0.13 0.04 -0.04 2.09 2.12 1od0A1 GLU 88 HB3 -0.12 -0.02 0.17 -0.04 1.99 1.97 1od0A1 GLU 88 HG2 -0.04 0.01 0.02 -0.04 2.34 2.29 1od0A1 GLU 88 HG3 -0.05 0.01 0.03 -0.04 2.34 2.29 1od0A1 GLY 89 H -0.10 0.62 -0.43 -0.55 8.43 7.97 1od0A1 GLY 89 HA2 -0.42 0.03 0.32 -0.51 4.01 3.43 1od0A1 GLY 89 HA3 -0.46 0.01 0.42 -0.51 4.01 3.47 1od0A1 THR 90 H -0.16 0.34 -0.35 -0.55 8.28 7.55 1od0A1 THR 90 HA 0.12 0.25 0.62 -0.75 4.39 4.63 1od0A1 THR 90 HB 0.05 -0.05 0.11 -0.04 4.32 4.38 1od0A1 THR 90 HG23 -0.10 0.01 -0.13 -0.04 1.22 0.97 1od0A1 GLY 91 H 0.05 0.16 0.03 -0.55 8.43 8.12 1od0A1 GLY 91 HA2 0.02 0.03 0.31 -0.51 4.01 3.86 1od0A1 GLY 91 HA3 -0.00 0.04 0.55 -0.51 4.01 4.09 1od0A1 ARG 92 H 0.01 0.13 0.16 -0.55 8.46 8.20 1od0A1 ARG 92 HA 0.02 0.01 0.25 -0.75 4.34 3.87 1od0A1 ARG 92 HB2 0.01 -0.02 0.11 -0.04 1.90 1.96 1od0A1 ARG 92 HB3 0.01 -0.05 0.11 -0.04 1.80 1.83 1od0A1 ARG 92 HG2 0.03 0.03 -0.41 -0.04 1.67 1.28 1od0A1 ARG 92 HG3 0.02 0.02 -0.01 -0.04 1.67 1.67 1od0A1 ARG 92 HD2 0.02 0.01 -0.03 -0.04 3.22 3.18 1od0A1 ARG 92 HD3 0.01 -0.02 0.00 -0.04 3.22 3.17 1od0A1 VAL 93 H 0.03 0.09 0.20 -0.55 8.24 8.01 1od0A1 VAL 93 HA 0.08 0.38 0.99 -0.75 4.13 4.83 1od0A1 VAL 93 HB 0.03 -0.07 0.14 -0.04 2.12 2.18 1od0A1 VAL 93 HG13 0.05 -0.01 -0.15 -0.04 0.97 0.82 1od0A1 VAL 93 HG23 0.04 0.04 -0.05 -0.04 0.95 0.93 1od0A1 ASN 94 H 0.10 0.82 0.30 -0.55 8.53 9.20 1od0A1 ASN 94 HA 0.06 0.05 0.80 -0.75 4.76 4.92 1od0A1 ASN 94 HB2 0.07 0.03 0.01 -0.04 2.88 2.95 1od0A1 ASN 94 HB3 0.11 0.28 0.23 -0.04 2.79 3.37 1od0A1 ASN 94 HD21 0.07 0.26 0.03 -0.04 7.03 7.35 1od0A1 ASN 94 HD22 0.09 0.21 0.01 -0.04 7.74 8.01 1od0A1 GLN 95 H 0.06 0.26 0.18 -0.55 8.47 8.42 1od0A1 GLN 95 HA 0.08 0.08 0.38 -0.75 4.36 4.14 1od0A1 GLN 95 HB2 0.04 0.07 0.13 -0.04 2.15 2.36 1od0A1 GLN 95 HB3 0.05 -0.01 0.10 -0.04 2.02 2.12 1od0A1 GLN 95 HG2 0.04 0.03 0.01 -0.04 2.40 2.44 1od0A1 GLN 95 HG3 0.06 -0.03 -0.10 -0.04 2.39 2.28 1od0A1 GLN 95 HE21 0.05 0.07 -0.01 -0.04 6.97 7.04 1od0A1 GLN 95 HE22 0.07 -0.05 0.01 -0.04 7.69 7.68 1od0A1 LYS 96 H 0.08 0.12 -0.15 -0.55 8.42 7.92 1od0A1 LYS 96 HA 0.09 0.05 0.51 -0.75 4.32 4.21 1od0A1 LYS 96 HB2 0.08 0.17 0.12 -0.04 1.87 2.20 1od0A1 LYS 96 HB3 0.10 0.01 0.05 -0.04 1.79 1.91 1od0A1 LYS 96 HG2 0.06 0.01 0.03 -0.04 1.46 1.52 1od0A1 LYS 96 HG3 0.06 -0.04 0.05 -0.04 1.46 1.48 1od0A1 LYS 96 HD2 0.05 0.04 0.03 -0.04 1.69 1.78 1od0A1 LYS 96 HD3 0.06 -0.01 0.03 -0.04 1.68 1.73 1od0A1 LYS 96 HE2 0.04 -0.01 0.01 -0.04 2.99 3.00 1od0A1 LYS 96 HE3 0.04 0.00 0.01 -0.04 2.99 3.00 1od0A1 GLY 97 H 0.14 0.23 -0.18 -0.55 8.43 8.07 1od0A1 GLY 97 HA2 0.23 -0.01 0.53 -0.51 4.01 4.25 1od0A1 GLY 97 HA3 0.25 0.33 0.21 -0.51 4.01 4.29 1od0A1 LEU 98 H 0.21 0.43 -0.06 -0.55 8.37 8.40 1od0A1 LEU 98 HA 0.53 0.00 0.43 -0.75 4.35 4.57 1od0A1 LEU 98 HB2 0.13 0.11 0.15 -0.04 1.64 1.99 1od0A1 LEU 98 HB3 0.13 0.00 0.01 -0.04 1.64 1.74 1od0A1 LEU 98 HG 0.14 0.08 0.01 -0.04 1.64 1.82 1od0A1 LEU 98 HD13 -0.01 -0.01 -0.04 -0.04 0.93 0.83 1od0A1 LEU 98 HD23 0.01 -0.01 -0.06 -0.04 0.89 0.79 1od0A1 ASP 99 H 0.15 0.52 -0.17 -0.55 8.40 8.35 1od0A1 ASP 99 HA 0.08 0.01 0.35 -0.75 4.63 4.31 1od0A1 ASP 99 HB2 0.08 0.11 0.21 -0.04 2.71 3.06 1od0A1 ASP 99 HB3 0.03 -0.04 0.01 -0.04 2.70 2.66 1od0A1 PHE 100 H 0.15 0.51 -0.15 -0.55 8.34 8.29 1od0A1 PHE 100 HA -0.43 0.01 0.43 -0.75 4.62 3.87 1od0A1 PHE 100 HB2 -0.21 0.04 0.15 -0.04 3.15 3.09 1od0A1 PHE 100 HB3 -0.30 0.14 0.18 -0.04 3.06 3.03 1od0A1 PHE 100 HD2 -1.18 0.01 0.01 -0.04 7.28 6.07 1od0A1 PHE 100 HE2 -0.36 0.05 0.02 -0.04 7.38 7.05 1od0A1 PHE 100 HZ 0.08 -0.06 -0.17 -0.04 7.32 7.13 1od0A1 TYR 101 H 0.05 0.43 -0.14 -0.55 8.29 8.08 1od0A1 TYR 101 HA -0.50 0.01 0.56 -0.75 4.56 3.87 1od0A1 TYR 101 HB2 -0.08 0.10 0.07 -0.04 3.06 3.11 1od0A1 TYR 101 HB3 -0.38 -0.01 -0.01 -0.04 2.98 2.54 1od0A1 TYR 101 HD2 0.15 0.11 -0.05 -0.04 7.15 7.32 1od0A1 TYR 101 HE2 0.36 0.01 0.01 -0.04 6.85 7.20 1od0A1 ASN 102 H 0.13 0.67 -0.07 -0.55 8.53 8.72 1od0A1 ASN 102 HA 0.09 0.02 0.44 -0.75 4.76 4.56 1od0A1 ASN 102 HB2 0.13 0.09 0.17 -0.04 2.88 3.23 1od0A1 ASN 102 HB3 0.07 -0.04 -0.02 -0.04 2.79 2.76 1od0A1 ASN 102 HD21 0.14 0.03 -0.03 -0.04 7.03 7.12 1od0A1 ASN 102 HD22 0.16 -0.06 -0.13 -0.04 7.74 7.66 1od0A1 ARG 103 H -0.26 0.62 -0.12 -0.55 8.46 8.15 1od0A1 ARG 103 HA -0.17 0.01 0.43 -0.75 4.34 3.86 1od0A1 ARG 103 HB2 -0.79 0.16 0.15 -0.04 1.90 1.36 1od0A1 ARG 103 HB3 -0.81 -0.07 -0.02 -0.04 1.80 0.87 1od0A1 ARG 103 HG2 -0.07 -0.04 0.03 -0.04 1.67 1.55 1od0A1 ARG 103 HG3 -0.14 0.12 0.07 -0.04 1.67 1.68 1od0A1 ARG 103 HD2 0.13 -0.04 -0.00 -0.04 3.22 3.27 1od0A1 ARG 103 HD3 0.01 -0.04 -0.02 -0.04 3.22 3.13 1od0A1 ILE 104 H -0.76 0.40 -0.18 -0.55 8.25 7.16 1od0A1 ILE 104 HA -0.38 -0.01 0.41 -0.75 4.18 3.45 1od0A1 ILE 104 HB -0.59 0.09 0.14 -0.04 1.89 1.50 1od0A1 ILE 104 HG12 -0.34 -0.06 -0.04 -0.04 1.49 1.01 1od0A1 ILE 104 HG13 -1.38 0.02 0.01 -0.04 1.21 -0.18 1od0A1 ILE 104 HG23 -0.51 -0.01 -0.20 -0.04 0.93 0.16 1od0A1 ILE 104 HD13 -0.99 -0.01 -0.08 -0.04 0.88 -0.24 1od0A1 ILE 105 H -0.21 0.64 -0.16 -0.55 8.25 7.98 1od0A1 ILE 105 HA -0.01 0.01 0.36 -0.75 4.18 3.79 1od0A1 ILE 105 HB -0.04 0.10 0.20 -0.04 1.89 2.10 1od0A1 ILE 105 HG12 0.02 -0.04 -0.03 -0.04 1.49 1.40 1od0A1 ILE 105 HG13 -0.08 0.01 0.02 -0.04 1.21 1.13 1od0A1 ILE 105 HG23 0.04 -0.00 -0.12 -0.04 0.93 0.81 1od0A1 ILE 105 HD13 -0.51 -0.03 -0.13 -0.04 0.88 0.18 1od0A1 ASP 106 H -0.04 0.67 0.00 -0.55 8.40 8.48 1od0A1 ASP 106 HA 0.03 0.03 0.37 -0.75 4.63 4.31 1od0A1 ASP 106 HB2 -0.00 0.06 0.13 -0.04 2.71 2.86 1od0A1 ASP 106 HB3 0.03 -0.05 0.03 -0.04 2.70 2.66 1od0A1 THR 107 H 0.00 0.45 -0.33 -0.55 8.28 7.85 1od0A1 THR 107 HA 0.07 0.00 0.40 -0.75 4.39 4.12 1od0A1 THR 107 HB 0.16 0.10 0.10 -0.04 4.32 4.64 1od0A1 THR 107 HG23 0.12 -0.03 -0.07 -0.04 1.22 1.20 1od0A1 LEU 108 H 0.03 0.54 -0.09 -0.55 8.37 8.30 1od0A1 LEU 108 HA 0.06 -0.02 0.43 -0.75 4.35 4.06 1od0A1 LEU 108 HB2 0.08 0.12 0.18 -0.04 1.64 1.98 1od0A1 LEU 108 HB3 0.12 0.13 -0.08 -0.04 1.64 1.78 1od0A1 LEU 108 HG 0.05 0.10 0.04 -0.04 1.64 1.79 1od0A1 LEU 108 HD13 0.19 -0.04 -0.14 -0.04 0.93 0.91 1od0A1 LEU 108 HD23 0.13 -0.04 -0.12 -0.04 0.89 0.82 1od0A1 LEU 109 H 0.05 0.52 -0.03 -0.55 8.37 8.37 1od0A1 LEU 109 HA 0.05 0.10 0.38 -0.75 4.35 4.13 1od0A1 LEU 109 HB2 0.04 0.05 0.14 -0.04 1.64 1.83 1od0A1 LEU 109 HB3 0.04 -0.04 -0.03 -0.04 1.64 1.58 1od0A1 LEU 109 HG 0.05 -0.02 0.04 -0.04 1.64 1.67 1od0A1 LEU 109 HD13 0.05 0.00 0.04 -0.04 0.93 0.99 1od0A1 LEU 109 HD23 0.05 0.04 -0.04 -0.04 0.89 0.90 1od0A1 GLU 110 H 0.04 0.55 -0.15 -0.55 8.60 8.49 1od0A1 GLU 110 HA 0.03 -0.03 0.48 -0.75 4.29 4.01 1od0A1 GLU 110 HB2 0.04 0.19 0.25 -0.04 2.09 2.54 1od0A1 GLU 110 HB3 0.03 0.01 -0.02 -0.04 1.99 1.97 1od0A1 GLU 110 HG2 0.03 -0.04 0.05 -0.04 2.34 2.33 1od0A1 GLU 110 HG3 0.03 -0.02 0.05 -0.04 2.34 2.36 1od0A1 LYS 111 H 0.04 0.44 -0.31 -0.55 8.42 8.03 1od0A1 LYS 111 HA 0.02 0.08 0.64 -0.75 4.32 4.31 1od0A1 LYS 111 HB2 0.03 0.04 0.09 -0.04 1.87 1.98 1od0A1 LYS 111 HB3 0.01 -0.07 0.14 -0.04 1.79 1.84 1od0A1 LYS 111 HG2 0.01 -0.06 -0.06 -0.04 1.46 1.31 1od0A1 LYS 111 HG3 0.03 0.12 0.01 -0.04 1.46 1.58 1od0A1 LYS 111 HD2 0.02 0.01 -0.12 -0.04 1.69 1.56 1od0A1 LYS 111 HD3 -0.01 -0.06 -0.07 -0.04 1.68 1.51 1od0A1 LYS 111 HE2 0.01 0.01 -0.03 -0.04 2.99 2.95 1od0A1 LYS 111 HE3 -0.02 -0.09 -0.06 -0.04 2.99 2.78 1od0A1 GLY 112 H 0.04 0.40 -0.50 -0.55 8.43 7.81 1od0A1 GLY 112 HA2 0.04 0.01 0.27 -0.51 4.01 3.82 1od0A1 GLY 112 HA3 0.04 -0.01 0.37 -0.51 4.01 3.89 1od0A1 ILE 113 H 0.06 0.53 -0.20 -0.55 8.25 8.08 1od0A1 ILE 113 HA 0.08 0.32 0.82 -0.75 4.18 4.66 1od0A1 ILE 113 HB 0.10 -0.15 -0.05 -0.04 1.89 1.74 1od0A1 ILE 113 HG12 0.05 0.26 -0.20 -0.04 1.49 1.55 1od0A1 ILE 113 HG13 0.04 0.12 -0.41 -0.04 1.21 0.92 1od0A1 ILE 113 HG23 0.15 -0.04 -0.43 -0.04 0.93 0.58 1od0A1 ILE 113 HD13 0.02 -0.07 -0.14 -0.04 0.88 0.64 1od0A1 THR 114 H 0.13 0.73 0.29 -0.55 8.28 8.88 1od0A1 THR 114 HA 0.10 0.16 0.62 -0.75 4.39 4.53 1od0A1 THR 114 HB 0.21 -0.08 0.18 -0.04 4.32 4.59 1od0A1 THR 114 HG23 0.15 -0.01 -0.17 -0.04 1.22 1.15 1od0A1 PRO 115 HA 0.25 0.15 0.64 -0.51 4.44 4.96 1od0A1 PRO 115 HB2 -0.07 -0.06 -0.03 -0.04 2.28 2.08 1od0A1 PRO 115 HB3 0.25 -0.01 0.05 -0.04 2.02 2.26 1od0A1 PRO 115 HG2 -0.06 -0.04 0.18 -0.04 2.03 2.07 1od0A1 PRO 115 HG3 0.05 0.06 0.09 -0.04 2.03 2.18 1od0A1 PRO 115 HD2 0.03 0.08 0.27 -0.04 3.68 4.02 1od0A1 PRO 115 HD3 0.09 0.41 0.30 -0.04 3.65 4.40 1od0A1 PHE 116 H 0.18 0.64 0.27 -0.55 8.34 8.88 1od0A1 PHE 116 HA -0.32 0.29 0.77 -0.75 4.62 4.61 1od0A1 PHE 116 HB2 -0.22 -0.02 -0.03 -0.04 3.15 2.84 1od0A1 PHE 116 HB3 -0.42 -0.10 -0.14 -0.04 3.06 2.36 1od0A1 PHE 116 HD2 -0.22 -0.01 -0.37 -0.04 7.28 6.64 1od0A1 PHE 116 HE2 -0.80 0.02 -0.21 -0.04 7.38 6.35 1od0A1 PHE 116 HZ -0.47 0.06 -0.17 -0.04 7.32 6.70 1od0A1 VAL 117 H -0.64 0.62 0.15 -0.55 8.24 7.81 1od0A1 VAL 117 HA -0.91 0.26 0.81 -0.75 4.13 3.54 1od0A1 VAL 117 HB -1.25 0.05 0.08 -0.04 2.12 0.96 1od0A1 VAL 117 HG13 -0.47 -0.04 -0.28 -0.04 0.97 0.15 1od0A1 VAL 117 HG23 -1.03 0.01 -0.18 -0.04 0.95 -0.29 1od0A1 THR 118 H -0.34 0.71 0.28 -0.55 8.28 8.38 1od0A1 THR 118 HA -0.02 0.17 0.82 -0.75 4.39 4.60 1od0A1 THR 118 HB 0.01 -0.14 -0.05 -0.04 4.32 4.10 1od0A1 THR 118 HG23 0.06 -0.05 -0.40 -0.04 1.22 0.79 1od0A1 ILE 119 H 0.14 0.88 0.27 -0.55 8.25 8.99 1od0A1 ILE 119 HA 0.08 0.00 0.45 -0.75 4.18 3.96 1od0A1 ILE 119 HB 0.23 0.21 0.36 -0.04 1.89 2.65 1od0A1 ILE 119 HG12 -0.00 -0.04 -0.01 -0.04 1.49 1.40 1od0A1 ILE 119 HG13 0.35 0.03 -0.02 -0.04 1.21 1.52 1od0A1 ILE 119 HG23 -0.34 -0.03 -0.10 -0.04 0.93 0.41 1od0A1 ILE 119 HD13 0.05 -0.01 -0.10 -0.04 0.88 0.79 1od0A1 TYR 120 H 0.37 0.46 0.07 -0.55 8.29 8.64 1od0A1 TYR 120 HA 0.48 0.15 1.08 -0.75 4.56 5.53 1od0A1 TYR 120 HB2 0.79 0.09 -0.03 -0.04 3.06 3.87 1od0A1 TYR 120 HB3 0.33 0.06 0.26 -0.04 2.98 3.58 1od0A1 TYR 120 HD2 0.54 0.09 -0.02 -0.04 7.15 7.71 1od0A1 TYR 120 HE2 0.39 0.04 -0.15 -0.04 6.85 7.09 1od0A1 HIS 121 H 0.11 0.22 -0.04 -0.55 8.41 8.15 1od0A1 HIS 121 HA -0.23 0.27 0.83 -0.75 4.63 4.74 1od0A1 HIS 121 HB2 -0.07 0.09 -0.12 -0.04 3.26 3.12 1od0A1 HIS 121 HB3 -0.05 -0.17 0.15 -0.04 3.20 3.09 1od0A1 HIS 121 HD2 -1.32 -0.02 -0.06 -0.04 6.97 5.53 1od0A1 HIS 121 HE1 -0.29 0.08 -0.16 -0.04 7.75 7.33 1od0A1 TRP 122 H -1.15 0.17 -0.19 -0.55 7.97 6.25 1od0A1 TRP 122 HA -0.34 0.10 0.24 -0.75 4.62 3.88 1od0A1 TRP 122 HB2 -0.35 0.15 0.00 -0.04 3.23 2.99 1od0A1 TRP 122 HB3 -0.07 0.01 0.03 -0.04 3.23 3.16 1od0A1 TRP 122 HD1 -0.30 -0.05 -0.14 -0.04 7.22 6.69 1od0A1 TRP 122 HE1 -0.31 0.49 -0.06 -0.04 10.20 10.28 1od0A1 TRP 122 HE3 -2.55 -0.05 -0.09 -0.04 7.59 4.87 1od0A1 TRP 122 HZ2 -0.22 -0.01 -0.12 -0.04 7.44 7.05 1od0A1 TRP 122 HZ3 -2.01 -0.02 -0.09 -0.04 7.13 4.96 1od0A1 TRP 122 HH2 -0.21 0.01 -0.10 -0.04 7.19 6.84 1od0A1 ASP 123 H 0.18 0.12 -0.30 -0.55 8.40 7.84 1od0A1 ASP 123 HA 0.44 0.11 0.87 -0.75 4.63 5.29 1od0A1 ASP 123 HB2 0.30 0.03 0.16 -0.04 2.71 3.15 1od0A1 ASP 123 HB3 0.33 -0.01 0.07 -0.04 2.70 3.05 1od0A1 LEU 124 H 0.51 0.37 -0.27 -0.55 8.37 8.43 1od0A1 LEU 124 HA 0.29 0.14 0.42 -0.75 4.35 4.44 1od0A1 LEU 124 HB2 0.52 0.03 0.02 -0.04 1.64 2.17 1od0A1 LEU 124 HB3 0.18 -0.08 0.01 -0.04 1.64 1.70 1od0A1 LEU 124 HG -0.33 0.21 -0.18 -0.04 1.64 1.29 1od0A1 LEU 124 HD13 -0.66 0.01 -0.03 -0.04 0.93 0.21 1od0A1 LEU 124 HD23 -0.17 -0.02 -0.12 -0.04 0.89 0.53 1od0A1 PRO 125 HA -0.09 0.23 0.62 -0.51 4.44 4.70 1od0A1 PRO 125 HB2 -0.52 -0.20 -0.01 -0.04 2.28 1.50 1od0A1 PRO 125 HB3 -0.30 0.24 0.03 -0.04 2.02 1.94 1od0A1 PRO 125 HG2 -1.65 0.09 0.06 -0.04 2.03 0.49 1od0A1 PRO 125 HG3 -0.65 0.08 -0.04 -0.04 2.03 1.37 1od0A1 PRO 125 HD2 -1.27 0.07 0.18 -0.04 3.68 2.62 1od0A1 PRO 125 HD3 -0.68 0.13 0.25 -0.04 3.65 3.31 1od0A1 PHE 126 H 0.12 0.65 0.24 -0.55 8.34 8.79 1od0A1 PHE 126 HA -0.09 0.00 0.36 -0.75 4.62 4.14 1od0A1 PHE 126 HB2 -0.02 -0.03 -0.34 -0.04 3.15 2.72 1od0A1 PHE 126 HB3 -0.06 0.06 -0.03 -0.04 3.06 2.99 1od0A1 PHE 126 HD2 -0.04 -0.03 -0.11 -0.04 7.28 7.06 1od0A1 PHE 126 HE2 -0.02 0.06 -0.06 -0.04 7.38 7.31 1od0A1 PHE 126 HZ -0.02 0.07 -0.05 -0.04 7.32 7.28 1od0A1 ALA 127 H -0.10 0.20 -0.24 -0.55 8.40 7.71 1od0A1 ALA 127 HA -0.25 0.07 0.35 -0.75 4.34 3.76 1od0A1 ALA 127 HB3 -0.19 0.04 0.05 -0.04 1.41 1.26 1od0A1 LEU 128 H -0.42 0.24 -0.36 -0.55 8.37 7.28 1od0A1 LEU 128 HA -0.68 0.15 0.62 -0.75 4.35 3.69 1od0A1 LEU 128 HB2 -0.56 0.10 0.02 -0.04 1.64 1.16 1od0A1 LEU 128 HB3 -0.49 -0.04 -0.02 -0.04 1.64 1.05 1od0A1 LEU 128 HG -0.71 -0.03 -0.07 -0.04 1.64 0.80 1od0A1 LEU 128 HD13 -0.77 0.01 -0.05 -0.04 0.93 0.08 1od0A1 LEU 128 HD23 -1.28 0.01 -0.10 -0.04 0.89 -0.52 1od0A1 GLN 129 H -0.33 0.34 -0.21 -0.55 8.47 7.72 1od0A1 GLN 129 HA -0.15 -0.04 0.39 -0.75 4.36 3.81 1od0A1 GLN 129 HB2 -0.14 -0.07 0.03 -0.04 2.15 1.93 1od0A1 GLN 129 HB3 -0.41 0.16 0.11 -0.04 2.02 1.83 1od0A1 GLN 129 HG2 -0.05 -0.00 -0.02 -0.04 2.40 2.29 1od0A1 GLN 129 HG3 -0.15 0.07 -0.15 -0.04 2.39 2.12 1od0A1 GLN 129 HE21 0.06 0.03 -0.11 -0.04 6.97 6.91 1od0A1 GLN 129 HE22 -0.03 0.06 -0.05 -0.04 7.69 7.62 1od0A1 LEU 130 H -0.47 0.41 -0.25 -0.55 8.37 7.51 1od0A1 LEU 130 HA -0.25 0.06 0.38 -0.75 4.35 3.78 1od0A1 LEU 130 HB2 -0.29 0.20 0.05 -0.04 1.64 1.56 1od0A1 LEU 130 HB3 -0.20 -0.01 0.05 -0.04 1.64 1.43 1od0A1 LEU 130 HG -0.82 0.16 0.01 -0.04 1.64 0.95 1od0A1 LEU 130 HD13 -0.13 -0.01 -0.02 -0.04 0.93 0.73 1od0A1 LEU 130 HD23 -0.44 -0.01 -0.04 -0.04 0.89 0.36 1od0A1 LYS 131 H -0.21 0.20 -0.65 -0.55 8.42 7.21 1od0A1 LYS 