============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 41 rings ring int. center anis. iso. PHE 9 1.000 13.344 -30.263 31.855 -99.200 -91.000 HIS 14 0.900 4.954 -16.133 21.739 -99.200 -91.000 TYR 27 0.840 -6.579 -17.857 7.379 -99.200 -91.000 PHE 28 1.000 -6.660 -22.418 10.200 -99.200 -91.000 HIS 31 0.900 -10.333 -17.310 4.758 -99.200 -91.000 TRP 32 1.040 -11.755 -26.403 8.865 -99.200 -91.000 TRP6 32 1.020 -10.014 -27.324 7.562 -99.200 -91.000 PHE 34 1.000 -14.206 -24.871 11.820 -99.200 -91.000 PHE 43 1.000 -10.761 -23.920 15.089 -99.200 -91.000 PHE 48 1.000 -7.040 -27.987 16.963 -99.200 -91.000 TYR 55 0.840 3.136 -29.336 22.403 -99.200 -91.000 PHE 56 1.000 6.212 -25.185 18.175 -99.200 -91.000 HIS 65 0.900 1.621 -15.179 11.482 -99.200 -91.000 PHE 66 1.000 4.602 -16.697 9.096 -99.200 -91.000 PHE 75 1.000 -3.206 -31.591 16.855 -99.200 -91.000 TYR 83 0.840 -14.947 -37.938 11.815 -99.200 -91.000 PHE 86 1.000 -6.236 -46.420 7.580 -99.200 -91.000 TYR 92 0.840 -7.835 -33.845 2.670 -99.200 -91.000 TYR 114 0.840 -9.288 -20.461 0.656 -99.200 -91.000 TYR 117 0.840 -0.474 -21.031 -3.751 -99.200 -91.000 TRP 120 1.040 3.212 -24.882 3.461 -99.200 -91.000 TRP6 120 1.020 5.359 -25.254 4.368 -99.200 -91.000 HIS 126 0.900 9.029 -13.625 8.974 -99.200 -91.000 PHE 139 1.000 5.736 -31.138 1.551 -99.200 -91.000 PHE 141 1.000 2.243 -34.843 11.605 -99.200 -91.000 TYR 159 0.840 6.037 -47.375 22.437 -99.200 -91.000 TYR 162 0.840 7.402 -46.899 15.446 -99.200 -91.000 PHE 178 1.000 9.234 -20.575 9.657 -99.200 -91.000 HIS 202 0.900 9.641 -35.691 29.033 -99.200 -91.000 TYR 210 0.840 -0.919 -37.195 31.988 -99.200 -91.000 TYR 212 0.840 -3.658 -48.174 29.175 -99.200 -91.000 TYR 217 0.840 -10.906 -46.171 21.855 -99.200 -91.000 PHE 242 1.000 4.146 -38.366 34.835 -99.200 -91.000 TRP 248 1.040 14.293 -41.148 28.790 -99.200 -91.000 TRP6 248 1.020 12.122 -42.076 28.511 -99.200 -91.000 HIS 252 0.900 17.172 -31.249 27.329 -99.200 -91.000 TYR 272 0.840 17.075 -28.004 18.670 -99.200 -91.000 TYR 278 0.840 10.798 -23.266 28.919 -99.200 -91.000 TRP 286 1.040 -2.227 -30.877 24.211 -99.200 -91.000 TRP6 286 1.020 -2.007 -33.105 23.453 -99.200 -91.000 TYR 293 0.840 -3.823 -37.673 24.850 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2oa6A1 SER 13 HA 0.01 -0.04 0.14 -0.75 4.49 3.84 2oa6A1 SER 13 HB2 0.00 -0.05 -0.02 -0.04 3.95 3.84 2oa6A1 SER 13 HB3 0.01 -0.01 0.04 -0.04 3.93 3.92 2oa6A1 LEU 14 H 0.04 0.22 0.05 -0.55 8.37 8.14 2oa6A1 LEU 14 HA 0.01 0.01 0.59 -0.75 4.35 4.21 2oa6A1 LEU 14 HB2 -0.01 -0.05 0.06 -0.04 1.64 1.60 2oa6A1 LEU 14 HB3 0.06 0.05 0.16 -0.04 1.64 1.87 2oa6A1 LEU 14 HG 0.17 0.03 -0.33 -0.04 1.64 1.48 2oa6A1 LEU 14 HD13 0.05 -0.02 -0.10 -0.04 0.93 0.82 2oa6A1 LEU 14 HD23 -0.26 0.00 -0.08 -0.04 0.89 0.51 2oa6A1 GLU 15 H -0.02 0.14 0.12 -0.55 8.60 8.31 2oa6A1 GLU 15 HA -0.02 0.22 0.78 -0.75 4.29 4.52 2oa6A1 GLU 15 HB2 -0.05 -0.07 0.11 -0.04 2.09 2.04 2oa6A1 GLU 15 HB3 -0.05 0.05 -0.04 -0.04 1.99 1.90 2oa6A1 GLU 15 HG2 -0.01 0.04 -0.16 -0.04 2.34 2.17 2oa6A1 GLU 15 HG3 -0.01 0.12 -0.24 -0.04 2.34 2.17 2oa6A1 PRO 16 HA -1.11 0.04 0.41 -0.51 4.44 3.27 2oa6A1 PRO 16 HB2 -0.18 -0.01 0.02 -0.04 2.28 2.07 2oa6A1 PRO 16 HB3 -0.46 0.02 0.05 -0.04 2.02 1.59 2oa6A1 PRO 16 HG2 0.06 0.01 0.05 -0.04 2.03 2.11 2oa6A1 PRO 16 HG3 0.12 0.04 0.01 -0.04 2.03 2.16 2oa6A1 PRO 16 HD2 -0.05 0.03 0.18 -0.04 3.68 3.81 2oa6A1 PRO 16 HD3 0.03 0.39 0.33 -0.04 3.65 4.36 2oa6A1 PRO 17 HA -0.16 0.10 0.57 -0.51 4.44 4.44 2oa6A1 PRO 17 HB2 -0.12 0.04 0.05 -0.04 2.28 2.22 2oa6A1 PRO 17 HB3 -0.14 -0.02 0.11 -0.04 2.02 1.93 2oa6A1 PRO 17 HG2 -0.20 0.06 -0.01 -0.04 2.03 1.83 2oa6A1 PRO 17 HG3 -0.12 -0.05 -0.14 -0.04 2.03 1.67 2oa6A1 PRO 17 HD2 -1.55 0.03 0.19 -0.04 3.68 2.31 2oa6A1 PRO 17 HD3 -0.49 0.19 0.16 -0.04 3.65 3.47 2oa6A1 PRO 18 HA -0.06 0.05 0.39 -0.51 4.44 4.30 2oa6A1 PRO 18 HB2 -0.05 -0.03 0.02 -0.04 2.28 2.17 2oa6A1 PRO 18 HB3 -0.04 0.01 0.06 -0.04 2.02 2.01 2oa6A1 PRO 18 HG2 -0.05 -0.01 0.08 -0.04 2.03 2.01 2oa6A1 PRO 18 HG3 -0.05 0.07 0.09 -0.04 2.03 2.10 2oa6A1 PRO 18 HD2 -0.08 0.05 0.18 -0.04 3.68 3.80 2oa6A1 PRO 18 HD3 -0.09 0.15 0.23 -0.04 3.65 3.90 2oa6A1 SER 19 H -0.04 0.24 0.19 -0.55 8.46 8.30 2oa6A1 SER 19 HA -0.10 