131 HA -0.02 0.19 0.83 -0.75 4.32 4.57 1od0A1 LYS 131 HB2 -0.17 0.03 0.12 -0.04 1.87 1.81 1od0A1 LYS 131 HB3 0.17 -0.06 0.19 -0.04 1.79 2.05 1od0A1 LYS 131 HG2 -0.07 -0.02 0.01 -0.04 1.46 1.34 1od0A1 LYS 131 HG3 -0.16 -0.01 -0.16 -0.04 1.46 1.09 1od0A1 LYS 131 HD2 -0.50 0.14 0.05 -0.04 1.69 1.33 1od0A1 LYS 131 HD3 -0.52 -0.07 0.01 -0.04 1.68 1.05 1od0A1 LYS 131 HE2 -0.15 -0.01 -0.02 -0.04 2.99 2.76 1od0A1 LYS 131 HE3 -0.27 0.03 -0.02 -0.04 2.99 2.70 1od0A1 GLY 132 H -0.05 0.58 -0.40 -0.55 8.43 8.01 1od0A1 GLY 132 HA2 0.01 0.04 0.26 -0.51 4.01 3.81 1od0A1 GLY 132 HA3 0.05 0.12 0.60 -0.51 4.01 4.27 1od0A1 GLY 133 H 0.06 0.51 -0.13 -0.55 8.43 8.32 1od0A1 GLY 133 HA2 -0.10 0.02 0.09 -0.51 4.01 3.51 1od0A1 GLY 133 HA3 -0.08 -0.04 0.31 -0.51 4.01 3.69 1od0A1 TRP 134 H 0.06 0.14 0.15 -0.55 7.97 7.77 1od0A1 TRP 134 HA -0.06 0.08 0.29 -0.75 4.62 4.17 1od0A1 TRP 134 HB2 -0.23 0.04 0.04 -0.04 3.23 3.04 1od0A1 TRP 134 HB3 -0.18 0.05 0.07 -0.04 3.23 3.12 1od0A1 TRP 134 HD1 0.14 0.06 -0.01 -0.04 7.22 7.37 1od0A1 TRP 134 HE1 0.10 -0.08 -0.05 -0.04 10.20 10.12 1od0A1 TRP 134 HE3 -0.12 0.04 -0.16 -0.04 7.59 7.31 1od0A1 TRP 134 HZ2 -1.37 -0.07 -0.06 -0.04 7.44 5.90 1od0A1 TRP 134 HZ3 -0.25 0.07 -0.15 -0.04 7.13 6.75 1od0A1 TRP 134 HH2 -0.81 0.03 -0.07 -0.04 7.19 6.29 1od0A1 ALA 135 H 0.05 0.40 -0.33 -0.55 8.40 7.97 1od0A1 ALA 135 HA 0.01 0.08 0.43 -0.75 4.34 4.10 1od0A1 ALA 135 HB3 0.03 0.02 0.06 -0.04 1.41 1.48 1od0A1 ASN 136 H -0.05 0.45 -0.46 -0.55 8.53 7.92 1od0A1 ASN 136 HA -0.05 0.08 0.68 -0.75 4.76 4.72 1od0A1 ASN 136 HB2 0.03 0.14 0.07 -0.04 2.88 3.09 1od0A1 ASN 136 HB3 -0.24 0.01 0.06 -0.04 2.79 2.57 1od0A1 ASN 136 HD21 0.15 -0.08 0.04 -0.04 7.03 7.09 1od0A1 ASN 136 HD22 0.23 0.69 0.19 -0.04 7.74 8.80 1od0A1 ARG 137 H -0.07 0.23 0.17 -0.55 8.46 8.23 1od0A1 ARG 137 HA -0.07 0.12 0.36 -0.75 4.34 3.99 1od0A1 ARG 137 HB2 -0.06 -0.02 0.14 -0.04 1.90 1.93 1od0A1 ARG 137 HB3 -0.06 0.01 -0.04 -0.04 1.80 1.67 1od0A1 ARG 137 HG2 0.04 0.02 0.06 -0.04 1.67 1.76 1od0A1 ARG 137 HG3 0.03 0.06 0.08 -0.04 1.67 1.79 1od0A1 ARG 137 HD2 0.05 0.00 0.01 -0.04 3.22 3.24 1od0A1 ARG 137 HD3 0.01 -0.01 0.02 -0.04 3.22 3.20 1od0A1 GLU 138 H -0.33 0.10 -0.36 -0.55 8.60 7.46 1od0A1 GLU 138 HA -0.38 0.07 0.46 -0.75 4.29 3.68 1od0A1 GLU 138 HB2 -0.55 0.07 -0.00 -0.04 2.09 1.57 1od0A1 GLU 138 HB3 -0.51 -0.02 0.06 -0.04 1.99 1.49 1od0A1 GLU 138 HG2 -0.10 0.02 0.02 -0.04 2.34 2.24 1od0A1 GLU 138 HG3 -0.13 -0.05 0.01 -0.04 2.34 2.13 1od0A1 ILE 139 H -0.81 0.77 -0.35 -0.55 8.25 7.31 1od0A1 ILE 139 HA -1.03 -0.05 0.44 -0.75 4.18 2.80 1od0A1 ILE 139 HB -0.58 0.22 0.01 -0.04 1.89 1.51 1od0A1 ILE 139 HG12 -0.61 -0.01 -0.11 -0.04 1.49 0.71 1od0A1 ILE 139 HG13 0.10 -0.09 0.02 -0.04 1.21 1.20 1od0A1 ILE 139 HG23 -0.08 0.04 -0.15 -0.04 0.93 0.70 1od0A1 ILE 139 HD13 -1.31 -0.02 -0.26 -0.04 0.88 -0.76 1od0A1 ALA 140 H -0.22 0.44 -0.25 -0.55 8.40 7.82 1od0A1 ALA 140 HA 0.09 0.01 0.49 -0.75 4.34 4.18 1od0A1 ALA 140 HB3 -0.02 0.04 -0.02 -0.04 1.41 1.36 1od0A1 ASP 141 H -0.20 0.23 -0.18 -0.55 8.40 7.70 1od0A1 ASP 141 HA 0.04 0.10 0.56 -0.75 4.63 4.57 1od0A1 ASP 141 HB2 -0.10 0.12 0.15 -0.04 2.71 2.83 1od0A1 ASP 141 HB3 0.09 -0.02 -0.01 -0.04 2.70 2.72 1od0A1 TRP 142 H -0.20 0.46 0.01 -0.55 7.97 7.69 1od0A1 TRP 142 HA 0.16 0.02 0.41 -0.75 4.62 4.46 1od0A1 TRP 142 HB2 0.25 0.05 0.09 -0.04 3.23 3.57 1od0A1 TRP 142 HB3 0.31 0.00 -0.03 -0.04 3.23 3.47 1od0A1 TRP 142 HD1 0.05 -0.05 -0.07 -0.04 7.22 7.11 1od0A1 TRP 142 HE1 -0.01 -0.01 -0.05 -0.04 10.20 10.09 1od0A1 TRP 142 HE3 -0.24 -0.03 -0.06 -0.04 7.59 7.22 1od0A1 TRP 142 HZ2 -0.06 0.01 -0.04 -0.04 7.44 7.31 1od0A1 TRP 142 HZ3 -0.27 -0.03 -0.06 -0.04 7.13 6.73 1od0A1 TRP 142 HH2 -0.12 0.20 -0.05 -0.04 7.19 7.18 1od0A1 PHE 143 H 0.42 0.75 -0.16 -0.55 8.34 8.81 1od0A1 PHE 143 HA -0.15 -0.03 0.37 -0.75 4.62 4.06 1od0A1 PHE 143 HB2 0.21 0.03 0.08 -0.04 3.15 3.43 1od0A1 PHE 143 HB3 0.10 0.11 0.10 -0.04 3.06 3.32 1od0A1 PHE 143 HD2 -0.07 0.11 -0.10 -0.04 7.28 7.18 1od0A1 PHE 143 HE2 0.15 -0.01 -0.08 -0.04 7.38 7.39 1od0A1 PHE 143 HZ 0.11 0.12 0.00 -0.04 7.32 7.52 1od0A1 ALA 144 H 0.15 0.42 -0.27 -0.55 8.40 8.15 1od0A1 ALA 144 HA -0.10 0.02 0.38 -0.75 4.34 3.88 1od0A1 ALA 144 HB3 0.03 0.05 0.11 -0.04 1.41 1.56 1od0A1 GLU 145 H 0.08 0.56 -0.18 -0.55 8.60 8.52 1od0A1 GLU 145 HA -0.02 0.03 0.40 -0.75 4.29 3.94 1od0A1 GLU 145 HB2 0.10 -0.02 0.10 -0.04 2.09 2.23 1od0A1 GLU 145 HB3 0.18 0.12 0.20 -0.04 1.99 2.44 1od0A1 GLU 145 HG2 0.09 0.05 -0.29 -0.04 2.34 2.15 1od0A1 GLU 145 HG3 0.04 -0.01 0.02 -0.04 2.34 2.35 1od0A1 TYR 146 H 0.01 0.57 -0.06 -0.55 8.29 8.25 1od0A1 TYR 146 HA -0.24 0.00 0.45 -0.75 4.56 4.02 1od0A1 TYR 146 HB2 -0.64 0.07 0.15 -0.04 3.06 2.59 1od0A1 TYR 146 HB3 -0.97 0.10 0.22 -0.04 2.98 2.28 1od0A1 TYR 146 HD2 -1.00 -0.00 0.02 -0.04 7.15 6.13 1od0A1 TYR 146 HE2 -0.04 0.02 -0.06 -0.04 6.85 6.72 1od0A1 SER 147 H -0.67 0.76 -0.06 -0.55 8.46 7.94 1od0A1 SER 147 HA -1.23 -0.06 0.36 -0.75 4.49 2.81 1od0A1 SER 147 HB2 -0.56 0.13 0.20 -0.04 3.95 3.69 1od0A1 SER 147 HB3 -0.91 -0.00 0.03 -0.04 3.93 3.01 1od0A1 ARG 148 H -0.37 0.61 -0.19 -0.55 8.46 7.95 1od0A1 ARG 148 HA -0.18 0.02 0.38 -0.75 4.34 3.80 1od0A1 ARG 148 HB2 -0.11 0.13 0.13 -0.04 1.90 2.01 1od0A1 ARG 148 HB3 -0.12 0.12 0.10 -0.04 1.80 1.86 1od0A1 ARG 148 HG2 -0.06 -0.03 -0.12 -0.04 1.67 1.41 1od0A1 ARG 148 HG3 -0.04 0.00 0.02 -0.04 1.67 1.62 1od0A1 ARG 148 HD2 -0.02 0.01 -0.02 -0.04 3.22 3.15 1od0A1 ARG 148 HD3 -0.03 -0.01 -0.02 -0.04 3.22 3.11 1od0A1 VAL 149 H -0.23 0.50 -0.17 -0.55 8.24 7.78 1od0A1 VAL 149 HA -0.12 0.01 0.43 -0.75 4.13 3.70 1od0A1 VAL 149 HB -0.07 0.16 0.17 -0.04 2.12 2.33 1od0A1 VAL 149 HG13 -0.03 -0.03 -0.15 -0.04 0.97 0.71 1od0A1 VAL 149 HG23 -0.01 0.04 0.02 -0.04 0.95 0.96 1od0A1 LEU 150 H -0.45 0.49 -0.14 -0.55 8.37 7.72 1od0A1 LEU 150 HA -0.06 -0.03 0.34 -0.75 4.35 3.85 1od0A1 LEU 150 HB2 -0.68 0.17 0.13 -0.04 1.64 1.22 1od0A1 LEU 150 HB3 0.35 -0.04 -0.05 -0.04 1.64 1.85 1od0A1 LEU 150 HG -0.70 0.15 -0.02 -0.04 1.64 1.04 1od0A1 LEU 150 HD13 -0.21 -0.02 -0.05 -0.04 0.93 0.62 1od0A1 LEU 150 HD23 0.28 -0.03 -0.08 -0.04 0.89 1.02 1od0A1 PHE 151 H -0.74 0.64 -0.07 -0.55 8.34 7.63 1od0A1 PHE 151 HA -0.41 0.00 0.39 -0.75 4.62 3.85 1od0A1 PHE 151 HB2 -0.27 0.07 0.07 -0.04 3.15 2.98 1od0A1 PHE 151 HB3 -0.34 0.00 -0.09 -0.04 3.06 2.60 1od0A1 PHE 151 HD2 -1.06 -0.03 -0.21 -0.04 7.28 5.94 1od0A1 PHE 151 HE2 -0.79 0.02 -0.09 -0.04 7.38 6.47 1od0A1 PHE 151 HZ -0.38 -0.06 -0.10 -0.04 7.32 6.73 1od0A1 GLU 152 H -0.08 0.65 -0.14 -0.55 8.60 8.49 1od0A1 GLU 152 HA -0.02 0.06 0.35 -0.75 4.29 3.92 1od0A1 GLU 152 HB2 -0.09 0.08 0.17 -0.04 2.09 2.21 1od0A1 GLU 152 HB3 -0.05 -0.08 0.00 -0.04 1.99 1.82 1od0A1 GLU 152 HG2 -0.04 0.09 0.07 -0.04 2.34 2.41 1od0A1 GLU 152 HG3 -0.05 -0.09 -0.01 -0.04 2.34 2.15 1od0A1 ASN 153 H -0.18 0.47 -0.19 -0.55 8.53 8.08 1od0A1 ASN 153 HA -0.14 0.10 0.66 -0.75 4.76 4.62 1od0A1 ASN 153 HB2 -0.75 0.08 0.11 -0.04 2.88 2.28 1od0A1 ASN 153 HB3 -0.77 -0.08 -0.01 -0.04 2.79 1.88 1od0A1 ASN 153 HD21 -0.11 -0.11 -0.00 -0.04 7.03 6.77 1od0A1 ASN 153 HD22 -0.20 0.56 0.11 -0.04 7.74 8.17 1od0A1 PHE 154 H 0.09 0.69 0.05 -0.55 8.34 8.62 1od0A1 PHE 154 HA 0.16 0.19 1.01 -0.75 4.62 5.22 1od0A1 PHE 154 HB2 0.55 0.11 -0.00 -0.04 3.15 3.77 1od0A1 PHE 154 HB3 0.19 -0.09 0.09 -0.04 3.06 3.21 1od0A1 PHE 154 HD2 0.21 0.04 -0.06 -0.04 7.28 7.43 1od0A1 PHE 154 HE2 0.12 -0.02 -0.06 -0.04 7.38 7.38 1od0A1 PHE 154 HZ 0.23 -0.04 0.02 -0.04 7.32 7.50 1od0A1 GLY 155 H 0.27 0.55 0.06 -0.55 8.43 8.76 1od0A1 GLY 155 HA2 0.66 0.16 0.34 -0.51 4.01 4.66 1od0A1 GLY 155 HA3 0.20 0.12 0.37 -0.51 4.01 4.18 1od0A1 ASP 156 H 0.15 0.08 -0.39 -0.55 8.40 7.70 1od0A1 ASP 156 HA 0.07 0.08 0.56 -0.75 4.63 4.59 1od0A1 ASP 156 HB2 0.06 -0.03 0.04 -0.04 2.71 2.74 1od0A1 ASP 156 HB3 0.06 0.02 0.04 -0.04 2.70 2.78 1od0A1 ARG 157 H 0.20 0.32 -0.21 -0.55 8.46 8.21 1od0A1 ARG 157 HA 0.08 0.20 0.89 -0.75 4.34 4.76 1od0A1 ARG 157 HB2 0.14 -0.00 0.05 -0.04 1.90 2.05 1od0A1 ARG 157 HB3 0.08 -0.02 -0.06 -0.04 1.80 1.76 1od0A1 ARG 157 HG2 0.07 0.01 -0.05 -0.04 1.67 1.65 1od0A1 ARG 157 HG3 0.09 0.00 -0.39 -0.04 1.67 1.33 1od0A1 ARG 157 HD2 0.09 -0.04 -0.06 -0.04 3.22 3.17 1od0A1 ARG 157 HD3 0.08 -0.03 -0.06 -0.04 3.22 3.17 1od0A1 VAL 158 H 0.22 0.60 0.23 -0.55 8.24 8.74 1od0A1 VAL 158 HA -0.08 0.13 0.87 -0.75 4.13 4.29 1od0A1 VAL 158 HB -0.01 -0.00 -0.02 -0.04 2.12 2.05 1od0A1 VAL 158 HG13 -1.11 -0.01 -0.15 -0.04 0.97 -0.34 1od0A1 VAL 158 HG23 -0.17 -0.01 -0.01 -0.04 0.95 0.71 1od0A1 LYS 159 H -0.09 0.16 0.18 -0.55 8.42 8.12 1od0A1 LYS 159 HA 0.35 0.23 0.93 -0.75 4.32 5.08 1od0A1 LYS 159 HB2 0.02 -0.01 0.02 -0.04 1.87 1.85 1od0A1 LYS 159 HB3 0.10 0.05 0.19 -0.04 1.79 2.09 1od0A1 LYS 159 HG2 0.08 0.02 -0.50 -0.04 1.46 1.02 1od0A1 LYS 159 HG3 0.06 -0.01 -0.10 -0.04 1.46 1.36 1od0A1 LYS 159 HD2 0.08 0.02 -0.23 -0.04 1.69 1.53 1od0A1 LYS 159 HD3 0.17 0.23 -0.32 -0.04 1.68 1.71 1od0A1 LYS 159 HE2 0.08 0.08 -0.33 -0.04 2.99 2.78 1od0A1 LYS 159 HE3 0.05 -0.09 -0.09 -0.04 2.99 2.82 1od0A1 ASN 160 H -0.39 0.14 0.11 -0.55 8.53 7.84 1od0A1 ASN 160 HA -0.19 0.28 0.98 -0.75 4.76 5.08 1od0A1 ASN 160 HB2 -1.26 0.10 0.19 -0.04 2.88 1.86 1od0A1 ASN 160 HB3 -1.78 -0.05 -0.04 -0.04 2.79 0.88 1od0A1 ASN 160 HD21 -0.15 0.06 -0.12 -0.04 7.03 6.78 1od0A1 ASN 160 HD22 -0.36 0.05 -0.05 -0.04 7.74 7.34 1od0A1 TRP 161 H 0.12 0.64 0.29 -0.55 7.97 8.47 1od0A1 TRP 161 HA -0.13 0.18 0.90 -0.75 4.62 4.82 1od0A1 TRP 161 HB2 -0.50 0.05 0.02 -0.04 3.23 2.77 1od0A1 TRP 161 HB3 -0.11 -0.05 -0.07 -0.04 3.23 2.95 1od0A1 TRP 161 HD1 0.06 0.11 -0.43 -0.04 7.22 6.91 1od0A1 TRP 161 HE1 0.18 0.48 -0.21 -0.04 10.20 10.61 1od0A1 TRP 161 HE3 0.04 -0.02 -0.09 -0.04 7.59 7.48 1od0A1 TRP 161 HZ2 0.26 0.04 -0.35 -0.04 7.44 7.36 1od0A1 TRP 161 HZ3 -0.06 -0.08 -0.14 -0.04 7.13 6.82 1od0A1 TRP 161 HH2 0.32 0.02 -0.26 -0.04 7.19 7.23 1od0A1 ILE 162 H 0.11 0.70 0.28 -0.55 8.25 8.79 1od0A1 ILE 162 HA -0.02 0.18 0.66 -0.75 4.18 4.25 1od0A1 ILE 162 HB 0.00 -0.00 -0.03 -0.04 1.89 1.82 1od0A1 ILE 162 HG12 0.16 -0.04 -0.30 -0.04 1.49 1.27 1od0A1 ILE 162 HG13 0.27 0.07 -0.67 -0.04 1.21 0.85 1od0A1 ILE 162 HG23 -0.05 -0.06 -0.35 -0.04 0.93 0.43 1od0A1 ILE 162 HD13 -0.02 0.00 -0.34 -0.04 0.88 0.47 1od0A1 THR 163 H 0.03 0.65 0.28 -0.55 8.28 8.69 1od0A1 THR 163 HA 0.26 0.05 0.55 -0.75 4.39 4.49 1od0A1 THR 163 HB 0.40 -0.03 0.10 -0.04 4.32 4.75 1od0A1 THR 163 HG23 0.08 0.08 0.06 -0.04 1.22 1.39 1od0A1 LEU 164 H -0.03 0.18 0.19 -0.55 8.37 8.17 1od0A1 LEU 164 HA 0.17 0.21 1.01 -0.75 4.35 4.99 1od0A1 LEU 164 HB2 -0.24 -0.01 0.05 -0.04 1.64 1.40 1od0A1 LEU 164 HB3 -0.14 0.02 -0.08 -0.04 1.64 1.39 1od0A1 LEU 164 HG -0.05 -0.07 -0.15 -0.04 1.64 1.33 1od0A1 LEU 164 HD13 -0.32 0.05 -0.03 -0.04 0.93 0.59 1od0A1 LEU 164 HD23 -0.36 0.03 -0.11 -0.04 0.89 0.41 1od0A1 ASN 165 H 0.05 0.58 0.27 -0.55 8.53 8.89 1od0A1 ASN 165 HA -0.18 0.11 0.93 -0.75 4.76 4.87 1od0A1 ASN 165 HB2 -0.43 0.01 0.01 -0.04 2.88 2.44 1od0A1 ASN 165 HB3 -0.60 -0.06 0.18 -0.04 2.79 2.26 1od0A1 ASN 165 HD21 -0.54 -0.01 -0.20 -0.04 7.03 6.24 1od0A1 ASN 165 HD22 -1.02 -0.04 -0.21 -0.04 7.74 6.43 1od0A1 GLU 166 H -0.13 0.42 0.02 -0.55 8.60 8.36 1od0A1 GLU 166 HA 0.03 0.03 0.47 -0.75 4.29 4.06 1od0A1 GLU 166 HB2 0.37 0.06 0.05 -0.04 2.09 2.52 1od0A1 GLU 166 HB3 0.19 -0.09 0.14 -0.04 1.99 2.19 1od0A1 GLU 166 HG2 0.05 0.03 -0.20 -0.04 2.34 2.18 1od0A1 GLU 166 HG3 -0.01 -0.02 -0.31 -0.04 2.34 1.96 1od0A1 PRO 167 HA -0.30 0.04 0.43 -0.51 4.44 4.10 1od0A1 PRO 167 HB2 -0.70 0.10 -0.04 -0.04 2.28 1.60 1od0A1 PRO 167 HB3 -0.48 0.03 0.02 -0.04 2.02 1.55 1od0A1 PRO 167 HG2 -1.39 0.05 0.03 -0.04 2.03 0.68 1od0A1 PRO 167 HG3 -0.66 0.10 -0.02 -0.04 2.03 1.41 1od0A1 PRO 167 HD2 -0.23 0.21 0.28 -0.04 3.68 3.90 1od0A1 PRO 167 HD3 -0.31 0.10 -0.28 -0.04 3.65 3.12 1od0A1 TRP 168 H 0.17 0.13 -0.22 -0.55 7.97 7.50 1od0A1 TRP 168 HA 0.03 0.12 0.48 -0.75 4.62 4.49 1od0A1 TRP 168 HB2 0.17 0.13 0.07 -0.04 3.23 3.57 1od0A1 TRP 168 HB3 -0.03 -0.08 0.08 -0.04 3.23 3.15 1od0A1 TRP 168 HD1 -0.54 0.15 0.07 -0.04 7.22 6.86 1od0A1 TRP 168 HE1 -2.29 -0.00 -0.16 -0.04 10.20 7.71 1od0A1 TRP 168 HE3 -0.14 -0.08 -0.23 -0.04 7.59 7.10 1od0A1 TRP 168 HZ2 -0.13 0.04 -0.09 -0.04 7.44 7.22 1od0A1 TRP 168 HZ3 -0.08 -0.02 -0.08 -0.04 7.13 6.90 1od0A1 TRP 168 HH2 0.10 0.03 -0.08 -0.04 7.19 7.20 1od0A1 VAL 169 H 0.19 0.14 -0.15 -0.55 8.24 7.87 1od0A1 VAL 169 HA -0.34 -0.01 0.46 -0.75 4.13 3.48 1od0A1 VAL 169 HB -0.22 0.18 0.12 -0.04 2.12 2.16 1od0A1 VAL 169 HG13 -0.44 -0.00 -0.14 -0.04 0.97 0.35 1od0A1 VAL 169 HG23 0.31 -0.01 0.02 -0.04 0.95 1.23 1od0A1 VAL 170 H -0.40 0.46 -0.08 -0.55 8.24 7.66 1od0A1 VAL 170 HA -0.60 0.02 0.32 -0.75 4.13 3.12 1od0A1 VAL 170 HB -0.42 0.10 0.13 -0.04 2.12 1.89 1od0A1 VAL 170 HG13 -0.47 -0.01 -0.14 -0.04 0.97 0.31 1od0A1 VAL 170 HG23 -0.38 0.03 -0.00 -0.04 0.95 0.55 1od0A1 ALA 171 H -0.36 0.56 -0.18 -0.55 8.40 7.87 1od0A1 ALA 171 HA -0.25 0.03 0.44 -0.75 4.34 3.80 1od0A1 ALA 171 HB3 -0.35 0.08 0.06 -0.04 1.41 1.16 1od0A1 ILE 172 H -0.82 0.80 0.10 -0.55 8.25 7.78 1od0A1 ILE 172 HA -0.67 0.04 0.29 -0.75 4.18 3.09 1od0A1 ILE 172 HB -2.27 0.08 0.12 -0.04 1.89 -0.22 1od0A1 ILE 172 HG12 -1.54 0.07 0.10 -0.04 1.49 0.09 1od0A1 ILE 172 HG13 -1.06 0.02 -0.02 -0.04 1.21 0.11 1od0A1 ILE 172 HG23 -1.19 -0.01 -0.13 -0.04 0.93 -0.44 1od0A1 ILE 172 HD13 -0.68 -0.02 -0.15 -0.04 0.88 -0.01 1od0A1 VAL 173 H -0.81 0.40 0.16 -0.55 8.24 7.45 1od0A1 VAL 173 HA -0.45 0.02 0.60 -0.75 4.13 3.55 1od0A1 VAL 173 HB -0.53 0.14 0.08 -0.04 2.12 1.77 1od0A1 VAL 173 HG13 -0.56 -0.02 -0.05 -0.04 0.97 0.30 1od0A1 VAL 173 HG23 -0.28 0.00 0.03 -0.04 0.95 0.66 1od0A1 GLY 174 H -0.38 0.36 -0.41 -0.55 8.43 7.46 1od0A1 GLY 174 HA2 -0.36 0.09 0.30 -0.51 4.01 3.53 1od0A1 GLY 174 HA3 -0.40 0.26 0.22 -0.51 4.01 3.58 1od0A1 HIS 175 H -0.18 0.29 -0.17 -0.55 8.41 7.80 1od0A1 HIS 175 HA -0.12 0.10 0.99 -0.75 4.63 4.85 1od0A1 HIS 175 HB2 -0.19 0.16 0.07 -0.04 3.26 3.26 1od0A1 HIS 175 HB3 -0.09 -0.12 0.01 -0.04 3.20 2.96 1od0A1 HIS 175 HD2 -0.01 -0.02 -0.07 -0.04 6.97 6.83 1od0A1 HIS 175 HE1 0.06 -0.04 -0.04 -0.04 7.75 7.68 1od0A1 LEU 176 H -0.26 0.25 0.11 -0.55 8.37 7.93 1od0A1 LEU 176 HA -0.06 -0.04 0.85 -0.75 4.35 4.35 1od0A1 LEU 176 HB2 -0.23 -0.07 -0.01 -0.04 1.64 1.29 1od0A1 LEU 176 HB3 -0.50 0.15 0.24 -0.04 1.64 1.50 1od0A1 LEU 176 HG 0.09 0.06 -0.23 -0.04 1.64 1.51 1od0A1 LEU 176 HD13 0.00 -0.03 -0.05 -0.04 0.93 0.81 1od0A1 LEU 176 HD23 -0.01 -0.00 -0.03 -0.04 0.89 0.81 1od0A1 TYR 177 H -0.27 0.41 0.29 -0.55 8.29 8.17 1od0A1 TYR 177 HA -0.04 0.12 0.53 -0.75 4.56 4.42 1od0A1 TYR 177 HB2 -0.15 -0.05 0.21 -0.04 3.06 3.03 1od0A1 TYR 177 HB3 -0.05 0.01 0.06 -0.04 2.98 2.96 1od0A1 TYR 177 HD2 -0.07 0.00 -0.12 -0.04 7.15 6.92 1od0A1 TYR 177 HE2 0.13 -0.00 -0.07 -0.04 6.85 6.87 1od0A1 GLY 178 H -0.06 0.03 -0.23 -0.55 8.43 7.62 1od0A1 GLY 178 HA2 -0.06 -0.02 0.03 -0.51 4.01 3.45 1od0A1 GLY 178 HA3 0.03 0.12 0.04 -0.51 4.01 3.70 1od0A1 VAL 179 H 0.01 0.13 -0.13 -0.55 8.24 7.70 1od0A1 VAL 179 HA 0.20 0.21 0.52 -0.75 4.13 4.30 1od0A1 VAL 179 HB -0.01 -0.08 0.04 -0.04 2.12 2.03 1od0A1 VAL 179 HG13 0.18 -0.02 -0.03 -0.04 0.97 1.05 1od0A1 VAL 179 HG23 0.07 0.04 -0.09 -0.04 0.95 0.92 1od0A1 HIS 180 H -0.13 0.34 -0.06 -0.55 8.41 8.02 1od0A1 HIS 180 HA -0.26 0.11 0.77 -0.75 4.63 4.50 1od0A1 HIS 180 HB2 -0.32 -0.01 -0.33 -0.04 3.26 2.56 1od0A1 HIS 180 HB3 -0.24 0.05 -0.05 -0.04 3.20 2.91 1od0A1 HIS 180 HD2 0.37 0.32 -0.23 -0.04 6.97 7.38 1od0A1 HIS 180 HE1 0.00 -0.02 -0.09 -0.04 7.75 7.60 1od0A1 ALA 181 H -2.08 0.03 0.04 -0.55 8.40 5.84 1od0A1 ALA 181 HA -1.26 0.11 0.43 -0.75 4.34 2.86 1od0A1 ALA 181 HB3 -1.16 -0.01 -0.04 -0.04 1.41 0.16 1od0A1 PRO 182 HA -0.35 -0.01 0.34 -0.51 4.44 3.91 1od0A1 PRO 182 HB2 -0.10 0.08 0.09 -0.04 2.28 2.32 1od0A1 PRO 182 HB3 -0.11 -0.10 0.07 -0.04 2.02 1.85 1od0A1 PRO 182 HG2 -0.37 0.09 -0.05 -0.04 2.03 1.65 1od0A1 PRO 182 HG3 -0.11 -0.06 0.02 -0.04 2.03 1.84 1od0A1 PRO 182 HD2 -1.05 0.20 0.06 -0.04 3.68 2.85 1od0A1 PRO 182 HD3 -0.33 -0.00 0.26 -0.04 3.65 3.54 1od0A1 GLY 183 H -0.46 0.51 0.25 -0.55 8.43 8.18 1od0A1 GLY 183 HA2 -0.05 0.12 0.22 -0.51 4.01 3.80 1od0A1 GLY 183 HA3 0.21 0.01 0.31 -0.51 4.01 4.03 1od0A1 MET 184 H -0.20 0.46 0.15 -0.55 8.47 8.34 1od0A1 MET 184 HA -0.01 0.15 0.71 -0.75 4.52 4.61 1od0A1 MET 184 HB2 -0.04 0.01 -0.07 -0.04 2.15 2.01 1od0A1 MET 184 HB3 -0.07 -0.02 0.13 -0.04 2.03 2.03 1od0A1 MET 184 HG2 0.03 0.06 -0.04 -0.04 2.63 2.64 1od0A1 MET 184 HG3 0.01 -0.04 0.02 -0.04 2.56 2.50 1od0A1 MET 184 HE3 0.04 0.01 -0.05 -0.04 2.10 2.06 1od0A1 ARG 185 H 0.01 0.12 -0.06 -0.55 8.46 7.97 1od0A1 ARG 185 HA 0.01 0.28 0.58 -0.75 4.34 4.45 1od0A1 ARG 185 HB2 0.02 -0.08 0.14 -0.04 1.90 1.94 1od0A1 ARG 185 HB3 0.03 -0.01 0.11 -0.04 1.80 1.89 1od0A1 ARG 185 HG2 0.02 0.09 -0.90 -0.04 1.67 0.84 1od0A1 ARG 185 HG3 0.03 -0.02 -0.26 -0.04 1.67 1.38 1od0A1 ARG 185 HD2 0.05 -0.04 -0.02 -0.04 3.22 3.17 1od0A1 ARG 185 HD3 0.06 0.27 -0.20 -0.04 3.22 3.31 1od0A1 ASP 186 H -0.00 0.87 0.18 -0.55 8.40 8.90 1od0A1 ASP 186 HA 0.02 0.14 0.82 -0.75 4.63 4.85 1od0A1 ASP 186 HB2 0.03 0.10 -0.05 -0.04 2.71 2.74 1od0A1 ASP 186 HB3 0.04 -0.02 0.18 -0.04 2.70 2.86 1od0A1 ILE 187 H -0.02 0.23 0.14 -0.55 8.25 8.05 1od0A1 ILE 187 HA -0.11 0.08 0.42 -0.75 4.18 3.82 1od0A1 ILE 187 HB -0.21 0.06 0.11 -0.04 1.89 1.81 1od0A1 ILE 187 HG12 -0.98 0.01 -0.06 -0.04 1.49 0.42 1od0A1 ILE 187 HG13 -0.08 -0.03 0.06 -0.04 1.21 1.12 1od0A1 ILE 187 HG23 -0.76 0.02 -0.01 -0.04 0.93 0.13 1od0A1 ILE 187 HD13 -0.27 0.02 -0.01 -0.04 0.88 0.59 1od0A1 TYR 188 H 0.23 0.08 -0.06 -0.55 8.29 7.99 1od0A1 TYR 188 HA 0.05 0.22 0.59 -0.75 4.56 4.67 1od0A1 TYR 188 HB2 -0.01 -0.08 0.07 -0.04 3.06 3.01 1od0A1 TYR 188 HB3 0.02 0.09 0.02 -0.04 2.98 3.08 1od0A1 TYR 188 HD2 -0.01 -0.03 0.07 -0.04 7.15 7.14 1od0A1 TYR 188 HE2 0.04 0.08 0.01 -0.04 6.85 6.94 1od0A1 VAL 189 H 0.10 0.05 -0.20 -0.55 8.24 7.64 1od0A1 VAL 189 HA 0.04 0.09 0.60 -0.75 4.13 4.11 1od0A1 VAL 189 HB 0.04 0.16 0.15 -0.04 2.12 2.43 1od0A1 VAL 189 HG13 0.04 -0.00 -0.10 -0.04 0.97 0.86 1od0A1 VAL 189 HG23 0.05 -0.01 0.04 -0.04 0.95 0.99 1od0A1 ALA 190 H -0.04 0.59 -0.11 -0.55 8.40 8.30 1od0A1 ALA 190 HA -0.23 0.01 0.27 -0.75 4.34 3.64 1od0A1 ALA 190 HB3 -0.26 0.01 -0.13 -0.04 1.41 0.99 1od0A1 PHE 191 H 0.07 0.46 -0.27 -0.55 8.34 8.05 1od0A1 PHE 191 HA -0.09 0.01 0.63 -0.75 4.62 4.41 1od0A1 PHE 191 HB2 -0.10 0.18 0.03 -0.04 3.15 3.23 1od0A1 PHE 191 HB3 -0.15 -0.01 -0.13 -0.04 3.06 2.73 1od0A1 PHE 191 HD2 -0.21 0.11 0.02 -0.04 7.28 7.16 1od0A1 PHE 191 HE2 0.05 -0.01 -0.04 -0.04 7.38 7.35 1od0A1 PHE 191 HZ 0.17 -0.00 -0.05 -0.04 7.32 7.40 1od0A1 ARG 192 H 0.07 0.51 -0.09 -0.55 8.46 8.40 1od0A1 ARG 192 HA 0.10 -0.01 0.70 -0.75 4.34 4.37 1od0A1 ARG 192 HB2 0.04 0.13 0.31 -0.04 1.90 2.35 1od0A1 ARG 192 HB3 0.05 0.01 0.09 -0.04 1.80 1.90 1od0A1 ARG 192 HG2 0.06 -0.10 0.11 -0.04 1.67 1.71 1od0A1 ARG 192 HG3 0.07 0.01 0.11 -0.04 1.67 1.82 1od0A1 ARG 192 HD2 0.11 0.23 0.01 -0.04 3.22 3.52 1od0A1 ARG 192 HD3 0.06 -0.06 0.04 -0.04 3.22 3.22 1od0A1 ALA 193 H -0.09 0.54 -0.27 -0.55 8.40 8.03 1od0A1 ALA 193 HA 0.02 0.25 0.42 -0.75 4.34 4.28 1od0A1 ALA 193 HB3 -0.38 0.01 -0.03 -0.04 1.41 0.98 1od0A1 VAL 194 H -0.14 0.53 -0.03 -0.55 8.24 8.06 1od0A1 VAL 194 HA 0.06 -0.04 0.48 -0.75 4.13 3.88 1od0A1 VAL 194 HB -0.01 0.18 0.19 -0.04 2.12 2.44 1od0A1 VAL 194 HG13 0.01 -0.01 -0.14 -0.04 0.97 0.79 1od0A1 VAL 194 HG23 -0.29 0.04 0.07 -0.04 0.95 0.73 1od0A1 HIS 195 H 0.18 0.48 -0.30 -0.55 8.41 8.23 1od0A1 HIS 195 HA 0.23 0.04 0.30 -0.75 4.63 4.45 1od0A1 HIS 195 HB2 0.12 0.08 0.16 -0.04 3.26 3.58 1od0A1 HIS 195 HB3 0.09 0.12 0.18 -0.04 3.20 3.54 1od0A1 HIS 195 HD2 0.10 -0.01 -0.06 -0.04 6.97 6.95 1od0A1 HIS 195 HE1 0.28 0.15 0.01 -0.04 7.75 8.14 1od0A1 ASN 196 H 0.14 0.70 -0.01 -0.55 8.53 8.81 1od0A1 ASN 196 HA 0.02 -0.03 0.56 -0.75 4.76 4.56 1od0A1 ASN 196 HB2 0.16 0.28 0.18 -0.04 2.88 3.46 1od0A1 ASN 196 HB3 0.16 -0.15 -0.03 -0.04 2.79 2.73 1od0A1 ASN 196 HD21 0.04 -0.13 -0.33 -0.04 7.03 6.57 1od0A1 ASN 196 HD22 0.06 0.38 -0.33 -0.04 7.74 7.81 1od0A1 LEU 197 H 0.01 0.67 -0.23 -0.55 8.37 8.27 1od0A1 LEU 197 HA -0.29 -0.06 0.45 -0.75 4.35 3.70 1od0A1 LEU 197 HB2 -0.08 0.27 0.20 -0.04 1.64 1.98 1od0A1 LEU 197 HB3 -0.32 -0.10 -0.01 -0.04 1.64 1.17 1od0A1 LEU 197 HG -0.69 0.08 0.04 -0.04 1.64 1.04 1od0A1 LEU 197 HD13 -0.46 -0.05 -0.08 -0.04 0.93 0.29 1od0A1 LEU 197 HD23 -1.78 -0.05 -0.01 -0.04 0.89 -0.99 1od0A1 LEU 198 H 0.08 0.50 -0.13 -0.55 8.37 8.27 1od0A1 LEU 198 HA 0.09 0.00 0.50 -0.75 4.35 4.20 1od0A1 LEU 198 HB2 0.03 0.17 0.19 -0.04 1.64 1.99 1od0A1 LEU 198 HB3 0.02 0.01 -0.02 -0.04 1.64 1.60 1od0A1 LEU 198 HG 0.39 -0.06 0.06 -0.04 1.64 1.98 1od0A1 LEU 198 HD13 0.06 0.01 0.02 -0.04 0.93 0.98 1od0A1 LEU 198 HD23 0.15 -0.01 0.07 -0.04 0.89 1.06 1od0A1 ARG 199 H -0.05 0.42 -0.14 -0.55 8.46 8.13 1od0A1 ARG 199 HA -0.02 0.08 0.35 -0.75 4.34 3.99 1od0A1 ARG 199 HB2 -0.03 0.01 0.14 -0.04 1.90 1.97 1od0A1 ARG 199 HB3 -0.03 -0.05 0.06 -0.04 1.80 1.73 1od0A1 ARG 199 HG2 -0.18 -0.01 0.02 -0.04 1.67 1.47 1od0A1 ARG 199 HG3 -0.35 0.33 0.11 -0.04 1.67 1.72 1od0A1 ARG 199 HD2 -0.14 -0.03 -0.03 -0.04 3.22 2.98 1od0A1 ARG 199 HD3 -0.07 -0.02 -0.08 -0.04 3.22 3.00 1od0A1 ALA 200 H 0.07 0.67 -0.13 -0.55 8.40 8.46 1od0A1 ALA 200 HA 0.15 0.01 0.56 -0.75 4.34 4.31 1od0A1 ALA 200 HB3 0.13 -0.02 0.00 -0.04 1.41 1.48 1od0A1 HIS 201 H 0.07 0.74 -0.05 -0.55 8.41 8.62 1od0A1 HIS 201 HA 0.13 -0.09 0.49 -0.75 4.63 4.40 1od0A1 HIS 201 HB2 -0.09 -0.15 0.12 -0.04 3.26 3.10 1od0A1 HIS 201 HB3 -0.04 0.17 0.24 -0.04 3.20 3.53 1od0A1 HIS 201 HD2 -0.02 0.15 -0.02 -0.04 6.97 7.03 1od0A1 HIS 201 HE1 -0.13 -0.01 -0.15 -0.04 7.75 7.42 1od0A1 ALA 202 H 0.06 0.59 -0.20 -0.55 8.40 8.30 1od0A1 ALA 202 HA -0.29 0.05 0.36 -0.75 4.34 3.70 1od0A1 ALA 202 HB3 0.00 0.08 0.12 -0.04 1.41 1.57 1od0A1 ARG 203 H 0.03 0.53 -0.06 -0.55 8.46 8.41 1od0A1 ARG 203 HA -0.00 0.03 0.52 -0.75 4.34 4.13 1od0A1 ARG 203 HB2 0.10 0.07 0.20 -0.04 1.90 2.23 1od0A1 ARG 203 HB3 0.04 -0.08 0.05 -0.04 1.80 1.77 1od0A1 ARG 203 HG2 0.01 0.10 0.08 -0.04 1.67 1.82 1od0A1 ARG 203 HG3 0.03 -0.11 -0.03 -0.04 1.67 1.52 1od0A1 ARG 203 HD2 0.00 0.02 0.01 -0.04 3.22 3.21 1od0A1 ARG 203 HD3 0.00 -0.05 -0.04 -0.04 3.22 3.09 1od0A1 ALA 204 H 0.11 0.56 -0.20 -0.55 8.40 8.32 1od0A1 ALA 204 HA 0.01 -0.02 0.50 -0.75 4.34 4.08 1od0A1 ALA 204 HB3 0.06 0.01 0.06 -0.04 1.41 1.51 1od0A1 VAL 205 H -0.15 0.57 -0.07 -0.55 8.24 8.04 1od0A1 VAL 205 HA -0.09 -0.02 0.49 -0.75 4.13 3.75 1od0A1 VAL 205 HB -0.22 0.12 0.11 -0.04 2.12 2.09 1od0A1 VAL 205 HG13 -0.08 0.02 -0.13 -0.04 0.97 0.74 1od0A1 VAL 205 HG23 -0.40 0.03 -0.03 -0.04 0.95 0.51 1od0A1 LYS 206 H -0.04 0.51 -0.18 -0.55 8.42 8.15 1od0A1 LYS 206 HA -0.02 0.03 0.40 -0.75 4.32 3.97 1od0A1 LYS 206 HB2 -0.02 0.18 0.21 -0.04 1.87 2.20 1od0A1 LYS 206 HB3 -0.01 0.01 0.11 -0.04 1.79 1.85 1od0A1 LYS 206 HG2 -0.02 -0.05 -0.03 -0.04 1.46 1.33 1od0A1 LYS 206 HG3 -0.02 0.00 0.06 -0.04 1.46 1.46 1od0A1 LYS 206 HD2 -0.02 0.00 0.01 -0.04 1.69 1.65 1od0A1 LYS 206 HD3 -0.02 0.05 0.01 -0.04 1.68 1.68 1od0A1 LYS 206 HE2 -0.01 -0.04 -0.01 -0.04 2.99 2.89 1od0A1 LYS 206 HE3 -0.01 -0.01 -0.01 -0.04 2.99 2.92 1od0A1 VAL 207 H 0.02 0.54 -0.03 -0.55 8.24 8.22 1od0A1 VAL 207 HA -0.00 -0.00 0.45 -0.75 4.13 3.82 1od0A1 VAL 207 HB 0.13 0.11 0.15 -0.04 2.12 2.46 1od0A1 VAL 207 HG13 0.11 -0.02 -0.14 -0.04 0.97 0.88 1od0A1 VAL 207 HG23 -0.00 0.03 0.06 -0.04 0.95 1.00 1od0A1 PHE 208 H 0.09 0.56 -0.28 -0.55 8.34 8.15 1od0A1 PHE 208 HA -0.93 -0.07 0.37 -0.75 4.62 3.24 1od0A1 PHE 208 HB2 -0.68 0.01 0.09 -0.04 3.15 2.53 1od0A1 PHE 208 HB3 -0.34 0.24 0.16 -0.04 3.06 3.07 1od0A1 PHE 208 HD2 -1.68 0.01 -0.11 -0.04 7.28 5.45 1od0A1 PHE 208 HE2 -0.73 0.07 -0.31 -0.04 7.38 6.37 1od0A1 PHE 208 HZ -0.00 -0.04 -0.19 -0.04 7.32 7.04 1od0A1 ARG 209 H -0.05 0.53 -0.15 -0.55 8.46 8.24 1od0A1 ARG 209 HA -0.19 0.07 0.34 -0.75 4.34 3.80 1od0A1 ARG 209 HB2 -0.06 0.13 0.10 -0.04 1.90 2.03 1od0A1 ARG 209 HB3 -0.06 -0.07 0.06 -0.04 1.80 1.68 1od0A1 ARG 209 HG2 -0.00 0.25 0.08 -0.04 1.67 1.96 1od0A1 ARG 209 HG3 -0.02 -0.08 0.03 -0.04 1.67 1.57 1od0A1 ARG 209 HD2 -0.00 -0.02 0.03 -0.04 3.22 3.19 1od0A1 ARG 209 HD3 0.06 -0.04 -0.06 -0.04 3.22 3.14 1od0A1 GLU 210 H -0.13 0.31 -0.51 -0.55 8.60 7.72 1od0A1 GLU 210 HA -0.10 0.07 0.60 -0.75 4.29 4.10 1od0A1 GLU 210 HB2 -0.06 0.11 0.12 -0.04 2.09 2.21 1od0A1 GLU 210 HB3 -0.06 -0.10 0.08 -0.04 1.99 1.88 1od0A1 GLU 210 HG2 -0.05 -0.05 -0.02 -0.04 2.34 2.18 1od0A1 GLU 210 HG3 -0.06 0.08 -0.06 -0.04 2.34 2.27 1od0A1 THR 211 H -0.31 0.32 -0.22 -0.55 8.28 7.52 1od0A1 THR 211 HA -0.14 0.18 0.97 -0.75 4.39 4.65 1od0A1 THR 211 HB -0.08 -0.06 -0.06 -0.04 4.32 4.08 1od0A1 THR 211 HG23 -0.04 0.04 -0.14 -0.04 1.22 1.04 1od0A1 VAL 212 H -0.67 0.65 0.04 -0.55 8.24 7.72 1od0A1 VAL 212 HA -0.30 0.16 0.84 -0.75 4.13 4.08 1od0A1 VAL 212 HB -1.80 0.01 0.18 -0.04 2.12 0.46 1od0A1 VAL 212 HG13 -0.13 0.01 -0.02 -0.04 0.97 0.79 1od0A1 VAL 212 HG23 -0.57 -0.00 -0.12 -0.04 0.95 0.22 1od0A1 LYS 213 H -0.20 0.17 -0.11 -0.55 8.42 7.73 1od0A1 LYS 213 HA -0.22 0.18 0.31 -0.75 4.32 3.84 1od0A1 LYS 213 HB2 -0.09 -0.04 0.02 -0.04 1.87 1.72 1od0A1 LYS 213 HB3 -0.09 0.00 0.10 -0.04 1.79 1.76 1od0A1 LYS 213 HG2 -0.17 0.01 -0.24 -0.04 1.46 1.02 1od0A1 LYS 213 HG3 -0.10 -0.03 -0.07 -0.04 1.46 1.22 1od0A1 LYS 213 HD2 -0.07 -0.08 0.01 -0.04 1.69 1.50 1od0A1 LYS 213 HD3 -0.09 0.11 0.04 -0.04 1.68 1.70 1od0A1 LYS 213 HE2 -0.09 0.06 -0.07 -0.04 2.99 2.85 1od0A1 LYS 213 HE3 -0.06 -0.10 0.00 -0.04 2.99 2.79 1od0A1 ASP 214 H -0.12 0.03 -0.35 -0.55 8.40 7.41 1od0A1 ASP 214 HA -0.02 0.24 0.93 -0.75 4.63 5.02 1od0A1 ASP 214 HB2 0.01 0.01 0.17 -0.04 2.71 2.86 1od0A1 ASP 214 HB3 -0.02 -0.05 -0.01 -0.04 2.70 2.58 1od0A1 GLY 215 H -0.12 0.36 -0.22 -0.55 8.43 7.90 1od0A1 GLY 215 HA2 0.17 0.22 0.99 -0.51 4.01 4.88 1od0A1 GLY 215 HA3 0.34 -0.03 0.31 -0.51 4.01 4.13 1od0A1 LYS 216 H 0.30 0.79 0.36 -0.55 8.42 9.32 1od0A1 LYS 216 HA 0.23 0.14 0.86 -0.75 4.32 4.80 1od0A1 LYS 216 HB2 0.10 0.06 0.14 -0.04 1.87 2.13 1od0A1 LYS 216 HB3 0.28 -0.09 -0.04 -0.04 1.79 1.90 1od0A1 LYS 216 HG2 0.18 -0.01 0.02 -0.04 1.46 1.61 1od0A1 LYS 216 HG3 0.14 0.10 -0.30 -0.04 1.46 1.36 1od0A1 LYS 216 HD2 0.08 -0.01 -0.08 -0.04 1.69 1.65 1od0A1 LYS 216 HD3 0.15 -0.02 -0.08 -0.04 1.68 1.68 1od0A1 LYS 216 HE2 0.09 0.04 -0.08 -0.04 2.99 3.00 1od0A1 LYS 216 HE3 0.08 -0.01 -0.07 -0.04 2.99 2.95 1od0A1 ILE 217 H 0.04 0.24 0.21 -0.55 8.25 8.19 1od0A1 ILE 217 HA -0.06 0.28 0.96 -0.75 4.18 4.60 1od0A1 ILE 217 HB -1.52 0.04 -0.20 -0.04 1.89 0.17 1od0A1 ILE 217 HG12 -0.25 0.03 -0.09 -0.04 1.49 1.15 1od0A1 ILE 217 HG13 -0.21 -0.06 -0.14 -0.04 1.21 0.75 1od0A1 ILE 217 HG23 -0.30 0.01 0.03 -0.04 0.93 0.63 1od0A1 ILE 217 HD13 -0.49 -0.01 -0.13 -0.04 0.88 0.21 1od0A1 GLY 218 H -0.39 0.52 0.32 -0.55 8.43 8.34 1od0A1 GLY 218 HA2 -0.55 0.19 0.89 -0.51 4.01 4.04 1od0A1 GLY 218 HA3 -1.95 0.05 0.39 -0.51 