0.08 0.76 -0.75 4.49 4.48 2oa6A1 SER 19 HB2 -0.04 0.13 -0.04 -0.04 3.95 3.96 2oa6A1 SER 19 HB3 -0.01 0.09 0.04 -0.04 3.93 4.01 2oa6A1 THR 20 H -0.18 0.14 0.13 -0.55 8.28 7.83 2oa6A1 THR 20 HA 0.02 0.14 0.56 -0.75 4.39 4.36 2oa6A1 THR 20 HB 0.09 0.01 0.14 -0.04 4.32 4.52 2oa6A1 THR 20 HG23 -0.02 -0.00 0.01 -0.04 1.22 1.17 2oa6A1 PHE 21 H 0.00 -0.03 -0.38 -0.55 8.34 7.39 2oa6A1 PHE 21 HA -0.10 0.17 0.79 -0.75 4.62 4.74 2oa6A1 PHE 21 HB2 -0.03 -0.01 -0.02 -0.04 3.15 3.05 2oa6A1 PHE 21 HB3 -0.14 0.04 0.01 -0.04 3.06 2.92 2oa6A1 PHE 21 HD2 -0.11 0.06 -0.29 -0.04 7.28 6.91 2oa6A1 PHE 21 HE2 -0.13 0.00 -0.01 -0.04 7.38 7.19 2oa6A1 PHE 21 HZ 0.03 0.02 0.06 -0.04 7.32 7.38 2oa6A1 GLN 22 H -0.04 0.23 0.14 -0.55 8.47 8.26 2oa6A1 GLN 22 HA 0.08 0.19 0.71 -0.75 4.36 4.58 2oa6A1 GLN 22 HB2 0.07 0.06 0.05 -0.04 2.15 2.29 2oa6A1 GLN 22 HB3 0.07 0.04 -0.19 -0.04 2.02 1.90 2oa6A1 GLN 22 HG2 0.07 -0.07 -0.03 -0.04 2.40 2.34 2oa6A1 GLN 22 HG3 0.16 0.04 -0.17 -0.04 2.39 2.38 2oa6A1 GLN 22 HE21 0.06 -0.04 -0.03 -0.04 6.97 6.92 2oa6A1 GLN 22 HE22 0.08 -0.02 -0.04 -0.04 7.69 7.67 2oa6A1 PRO 23 HA 0.10 0.06 0.44 -0.51 4.44 4.53 2oa6A1 PRO 23 HB2 0.05 0.04 -0.04 -0.04 2.28 2.28 2oa6A1 PRO 23 HB3 0.05 0.10 -0.08 -0.04 2.02 2.04 2oa6A1 PRO 23 HG2 0.05 0.01 0.03 -0.04 2.03 2.08 2oa6A1 PRO 23 HG3 0.04 0.05 0.04 -0.04 2.03 2.12 2oa6A1 PRO 23 HD2 0.06 0.09 0.20 -0.04 3.68 3.99 2oa6A1 PRO 23 HD3 0.06 0.15 0.11 -0.04 3.65 3.93 2oa6A1 LEU 24 H 0.12 0.35 0.25 -0.55 8.37 8.54 2oa6A1 LEU 24 HA 0.03 0.09 0.72 -0.75 4.35 4.43 2oa6A1 LEU 24 HB2 0.08 0.06 -0.16 -0.04 1.64 1.59 2oa6A1 LEU 24 HB3 -0.16 -0.01 0.04 -0.04 1.64 1.46 2oa6A1 LEU 24 HG -0.16 0.07 -0.24 -0.04 1.64 1.26 2oa6A1 LEU 24 HD13 -0.06 -0.02 0.05 -0.04 0.93 0.85 2oa6A1 LEU 24 HD23 -0.56 -0.02 -0.11 -0.04 0.89 0.16 2oa6A1 CYS 25 H -0.02 0.16 0.12 -0.55 8.50 8.22 2oa6A1 CYS 25 HA 0.03 0.38 0.95 -0.75 4.58 5.19 2oa6A1 CYS 25 HB2 0.02 -0.01 -0.12 -0.04 2.97 2.83 2oa6A1 CYS 25 HB3 0.01 -0.03 -0.01 -0.04 2.97 2.90 2oa6A1 HIS 26 H 0.12 0.39 0.12 -0.55 8.41 8.49 2oa6A1 HIS 26 HA -0.02 0.31 0.51 -0.75 4.63 4.67 2oa6A1 HIS 26 