4.01 1.99 1od0A1 ILE 219 H -0.48 0.40 0.32 -0.55 8.25 7.94 1od0A1 ILE 219 HA -0.29 -0.06 0.86 -0.75 4.18 3.94 1od0A1 ILE 219 HB -0.37 0.07 -0.08 -0.04 1.89 1.47 1od0A1 ILE 219 HG12 -1.32 0.01 -0.17 -0.04 1.49 -0.03 1od0A1 ILE 219 HG13 -0.58 -0.03 0.20 -0.04 1.21 0.76 1od0A1 ILE 219 HG23 -0.29 0.03 0.01 -0.04 0.93 0.64 1od0A1 ILE 219 HD13 -0.54 0.00 -0.00 -0.04 0.88 0.30 1od0A1 VAL 220 H -0.46 0.54 0.35 -0.55 8.24 8.13 1od0A1 VAL 220 HA -0.31 0.33 0.99 -0.75 4.13 4.39 1od0A1 VAL 220 HB -0.20 0.03 0.21 -0.04 2.12 2.12 1od0A1 VAL 220 HG13 -0.09 -0.04 -0.28 -0.04 0.97 0.51 1od0A1 VAL 220 HG23 -0.07 -0.01 -0.19 -0.04 0.95 0.64 1od0A1 PHE 221 H -0.03 0.61 0.34 -0.55 8.34 8.71 1od0A1 PHE 221 HA -0.03 -0.00 1.08 -0.75 4.62 4.91 1od0A1 PHE 221 HB2 0.14 0.03 0.16 -0.04 3.15 3.45 1od0A1 PHE 221 HB3 0.10 0.10 0.08 -0.04 3.06 3.30 1od0A1 PHE 221 HD2 -0.09 -0.02 0.03 -0.04 7.28 7.17 1od0A1 PHE 221 HE2 -0.26 0.03 -0.04 -0.04 7.38 7.07 1od0A1 PHE 221 HZ -0.13 0.09 -0.11 -0.04 7.32 7.12 1od0A1 ASN 222 H 0.17 0.00 0.21 -0.55 8.53 8.37 1od0A1 ASN 222 HA 0.13 0.10 0.84 -0.75 4.76 5.07 1od0A1 ASN 222 HB2 0.03 0.05 0.02 -0.04 2.88 2.94 1od0A1 ASN 222 HB3 0.12 -0.06 0.09 -0.04 2.79 2.90 1od0A1 ASN 222 HD21 -0.50 0.05 0.00 -0.04 7.03 6.55 1od0A1 ASN 222 HD22 -0.25 -0.00 -0.18 -0.04 7.74 7.27 1od0A1 ASN 223 H 0.13 0.30 0.24 -0.55 8.53 8.66 1od0A1 ASN 223 HA 0.07 0.17 0.70 -0.75 4.76 4.95 1od0A1 ASN 223 HB2 0.36 0.02 0.04 -0.04 2.88 3.27 1od0A1 ASN 223 HB3 0.31 0.02 0.10 -0.04 2.79 3.18 1od0A1 ASN 223 HD21 0.33 -0.03 -0.02 -0.04 7.03 7.26 1od0A1 ASN 223 HD22 0.27 0.41 0.05 -0.04 7.74 8.42 1od0A1 GLY 224 H 0.04 0.24 0.13 -0.55 8.43 8.29 1od0A1 GLY 224 HA2 -0.01 0.21 0.90 -0.51 4.01 4.60 1od0A1 GLY 224 HA3 -0.41 0.01 0.26 -0.51 4.01 3.36 1od0A1 TYR 225 H 0.15 0.48 0.33 -0.55 8.29 8.69 1od0A1 TYR 225 HA -0.21 0.16 0.78 -0.75 4.56 4.54 1od0A1 TYR 225 HB2 0.14 -0.03 0.07 -0.04 3.06 3.21 1od0A1 TYR 225 HB3 0.05 -0.08 0.22 -0.04 2.98 3.12 1od0A1 TYR 225 HD2 -0.47 -0.02 -0.03 -0.04 7.15 6.59 1od0A1 TYR 225 HE2 -0.77 0.01 -0.12 -0.04 6.85 5.93 1od0A1 PHE 226 H -0.09 0.23 0.11 -0.55 8.34 8.05 1od0A1 PHE 226 HA -0.11 0.29 0.93 -0.75 4.62 4.98 1od0A1 PHE 226 HB2 -0.10 0.01 0.08 -0.04 3.15 3.10 1od0A1 PHE 226 HB3 -0.10 0.01 -0.05 -0.04 3.06 2.88 1od0A1 PHE 226 HD2 0.01 0.06 -0.13 -0.04 7.28 7.19 1od0A1 PHE 226 HE2 -0.06 0.01 -0.15 -0.04 7.38 7.14 1od0A1 PHE 226 HZ -0.19 -0.00 -0.13 -0.04 7.32 6.95 1od0A1 GLU 227 H -0.08 0.63 0.40 -0.55 8.60 9.01 1od0A1 GLU 227 HA -0.20 0.19 0.87 -0.75 4.29 4.39 1od0A1 GLU 227 HB2 -0.20 -0.06 0.01 -0.04 2.09 1.81 1od0A1 GLU 227 HB3 -0.17 0.13 0.01 -0.04 1.99 1.92 1od0A1 GLU 227 HG2 -0.57 0.07 -0.12 -0.04 2.34 1.68 1od0A1 GLU 227 HG3 -0.92 -0.06 -0.41 -0.04 2.34 0.90 1od0A1 PRO 228 HA -0.02 0.17 0.74 -0.51 4.44 4.82 1od0A1 PRO 228 HB2 -0.01 0.31 0.16 -0.04 2.28 2.70 1od0A1 PRO 228 HB3 -0.01 -0.10 0.17 -0.04 2.02 2.04 1od0A1 PRO 228 HG2 -0.02 0.10 0.10 -0.04 2.03 2.17 1od0A1 PRO 228 HG3 -0.01 0.02 0.07 -0.04 2.03 2.06 1od0A1 PRO 228 HD2 -0.08 0.10 0.21 -0.04 3.68 3.87 1od0A1 PRO 228 HD3 -0.08 0.14 0.21 -0.04 3.65 3.89 1od0A1 ALA 229 H -0.00 0.44 0.41 -0.55 8.40 8.70 1od0A1 ALA 229 HA 0.00 0.04 0.41 -0.75 4.34 4.04 1od0A1 ALA 229 HB3 0.01 -0.03 0.02 -0.04 1.41 1.38 1od0A1 SER 230 H 0.01 0.01 0.04 -0.55 8.46 7.96 1od0A1 SER 230 HA 0.01 0.23 0.83 -0.75 4.49 4.79 1od0A1 SER 230 HB2 0.01 -0.01 0.12 -0.04 3.95 4.03 1od0A1 SER 230 HB3 0.01 0.01 0.02 -0.04 3.93 3.93 1od0A1 GLU 231 H 0.00 0.15 0.05 -0.55 8.60 8.25 1od0A1 GLU 231 HA 0.00 0.25 0.68 -0.75 4.29 4.48 1od0A1 GLU 231 HB2 0.01 0.06 0.08 -0.04 2.09 2.19 1od0A1 GLU 231 HB3 0.01 0.01 0.06 -0.04 1.99 2.03 1od0A1 GLU 231 HG2 0.00 -0.02 0.07 -0.04 2.34 2.35 1od0A1 GLU 231 HG3 0.00 0.01 0.06 -0.04 2.34 2.37 1od0A1 ARG 237 HA 0.04 0.02 0.25 -0.75 4.34 3.89 1od0A1 ARG 237 HB2 0.00 0.07 0.07 -0.04 1.90 2.01 1od0A1 ARG 237 HB3 0.01 -0.03 0.01 -0.04 1.80 1.75 1od0A1 ARG 237 HG2 0.04 -0.10 -0.01 -0.04 1.67 1.57 1od0A1 ARG 237 HG3 0.01 0.06 0.00 -0.04 1.67 1.70 1od0A1 ARG 237 HD2 -0.03 0.02 -0.07 -0.04 3.22 3.10 1od0A1 ARG 237 HD3 0.01 -0.00 -0.20 -0.04 3.22 2.98 1od0A1 ALA 238 H 0.03 0.23 0.12 -0.55 8.40 8.24 1od0A1 ALA 238 HA 0.06 0.14 0.51 -0.75 4.34 4.29 1od0A1 ALA 238 HB3 0.02 0.03 -0.05 -0.04 1.41 1.37 1od0A1 VAL 239 H 0.00 0.20 -0.17 -0.55 8.24 7.73 1od0A1 VAL 239 HA -0.08 0.07 0.34 -0.75 4.13 3.71 1od0A1 VAL 239 HB 0.00 0.05 -0.01 -0.04 2.12 2.12 1od0A1 VAL 239 HG13 -0.00 0.02 -0.23 -0.04 0.97 0.72 1od0A1 VAL 239 HG23 -0.02 0.00 -0.32 -0.04 0.95 0.57 1od0A1 ARG 240 H 0.05 0.11 -0.38 -0.55 8.46 7.68 1od0A1 ARG 240 HA 0.11 0.07 0.40 -0.75 4.34 4.17 1od0A1 ARG 240 HB2 0.07 0.02 0.08 -0.04 1.90 2.03 1od0A1 ARG 240 HB3 0.07 0.15 0.15 -0.04 1.80 2.13 1od0A1 ARG 240 HG2 0.09 -0.00 -0.14 -0.04 1.67 1.58 1od0A1 ARG 240 HG3 0.11 -0.07 -0.05 -0.04 1.67 1.62 1od0A1 ARG 240 HD2 0.08 0.02 -0.00 -0.04 3.22 3.27 1od0A1 ARG 240 HD3 0.06 0.03 0.01 -0.04 3.22 3.29 1od0A1 PHE 241 H 0.16 0.58 -0.19 -0.55 8.34 8.33 1od0A1 PHE 241 HA -0.01 -0.03 0.44 -0.75 4.62 4.27 1od0A1 PHE 241 HB2 -0.06 0.01 0.07 -0.04 3.15 3.13 1od0A1 PHE 241 HB3 -0.10 0.12 0.13 -0.04 3.06 3.16 1od0A1 PHE 241 HD2 -0.13 -0.02 -0.15 -0.04 7.28 6.93 1od0A1 PHE 241 HE2 -0.26 0.01 -0.08 -0.04 7.38 7.01 1od0A1 PHE 241 HZ -1.29 -0.01 -0.04 -0.04 7.32 5.94 1od0A1 MET 242 H -0.11 0.54 -0.21 -0.55 8.47 8.15 1od0A1 MET 242 HA -0.55 0.02 0.30 -0.75 4.52 3.53 1od0A1 MET 242 HB2 -0.78 0.08 0.06 -0.04 2.15 1.47 1od0A1 MET 242 HB3 -1.85 -0.07 -0.06 -0.04 2.03 0.01 1od0A1 MET 242 HG2 -0.20 0.25 0.00 -0.04 2.63 2.65 1od0A1 MET 242 HG3 -0.63 -0.04 -0.13 -0.04 2.56 1.72 1od0A1 MET 242 HE3 -0.37 -0.01 -0.11 -0.04 2.10 1.57 1od0A1 HIS 243 H -0.04 0.51 -0.30 -0.55 8.41 8.03 1od0A1 HIS 243 HA 0.07 0.01 0.49 -0.75 4.63 4.45 1od0A1 HIS 243 HB2 0.19 0.02 0.11 -0.04 3.26 3.54 1od0A1 HIS 243 HB3 0.06 0.10 0.15 -0.04 3.20 3.47 1od0A1 HIS 243 HD2 0.06 0.01 -0.10 -0.04 6.97 6.90 1od0A1 HIS 243 HE1 -0.05 -0.00 -0.02 -0.04 7.75 7.63 1od0A1 GLN 244 H -0.07 0.45 -0.22 -0.55 8.47 8.09 1od0A1 GLN 244 HA -0.23 0.02 0.31 -0.75 4.36 3.71 1od0A1 GLN 244 HB2 -0.06 0.11 0.11 -0.04 2.15 2.27 1od0A1 GLN 244 HB3 -0.00 -0.13 -0.02 -0.04 2.02 1.83 1od0A1 GLN 244 HG2 0.07 -0.01 0.01 -0.04 2.40 2.44 1od0A1 GLN 244 HG3 0.12 0.22 0.09 -0.04 2.39 2.77 1od0A1 GLN 244 HE21 0.09 -0.06 -0.02 -0.04 6.97 6.94 1od0A1 GLN 244 HE22 0.12 0.09 -0.01 -0.04 7.69 7.84 1od0A1 PHE 245 H -0.31 0.32 -0.33 -0.55 8.34 7.46 1od0A1 PHE 245 HA -0.17 0.07 0.64 -0.75 4.62 4.40 1od0A1 PHE 245 HB2 -0.92 -0.03 -0.01 -0.04 3.15 2.16 1od0A1 PHE 245 HB3 -0.88 0.01 0.09 -0.04 3.06 2.24 1od0A1 PHE 245 HD2 0.00 0.00 -0.02 -0.04 7.28 7.22 1od0A1 PHE 245 HE2 0.28 -0.01 -0.05 -0.04 7.38 7.55 1od0A1 PHE 245 HZ 0.12 -0.04 -0.05 -0.04 7.32 7.31 1od0A1 ASN 246 H -0.44 0.54 0.10 -0.55 8.53 8.18 1od0A1 ASN 246 HA -1.78 0.02 0.48 -0.75 4.76 2.73 1od0A1 ASN 246 HB2 -0.38 0.29 0.14 -0.04 2.88 2.88 1od0A1 ASN 246 HB3 -0.56 -0.12 -0.02 -0.04 2.79 2.06 1od0A1 ASN 246 HD21 -0.17 0.00 -0.07 -0.04 7.03 6.75 1od0A1 ASN 246 HD22 -0.76 -0.05 -0.07 -0.04 7.74 6.82 1od0A1 ASN 247 H -0.35 0.34 -0.10 -0.55 8.53 7.88 1od0A1 ASN 247 HA -0.13 0.33 1.07 -0.75 4.76 5.27 1od0A1 ASN 247 HB2 -0.56 0.33 0.26 -0.04 2.88 2.87 1od0A1 ASN 247 HB3 -0.32 -0.13 0.25 -0.04 2.79 2.55 1od0A1 ASN 247 HD21 0.47 0.34 0.20 -0.04 7.03 8.00 1od0A1 ASN 247 HD22 0.79 -0.01 0.13 -0.04 7.74 8.60 1od0A1 TYR 248 H -0.05 0.13 0.16 -0.55 8.29 7.97 1od0A1 TYR 248 HA -0.58 -0.02 0.35 -0.75 4.56 3.55 1od0A1 TYR 248 HB2 -0.37 0.01 0.08 -0.04 3.06 2.74 1od0A1 TYR 248 HB3 0.01 0.01 0.14 -0.04 2.98 3.10 1od0A1 TYR 248 HD2 0.03 -0.05 -0.19 -0.04 7.15 6.90 1od0A1 TYR 248 HE2 0.32 0.02 -0.05 -0.04 6.85 7.11 1od0A1 PRO 249 HA -0.05 -0.00 0.48 -0.51 4.44 4.36 1od0A1 PRO 249 HB2 -0.17 0.12 0.08 -0.04 2.28 2.28 1od0A1 PRO 249 HB3 0.11 0.00 0.06 -0.04 2.02 2.15 1od0A1 PRO 249 HG2 -0.81 0.02 -0.15 -0.04 2.03 1.05 1od0A1 PRO 249 HG3 -0.26 0.04 -0.05 -0.04 2.03 1.73 1od0A1 PRO 249 HD2 -0.70 0.34 -0.40 -0.04 3.68 2.87 1od0A1 PRO 249 HD3 -1.78 -0.02 -0.14 -0.04 3.65 1.67 1od0A1 LEU 250 H -0.23 0.49 -0.07 -0.55 8.37 8.01 1od0A1 LEU 250 HA -0.08 -0.01 0.47 -0.75 4.35 3.98 1od0A1 LEU 250 HB2 -0.15 0.22 0.24 -0.04 1.64 1.91 1od0A1 LEU 250 HB3 -0.40 -0.07 0.03 -0.04 1.64 1.17 1od0A1 LEU 250 HG -0.98 -0.05 -0.16 -0.04 1.64 0.41 1od0A1 LEU 250 HD13 0.10 -0.03 0.11 -0.04 0.93 1.07 1od0A1 LEU 250 HD23 -0.04 -0.00 0.04 -0.04 0.89 0.85 1od0A1 PHE 251 H -0.23 0.20 -0.45 -0.55 8.34 7.31 1od0A1 PHE 251 HA -0.06 0.16 0.86 -0.75 4.62 4.82 1od0A1 PHE 251 HB2 -0.72 0.05 0.05 -0.04 3.15 2.49 1od0A1 PHE 251 HB3 0.02 0.00 -0.00 -0.04 3.06 3.04 1od0A1 PHE 251 HD2 -0.10 0.06 -0.05 -0.04 7.28 7.15 1od0A1 PHE 251 HE2 0.07 0.03 -0.05 -0.04 7.38 7.39 1od0A1 PHE 251 HZ -0.01 -0.01 -0.32 -0.04 7.32 6.94 1od0A1 LEU 252 H -0.27 0.59 0.24 -0.55 8.37 8.39 1od0A1 LEU 252 HA -0.14 0.08 0.56 -0.75 4.35 4.10 1od0A1 LEU 252 HB2 -0.44 -0.01 -0.04 -0.04 1.64 1.11 1od0A1 LEU 252 HB3 -0.76 0.05 -0.02 -0.04 1.64 0.88 1od0A1 LEU 252 HG -0.29 -0.03 0.02 -0.04 1.64 1.30 1od0A1 LEU 252 HD13 -0.02 0.00 -0.05 -0.04 0.93 0.83 1od0A1 LEU 252 HD23 0.18 0.00 -0.06 -0.04 0.89 0.97 1od0A1 ASN 253 H -0.17 0.58 0.02 -0.55 8.53 8.41 1od0A1 ASN 253 HA 0.14 0.07 0.67 -0.75 4.76 4.88 1od0A1 ASN 253 HB2 0.11 0.01 0.15 -0.04 2.88 3.10 1od0A1 ASN 253 HB3 0.04 0.16 0.04 -0.04 2.79 2.99 1od0A1 ASN 253 HD21 0.12 -0.05 -0.15 -0.04 7.03 6.91 1od0A1 ASN 253 HD22 0.09 0.30 -0.37 -0.04 7.74 7.72 1od0A1 PRO 254 HA -0.11 -0.11 0.42 -0.51 4.44 4.12 1od0A1 PRO 254 HB2 -0.13 0.14 0.00 -0.04 2.28 2.26 1od0A1 PRO 254 HB3 -0.28 -0.06 -0.10 -0.04 2.02 1.54 1od0A1 PRO 254 HG2 -0.36 0.12 0.10 -0.04 2.03 1.86 1od0A1 PRO 254 HG3 -0.72 -0.12 -0.26 -0.04 2.03 0.89 1od0A1 PRO 254 HD2 -0.14 -0.06 -0.67 -0.04 3.68 2.77 1od0A1 PRO 254 HD3 -0.12 0.10 -0.01 -0.04 3.65 3.59 1od0A1 ILE 255 H -0.10 0.40 -0.17 -0.55 8.25 7.83 1od0A1 ILE 255 HA -0.09 0.16 0.14 -0.75 4.18 3.63 1od0A1 ILE 255 HB -0.18 -0.09 0.16 -0.04 1.89 1.74 1od0A1 ILE 255 HG12 0.02 0.19 0.06 -0.04 1.49 1.71 1od0A1 ILE 255 HG13 -0.02 -0.02 0.07 -0.04 1.21 1.20 1od0A1 ILE 255 HG23 -0.41 0.03 -0.10 -0.04 0.93 0.40 1od0A1 ILE 255 HD13 -0.08 -0.07 -0.07 -0.04 0.88 0.63 1od0A1 TYR 256 H -0.00 0.44 -0.18 -0.55 8.29 8.00 1od0A1 TYR 256 HA 0.03 0.17 0.72 -0.75 4.56 4.73 1od0A1 TYR 256 HB2 0.03 0.15 0.16 -0.04 3.06 3.37 1od0A1 TYR 256 HB3 0.17 -0.02 0.05 -0.04 2.98 3.14 1od0A1 TYR 256 HD2 -0.09 -0.02 0.06 -0.04 7.15 7.06 1od0A1 TYR 256 HE2 0.02 -0.06 -0.01 -0.04 6.85 6.75 1od0A1 ARG 257 H 0.10 0.41 -0.03 -0.55 8.46 8.38 1od0A1 ARG 257 HA 0.11 0.17 0.87 -0.75 4.34 4.74 1od0A1 ARG 257 HB2 0.14 0.15 0.12 -0.04 1.90 2.27 1od0A1 ARG 257 HB3 0.10 -0.12 0.05 -0.04 1.80 1.80 1od0A1 ARG 257 HG2 0.17 0.09 -0.16 -0.04 1.67 1.73 1od0A1 ARG 257 HG3 0.33 -0.00 -0.09 -0.04 1.67 1.87 1od0A1 ARG 257 HD2 0.17 -0.09 -0.02 -0.04 3.22 3.24 1od0A1 ARG 257 HD3 0.10 -0.05 -0.01 -0.04 3.22 3.22 1od0A1 GLY 258 H 0.01 0.38 0.12 -0.55 8.43 8.40 1od0A1 GLY 258 HA2 -0.01 0.13 0.31 -0.51 4.01 3.93 1od0A1 GLY 258 HA3 0.02 0.04 0.42 -0.51 4.01 3.97 1od0A1 ASP 259 H 0.00 0.37 -0.24 -0.55 8.40 7.99 1od0A1 ASP 259 HA 0.05 0.02 0.35 -0.75 4.63 4.29 1od0A1 ASP 259 HB2 0.07 0.11 -0.28 -0.04 2.71 2.57 1od0A1 ASP 259 HB3 0.09 0.03 -0.20 -0.04 2.70 2.57 1od0A1 TYR 260 H 0.19 0.06 0.05 -0.55 8.29 8.04 1od0A1 TYR 260 HA 0.00 0.22 0.57 -0.75 4.56 4.60 1od0A1 TYR 260 HB2 -0.05 -0.08 -0.00 -0.04 3.06 2.89 1od0A1 TYR 260 HB3 -0.02 0.02 0.02 -0.04 2.98 2.96 1od0A1 TYR 260 HD2 -0.21 0.07 0.06 -0.04 7.15 7.03 1od0A1 TYR 260 HE2 -0.15 -0.01 -0.04 -0.04 6.85 6.61 1od0A1 PRO 261 HA 0.11 0.13 0.39 -0.51 4.44 4.56 1od0A1 PRO 261 HB2 0.08 -0.18 -0.04 -0.04 2.28 2.09 1od0A1 PRO 261 HB3 0.09 0.09 0.07 -0.04 2.02 2.23 1od0A1 PRO 261 HG2 0.05 0.10 -0.00 -0.04 2.03 2.14 1od0A1 PRO 261 HG3 0.03 0.08 -0.26 -0.04 2.03 1.83 1od0A1 PRO 261 HD2 0.22 0.06 0.20 -0.04 3.68 4.11 1od0A1 PRO 261 HD3 0.09 0.33 0.20 -0.04 3.65 4.23 1od0A1 GLU 262 H 0.08 0.21 0.14 -0.55 8.60 8.49 1od0A1 GLU 262 HA 0.07 0.12 0.30 -0.75 4.29 4.03 1od0A1 GLU 262 HB2 0.06 0.10 0.12 -0.04 2.09 2.32 1od0A1 GLU 262 HB3 0.07 -0.06 0.12 -0.04 1.99 2.07 1od0A1 GLU 262 HG2 0.05 -0.03 -0.33 -0.04 2.34 1.98 1od0A1 GLU 262 HG3 0.04 0.04 -0.02 -0.04 2.34 2.36 1od0A1 LEU 263 H 0.10 0.13 -0.12 -0.55 8.37 7.93 1od0A1 LEU 263 HA 0.10 0.11 0.47 -0.75 4.35 4.28 1od0A1 LEU 263 HB2 0.16 0.02 -0.00 -0.04 1.64 1.78 1od0A1 LEU 263 HB3 0.32 0.03 0.01 -0.04 1.64 1.97 1od0A1 LEU 263 HG 0.10 0.01 -0.05 -0.04 1.64 1.66 1od0A1 LEU 263 HD13 0.13 0.00 -0.13 -0.04 0.93 0.90 1od0A1 LEU 263 HD23 0.07 -0.01 -0.10 -0.04 0.89 0.81 1od0A1 VAL 264 H 0.12 0.17 -0.39 -0.55 8.24 7.58 1od0A1 VAL 264 HA 0.25 0.08 0.53 -0.75 4.13 4.23 1od0A1 VAL 264 HB 0.10 0.20 0.03 -0.04 2.12 2.41 1od0A1 VAL 264 HG13 0.06 -0.00 -0.15 -0.04 0.97 0.84 1od0A1 VAL 264 HG23 0.13 -0.00 -0.12 -0.04 0.95 0.91 1od0A1 LEU 265 H 0.05 0.51 -0.15 -0.55 8.37 8.23 1od0A1 LEU 265 HA -0.16 -0.00 0.35 -0.75 4.35 3.79 1od0A1 LEU 265 HB2 0.03 0.10 0.04 -0.04 1.64 1.77 1od0A1 LEU 265 HB3 -0.01 -0.03 -0.02 -0.04 1.64 1.54 1od0A1 LEU 265 HG 0.09 0.06 -0.18 -0.04 1.64 1.57 1od0A1 LEU 265 HD13 0.14 -0.02 -0.09 -0.04 0.93 0.92 1od0A1 LEU 265 HD23 -0.03 -0.03 -0.05 -0.04 0.89 0.75 1od0A1 GLU 266 H 0.03 0.40 -0.30 -0.55 8.60 8.18 1od0A1 GLU 266 HA -0.05 0.02 0.38 -0.75 4.29 3.89 1od0A1 GLU 266 HB2 0.05 0.08 0.15 -0.04 2.09 2.32 1od0A1 GLU 266 HB3 -0.01 -0.02 -0.03 -0.04 1.99 1.89 1od0A1 GLU 266 HG2 -0.00 -0.03 0.01 -0.04 2.34 2.28 1od0A1 GLU 266 HG3 0.03 0.13 -0.01 -0.04 2.34 2.45 1od0A1 PHE 267 H 0.12 0.41 -0.20 -0.55 8.34 8.11 1od0A1 PHE 267 HA -0.19 0.06 0.58 -0.75 4.62 4.32 1od0A1 PHE 267 HB2 -0.24 -0.01 0.11 -0.04 3.15 2.96 1od0A1 PHE 267 HB3 -0.00 0.06 0.20 -0.04 3.06 3.28 1od0A1 PHE 267 HD2 -0.16 0.00 0.00 -0.04 7.28 7.09 1od0A1 PHE 267 HE2 0.01 -0.03 -0.02 -0.04 7.38 7.30 1od0A1 PHE 267 HZ 0.06 -0.03 -0.01 -0.04 7.32 7.30 1od0A1 ALA 268 H -0.29 0.61 -0.09 -0.55 8.40 8.09 1od0A1 ALA 268 HA -1.17 0.18 0.70 -0.75 4.34 3.29 1od0A1 ALA 268 HB3 -1.19 0.00 -0.02 -0.04 1.41 0.17 1od0A1 ARG 269 H -0.41 0.50 -0.04 -0.55 8.46 7.96 1od0A1 ARG 269 HA -0.35 0.02 0.37 -0.75 4.34 3.63 1od0A1 ARG 269 HB2 -0.17 0.14 0.17 -0.04 1.90 2.00 1od0A1 ARG 269 HB3 -0.22 -0.00 0.09 -0.04 1.80 1.62 1od0A1 ARG 269 HG2 -0.05 -0.01 -0.01 -0.04 1.67 1.55 1od0A1 ARG 269 HG3 -0.11 -0.00 -0.19 -0.04 1.67 1.33 1od0A1 ARG 269 HD2 -0.11 -0.00 0.16 -0.04 3.22 3.22 1od0A1 ARG 269 HD3 0.01 -0.03 0.05 -0.04 3.22 3.20 1od0A1 GLU 270 H -0.58 0.15 -0.21 -0.55 8.60 7.42 1od0A1 GLU 270 HA -0.22 0.08 0.42 -0.75 4.29 3.82 1od0A1 GLU 270 HB2 -0.29 -0.01 0.07 -0.04 2.09 1.82 1od0A1 GLU 270 HB3 -0.78 0.03 0.04 -0.04 1.99 1.24 1od0A1 TYR 271 H -0.79 0.32 -0.49 -0.55 8.29 6.78 1od0A1 TYR 271 HA -0.64 0.05 0.58 -0.75 4.56 3.80 1od0A1 TYR 271 HB2 -0.81 0.12 -0.00 -0.04 3.06 2.32 1od0A1 TYR 271 HB3 -0.37 -0.06 -0.02 -0.04 2.98 2.49 1od0A1 TYR 271 HD2 -1.40 0.03 -0.13 -0.04 7.15 5.61 1od0A1 TYR 271 HE2 -0.78 0.02 -0.05 -0.04 6.85 6.01 1od0A1 LEU 272 H -0.32 0.26 -0.18 -0.55 8.37 7.58 1od0A1 LEU 272 HA -0.11 0.04 0.54 -0.75 4.35 4.06 1od0A1 LEU 272 HB2 -0.34 0.11 0.11 -0.04 1.64 1.49 1od0A1 LEU 272 HB3 -0.37 -0.01 0.05 -0.04 1.64 1.27 1od0A1 LEU 272 HG -0.51 0.03 -0.06 -0.04 1.64 1.06 1od0A1 LEU 272 HD13 -0.88 -0.03 -0.08 -0.04 0.93 -0.11 1od0A1 LEU 272 HD23 -0.36 -0.01 -0.01 -0.04 0.89 0.47 1od0A1 PRO 273 HA 0.03 0.07 0.44 -0.51 4.44 4.46 1od0A1 PRO 273 HB2 -0.02 -0.09 -0.10 -0.04 2.28 2.02 1od0A1 PRO 273 HB3 0.02 0.01 0.10 -0.04 2.02 2.11 1od0A1 PRO 273 HG2 -0.22 0.02 0.08 -0.04 2.03 1.87 1od0A1 PRO 273 HG3 0.01 0.08 0.12 -0.04 2.03 2.20 1od0A1 PRO 273 HD2 -0.28 0.05 0.18 -0.04 3.68 3.59 1od0A1 PRO 273 HD3 -0.07 0.19 0.15 -0.04 3.65 3.88 1od0A1 GLU 274 H 0.03 0.10 0.16 -0.55 8.60 8.34 1od0A1 GLU 274 HA 0.03 0.18 0.43 -0.75 4.29 4.17 1od0A1 GLU 274 HB2 0.02 0.03 0.16 -0.04 2.09 2.26 1od0A1 GLU 274 HB3 0.01 -0.06 0.11 -0.04 1.99 2.01 1od0A1 GLU 274 HG2 0.00 -0.02 -0.10 -0.04 2.34 2.18 1od0A1 GLU 274 HG3 0.01 0.04 0.08 -0.04 2.34 2.43 1od0A1 ASN 275 H 0.02 0.09 -0.16 -0.55 8.53 7.93 1od0A1 ASN 275 HA -0.06 0.27 1.03 -0.75 4.76 5.24 1od0A1 ASN 275 HB2 0.00 -0.00 0.12 -0.04 2.88 2.96 1od0A1 ASN 275 HB3 -0.03 -0.03 0.17 -0.04 2.79 2.87 1od0A1 ASN 275 HD21 -0.02 0.01 -0.05 -0.04 7.03 6.93 1od0A1 ASN 275 HD22 -0.04 -0.00 0.01 -0.04 7.74 7.67 1od0A1 TYR 276 H 0.10 0.54 -0.44 -0.55 8.29 7.95 1od0A1 TYR 276 HA -0.10 0.01 0.20 -0.75 4.56 3.91 1od0A1 TYR 276 HB2 -0.57 -0.02 0.06 -0.04 3.06 2.49 1od0A1 TYR 276 HB3 -0.22 0.26 0.05 -0.04 2.98 3.03 1od0A1 TYR 276 HD2 0.09 0.12 -0.16 -0.04 7.15 7.16 1od0A1 TYR 276 HE2 0.08 0.01 -0.02 -0.04 6.85 6.87 1od0A1 LYS 277 H -0.73 0.13 -0.30 -0.55 8.42 6.96 1od0A1 LYS 277 HA -0.26 0.12 0.39 -0.75 4.32 3.81 1od0A1 LYS 277 HB2 -0.63 0.00 0.09 -0.04 1.87 1.28 1od0A1 LYS 277 HB3 -0.23 0.01 -0.05 -0.04 1.79 1.48 1od0A1 LYS 277 HG2 -0.13 0.00 0.01 -0.04 1.46 1.30 1od0A1 LYS 277 HG3 -0.12 0.03 0.13 -0.04 1.46 1.46 1od0A1 LYS 277 HD2 -0.15 0.00 0.08 -0.04 1.69 1.59 1od0A1 LYS 277 HD3 -0.30 0.00 0.04 -0.04 1.68 1.38 1od0A1 LYS 277 HE2 0.05 -0.01 0.03 -0.04 2.99 3.02 1od0A1 LYS 277 HE3 -0.03 0.00 0.02 -0.04 2.99 2.94 1od0A1 ASP 278 H -0.08 0.40 -0.27 -0.55 8.40 7.90 1od0A1 ASP 278 HA -0.02 0.06 0.46 -0.75 4.63 4.37 1od0A1 ASP 278 HB2 0.02 0.09 0.04 -0.04 2.71 2.82 1od0A1 ASP 278 HB3 0.00 -0.03 0.08 -0.04 2.70 2.72 1od0A1 ASP 279 H 0.11 0.48 -0.37 -0.55 8.40 8.07 1od0A1 ASP 279 HA 0.04 0.12 0.80 -0.75 4.63 4.84 1od0A1 ASP 279 HB2 0.20 0.14 0.04 -0.04 2.71 3.04 1od0A1 ASP 279 HB3 0.01 -0.05 0.10 -0.04 2.70 2.72 1od0A1 MET 280 H 0.04 0.46 -0.21 -0.55 8.47 8.20 1od0A1 MET 280 HA 0.02 0.02 0.15 -0.75 4.52 3.96 1od0A1 MET 280 HB2 0.00 0.13 0.20 -0.04 2.15 2.45 1od0A1 MET 280 HB3 0.01 0.06 0.04 -0.04 2.03 2.10 1od0A1 MET 280 HG2 0.15 -0.07 -0.01 -0.04 2.63 2.66 1od0A1 MET 280 HG3 0.07 0.14 0.00 -0.04 2.56 2.73 1od0A1 MET 280 HE3 -0.23 -0.04 -0.15 -0.04 2.10 1.64 1od0A1 SER 281 H 0.00 0.14 -0.19 -0.55 8.46 7.86 1od0A1 SER 281 HA -0.00 0.18 0.46 -0.75 4.49 4.37 1od0A1 SER 281 HB2 -0.00 0.03 0.03 -0.04 3.95 3.96 1od0A1 SER 281 HB3 -0.00 0.01 0.07 -0.04 3.93 3.97 1od0A1 GLU 282 H 0.00 0.12 -0.25 -0.55 8.60 7.93 1od0A1 GLU 282 HA -0.01 0.09 0.44 -0.75 4.29 4.05 1od0A1 GLU 282 HB2 -0.00 0.09 0.11 -0.04 2.09 2.25 1od0A1 GLU 282 HB3 -0.01 -0.02 -0.01 -0.04 1.99 1.92 1od0A1 GLU 282 HG2 -0.01 0.01 0.01 -0.04 2.34 2.31 1od0A1 GLU 282 HG3 -0.00 -0.05 -0.01 -0.04 2.34 2.24 1od0A1 ILE 283 H -0.01 0.35 -0.21 -0.55 8.25 7.84 1od0A1 ILE 283 HA 0.01 -0.02 0.43 -0.75 4.18 3.85 1od0A1 ILE 283 HB -0.02 0.11 0.01 -0.04 1.89 1.96 1od0A1 ILE 283 HG12 -0.03 -0.04 -0.26 -0.04 1.49 1.12 1od0A1 ILE 283 HG13 -0.03 0.10 -0.06 -0.04 1.21 1.18 1od0A1 ILE 283 HG23 -0.02 0.00 -0.28 -0.04 0.93 0.60 1od0A1 ILE 283 HD13 -0.11 -0.03 -0.15 -0.04 0.88 0.55 1od0A1 GLN 284 H -0.02 0.26 -0.47 -0.55 8.47 7.69 1od0A1 GLN 284 HA -0.06 0.21 0.59 -0.75 4.36 4.34 1od0A1 GLN 284 HB2 -0.01 0.03 0.10 -0.04 2.15 2.23 1od0A1 GLN 284 HB3 -0.02 -0.04 0.16 -0.04 2.02 2.07 1od0A1 GLN 284 HG2 -0.03 0.19 -0.08 -0.04 2.40 2.44 1od0A1 GLN 284 HG3 -0.01 0.10 0.03 -0.04 2.39 2.46 1od0A1 GLN 284 HE21 0.05 -0.04 -0.23 -0.04 6.97 6.71 1od0A1 GLN 284 HE22 0.03 0.13 -0.45 -0.04 7.69 7.36 1od0A1 GLU 285 H -0.03 0.18 -0.69 -0.55 8.60 7.52 1od0A1 GLU 285 HA -0.03 -0.09 0.42 -0.75 4.29 3.84 1od0A1 GLU 285 HB2 -0.04 0.14 0.14 -0.04 2.09 2.28 1od0A1 GLU 285 HB3 -0.07 -0.05 0.04 -0.04 1.99 1.87 1od0A1 GLU 285 HG2 -0.08 -0.05 -0.00 -0.04 2.34 2.16 1od0A1 GLU 285 HG3 -0.06 0.12 -0.16 -0.04 2.34 2.20 1od0A1 LYS 286 H -0.02 -0.00 0.18 -0.55 8.42 8.02 1od0A1 LYS 286 HA -0.06 0.14 0.44 -0.75 4.32 4.09 1od0A1 LYS 286 HB2 0.01 0.02 0.15 -0.04 1.87 2.01 1od0A1 LYS 286 HB3 0.00 -0.09 0.17 -0.04 1.79 1.84 1od0A1 LYS 286 HG2 0.03 -0.00 -0.32 -0.04 1.46 1.13 1od0A1 LYS 286 HG3 0.05 0.06 0.06 -0.04 1.46 1.59 1od0A1 LYS 286 HD2 0.04 -0.02 0.03 -0.04 1.69 1.71 1od0A1 LYS 286 HD3 0.03 -0.06 0.01 -0.04 1.68 1.62 1od0A1 LYS 286 HE2 0.04 -0.06 -0.00 -0.04 2.99 2.94 1od0A1 LYS 286 HE3 0.06 -0.00 -0.08 -0.04 2.99 2.92 1od0A1 ILE 287 H -0.06 0.17 0.23 -0.55 8.25 8.04 1od0A1 ILE 287 HA -0.03 0.18 1.01 -0.75 4.18 4.58 1od0A1 ILE 287 HB -0.09 -0.06 0.20 -0.04 1.89 1.91 1od0A1 ILE 287 HG12 -0.16 0.08 0.07 -0.04 1.49 1.45 1od0A1 ILE 287 HG13 0.04 0.00 -0.21 -0.04 1.21 1.01 1od0A1 ILE 287 HG23 0.06 0.03 -0.09 -0.04 0.93 0.89 1od0A1 ILE 287 HD13 0.00 0.01 -0.06 -0.04 0.88 0.79 1od0A1 ASP 288 H -0.03 0.58 0.42 -0.55 8.40 8.82 1od0A1 ASP 288 HA 0.13 0.17 0.66 -0.75 4.63 4.83 1od0A1 ASP 288 HB2 0.24 -0.07 0.16 -0.04 2.71 3.00 1od0A1 ASP 288 HB3 0.23 0.02 0.08 -0.04 2.70 2.99 1od0A1 PHE 289 H -0.17 0.22 0.20 -0.55 8.34 8.04 1od0A1 PHE 289 HA 0.13 0.26 0.64 -0.75 4.62 4.90 1od0A1 PHE 289 HB2 0.30 0.03 -0.20 -0.04 3.15 3.23 1od0A1 PHE 289 HB3 0.23 0.12 -0.35 -0.04 3.06 3.02 1od0A1 PHE 289 HD2 0.19 0.03 -0.53 -0.04 7.28 6.93 1od0A1 PHE 289 HE2 -0.04 -0.01 -0.35 -0.04 7.38 6.94 1od0A1 PHE 289 HZ -0.06 0.05 -0.32 -0.04 7.32 6.95 1od0A1 VAL 290 H 0.29 0.67 0.30 -0.55 8.24 8.95 1od0A1 VAL 290 HA 0.02 0.11 0.96 -0.75 4.13 4.47 1od0A1 VAL 290 HB 0.13 0.06 0.17 -0.04 2.12 2.45 1od0A1 VAL 290 HG13 0.21 -0.03 -0.10 -0.04 0.97 1.02 1od0A1 VAL 290 HG23 0.20 0.01 -0.07 -0.04 0.95 1.05 1od0A1 GLY 291 H -0.01 0.67 0.32 -0.55 8.43 8.86 1od0A1 GLY 291 HA2 0.27 0.26 0.94 -0.51 4.01 4.97 1od0A1 GLY 291 HA3 0.12 -0.09 0.29 -0.51 4.01 3.82 1od0A1 LEU 292 H 0.17 0.78 0.41 -0.55 8.37 9.18 1od0A1 LEU 292 HA 0.20 0.16 1.07 -0.75 4.35 5.03 1od0A1 LEU 292 HB2 0.16 -0.00 0.10 -0.04 1.64 1.85 1od0A1 LEU 292 HB3 0.22 0.03 0.01 -0.04 1.64 1.86 1od0A1 LEU 292 HG 0.13 0.02 -0.27 -0.04 1.64 1.48 1od0A1 LEU 292 HD13 0.05 -0.00 -0.13 -0.04 0.93 0.81 1od0A1 LEU 292 HD23 0.24 0.03 -0.02 -0.04 0.89 1.10 1od0A1 ASN 293 H 0.15 0.76 0.34 -0.55 8.53 9.24 1od0A1 ASN 293 HA 0.05 0.19 0.95 -0.75 4.76 5.19 1od0A1 ASN 293 HB2 0.11 -0.04 0.10 -0.04 2.88 3.02 1od0A1 ASN 293 HB3 0.12 -0.01 -0.02 -0.04 2.79 2.84 1od0A1 ASN 293 HD21 -0.08 -0.00 -0.23 -0.04 7.03 6.68 1od0A1 ASN 293 HD22 0.00 -0.04 -0.20 -0.04 7.74 7.46 1od0A1 TYR 294 H -0.08 0.62 0.28 -0.55 8.29 8.56 1od0A1 TYR 294 HA 0.08 0.20 0.76 -0.75 4.56 4.85 1od0A1 TYR 294 HB2 0.13 0.08 -0.18 -0.04 3.06 3.05 1od0A1 TYR 294 HB3 0.10 0.02 0.01 -0.04 2.98 3.07 1od0A1 TYR 294 HD2 0.17 0.07 -0.22 -0.04 7.15 7.13 1od0A1 TYR 294 HE2 0.25 -0.03 -0.19 -0.04 6.85 6.84 1od0A1 TYR 295 H -0.65 0.12 0.25 -0.55 8.29 7.46 1od0A1 TYR 295 HA 0.01 0.23 1.12 -0.75 4.56 5.16 1od0A1 TYR 295 HB2 -0.42 -0.01 0.04 -0.04 3.06 2.63 1od0A1 TYR 295 HB3 0.18 -0.00 -0.00 -0.04 2.98 3.11 1od0A1 TYR 295 HD2 0.13 0.11 -0.10 -0.04 7.15 7.25 1od0A1 TYR 295 HE2 0.02 -0.01 -0.21 -0.04 6.85 6.60 1od0A1 SER 296 H -0.71 0.11 0.30 -0.55 8.46 7.60 1od0A1 SER 296 HA -0.01 0.26 1.00 -0.75 4.49 4.99 1od0A1 SER 296 HB2 -0.05 -0.00 -0.31 -0.04 3.95 3.55 1od0A1 SER 296 HB3 -0.39 -0.06 -0.05 -0.04 3.93 3.39 1od0A1 GLY 297 H -0.08 0.44 0.26 -0.55 8.43 8.50 1od0A1 GLY 297 HA2 -0.07 0.04 1.02 -0.51 4.01 4.49 1od0A1 GLY 297 HA3 -0.00 0.03 0.37 -0.51 4.01 3.89 1od0A1 HIS 298 H -0.11 0.69 0.26 -0.55 8.41 8.70 1od0A1 HIS 298 HA 0.10 0.12 0.86 -0.75 4.63 4.95 1od0A1 HIS 298 HB2 0.23 -0.05 -0.07 -0.04 3.26 3.32 1od0A1 HIS 298 HB3 0.53 0.08 -0.08 -0.04 3.20 3.69 1od0A1 HIS 298 HD2 -0.41 -0.06 -0.34 -0.04 6.97 6.12 1od0A1 HIS 298 HE1 -0.19 0.00 -0.09 -0.04 7.75 7.43 1od0A1 LEU 299 H 0.12 0.20 0.17 -0.55 8.37 8.32 1od0A1 LEU 299 HA 0.01 0.24 0.90 -0.75 4.35 4.74 1od0A1 LEU 299 HB2 0.02 -0.05 0.07 -0.04 1.64 1.64 1od0A1 LEU 299 HB3 0.07 0.19 0.15 -0.04 1.64 2.01 1od0A1 LEU 299 HG 0.02 -0.03 -0.15 -0.04 1.64 1.43 1od0A1 LEU 299 HD13 -0.02 0.06 -0.31 -0.04 0.93 0.61 1od0A1 LEU 299 HD23 0.02 -0.01 -0.04 -0.04 0.89 0.82 1od0A1 VAL 300 H 0.00 0.68 0.40 -0.55 8.24 8.77 1od0A1 VAL 300 HA -0.08 0.30 1.02 -0.75 4.13 4.61 1od0A1 VAL 300 HB -0.04 -0.00 -0.10 -0.04 2.12 1.94 1od0A1 VAL 300 HG13 -0.17 -0.01 -0.31 -0.04 0.97 0.44 1od0A1 VAL 300 HG23 -0.22 -0.00 -0.37 -0.04 0.95 0.31 1od0A1 LYS 301 H -0.09 0.65 0.31 -0.55 8.42 8.74 1od0A1 LYS 301 HA 0.01 -0.02 0.81 -0.75 4.32 4.36 1od0A1 PHE 302 H 0.15 0.04 0.19 -0.55 8.34 8.16 1od0A1 PHE 302 HA -0.08 0.26 0.71 -0.75 4.62 4.75 1od0A1 PHE 302 HB2 -0.05 -0.05 0.16 -0.04 3.15 3.16 1od0A1 PHE 302 HB3 -0.04 -0.05 0.10 -0.04 3.06 3.04 1od0A1 PHE 302 HD2 -0.06 -0.01 -0.12 -0.04 7.28 7.05 1od0A1 PHE 302 HE2 -0.05 -0.00 -0.06 -0.04 7.38 7.22 1od0A1 PHE 302 HZ -0.04 -0.03 -0.07 -0.04 7.32 7.13 1od0A1 ASP 303 H -1.15 0.57 0.04 -0.55 8.40 7.32 1od0A1 ASP 303 HA -0.29 0.10 0.49 -0.75 4.63 4.17 1od0A1 ASP 303 HB2 -0.14 0.05 -0.10 -0.04 2.71 2.47 1od0A1 ASP 303 HB3 -0.25 -0.12 -0.33 -0.04 2.70 1.97 1od0A1 PRO 304 HA -0.28 0.15 0.35 -0.51 4.44 4.16 1od0A1 PRO 304 HB2 0.01 0.04 0.08 -0.04 2.28 2.37 1od0A1 PRO 304 HB3 0.15 0.05 0.05 -0.04 2.02 2.23 1od0A1 PRO 304 HG2 0.10 0.05 0.04 -0.04 2.03 2.17 1od0A1 PRO 304 HG3 0.46 0.03 -0.01 -0.04 2.03 2.47 1od0A1 PRO 304 HD2 -0.07 0.13 0.09 -0.04 3.68 3.78 1od0A1 PRO 304 HD3 -0.07 0.14 0.09 -0.04 3.65 3.77 1od0A1 ALA 308 HA -0.26 0.00 0.18 -0.75 4.34 3.51 1od0A1 ALA 308 HB3 -0.28 -0.01 0.06 -0.04 1.41 1.13 1od0A1 LYS 309 H -0.16 0.23 0.50 -0.55 8.42 8.44 1od0A1 LYS 309 HA -0.33 0.26 0.27 -0.75 4.32 3.76 1od0A1 LYS 309 HB2 -0.27 0.22 0.11 -0.04 1.87 1.90 1od0A1 LYS 309 HB3 -0.26 -0.14 0.26 -0.04 1.79 1.61 1od0A1 VAL 310 H -0.18 0.22 -0.31 -0.55 8.24 7.42 1od0A1 VAL 310 HA -0.21 0.19 0.89 -0.75 4.13 4.25 1od0A1 VAL 310 HB -0.12 -0.02 -0.10 -0.04 2.12 1.84 1od0A1 VAL 310 HG13 -0.29 -0.03 -0.27 -0.04 0.97 0.34 1od0A1 VAL 310 HG23 -0.10 0.02 -0.25 -0.04 0.95 0.58 1od0A1 SER 311 H -0.14 0.54 0.18 -0.55 8.46 8.49 1od0A1 SER 311 HA 0.01 0.18 0.92 -0.75 4.49 4.85 1od0A1 SER 311 HB2 0.04 0.02 0.08 -0.04 3.95 4.06 1od0A1 SER 311 HB3 -0.05 -0.01 -0.12 -0.04 3.93 3.71 1od0A1 PHE 312 H 0.40 0.14 0.13 -0.55 8.34 8.46 1od0A1 PHE 312 HA 0.07 0.25 0.93 -0.75 4.62 5.12 1od0A1 PHE 312 HB2 0.07 -0.03 0.06 -0.04 3.15 3.21 1od0A1 PHE 312 HB3 0.13 0.05 -0.00 -0.04 3.06 3.19 1od0A1 PHE 312 HD2 0.11 -0.01 -0.02 -0.04 7.28 7.32 1od0A1 PHE 312 HE2 -0.09 0.00 -0.11 -0.04 7.38 7.14 1od0A1 PHE 312 HZ -0.01 -0.01 -0.11 -0.04 7.32 7.14 1od0A1 VAL 313 H 0.16 0.70 0.18 -0.55 8.24 8.72 1od0A1 VAL 313 HA 0.10 0.14 0.89 -0.75 4.13 4.50 1od0A1 VAL 313 HB 0.06 -0.06 -0.03 -0.04 2.12 2.05 1od0A1 VAL 313 HG13 0.05 0.02 -0.23 -0.04 0.97 0.77 1od0A1 VAL 313 HG23 0.04 -0.01 -0.19 -0.04 0.95 0.75 1od0A1 GLU 314 H 0.09 0.13 0.08 -0.55 8.60 8.35 1od0A1 GLU 314 HA 0.10 0.02 0.53 -0.75 4.29 4.18 1od0A1 GLU 314 HB2 0.07 -0.03 0.15 -0.04 2.09 2.24 1od0A1 GLU 314 HB3 0.06 -0.01 0.03 -0.04 1.99 2.03 1od0A1 GLU 314 HG2 0.07 0.15 0.13 -0.04 2.34 2.64 1od0A1 GLU 314 HG3 0.08 -0.03 0.08 -0.04 2.34 2.42 1od0A1 ARG 315 H 0.07 0.13 0.23 -0.55 8.46 8.33 1od0A1 ARG 315 HA 0.04 0.16 0.83 -0.75 4.34 4.62 1od0A1 ARG 315 HB2 0.04 0.01 -0.01 -0.04 1.90 1.90 1od0A1 ARG 315 HB3 0.03 -0.13 0.07 -0.04 1.80 1.73 1od0A1 ARG 315 HG2 0.03 0.03 -0.05 -0.04 1.67 1.64 1od0A1 ARG 315 HG3 0.05 0.15 -0.15 -0.04 1.67 1.68 1od0A1 ARG 315 HD2 0.01 -0.02 -0.04 -0.04 3.22 3.13 1od0A1 ARG 315 HD3 0.01 0.02 -0.04 -0.04 3.22 3.17 1od0A1 ASP 316 H 0.04 0.06 0.07 -0.55 8.40 8.02 1od0A1 ASP 316 HA 0.04 0.11 0.50 -0.75 4.63 4.53 1od0A1 ASP 316 HB2 0.03 -0.00 0.19 -0.04 2.71 2.89 1od0A1 ASP 316 HB3 0.04 -0.34 0.24 -0.04 2.70 2.59 1od0A1 LEU 317 H 0.04 0.01 0.06 -0.55 8.37 7.94 1od0A1 LEU 317 HA 0.06 0.01 0.42 -0.75 4.35 4.08 1od0A1 LEU 317 HB2 0.06 0.09 -0.50 -0.04 1.64 1.24 1od0A1 LEU 317 HB3 0.07 0.11 -0.02 -0.04 1.64 1.76 1od0A1 LEU 317 HG 0.05 0.06 -0.04 -0.04 1.64 1.67 1od0A1 LEU 317 HD13 0.04 -0.02 0.07 -0.04 0.93 0.98 1od0A1 LEU 317 HD23 0.03 -0.04 -0.15 -0.04 0.89 0.69 1od0A1 PRO 318 HA 0.09 0.04 0.57 -0.51 4.44 4.63 1od0A1 PRO 318 HB2 0.16 0.02 0.03 -0.04 2.28 2.45 1od0A1 PRO 318 HB3 0.10 0.01 0.15 -0.04 2.02 2.23 1od0A1 PRO 318 HG2 0.12 0.06 0.17 -0.04 2.03 2.34 1od0A1 PRO 318 HG3 0.08 0.03 0.11 -0.04 2.03 2.22 1od0A1 PRO 318 HD2 0.07 0.08 0.28 -0.04 3.68 4.07 1od0A1 PRO 318 HD3 0.06 0.10 0.16 -0.04 3.65 3.93 1od0A1 LYS 319 H 0.12 0.15 0.25 -0.55 8.42 8.38 1od0A1 LYS 319 HA 0.14 0.27 0.83 -0.75 4.32 4.81 1od0A1 LYS 319 HB2 0.07 -0.04 0.02 -0.04 1.87 1.88 1od0A1 LYS 319 HB3 0.07 -0.15 -0.18 -0.04 1.79 1.50 1od0A1 LYS 319 HG2 0.10 -0.06 -0.33 -0.04 1.46 1.13 1od0A1 LYS 319 HG3 0.09 0.23 -0.46 -0.04 1.46 1.28 1od0A1 LYS 319 HD2 0.06 -0.07 0.01 -0.04 1.69 1.64 1od0A1 LYS 319 HD3 0.06 -0.07 -0.02 -0.04 1.68 1.61 1od0A1 LYS 319 HE2 0.07 -0.12 0.06 -0.04 2.99 2.96 1od0A1 LYS 319 HE3 0.07 0.08 0.06 -0.04 2.99 3.15 1od0A1 THR 320 H 0.05 0.40 0.22 -0.55 8.28 8.40 1od0A1 THR 320 HA -0.32 0.17 0.79 -0.75 4.39 4.27 1od0A1 THR 320 HB -0.74 0.20 0.35 -0.04 4.32 4.08 1od0A1 THR 320 HG23 -0.02 0.11 0.07 -0.04 1.22 1.33 1od0A1 ALA 321 H -0.49 0.67 0.30 -0.55 8.40 8.33 1od0A1 ALA 321 HA -0.13 0.15 0.50 -0.75 4.34 4.11 1od0A1 ALA 321 HB3 -0.20 -0.02 -0.03 -0.04 1.41 1.12 1od0A1 MET 322 H -0.53 -0.00 -0.28 -0.55 8.47 7.11 1od0A1 MET 322 HA -0.47 0.18 0.57 -0.75 4.52 4.05 1od0A1 MET 322 HB2 -1.54 -0.13 0.00 -0.04 2.15 0.44 1od0A1 MET 322 HB3 -2.08 0.08 0.02 -0.04 2.03 0.02 1od0A1 MET 322 HG2 -0.90 -0.11 -0.00 -0.04 2.63 1.57 1od0A1 MET 322 HG3 -2.02 0.02 -0.03 -0.04 2.56 0.49 1od0A1 MET 322 HE3 -0.35 0.01 -0.02 -0.04 2.10 1.70 1od0A1 GLY 323 H -0.19 0.45 -0.49 -0.55 8.43 7.65 1od0A1 GLY 323 HA2 0.00 0.11 0.25 -0.51 4.01 3.86 1od0A1 GLY 323 HA3 0.01 0.13 0.59 -0.51 4.01 4.22 1od0A1 TRP 324 H -0.03 -0.13 -0.16 -0.55 7.97 7.10 1od0A1 TRP 324 HA -0.00 0.18 0.59 -0.75 4.62 4.63 1od0A1 TRP 324 HB2 0.01 -0.13 0.06 -0.04 3.23 3.13 1od0A1 TRP 324 HB3 0.03 0.09 -0.09 -0.04 3.23 3.22 1od0A1 TRP 324 HD1 0.03 0.13 -0.37 -0.04 7.22 6.98 1od0A1 TRP 324 HE1 0.03 0.06 -0.09 -0.04 10.20 10.16 1od0A1 TRP 324 HE3 0.10 0.05 -0.05 -0.04 7.59 7.65 1od0A1 TRP 324 HZ2 0.02 0.03 -0.07 -0.04 7.44 7.38 1od0A1 TRP 324 HZ3 -0.51 0.02 -0.09 -0.04 7.13 6.51 1od0A1 TRP 324 HH2 -0.25 -0.01 -0.09 -0.04 7.19 6.79 1od0A1 GLU 325 H 0.07 0.19 0.21 -0.55 8.60 8.53 1od0A1 GLU 325 HA 0.13 0.26 0.56 -0.75 4.29 4.48 1od0A1 GLU 325 HB2 -0.04 0.09 0.17 -0.04 2.09 2.27 1od0A1 GLU 325 HB3 0.05 0.00 -0.06 -0.04 1.99 1.94 1od0A1 GLU 325 HG2 0.07 0.22 -0.03 -0.04 2.34 2.55 1od0A1 GLU 325 HG3 0.06 -0.01 0.12 -0.04 2.34 2.47 1od0A1 ILE 326 H 0.17 0.66 0.26 -0.55 8.25 8.79 1od0A1 ILE 326 HA 0.34 0.07 0.57 -0.75 4.18 4.40 1od0A1 ILE 326 HB 0.20 0.03 0.19 -0.04 1.89 2.27 1od0A1 ILE 326 HG12 0.41 0.00 -0.09 -0.04 1.49 1.77 1od0A1 ILE 326 HG13 0.25 0.20 -0.21 -0.04 1.21 1.40 1od0A1 ILE 326 HG23 0.28 -0.02 -0.06 -0.04 0.93 1.09 1od0A1 ILE 326 HD13 0.45 -0.03 -0.18 -0.04 0.88 1.09 1od0A1 VAL 327 H 0.28 0.23 0.08 -0.55 8.24 8.28 1od0A1 VAL 327 HA 0.12 0.25 0.86 -0.75 4.13 4.60 1od0A1 VAL 327 HB 0.30 -0.06 0.12 -0.04 2.12 2.44 1od0A1 VAL 327 HG13 0.24 -0.03 -0.08 -0.04 0.97 1.07 1od0A1 VAL 327 HG23 0.08 0.04 -0.32 -0.04 0.95 0.71 1od0A1 PRO 328 HA -0.59 0.08 0.27 -0.51 4.44 3.68 1od0A1 PRO 328 HB2 -0.16 0.06 -0.03 -0.04 2.28 2.12 1od0A1 PRO 328 HB3 -0.54 0.07 -0.19 -0.04 2.02 1.32 1od0A1 PRO 328 HG2 -0.12 0.09 0.01 -0.04 2.03 1.96 1od0A1 PRO 328 HG3 -0.36 0.05 -0.03 -0.04 2.03 1.65 1od0A1 PRO 328 HD2 -0.00 0.12 0.10 -0.04 3.68 3.86 1od0A1 PRO 328 HD3 0.03 0.25 -0.29 -0.04 3.65 3.59 1od0A1 GLU 329 H 0.03 0.16 -0.26 -0.55 8.60 7.99 1od0A1 GLU 329 HA 0.02 0.09 0.41 -0.75 4.29 4.05 1od0A1 GLU 329 HB2 0.04 0.04 0.10 -0.04 2.09 2.23 1od0A1 GLU 329 HB3 0.02 0.05 0.06 -0.04 1.99 2.07 1od0A1 GLU 329 HG2 0.22 0.02 -0.26 -0.04 2.34 2.27 1od0A1 GLU 329 HG3 0.18 0.06 -0.07 -0.04 2.34 2.47 1od0A1 GLY 330 H 0.07 0.51 -0.49 -0.55 8.43 7.97 1od0A1 GLY 330 HA2 -0.83 0.04 0.45 -0.51 4.01 3.16 1od0A1 GLY 330 HA3 -0.07 0.08 0.21 -0.51 4.01 3.73 1od0A1 ILE 331 H -0.25 0.41 -0.14 -0.55 8.25 7.73 1od0A1 ILE 331 HA -0.44 0.05 0.35 -0.75 4.18 3.39 1od0A1 ILE 331 HB 0.13 -0.03 0.06 -0.04 1.89 2.02 1od0A1 ILE 331 HG12 0.17 0.02 -0.04 -0.04 1.49 1.60 1od0A1 ILE 331 HG13 0.12 -0.04 -0.02 -0.04 1.21 1.23 1od0A1 ILE 331 HG23 0.19 0.08 -0.07 -0.04 0.93 1.10 1od0A1 ILE 331 HD13 0.43 0.02 -0.04 -0.04 0.88 1.25 1od0A1 TYR 332 H 0.09 0.14 -0.27 -0.55 8.29 7.71 1od0A1 TYR 332 HA -0.01 0.13 0.51 -0.75 4.56 4.43 1od0A1 TYR 332 HB2 0.01 0.11 0.10 -0.04 3.06 3.24 1od0A1 TYR 332 HB3 -0.02 -0.00 0.14 -0.04 2.98 3.06 1od0A1 TYR 332 HD2 0.00 0.03 -0.07 -0.04 7.15 7.07 1od0A1 TYR 332 HE2 -0.01 0.04 -0.12 -0.04 6.85 6.72 1od0A1 TRP 333 H 0.12 0.52 -0.10 -0.55 7.97 7.96 1od0A1 TRP 333 HA -0.26 0.04 0.33 -0.75 4.62 3.97 1od0A1 TRP 333 HB2 -0.46 0.05 0.12 -0.04 3.23 2.90 1od0A1 TRP 333 HB3 -0.64 0.04 0.17 -0.04 3.23 2.76 1od0A1 TRP 333 HD1 0.03 0.01 0.00 -0.04 7.22 7.22 1od0A1 TRP 333 HE1 0.06 0.01 -0.01 -0.04 10.20 10.22 1od0A1 TRP 333 HE3 -0.02 0.05 -0.20 -0.04 7.59 7.37 1od0A1 TRP 333 HZ2 -0.10 0.01 -0.02 -0.04 7.44 7.29 1od0A1 TRP 333 HZ3 0.22 0.01 0.01 -0.04 7.13 7.33 1od0A1 TRP 333 HH2 -0.69 -0.01 0.00 -0.04 7.19 6.45 1od0A1 ILE 334 H 0.08 0.59 -0.17 -0.55 8.25 8.20 1od0A1 ILE 334 HA -0.06 0.01 0.43 -0.75 4.18 3.81 1od0A1 ILE 334 HB 0.29 0.05 0.02 -0.04 1.89 2.21 1od0A1 ILE 334 HG12 0.38 -0.01 -0.05 -0.04 1.49 1.77 1od0A1 ILE 334 HG13 0.43 -0.02 0.04 -0.04 1.21 1.62 1od0A1 ILE 334 HG23 0.06 0.03 -0.12 -0.04 0.93 0.85 1od0A1 ILE 334 HD13 0.65 -0.01 0.00 -0.04 0.88 1.48 1od0A1 LEU 335 H -0.11 0.39 -0.31 -0.55 8.37 7.79 1od0A1 LEU 335 HA -0.08 0.02 0.49 -0.75 4.35 4.03 1od0A1 LEU 335 HB2 -0.14 0.09 0.20 -0.04 1.64 1.75 1od0A1 LEU 335 HB3 -0.09 -0.01 -0.01 -0.04 1.64 1.48 1od0A1 LEU 335 HG 0.03 0.10 0.07 -0.04 1.64 1.80 1od0A1 LEU 335 HD13 0.10 -0.02 -0.03 -0.04 0.93 0.94 1od0A1 LEU 335 HD23 0.05 -0.02 -0.09 -0.04 0.89 0.79 1od0A1 LYS 336 H -0.45 0.56 -0.11 -0.55 8.42 7.87 1od0A1 LYS 336 HA -0.31 0.09 0.38 -0.75 4.32 3.72 1od0A1 LYS 336 HB2 -0.65 0.08 0.17 -0.04 1.87 1.43 1od0A1 LYS 336 HB3 -0.42 -0.03 0.00 -0.04 1.79 1.30 1od0A1 LYS 336 HG2 -1.33 0.15 0.01 -0.04 1.46 0.25 1od0A1 LYS 336 HG3 -0.89 -0.06 -0.03 -0.04 1.46 0.44 1od0A1 LYS 336 HD2 -0.34 -0.03 -0.04 -0.04 1.69 1.25 1od0A1 LYS 336 HD3 -0.35 -0.01 0.00 -0.04 1.68 1.28 1od0A1 LYS 336 HE2 -0.23 -0.06 0.04 -0.04 2.99 2.70 1od0A1 LYS 336 HE3 -0.16 0.21 0.02 -0.04 2.99 3.02 1od0A1 LYS 337 H -0.63 0.61 -0.07 -0.55 8.42 7.77 1od0A1 LYS 337 HA -0.43 0.01 0.32 -0.75 4.32 3.47 1od0A1 LYS 337 HB2 -1.63 0.24 0.16 -0.04 1.87 0.60 1od0A1 LYS 337 HB3 -0.42 -0.00 0.07 -0.04 1.79 1.39 1od0A1 LYS 337 HG2 -1.24 -0.05 -0.01 -0.04 1.46 0.12 1od0A1 LYS 337 HG3 -0.26 -0.03 -0.02 -0.04 1.46 1.11 1od0A1 LYS 337 HD2 -0.50 0.02 0.02 -0.04 1.69 1.19 1od0A1 LYS 337 HD3 -0.71 -0.01 -0.00 -0.04 1.68 0.91 1od0A1 LYS 337 HE2 -0.14 0.01 -0.02 -0.04 2.99 2.80 1od0A1 LYS 337 HE3 -0.09 0.01 -0.02 -0.04 2.99 2.85 1od0A1 VAL 338 H -0.20 0.52 -0.26 -0.55 8.24 7.75 1od0A1 VAL 338 HA -0.22 -0.04 0.36 -0.75 4.13 3.46 1od0A1 VAL 338 HB -0.46 0.04 0.11 -0.04 2.12 1.77 1od0A1 VAL 338 HG13 -0.14 0.07 -0.03 -0.04 0.97 0.83 1od0A1 VAL 338 HG23 -0.63 -0.03 -0.02 -0.04 0.95 0.23 1od0A1 LYS 339 H -0.18 0.43 -0.18 -0.55 8.42 7.94 1od0A1 LYS 339 HA -0.12 0.03 0.61 -0.75 4.32 4.09 1od0A1 LYS 339 HB2 -0.12 0.00 0.10 -0.04 1.87 1.81 1od0A1 LYS 339 HB3 -0.15 0.09 0.14 -0.04 1.79 1.83 1od0A1 GLU 340 H -0.18 0.54 -0.07 -0.55 8.60 8.34 1od0A1 GLU 340 HA -0.13 0.03 0.36 -0.75 4.29 3.80 1od0A1 GLU 340 HB2 -0.16 -0.01 0.08 -0.04 2.09 1.95 1od0A1 GLU 340 HB3 -0.19 0.06 0.16 -0.04 1.99 1.98 1od0A1 GLU 340 HG2 -0.13 0.02 -0.24 -0.04 2.34 1.95 1od0A1 GLU 340 HG3 -0.11 -0.03 0.01 -0.04 2.34 2.18 1od0A1 GLU 341 H -0.17 0.35 -0.24 -0.55 8.60 7.99 1od0A1 GLU 341 HA -0.31 0.11 0.55 -0.75 4.29 3.89 1od0A1 GLU 341 HB2 -0.22 0.02 0.07 -0.04 2.09 1.92 1od0A1 GLU 341 HB3 -0.81 -0.07 0.00 -0.04 1.99 1.08 1od0A1 GLU 341 HG2 -0.14 -0.03 -0.07 -0.04 2.34 2.07 1od0A1 GLU 341 HG3 -0.11 0.09 -0.02 -0.04 2.34 2.25 1od0A1 TYR 342 H -0.16 0.34 0.04 -0.55 8.29 7.96 1od0A1 TYR 342 HA -0.24 0.21 0.94 -0.75 4.56 4.72 1od0A1 TYR 342 HB2 -0.26 0.01 -0.01 -0.04 3.06 2.76 1od0A1 TYR 342 HB3 -0.76 0.01 0.03 -0.04 2.98 2.23 1od0A1 TYR 342 HD2 0.02 0.06 -0.08 -0.04 7.15 7.11 1od0A1 TYR 342 HE2 0.25 -0.05 -0.11 -0.04 6.85 6.89 1od0A1 ASN 343 H -0.14 0.15 0.14 -0.55 8.53 8.14 1od0A1 ASN 343 HA -0.10 -0.05 0.44 -0.75 4.76 4.29 1od0A1 ASN 343 HB2 -0.10 0.12 0.02 -0.04 2.88 2.87 1od0A1 ASN 343 HB3 -0.10 -0.00 -0.03 -0.04 2.79 2.62 1od0A1 ASN 343 HD21 -0.04 -0.04 0.00 -0.04 7.03 6.91 1od0A1 ASN 343 HD22 -0.04 -0.03 0.03 -0.04 7.74 7.65 1od0A1 PRO 344 HA 0.03 0.15 0.42 -0.51 4.44 4.53 1od0A1 PRO 344 HB2 0.12 0.05 -0.07 -0.04 2.28 2.33 1od0A1 PRO 344 HB3 0.14 -0.02 -0.01 -0.04 2.02 2.08 1od0A1 PRO 344 HG2 -0.00 0.01 -0.16 -0.04 2.03 1.84 1od0A1 PRO 344 HG3 -0.00 -0.09 -0.08 -0.04 2.03 1.82 1od0A1 PRO 344 HD2 -0.09 0.02 -0.05 -0.04 3.68 3.52 1od0A1 PRO 344 HD3 -0.11 0.05 -0.21 -0.04 3.65 3.34 1od0A1 PRO 345 HA 0.03 0.07 0.43 -0.51 4.44 4.46 1od0A1 PRO 345 HB2 0.09 0.02 0.06 -0.04 2.28 2.40 1od0A1 PRO 345 HB3 0.07 -0.02 0.17 -0.04 2.02 2.20 1od0A1 PRO 345 HG2 0.15 0.26 0.17 -0.04 2.03 2.57 1od0A1 PRO 345 HG3 0.12 0.04 0.17 -0.04 2.03 2.32 1od0A1 PRO 345 HD2 0.19 0.02 0.18 -0.04 3.68 4.02 1od0A1 PRO 345 HD3 0.13 0.17 0.24 -0.04 3.65 4.15 1od0A1 GLU 346 H 0.14 0.17 -0.02 -0.55 8.60 8.34 1od0A1 GLU 346 HA 0.01 0.31 0.83 -0.75 4.29 4.69 1od0A1 GLU 346 HB2 0.25 0.05 0.11 -0.04 2.09 2.46 1od0A1 GLU 346 HB3 0.02 -0.08 -0.03 -0.04 1.99 1.86 1od0A1 GLU 346 HG2 0.01 0.08 0.06 -0.04 2.34 2.45 1od0A1 GLU 346 HG3 0.08 -0.00 -0.33 -0.04 2.34 2.05 1od0A1 VAL 347 H -0.06 0.68 0.25 -0.55 8.24 8.55 1od0A1 VAL 347 HA 0.18 0.24 0.95 -0.75 4.13 4.74 1od0A1 VAL 347 HB 0.00 -0.05 -0.14 -0.04 2.12 1.90 1od0A1 VAL 347 HG13 0.08 -0.02 -0.11 -0.04 0.97 0.87 1od0A1 VAL 347 HG23 0.00 0.02 -0.24 -0.04 0.95 0.70 1od0A1 TYR 348 H 0.34 0.59 0.32 -0.55 8.29 8.99 1od0A1 TYR 348 HA 0.05 0.18 0.71 -0.75 4.56 4.75 1od0A1 TYR 348 HB2 0.08 -0.11 -0.08 -0.04 3.06 2.90 1od0A1 TYR 348 HB3 0.04 0.05 -0.35 -0.04 2.98 2.68 1od0A1 TYR 348 HD2 -0.09 -0.05 -0.31 -0.04 7.15 6.67 1od0A1 TYR 348 HE2 -0.29 0.07 -0.25 -0.04 6.85 6.34 1od0A1 ILE 349 H 0.22 0.59 0.18 -0.55 8.25 8.68 1od0A1 ILE 349 HA 0.17 0.27 0.96 -0.75 4.18 4.83 1od0A1 ILE 349 HB 0.27 -0.01 0.29 -0.04 1.89 2.39 1od0A1 ILE 349 HG12 0.25 0.02 0.02 -0.04 1.49 1.74 1od0A1 ILE 349 HG13 0.38 -0.02 0.02 -0.04 1.21 1.55 1od0A1 ILE 349 HG23 0.08 -0.01 -0.08 -0.04 0.93 0.88 1od0A1 ILE 349 HD13 0.19 0.01 -0.00 -0.04 0.88 1.03 1od0A1 THR 350 H 0.10 0.34 -0.01 -0.55 8.28 8.16 1od0A1 THR 350 HA -0.04 0.15 0.46 -0.75 4.39 4.21 1od0A1 THR 350 HB -0.13 -0.03 -0.12 -0.04 4.32 4.00 1od0A1 THR 350 HG23 -0.07 0.02 -0.20 -0.04 1.22 0.93 1od0A1 GLU 351 H 0.03 0.28 -0.05 -0.55 8.60 8.31 1od0A1 GLU 351 HA 0.13 0.18 0.38 -0.75 4.29 4.24 1od0A1 GLU 351 HB2 0.01 -0.13 -0.05 -0.04 2.09 1.87 1od0A1 GLU 351 HB3 0.02 -0.02 -0.13 -0.04 1.99 1.82 1od0A1 GLU 351 HG2 0.38 0.03 -0.06 -0.04 2.34 2.65 1od0A1 GLU 351 HG3 0.08 0.13 -0.42 -0.04 2.34 2.09 1od0A1 ASN 352 H 0.03 0.18 0.25 -0.55 8.53 8.44 1od0A1 ASN 352 HA -0.36 0.24 0.56 -0.75 4.76 4.44 1od0A1 ASN 352 HB2 0.05 0.07 0.10 -0.04 2.88 3.06 1od0A1 ASN 352 HB3 -0.08 0.00 0.01 -0.04 2.79 2.68 1od0A1 ASN 352 HD21 -0.25 -0.09 0.01 -0.04 7.03 6.65 1od0A1 ASN 352 HD22 0.09 0.50 0.25 -0.04 7.74 8.54 1od0A1 GLY 353 H 0.04 0.36 0.29 -0.55 8.43 8.58 1od0A1 GLY 353 HA2 0.19 0.02 0.42 -0.51 4.01 4.12 1od0A1 GLY 353 HA3 0.36 0.41 0.57 -0.51 4.01 4.83 1od0A1 ALA 354 H 0.16 0.40 0.26 -0.55 8.40 8.67 1od0A1 ALA 354 HA -0.11 0.08 0.82 -0.75 4.34 4.37 1od0A1 ALA 354 HB3 -0.85 0.02 -0.10 -0.04 1.41 0.44 1od0A1 ALA 355 H -0.88 0.09 0.17 -0.55 8.40 7.23 1od0A1 ALA 355 HA -0.71 0.55 1.05 -0.75 4.34 4.47 1od0A1 ALA 355 HB3 -1.16 -0.04 -0.05 -0.04 1.41 0.12 1od0A1 PHE 356 H -0.15 0.49 0.32 -0.55 8.34 8.46 1od0A1 PHE 356 HA -0.12 0.08 0.72 -0.75 4.62 4.54 1od0A1 PHE 356 HB2 -0.07 -0.01 -0.01 -0.04 3.15 3.02 1od0A1 PHE 356 HB3 -0.05 0.01 0.02 -0.04 3.06 3.00 1od0A1 PHE 356 HD2 -0.06 0.02 -0.06 -0.04 7.28 7.14 1od0A1 PHE 356 HE2 -0.01 0.12 -0.13 -0.04 7.38 7.32 1od0A1 PHE 356 HZ 0.10 0.08 -0.13 -0.04 7.32 7.33 1od0A1 ASP 357 H 0.13 0.17 0.10 -0.55 8.40 8.25 1od0A1 ASP 357 HA 0.03 0.15 0.69 -0.75 4.63 4.76 1od0A1 ASP 357 HB2 0.04 -0.02 0.23 -0.04 2.71 2.92 1od0A1 ASP 357 HB3 0.03 0.08 0.13 -0.04 2.70 2.90 1od0A1 ASP 358 H 0.08 0.38 0.15 -0.55 8.40 8.46 1od0A1 ASP 358 HA 0.05 -0.03 0.35 -0.75 4.63 4.25 1od0A1 ASP 358 HB2 0.25 0.01 0.04 -0.04 2.71 2.97 1od0A1 ASP 358 HB3 0.11 -0.05 -0.04 -0.04 2.70 2.68 1od0A1 VAL 359 H -0.02 0.15 0.19 -0.55 8.24 8.01 1od0A1 VAL 359 HA -0.04 0.15 0.61 -0.75 4.13 4.10 1od0A1 VAL 359 HB -0.03 0.09 -0.05 -0.04 2.12 2.08 1od0A1 VAL 359 HG13 0.02 0.04 -0.15 -0.04 0.97 0.84 1od0A1 VAL 359 HG23 -0.01 -0.02 -0.01 -0.04 0.95 0.87 1od0A1 VAL 360 H -0.27 0.17 0.04 -0.55 8.24 7.63 1od0A1 VAL 360 HA -0.25 0.13 0.61 -0.75 4.13 3.86 1od0A1 VAL 360 HB -0.19 0.00 0.09 -0.04 2.12 1.98 1od0A1 VAL 360 HG13 -0.16 0.07 -0.22 -0.04 0.97 0.62 1od0A1 VAL 360 HG23 -0.63 -0.01 -0.09 -0.04 0.95 0.18 1od0A1 SER 361 H -0.12 0.59 0.30 -0.55 8.46 8.68 1od0A1 SER 361 HA -0.02 0.12 0.53 -0.75 4.49 4.37 1od0A1 SER 361 HB2 0.02 -0.08 0.11 -0.04 3.95 3.96 1od0A1 SER 361 HB3 0.07 -0.10 0.19 -0.04 3.93 4.05 1od0A1 GLU 362 H 0.00 0.16 0.18 -0.55 8.60 8.39 1od0A1 GLU 362 HA -0.02 0.16 0.42 -0.75 4.29 4.10 1od0A1 GLU 362 HB2 -0.00 0.05 -0.02 -0.04 2.09 2.07 1od0A1 GLU 362 HB3 -0.01 0.06 0.12 -0.04 1.99 2.13 1od0A1 GLU 362 HG2 0.00 -0.10 0.19 -0.04 2.34 2.40 1od0A1 GLU 362 HG3 0.00 0.01 0.09 -0.04 2.34 2.40 1od0A1 ASP 363 H 0.03 -0.01 -0.22 -0.55 8.40 7.65 1od0A1 ASP 363 HA 0.01 0.20 0.54 -0.75 4.63 4.62 1od0A1 ASP 363 HB2 0.04 0.08 0.13 -0.04 2.71 2.92 1od0A1 ASP 363 HB3 0.04 0.01 0.07 -0.04 2.70 2.78 1od0A1 GLY 364 H -0.04 0.47 -0.72 -0.55 8.43 7.60 1od0A1 GLY 364 HA2 -0.07 0.06 0.20 -0.51 4.01 3.69 1od0A1 GLY 364 HA3 -0.04 0.11 0.34 -0.51 4.01 3.91 1od0A1 ARG 365 H -0.11 -0.06 -0.35 -0.55 8.46 7.39 1od0A1 ARG 365 HA -0.13 0.30 0.87 -0.75 4.34 4.63 1od0A1 ARG 365 HB2 -0.76 -0.11 -0.15 -0.04 1.90 0.85 1od0A1 ARG 365 HB3 -0.12 0.09 0.02 -0.04 1.80 1.75 1od0A1 ARG 365 HG2 -0.04 -0.10 -0.40 -0.04 1.67 1.09 1od0A1 ARG 365 HG3 0.08 -0.05 -0.10 -0.04 1.67 1.56 1od0A1 ARG 365 HD2 0.00 0.10 -0.19 -0.04 3.22 3.09 1od0A1 ARG 365 HD3 0.03 0.04 -0.06 -0.04 3.22 3.19 1od0A1 VAL 366 H -0.19 0.29 0.12 -0.55 8.24 7.92 1od0A1 VAL 366 HA -0.21 0.33 1.00 -0.75 4.13 4.49 1od0A1 VAL 366 HB -0.09 -0.07 0.20 -0.04 2.12 2.11 1od0A1 VAL 366 HG13 -0.02 -0.01 -0.10 -0.04 0.97 0.79 1od0A1 VAL 366 HG23 -0.29 0.04 -0.26 -0.04 0.95 0.40 1od0A1 HIS 367 H -0.11 0.32 0.06 -0.55 8.41 8.13 1od0A1 HIS 367 HA -0.00 0.11 0.61 -0.75 4.63 4.59 1od0A1 HIS 367 HB2 -0.03 0.05 0.24 -0.04 3.26 3.48 1od0A1 HIS 367 HB3 -0.02 0.02 0.15 -0.04 3.20 3.31 1od0A1 HIS 367 HD2 -0.02 0.01 0.03 -0.04 6.97 6.94 1od0A1 HIS 367 HE1 0.01 0.09 -0.06 -0.04 7.75 7.75 1od0A1 ASP 368 H 0.01 0.29 0.05 -0.55 8.40 8.20 1od0A1 ASP 368 HA -0.06 0.21 0.70 -0.75 4.63 4.73 1od0A1 ASP 368 HB2 -0.02 -0.03 0.14 -0.04 2.71 2.76 1od0A1 ASP 368 HB3 0.01 0.07 -0.00 -0.04 2.70 2.73 1od0A1 GLN 369 H -0.05 0.50 -0.13 -0.55 8.47 8.24 1od0A1 GLN 369 HA -0.11 0.07 0.36 -0.75 4.36 3.93 1od0A1 GLN 369 HB2 -0.05 0.05 0.08 -0.04 2.15 2.18 1od0A1 GLN 369 HB3 -0.09 0.03 0.06 -0.04 2.02 1.97 1od0A1 GLN 369 HG2 -0.07 0.07 -0.01 -0.04 2.40 2.35 1od0A1 GLN 369 HG3 -0.10 0.00 -0.13 -0.04 2.39 2.12 1od0A1 GLN 369 HE21 -0.17 0.06 -0.02 -0.04 6.97 6.80 1od0A1 GLN 369 HE22 -0.12 -0.00 0.00 -0.04 7.69 7.53 1od0A1 ASN 370 H -0.25 0.11 -0.17 -0.55 8.53 7.67 1od0A1 ASN 370 HA -0.25 0.13 0.50 -0.75 4.76 4.39 1od0A1 ASN 370 HB2 -1.39 0.08 -0.00 -0.04 2.88 1.53 1od0A1 ASN 370 HB3 -0.48 0.07 0.08 -0.04 2.79 2.42 1od0A1 ASN 370 HD21 -0.33 -0.03 -0.02 -0.04 7.03 6.61 1od0A1 ASN 370 HD22 -0.62 0.09 0.02 -0.04 7.74 7.18 1od0A1 ARG 371 H -0.21 0.14 -0.25 -0.55 8.46 7.58 1od0A1 ARG 371 HA 0.30 0.09 0.49 -0.75 4.34 4.47 1od0A1 ARG 371 HB2 0.17 -0.06 0.08 -0.04 1.90 2.05 1od0A1 ARG 371 HB3 0.04 0.01 0.10 -0.04 1.80 1.91 1od0A1 ARG 371 HG2 0.13 -0.01 -0.05 -0.04 1.67 1.69 1od0A1 ARG 371 HG3 0.17 -0.02 0.06 -0.04 1.67 1.85 1od0A1 ARG 371 HD2 0.09 -0.12 0.02 -0.04 3.22 3.17 1od0A1 ARG 371 HD3 0.10 0.08 -0.05 -0.04 3.22 3.31 1od0A1 ILE 372 H -0.15 0.36 -0.07 -0.55 8.25 7.84 1od0A1 ILE 372 HA -0.62 0.06 0.46 -0.75 4.18 3.32 1od0A1 ILE 372 HB -0.31 0.08 0.17 -0.04 1.89 1.79 1od0A1 ILE 372 HG12 -0.31 0.06 -0.01 -0.04 1.49 1.19 1od0A1 ILE 372 HG13 -0.14 -0.05 -0.02 -0.04 1.21 0.96 1od0A1 ILE 372 HG23 -1.20 0.02 -0.12 -0.04 0.93 -0.42 1od0A1 ILE 372 HD13 -0.05 -0.03 -0.22 -0.04 0.88 0.54 1od0A1 ASP 373 H -0.16 0.54 -0.18 -0.55 8.40 8.05 1od0A1 ASP 373 HA -0.13 0.04 0.31 -0.75 4.63 4.08 1od0A1 ASP 373 HB2 -0.02 0.07 0.12 -0.04 2.71 2.84 1od0A1 ASP 373 HB3 -0.00 -0.01 -0.03 -0.04 2.70 2.62 1od0A1 TYR 374 H 0.21 0.45 -0.16 -0.55 8.29 8.24 1od0A1 TYR 374 HA 0.28 0.01 0.48 -0.75 4.56 4.57 1od0A1 TYR 374 HB2 0.34 0.02 0.10 -0.04 3.06 3.48 1od0A1 TYR 374 HB3 0.26 0.06 0.15 -0.04 2.98 3.41 1od0A1 TYR 374 HD2 0.26 0.02 -0.28 -0.04 7.15 7.11 1od0A1 TYR 374 HE2 0.02 -0.01 -0.03 -0.04 6.85 6.80 1od0A1 LEU 375 H 0.25 0.70 -0.10 -0.55 8.37 8.68 1od0A1 LEU 375 HA 0.51 -0.00 0.29 -0.75 4.35 4.39 1od0A1 LEU 375 HB2 0.01 0.05 0.15 -0.04 1.64 1.81 1od0A1 LEU 375 HB3 0.58 0.00 -0.01 -0.04 1.64 2.17 1od0A1 LEU 375 HG 0.28 0.11 0.08 -0.04 1.64 2.07 1od0A1 LEU 375 HD13 0.22 -0.02 -0.06 -0.04 0.93 1.03 1od0A1 LEU 375 HD23 0.39 -0.01 -0.06 -0.04 0.89 1.17 1od0A1 LYS 376 H -0.16 0.70 -0.05 -0.55 8.42 8.36 1od0A1 LYS 376 HA 0.57 0.02 0.34 -0.75 4.32 4.51 1od0A1 LYS 376 HB2 -0.28 0.12 0.12 -0.04 1.87 1.78 1od0A1 LYS 376 HB3 0.02 0.01 0.07 -0.04 1.79 1.86 1od0A1 LYS 376 HG2 0.25 -0.01 -0.05 -0.04 1.46 1.61 1od0A1 LYS 376 HG3 0.77 -0.01 0.02 -0.04 1.46 2.20 1od0A1 LYS 376 HD2 0.26 -0.01 -0.02 -0.04 1.69 1.87 1od0A1 LYS 376 HD3 0.05 -0.03 -0.04 -0.04 1.68 1.62 1od0A1 LYS 376 HE2 0.06 -0.01 -0.05 -0.04 2.99 2.95 1od0A1 LYS 376 HE3 0.06 0.00 -0.10 -0.04 2.99 2.91 1od0A1 ALA 377 H 0.09 0.59 -0.13 -0.55 8.40 8.39 1od0A1 ALA 377 HA 0.04 0.02 0.44 -0.75 4.34 4.09 1od0A1 ALA 377 HB3 -0.07 0.01 0.11 -0.04 1.41 1.42 1od0A1 HIS 378 H 0.28 0.48 -0.24 -0.55 8.41 8.38 1od0A1 HIS 378 HA 0.13 0.01 0.51 -0.75 4.63 4.53 1od0A1 HIS 378 HB2 0.27 0.13 0.12 -0.04 3.26 3.74 1od0A1 HIS 378 HB3 0.31 -0.04 0.00 -0.04 3.20 3.43 1od0A1 HIS 378 HD2 0.31 -0.05 -0.02 -0.04 6.97 7.17 1od0A1 HIS 378 HE1 -1.25 -0.06 -0.03 -0.04 7.75 6.36 1od0A1 ILE 379 H 0.32 0.72 0.04 -0.55 8.25 8.78 1od0A1 ILE 379 HA 0.13 0.02 0.42 -0.75 4.18 4.00 1od0A1 ILE 379 HB 0.29 0.08 0.08 -0.04 1.89 2.30 1od0A1 ILE 379 HG12 -0.69 -0.02 -0.04 -0.04 1.49 0.70 1od0A1 ILE 379 HG13 0.19 0.06 0.02 -0.04 1.21 1.45 1od0A1 ILE 379 HG23 0.20 0.01 -0.14 -0.04 0.93 0.96 1od0A1 ILE 379 HD13 0.36 -0.01 -0.12 -0.04 0.88 1.06 1od0A1 GLY 380 H 0.21 0.41 -0.39 -0.55 8.43 8.12 1od0A1 GLY 380 HA2 0.22 0.07 0.40 -0.51 4.01 4.20 1od0A1 GLY 380 HA3 0.14 0.08 0.26 -0.51 4.01 3.98 1od0A1 GLN 381 H 0.16 0.37 -0.15 -0.55 8.47 8.31 1od0A1 GLN 381 HA 0.13 0.04 0.46 -0.75 4.36 4.24 1od0A1 GLN 381 HB2 0.12 0.15 0.17 -0.04 2.15 2.55 1od0A1 GLN 381 HB3 0.15 -0.20 0.03 -0.04 2.02 1.97 1od0A1 GLN 381 HG2 0.02 0.23 0.04 -0.04 2.40 2.65 1od0A1 GLN 381 HG3 -0.02 -0.10 -0.44 -0.04 2.39 1.79 1od0A1 GLN 381 HE21 -0.07 0.02 -0.04 -0.04 6.97 6.84 1od0A1 GLN 381 HE22 0.00 0.05 -0.07 -0.04 7.69 7.63 1od0A1 ALA 382 H 0.27 0.53 -0.20 -0.55 8.40 8.46 1od0A1 ALA 382 HA 0.19 0.01 0.44 -0.75 4.34 4.22 1od0A1 ALA 382 HB3 0.35 0.03 0.01 -0.04 1.41 1.76 1od0A1 TRP 383 H 0.42 0.53 -0.20 -0.55 7.97 8.18 1od0A1 TRP 383 HA -0.68 0.06 0.49 -0.75 4.62 3.74 1od0A1 TRP 383 HB2 -0.07 0.06 0.12 -0.04 3.23 3.30 1od0A1 TRP 383 HB3 -0.05 0.19 0.17 -0.04 3.23 3.51 1od0A1 TRP 383 HD1 -1.47 0.01 -0.23 -0.04 7.22 5.50 1od0A1 TRP 383 HE1 -0.23 0.42 -0.05 -0.04 10.20 10.30 1od0A1 TRP 383 HE3 -0.06 0.03 -0.10 -0.04 7.59 7.42 1od0A1 TRP 383 HZ2 -0.08 0.01 0.05 -0.04 7.44 7.39 1od0A1 TRP 383 HZ3 -0.04 -0.06 -0.03 -0.04 7.13 6.96 1od0A1 TRP 383 HH2 -0.04 -0.02 0.02 -0.04 7.19 7.10 1od0A1 LYS 384 H 0.25 0.41 -0.24 -0.55 8.42 8.29 1od0A1 LYS 384 HA -0.22 0.02 0.36 -0.75 4.32 3.74 1od0A1 LYS 384 HB2 0.15 0.04 0.13 -0.04 1.87 2.15 1od0A1 LYS 384 HB3 0.17 0.16 0.18 -0.04 1.79 2.26 1od0A1 LYS 384 HG2 0.06 -0.00 -0.18 -0.04 1.46 1.30 1od0A1 LYS 384 HG3 -0.03 -0.00 0.02 -0.04 1.46 1.41 1od0A1 LYS 384 HD2 -0.11 -0.01 -0.01 -0.04 1.69 1.53 1od0A1 LYS 384 HD3 -0.29 -0.04 0.01 -0.04 1.68 1.31 1od0A1 LYS 384 HE2 -1.62 -0.03 -0.04 -0.04 2.99 1.26 1od0A1 LYS 384 HE3 -0.31 0.03 -0.05 -0.04 2.99 2.62 1od0A1 ALA 385 H 0.13 0.41 -0.14 -0.55 8.40 8.26 1od0A1 ALA 385 HA -0.02 -0.00 0.38 -0.75 4.34 3.94 1od0A1 ALA 385 HB3 -0.05 0.02 0.10 -0.04 1.41 1.44 1od0A1 ILE 386 H -0.19 0.46 -0.27 -0.55 8.25 7.70 1od0A1 ILE 386 HA -0.18 0.17 0.55 -0.75 4.18 3.98 1od0A1 ILE 386 HB -0.59 0.20 0.23 -0.04 1.89 1.70 1od0A1 ILE 386 HG12 -0.09 -0.03 0.12 -0.04 1.49 1.45 1od0A1 ILE 386 HG13 -0.15 0.17 0.09 -0.04 1.21 1.29 1od0A1 ILE 386 HG23 -0.32 -0.01 -0.07 -0.04 0.93 0.49 1od0A1 ILE 386 HD13 -0.25 -0.02 0.03 -0.04 0.88 0.60 1od0A1 GLN 387 H -0.58 0.46 -0.07 -0.55 8.47 7.74 1od0A1 GLN 387 HA -0.39 0.03 0.46 -0.75 4.36 3.71 1od0A1 GLN 387 HB2 -0.47 0.05 0.11 -0.04 2.15 1.80 1od0A1 GLN 387 HB3 -0.42 -0.08 0.11 -0.04 2.02 1.59 1od0A1 GLN 387 HG2 -1.83 0.15 -0.02 -0.04 2.40 0.66 1od0A1 GLN 387 HG3 -1.61 -0.08 0.01 -0.04 2.39 0.67 1od0A1 GLN 387 HE21 -0.33 0.01 -0.01 -0.04 6.97 6.60 1od0A1 GLN 387 HE22 -0.40 -0.05 0.05 -0.04 7.69 7.25 1od0A1 GLU 388 H -0.17 0.33 -0.47 -0.55 8.60 7.74 1od0A1 GLU 388 HA -0.10 0.15 0.84 -0.75 4.29 4.42 1od0A1 GLU 388 HB2 -0.04 0.00 0.11 -0.04 2.09 2.13 1od0A1 GLU 388 HB3 -0.04 -0.07 0.18 -0.04 1.99 2.01 1od0A1 GLU 388 HG2 -0.05 -0.01 -0.13 -0.04 2.34 2.11 1od0A1 GLU 388 HG3 -0.05 0.25 -0.03 -0.04 2.34 2.47 1od0A1 GLY 389 H -0.14 0.47 -0.42 -0.55 8.43 7.79 1od0A1 GLY 389 HA2 -0.09 0.00 0.24 -0.51 4.01 3.65 1od0A1 GLY 389 HA3 -0.09 0.06 0.47 -0.51 4.01 3.95 1od0A1 VAL 390 H -0.12 0.48 -0.07 -0.55 8.24 7.98 1od0A1 VAL 390 HA -0.09 0.12 0.41 -0.75 4.13 3.82 1od0A1 VAL 390 HB -0.09 -0.07 -0.22 -0.04 2.12 1.69 1od0A1 VAL 390 HG13 -0.06 -0.05 -0.21 -0.04 0.97 0.61 1od0A1 VAL 390 HG23 -0.16 0.00 -0.17 -0.04 0.95 0.58 1od0A1 PRO 391 HA -0.04 0.14 0.48 -0.51 4.44 4.51 1od0A1 PRO 391 HB2 -0.02 0.01 0.30 -0.04 2.28 2.52 1od0A1 PRO 391 HB3 -0.03 0.04 0.16 -0.04 2.02 2.16 1od0A1 PRO 391 HG2 -0.02 -0.09 -0.12 -0.04 2.03 1.75 1od0A1 PRO 391 HG3 -0.03 0.16 0.04 -0.04 2.03 2.16 1od0A1 PRO 391 HD2 -0.06 -0.03 0.12 -0.04 3.68 3.66 1od0A1 PRO 391 HD3 -0.06 0.29 0.27 -0.04 3.65 4.11 1od0A1 LEU 392 H -0.02 0.52 -0.29 -0.55 8.37 8.03 1od0A1 LEU 392 HA -0.05 0.16 0.68 -0.75 4.35 4.39 1od0A1 LEU 392 HB2 0.06 -0.05 -0.01 -0.04 1.64 1.60 1od0A1 LEU 392 HB3 0.13 0.06 0.13 -0.04 1.64 1.92 1od0A1 LEU 392 HG 0.38 -0.03 -0.16 -0.04 1.64 1.79 1od0A1 LEU 392 HD13 0.11 0.02 -0.09 -0.04 0.93 0.92 1od0A1 LEU 392 HD23 0.30 -0.01 -0.07 -0.04 0.89 1.06 1od0A1 LYS 393 H -0.42 0.60 0.42 -0.55 8.42 8.47 1od0A1 LYS 393 HA -0.06 0.22 0.83 -0.75 4.32 4.56 1od0A1 LYS 393 HB2 -0.98 -0.06 0.01 -0.04 1.87 0.80 1od0A1 LYS 393 HB3 -0.20 -0.00 0.11 -0.04 1.79 1.66 1od0A1 LYS 393 HG2 -0.23 0.17 0.05 -0.04 1.46 1.41 1od0A1 LYS 393 HG3 -0.18 -0.04 0.01 -0.04 1.46 1.21 1od0A1 GLY 394 H -0.35 0.17 0.09 -0.55 8.43 7.80 1od0A1 GLY 394 HA2 -1.44 0.20 0.63 -0.51 4.01 2.88 1od0A1 GLY 394 HA3 -0.20 0.01 0.27 -0.51 4.01 3.58 1od0A1 TYR 395 H -0.49 0.72 0.26 -0.55 8.29 8.23 1od0A1 TYR 395 HA 0.13 0.14 0.82 -0.75 4.56 4.89 1od0A1 TYR 395 HB2 0.19 0.05 -0.20 -0.04 3.06 3.06 1od0A1 TYR 395 HB3 -0.10 0.04 -0.01 -0.04 2.98 2.88 1od0A1 TYR 395 HD2 0.44 -0.00 -0.14 -0.04 7.15 7.41 1od0A1 TYR 395 HE2 0.33 -0.04 -0.16 -0.04 6.85 6.93 1od0A1 PHE 396 H -0.04 0.46 0.04 -0.55 8.34 8.25 1od0A1 PHE 396 HA 0.05 0.21 0.75 -0.75 4.62 4.88 1od0A1 PHE 396 HB2 -0.07 -0.02 -0.24 -0.04 3.15 2.78 1od0A1 PHE 396 HB3 0.01 -0.04 -0.42 -0.04 3.06 2.56 1od0A1 PHE 396 HD2 -0.09 0.11 -0.32 -0.04 7.28 6.94 1od0A1 PHE 396 HE2 -0.51 -0.02 -0.39 -0.04 7.38 6.42 1od0A1 PHE 396 HZ -1.41 0.07 -0.27 -0.04 7.32 5.67 1od0A1 VAL 397 H 0.08 0.62 0.18 -0.55 8.24 8.58 1od0A1 VAL 397 HA -0.01 0.25 0.78 -0.75 4.13 4.39 1od0A1 VAL 397 HB -0.16 -0.04 0.13 -0.04 2.12 2.01 1od0A1 VAL 397 HG13 0.02 -0.02 -0.22 -0.04 0.97 0.71 1od0A1 VAL 397 HG23 -0.33 0.02 -0.02 -0.04 0.95 0.58 1od0A1 TRP 398 H 0.26 0.28 0.16 -0.55 7.97 8.13 1od0A1 TRP 398 HA 0.06 0.13 0.85 -0.75 4.62 4.91 1od0A1 TRP 398 HB2 0.07 -0.01 0.01 -0.04 3.23 3.27 1od0A1 TRP 398 HB3 0.15 -0.05 -0.05 -0.04 3.23 3.24 1od0A1 TRP 398 HD1 -0.44 -0.03 -0.35 -0.04 7.22 6.36 1od0A1 TRP 398 HE1 -0.43 -0.03 -0.18 -0.04 10.20 9.51 1od0A1 TRP 398 HE3 0.03 0.07 -0.17 -0.04 7.59 7.47 1od0A1 TRP 398 HZ2 -0.21 -0.01 -0.13 -0.04 7.44 7.05 1od0A1 TRP 398 HZ3 -0.07 0.13 -0.46 -0.04 7.13 6.69 1od0A1 TRP 398 HH2 -0.26 -0.14 -0.24 -0.04 7.19 6.51 1od0A1 SER 399 H -0.08 0.41 -0.06 -0.55 8.46 8.18 1od0A1 SER 399 HA -0.52 0.27 0.46 -0.75 4.49 3.95 1od0A1 SER 399 HB2 -2.44 -0.06 -0.06 -0.04 3.95 1.35 1od0A1 SER 399 HB3 -0.59 0.03 -0.22 -0.04 3.93 3.11 1od0A1 LEU 400 H -0.23 0.33 0.13 -0.55 8.37 8.05 1od0A1 LEU 400 HA -0.06 0.09 0.57 -0.75 4.35 4.19 1od0A1 LEU 400 HB2 -0.03 0.04 0.05 -0.04 1.64 1.66 1od0A1 LEU 400 HB3 -0.10 -0.04 0.03 -0.04 1.64 1.49 1od0A1 LEU 400 HG -0.08 -0.04 -0.27 -0.04 1.64 1.21 1od0A1 LEU 400 HD13 -0.05 0.01 -0.02 -0.04 0.93 0.83 1od0A1 LEU 400 HD23 -0.16 0.03 -0.10 -0.04 0.89 0.62 1od0A1 LEU 401 H -0.24 0.15 -0.13 -0.55 8.37 7.60 1od0A1 LEU 401 HA -0.10 0.25 0.90 -0.75 4.35 4.65 1od0A1 LEU 401 HB2 -0.12 -0.07 -0.08 -0.04 1.64 1.34 1od0A1 LEU 401 HB3 -0.09 0.16 -0.01 -0.04 1.64 1.66 1od0A1 LEU 401 HG -0.09 -0.12 -0.26 -0.04 1.64 1.14 1od0A1 LEU 401 HD13 -0.01 0.00 -0.08 -0.04 0.93 0.80 1od0A1 LEU 401 HD23 -0.06 0.04 -0.15 -0.04 0.89 0.68 1od0A1 ASP 402 H -0.11 0.47 0.28 -0.55 8.40 8.49 1od0A1 ASP 402 HA -0.00 -0.19 0.76 -0.75 4.63 4.44 1od0A1 ASP 402 HB2 -0.26 -0.01 0.19 -0.04 2.71 2.59 1od0A1 ASP 402 HB3 -0.02 0.13 0.13 -0.04 2.70 2.90 1od0A1 ASN 403 H 0.11 0.21 0.22 -0.55 8.53 8.53 1od0A1 ASN 403 HA 0.27 0.13 0.61 -0.75 4.76 5.02 1od0A1 ASN 403 HB2 -0.02 0.25 0.06 -0.04 2.88 3.12 1od0A1 ASN 403 HB3 -0.04 0.07 -0.39 -0.04 2.79 2.38 1od0A1 ASN 403 HD21 -0.34 -0.05 -0.11 -0.04 7.03 6.50 1od0A1 ASN 403 HD22 -0.32 0.11 -0.13 -0.04 7.74 7.35 1od0A1 PHE 404 H 0.06 0.61 0.26 -0.55 8.34 8.72 1od0A1 PHE 404 HA -0.86 0.05 0.32 -0.75 4.62 3.38 1od0A1 PHE 404 HB2 -0.47 0.01 0.06 -0.04 3.15 2.71 1od0A1 PHE 404 HB3 -0.47 -0.02 0.24 -0.04 3.06 2.76 1od0A1 PHE 404 HD2 -0.93 -0.03 -0.17 -0.04 7.28 6.11 1od0A1 PHE 404 HE2 -0.12 0.03 -0.35 -0.04 7.38 6.90 1od0A1 PHE 404 HZ 0.44 0.12 -0.14 -0.04 7.32 7.69 1od0A1 GLU 405 H -0.56 0.68 0.08 -0.55 8.60 8.26 1od0A1 GLU 405 HA -0.42 0.09 0.53 -0.75 4.29 3.74 1od0A1 GLU 405 HB2 0.05 0.08 0.03 -0.04 2.09 2.21 1od0A1 GLU 405 HB3 -0.12 0.12 0.14 -0.04 1.99 2.09 1od0A1 GLU 405 HG2 0.19 -0.01 -0.03 -0.04 2.34 2.45 1od0A1 GLU 405 HG3 0.08 -0.10 0.08 -0.04 2.34 2.35 1od0A1 TRP 406 H -1.22 0.34 -0.43 -0.55 7.97 6.11 1od0A1 TRP 406 HA -0.52 0.03 0.22 -0.75 4.62 3.60 1od0A1 TRP 406 HB2 0.04 0.08 -0.12 -0.04 3.23 3.18 1od0A1 TRP 406 HB3 -0.20 0.05 0.10 -0.04 3.23 3.15 1od0A1 TRP 406 HD1 -0.01 0.03 -0.17 -0.04 7.22 7.03 1od0A1 TRP 406 HE1 -0.56 0.00 -0.09 -0.04 10.20 9.51 1od0A1 TRP 406 HE3 -2.52 0.03 -0.03 -0.04 7.59 5.03 1od0A1 TRP 406 HZ2 -0.65 -0.02 -0.05 -0.04 7.44 6.68 1od0A1 TRP 406 HZ3 -1.40 -0.07 -0.08 -0.04 7.13 5.54 1od0A1 TRP 406 HH2 -0.23 -0.05 -0.00 -0.04 7.19 6.87 1od0A1 ALA 407 H 0.56 0.16 0.20 -0.55 8.40 8.77 1od0A1 ALA 407 HA 0.40 0.10 0.45 -0.75 4.34 4.54 1od0A1 ALA 407 HB3 0.45 0.08 0.23 -0.04 1.41 2.13 1od0A1 GLU 408 H 0.04 0.43 -0.25 -0.55 8.60 8.27 1od0A1 GLU 408 HA -0.00 0.10 0.71 -0.75 4.29 4.35 1od0A1 GLU 408 HB2 -0.05 0.24 0.08 -0.04 2.09 2.33 1od0A1 GLU 408 HB3 -0.06 -0.10 0.02 -0.04 1.99 1.80 1od0A1 GLU 408 HG2 0.10 -0.05 -0.02 -0.04 2.34 2.33 1od0A1 GLU 408 HG3 0.00 -0.04 -0.01 -0.04 2.34 2.25 1od0A1 GLY 409 H -0.45 0.49 -0.49 -0.55 8.43 7.44 1od0A1 GLY 409 HA2 -0.91 0.05 0.16 -0.51 4.01 2.80 1od0A1 GLY 409 HA3 -0.24 0.12 0.38 -0.51 4.01 3.76 1od0A1 TYR 410 H -0.12 0.19 0.14 -0.55 8.29 7.95 1od0A1 TYR 410 HA -0.12 0.21 0.49 -0.75 4.56 4.38 1od0A1 TYR 410 HB2 -0.20 0.04 0.07 -0.04 3.06 2.92 1od0A1 TYR 410 HB3 -0.35 0.02 0.08 -0.04 2.98 2.69 1od0A1 TYR 410 HD2 -0.21 0.06 -0.12 -0.04 7.15 6.84 1od0A1 TYR 410 HE2 -0.04 -0.00 0.01 -0.04 6.85 6.78 1od0A1 SER 411 H -0.05 0.30 -0.36 -0.55 8.46 7.80 1od0A1 SER 411 HA 0.03 0.05 0.27 -0.75 4.49 4.08 1od0A1 SER 411 HB2 -0.01 -0.03 0.10 -0.04 3.95 3.97 1od0A1 SER 411 HB3 -0.01 -0.03 0.07 -0.04 3.93 3.93 1od0A1 LYS 412 H -0.05 0.23 -0.48 -0.55 8.42 7.57 1od0A1 LYS 412 HA -0.12 0.15 0.93 -0.75 4.32 4.52 1od0A1 LYS 412 HB2 0.00 0.01 0.05 -0.04 1.87 1.89 1od0A1 LYS 412 HB3 -0.18 -0.07 -0.11 -0.04 1.79 1.38 1od0A1 LYS 412 HG2 -0.09 0.01 -0.23 -0.04 1.46 1.12 1od0A1 LYS 412 HG3 -0.14 -0.01 -0.10 -0.04 1.46 1.16 1od0A1 LYS 412 HD2 -0.24 -0.14 -0.14 -0.04 1.69 1.12 1od0A1 LYS 412 HD3 -0.12 0.27 -0.34 -0.04 1.68 1.45 1od0A1 LYS 412 HE2 -0.19 -0.06 -0.11 -0.04 2.99 2.59 1od0A1 LYS 412 HE3 -0.20 0.31 -0.25 -0.04 2.99 2.81 1od0A1 ARG 413 H -0.12 0.22 0.10 -0.55 8.46 8.12 1od0A1 ARG 413 HA 0.03 0.07 0.91 -0.75 4.34 4.60 1od0A1 ARG 413 HB2 -0.03 0.08 0.32 -0.04 1.90 2.24 1od0A1 ARG 413 HB3 -0.04 -0.08 0.14 -0.04 1.80 1.78 1od0A1 ARG 413 HG2 -0.00 0.04 0.01 -0.04 1.67 1.68 1od0A1 ARG 413 HG3 0.01 0.06 -0.06 -0.04 1.67 1.65 1od0A1 ARG 413 HD2 0.07 0.00 0.12 -0.04 3.22 3.37 1od0A1 ARG 413 HD3 -0.10 -0.10 0.07 -0.04 3.22 3.04 1od0A1 PHE 414 H 0.19 0.13 0.21 -0.55 8.34 8.33 1od0A1 PHE 414 HA 0.02 0.34 0.84 -0.75 4.62 5.06 1od0A1 PHE 414 HB2 0.11 -0.01 -0.08 -0.04 3.15 3.13 1od0A1 PHE 414 HB3 0.16 0.06 -0.24 -0.04 3.06 2.99 1od0A1 PHE 414 HD2 0.21 0.08 -0.25 -0.04 7.28 7.28 1od0A1 PHE 414 HE2 0.05 0.06 -0.22 -0.04 7.38 7.23 1od0A1 PHE 414 HZ -0.49 0.00 -0.11 -0.04 7.32 6.68 1od0A1 GLY 415 H 0.02 -0.10 -0.09 -0.55 8.43 7.72 1od0A1 GLY 415 HA2 -0.08 0.20 -0.12 -0.51 4.01 3.51 1od0A1 GLY 415 HA3 -0.05 -0.00 -0.04 -0.51 4.01 3.41 1od0A1 ILE 416 H -0.04 0.59 0.18 -0.55 8.25 8.43 1od0A1 ILE 416 HA 0.03 0.03 0.78 -0.75 4.18 4.27 1od0A1 ILE 416 HB 0.05 -0.16 0.04 -0.04 1.89 1.78 1od0A1 ILE 416 HG12 -0.02 0.18 0.15 -0.04 1.49 1.76 1od0A1 ILE 416 HG13 -0.01 0.00 -0.11 -0.04 1.21 1.06 1od0A1 ILE 416 HG23 0.04 0.03 -0.09 -0.04 0.93 0.86 1od0A1 ILE 416 HD13 0.05 0.01 -0.02 -0.04 0.88 0.88 1od0A1 VAL 417 H -0.05 0.29 0.13 -0.55 8.24 8.06 1od0A1 VAL 417 HA -0.05 0.03 0.85 -0.75 4.13 4.21 1od0A1 VAL 417 HB -0.07 0.06 0.15 -0.04 2.12 2.23 1od0A1 VAL 417 HG13 -0.05 0.02 -0.25 -0.04 0.97 0.64 1od0A1 VAL 417 HG23 -0.07 0.01 -0.06 -0.04 0.95 0.79 1od0A1 TYR 418 H 0.07 0.72 0.18 -0.55 8.29 8.71 1od0A1 TYR 418 HA -0.09 -0.01 0.63 -0.75 4.56 4.34 1od0A1 TYR 418 HB2 -0.07 -0.05 0.02 -0.04 3.06 2.92 1od0A1 TYR 418 HB3 -0.09 0.05 0.09 -0.04 2.98 3.00 1od0A1 TYR 418 HD2 -0.08 -0.04 -0.31 -0.04 7.15 6.68 1od0A1 TYR 418 HE2 -0.06 0.03 -0.20 -0.04 6.85 6.58 1od0A1 VAL 419 H -0.75 0.13 0.18 -0.55 8.24 7.25 1od0A1 VAL 419 HA -0.23 0.44 1.09 -0.75 4.13 4.67 1od0A1 VAL 419 HB -0.74 -0.06 0.06 -0.04 2.12 1.34 1od0A1 VAL 419 HG13 -0.43 0.01 -0.32 -0.04 0.97 0.19 1od0A1 VAL 419 HG23 -0.18 0.01 -0.14 -0.04 0.95 0.60 1od0A1 ASP 420 H -0.10 0.73 0.09 -0.55 8.40 8.57 1od0A1 ASP 420 HA -0.07 0.10 0.80 -0.75 4.63 4.70 1od0A1 ASP 420 HB2 0.14 0.08 0.04 -0.04 2.71 2.94 1od0A1 ASP 420 HB3 0.00 -0.09 0.20 -0.04 2.70 2.78 1od0A1 TYR 421 H -0.14 0.25 0.11 -0.55 8.29 7.96 1od0A1 TYR 421 HA -0.11 0.14 0.20 -0.75 4.56 4.04 1od0A1 TYR 421 HB2 -0.13 -0.03 0.09 -0.04 3.06 2.95 1od0A1 TYR 421 HB3 -0.20 0.04 0.00 -0.04 2.98 2.78 1od0A1 TYR 421 HD2 -0.17 0.06 -0.01 -0.04 7.15 6.99 1od0A1 TYR 421 HE2 -0.06 0.03 -0.15 -0.04 6.85 6.63 1od0A1 SER 422 H 0.05 0.03 -0.15 -0.55 8.46 7.84 1od0A1 SER 422 HA 0.02 0.12 0.44 -0.75 4.49 4.32 1od0A1 SER 422 HB2 0.01 0.06 0.06 -0.04 3.95 4.04 1od0A1 SER 422 HB3 0.03 -0.03 0.08 -0.04 3.93 3.96 1od0A1 THR 423 H -0.00 0.06 -0.30 -0.55 8.28 7.48 1od0A1 THR 423 HA -0.00 0.28 0.96 -0.75 4.39 4.87 1od0A1 THR 423 HB -0.01 0.06 0.06 -0.04 4.32 4.38 1od0A1 THR 423 HG23 -0.00 -0.00 -0.12 -0.04 1.22 1.06 1od0A1 GLN 424 H -0.03 0.39 0.08 -0.55 8.47 8.36 1od0A1 GLN 424 HA -0.06 0.00 0.20 -0.75 4.36 3.74 1od0A1 GLN 424 HB2 -0.02 0.22 0.24 -0.04 2.15 2.55 1od0A1 GLN 424 HB3 -0.02 -0.02 0.15 -0.04 2.02 2.10 1od0A1 GLN 424 HG2 0.00 0.02 -0.32 -0.04 2.40 2.07 1od0A1 GLN 424 HG3 0.01 -0.04 -0.14 -0.04 2.39 2.18 1od0A1 GLN 424 HE21 0.08 0.30 -0.09 -0.04 6.97 7.22 1od0A1 GLN 424 HE22 0.03 -0.03 -0.14 -0.04 7.69 7.50 1od0A1 LYS 425 H -0.03 -0.04 -0.22 -0.55 8.42 7.57 1od0A1 LYS 425 HA -0.03 0.12 0.51 -0.75 4.32 4.16 1od0A1 LYS 425 HB2 -0.02 0.02 0.02 -0.04 1.87 1.85 1od0A1 LYS 425 HB3 -0.00 -0.14 0.03 -0.04 1.79 1.64 1od0A1 LYS 425 HG2 -0.01 0.09 -0.26 -0.04 1.46 1.24 1od0A1 LYS 425 HG3 -0.02 0.04 0.03 -0.04 1.46 1.46 1od0A1 LYS 425 HD2 -0.02 0.00 -0.03 -0.04 1.69 1.61 1od0A1 LYS 425 HD3 -0.01 -0.08 -0.07 -0.04 1.68 1.48 1od0A1 LYS 425 HE2 -0.02 -0.01 -0.06 -0.04 2.99 2.86 1od0A1 LYS 425 HE3 -0.02 0.06 -0.01 -0.04 2.99 2.98 1od0A1 ARG 426 H -0.03 0.17 0.18 -0.55 8.46 8.23 1od0A1 ARG 426 HA -0.03 0.33 0.92 -0.75 4.34 4.80 1od0A1 ARG 426 HB2 -0.04 -0.00 0.12 -0.04 1.90 1.93 1od0A1 ARG 426 HB3 -0.04 -0.04 -0.08 -0.04 1.80 1.59 1od0A1 ARG 426 HG2 -0.05 -0.02 -0.08 -0.04 1.67 1.48 1od0A1 ARG 426 HG3 -0.06 0.01 -0.09 -0.04 1.67 1.48 1od0A1 ARG 426 HD2 -0.06 0.10 -0.33 -0.04 3.22 2.89 1od0A1 ARG 426 HD3 -0.05 -0.02 0.00 -0.04 3.22 3.11 1od0A1 ILE 427 H 0.03 0.57 0.15 -0.55 8.25 8.46 1od0A1 ILE 427 HA -0.02 0.20 0.87 -0.75 4.18 4.47 1od0A1 ILE 427 HB 0.02 -0.14 0.05 -0.04 1.89 1.78 1od0A1 ILE 427 HG12 -0.03 0.12 -0.10 -0.04 1.49 1.44 1od0A1 ILE 427 HG13 0.02 -0.07 -0.65 -0.04 1.21 0.47 1od0A1 ILE 427 HG23 -0.08 0.02 -0.12 -0.04 0.93 0.71 1od0A1 ILE 427 HD13 -0.10 -0.01 -0.14 -0.04 0.88 0.59 1od0A1 VAL 428 H -0.06 0.22 0.08 -0.55 8.24 7.93 1od0A1 VAL 428 HA -0.15 0.02 0.62 -0.75 4.13 3.86 1od0A1 VAL 428 HB -0.48 -0.00 0.12 -0.04 2.12 1.72 1od0A1 VAL 428 HG13 -0.65 0.07 -0.03 -0.04 0.97 0.32 1od0A1 VAL 428 HG23 -0.10 0.02 0.04 -0.04 0.95 0.87 1od0A1 LYS 429 H -0.12 0.55 0.45 -0.55 8.42 8.75 1od0A1 LYS 429 HA -0.07 0.08 0.76 -0.75 4.32 4.34 1od0A1 LYS 429 HB2 -0.00 -0.02 0.15 -0.04 1.87 1.95 1od0A1 LYS 429 HB3 -0.00 -0.12 0.24 -0.04 1.79 1.86 1od0A1 LYS 429 HG2 0.03 0.02 -0.03 -0.04 1.46 1.43 1od0A1 LYS 429 HG3 0.01 -0.00 -0.30 -0.04 1.46 1.13 1od0A1 LYS 429 HD2 0.05 0.13 -0.10 -0.04 1.69 1.73 1od0A1 LYS 429 HD3 0.08 -0.10 -0.07 -0.04 1.68 1.55 1od0A1 LYS 429 HE2 0.20 -0.09 -0.21 -0.04 2.99 2.85 1od0A1 LYS 429 HE3 0.03 -0.08 -0.90 -0.04 2.99 2.00 1od0A1 ASP 430 H 0.01 0.51 0.40 -0.55 8.40 8.77 1od0A1 ASP 430 HA 0.28 0.15 0.47 -0.75 4.63 4.78 1od0A1 ASP 430 HB2 0.07 -0.22 0.21 -0.04 2.71 2.73 1od0A1 ASP 430 HB3 0.13 0.06 0.01 -0.04 2.70 2.87 1od0A1 SER 431 H 0.06 0.03 -0.11 -0.55 8.46 7.90 1od0A1 SER 431 HA 0.19 0.08 0.42 -0.75 4.49 4.42 1od0A1 SER 431 HB2 0.13 0.11 -0.03 -0.04 3.95 4.12 1od0A1 SER 431 HB3 0.04 -0.05 0.07 -0.04 3.93 3.94 1od0A1 GLY 432 H 0.02 0.11 -0.20 -0.55 8.43 7.81 1od0A1 GLY 432 HA2 0.13 0.06 0.49 -0.51 4.01 4.18 1od0A1 GLY 432 HA3 -0.07 0.14 0.34 -0.51 4.01 3.90 1od0A1 TYR 433 H 0.00 0.36 -0.12 -0.55 8.29 7.98 1od0A1 TYR 433 HA 0.05 0.13 0.51 -0.75 4.56 4.49 1od0A1 TYR 433 HB2 0.10 0.01 0.19 -0.04 3.06 3.32 1od0A1 TYR 433 HB3 0.06 0.01 0.03 -0.04 2.98 3.04 1od0A1 TYR 433 HD2 0.03 -0.03 -0.04 -0.04 7.15 7.07 1od0A1 TYR 433 HE2 -0.00 0.01 -0.04 -0.04 6.85 6.78 1od0A1 TRP 434 H 0.42 0.52 -0.08 -0.55 7.97 8.27 1od0A1 TRP 434 HA 0.05 0.03 0.39 -0.75 4.62 4.34 1od0A1 TRP 434 HB2 0.08 -0.03 0.11 -0.04 3.23 3.35 1od0A1 TRP 434 HB3 0.10 0.07 0.21 -0.04 3.23 3.56 1od0A1 TRP 434 HD1 0.02 -0.01 0.02 -0.04 7.22 7.22 1od0A1 TRP 434 HE1 0.01 -0.00 -0.01 -0.04 10.20 10.15 1od0A1 TRP 434 HE3 0.17 0.13 -0.05 -0.04 7.59 7.80 1od0A1 TRP 434 HZ2 0.03 -0.00 -0.01 -0.04 7.44 7.42 1od0A1 TRP 434 HZ3 0.22 0.00 -0.08 -0.04 7.13 7.23 1od0A1 TRP 434 HH2 0.12 0.02 -0.24 -0.04 7.19 7.04 1od0A1 TYR 435 H 0.42 0.47 -0.16 -0.55 8.29 8.46 1od0A1 TYR 435 HA -0.57 0.01 0.42 -0.75 4.56 3.66 1od0A1 TYR 435 HB2 0.33 -0.01 0.12 -0.04 3.06 3.45 1od0A1 TYR 435 HB3 0.08 0.08 0.12 -0.04 2.98 3.22 1od0A1 TYR 435 HD2 0.01 -0.02 -0.04 -0.04 7.15 7.06 1od0A1 TYR 435 HE2 0.25 0.01 -0.11 -0.04 6.85 6.96 1od0A1 SER 436 H 0.03 0.38 -0.25 -0.55 8.46 8.08 1od0A1 SER 436 HA -0.23 0.15 0.52 -0.75 4.49 4.18 1od0A1 SER 436 HB2 0.02 0.02 0.26 -0.04 3.95 4.21 1od0A1 SER 436 HB3 0.02 0.14 0.21 -0.04 3.93 4.26 1od0A1 ASN 437 H -0.22 0.30 -0.28 -0.55 8.53 7.78 1od0A1 ASN 437 HA -0.21 0.05 0.50 -0.75 4.76 4.35 1od0A1 ASN 437 HB2 -0.14 0.01 0.12 -0.04 2.88 2.83 1od0A1 ASN 437 HB3 -0.37 0.10 0.13 -0.04 2.79 2.61 1od0A1 ASN 437 HD21 -0.10 -0.03 -0.03 -0.04 7.03 6.83 1od0A1 ASN 437 HD22 -0.14 -0.04 -0.02 -0.04 7.74 7.50 1od0A1 VAL 438 H -0.73 0.37 -0.07 -0.55 8.24 7.26 1od0A1 VAL 438 HA -0.63 0.20 0.47 -0.75 4.13 3.41 1od0A1 VAL 438 HB -1.05 0.11 0.17 -0.04 2.12 1.30 1od0A1 VAL 438 HG13 -1.15 0.00 -0.22 -0.04 0.97 -0.45 1od0A1 VAL 438 HG23 -1.44 0.03 0.03 -0.04 0.95 -0.47 1od0A1 VAL 439 H -0.82 0.48 -0.19 -0.55 8.24 7.16 1od0A1 VAL 439 HA -1.47 -0.01 0.35 -0.75 4.13 2.25 1od0A1 VAL 439 HB -0.44 0.15 0.12 -0.04 2.12 1.90 1od0A1 VAL 439 HG13 -0.08 0.01 -0.03 -0.04 0.97 0.83 1od0A1 VAL 439 HG23 -0.86 0.00 0.01 -0.04 0.95 0.06 1od0A1 LYS 440 H -0.32 0.52 -0.00 -0.55 8.42 8.06 1od0A1 LYS 440 HA -0.12 0.05 0.50 -0.75 4.32 3.99 1od0A1 LYS 440 HB2 -0.13 0.08 0.18 -0.04 1.87 1.95 1od0A1 LYS 440 HB3 -0.17 0.01 0.20 -0.04 1.79 1.79 1od0A1 ASN 441 H -0.27 0.59 -0.18 -0.55 8.53 8.13 1od0A1 ASN 441 HA -0.09 0.03 0.53 -0.75 4.76 4.48 1od0A1 ASN 441 HB2 -0.24 0.17 0.06 -0.04 2.88 2.83 1od0A1 ASN 441 HB3 -0.12 -0.07 -0.01 -0.04 2.79 2.55 1od0A1 ASN 441 HD21 -0.12 -0.12 -0.05 -0.04 7.03 6.71 1od0A1 ASN 441 HD22 -0.17 -0.02 -0.11 -0.04 7.74 7.40 1od0A1 ASN 442 H -0.22 0.38 -0.64 -0.55 8.53 7.50 1od0A1 ASN 442 HA 0.11 0.03 0.37 -0.75 4.76 4.51 1od0A1 ASN 442 HB2 0.15 0.05 -0.02 -0.04 2.88 3.02 1od0A1 ASN 442 HB3 0.15 0.04 0.10 -0.04 2.79 3.04 1od0A1 ASN 442 HD21 0.27 0.24 -0.26 -0.04 7.03 7.23 1od0A1 ASN 442 HD22 0.20 -0.04 0.01 -0.04 7.74 7.88 1od0A1 GLY 443 H -0.34 0.49 -0.08 -0.55 8.43 7.96 1od0A1 GLY 443 HA2 0.07 -0.09 0.23 -0.51 4.01 3.71 1od0A1 GLY 443 HA3 0.18 0.25 0.82 -0.51 4.01 4.74 1od0A1 LEU 444 H -0.01 0.42 0.24 -0.55 8.37 8.48 1od0A1 LEU 444 HA -0.16 0.07 0.70 -0.75 4.35 4.21 1od0A1 LEU 444 HB2 -0.12 0.03 0.07 -0.04 1.64 1.57 1od0A1 LEU 444 HB3 -0.01 -0.05 0.05 -0.04 1.64 1.59 1od0A1 LEU 444 HG 0.10 0.05 -0.05 -0.04 1.64 1.70 1od0A1 LEU 444 HD13 0.12 -0.00 -0.03 -0.04 0.93 0.97 1od0A1 LEU 444 HD23 0.07 -0.01 -0.08 -0.04 0.89 0.83 1od0A1 GLU 445 H -0.05 0.03 0.04 -0.55 8.60 8.07 1od0A1 GLU 445 HA -0.08 0.26 0.67 -0.75 4.29 4.38 1od0A1 GLU 445 HB2 -0.06 0.07 -0.02 -0.04 2.09 2.04 1od0A1 GLU 445 HB3 -0.10 0.07 -0.22 -0.04 1.99 1.70 1od0A1 GLU 445 HG2 -0.02 -0.07 0.03 -0.04 2.34 2.25 1od0A1 GLU 445 HG3 -0.03 0.00 0.01 -0.04 2.34 2.28