HB2 0.03 0.17 0.15 -0.04 3.26 3.58 2oa6A1 HIS 26 HB3 0.02 -0.19 0.04 -0.04 3.20 3.03 2oa6A1 HIS 26 HD2 0.02 0.05 -0.07 -0.04 6.97 6.93 2oa6A1 HIS 26 HE1 0.00 -0.09 -0.00 -0.04 7.75 7.62 2oa6A1 PRO 27 HA -0.05 0.11 0.46 -0.51 4.44 4.44 2oa6A1 PRO 27 HB2 -0.12 -0.06 0.12 -0.04 2.28 2.18 2oa6A1 PRO 27 HB3 -0.08 0.02 0.13 -0.04 2.02 2.05 2oa6A1 PRO 27 HG2 -0.27 0.04 0.13 -0.04 2.03 1.89 2oa6A1 PRO 27 HG3 -0.19 0.08 0.17 -0.04 2.03 2.05 2oa6A1 PRO 27 HD2 -1.55 0.06 0.23 -0.04 3.68 2.38 2oa6A1 PRO 27 HD3 -0.47 0.37 0.33 -0.04 3.65 3.84 2oa6A1 LEU 28 H 0.40 0.18 -0.18 -0.55 8.37 8.22 2oa6A1 LEU 28 HA 0.08 0.15 0.62 -0.75 4.35 4.44 2oa6A1 LEU 28 HB2 0.17 0.06 0.04 -0.04 1.64 1.86 2oa6A1 LEU 28 HB3 0.07 -0.10 0.20 -0.04 1.64 1.77 2oa6A1 LEU 28 HG 0.19 0.02 0.04 -0.04 1.64 1.85 2oa6A1 LEU 28 HD13 0.09 0.01 0.07 -0.04 0.93 1.06 2oa6A1 LEU 28 HD23 0.05 0.02 -0.05 -0.04 0.89 0.86 2oa6A1 VAL 29 H 0.14 0.67 -0.57 -0.55 8.24 7.93 2oa6A1 VAL 29 HA 0.06 -0.02 0.22 -0.75 4.13 3.63 2oa6A1 VAL 29 HB 0.09 0.06 0.05 -0.04 2.12 2.28 2oa6A1 VAL 29 HG13 0.04 0.05 -0.03 -0.04 0.97 0.99 2oa6A1 VAL 29 HG23 0.04 -0.01 -0.15 -0.04 0.95 0.78 2oa6A1 GLU 30 H 0.04 0.21 -0.21 -0.55 8.60 8.09 2oa6A1 GLU 30 HA 0.02 0.08 0.37 -0.75 4.29 4.01 2oa6A1 GLU 30 HB2 0.02 -0.04 0.09 -0.04 2.09 2.12 2oa6A1 GLU 30 HB3 0.02 0.03 -0.02 -0.04 1.99 1.97 2oa6A1 GLU 30 HG2 0.02 0.04 0.05 -0.04 2.34 2.40 2oa6A1 GLU 30 HG3 0.01 0.03 0.02 -0.04 2.34 2.36 2oa6A1 GLU 31 H 0.03 0.11 -0.15 -0.55 8.60 8.04 2oa6A1 GLU 31 HA 0.02 0.05 0.36 -0.75 4.29 3.96 2oa6A1 GLU 31 HB2 0.02 0.06 0.20 -0.04 2.09 2.34 2oa6A1 GLU 31 HB3 0.01 0.01 0.02 -0.04 1.99 1.99 2oa6A1 GLU 31 HG2 0.02 0.02 0.05 -0.04 2.34 2.39 2oa6A1 GLU 31 HG3 0.01 0.02 0.04 -0.04 2.34 2.38 2oa6A1 VAL 32 H 0.02 0.55 -0.02 -0.55 8.24 8.24 2oa6A1 VAL 32 HA 0.01 -0.01 0.34 -0.75 4.13 3.72 2oa6A1 VAL 32 HB 0.00 0.07 -0.06 -0.04 2.12 2.09 2oa6A1 VAL 32 HG13 0.01 -0.02 -0.13 -0.04 0.97 0.80 2oa6A1 VAL 32 HG23 -0.04 0.09 -0.00 -0.04 0.95 0.96 2oa6A1 SER 33 H 0.03 0.65 -0.27 -0.55 8.46 8.32 2oa6A1 SER 33 HA 0.05 -0.11 0.32 -0.75 4.49 4.00 2oa6A1 SER 33 HB2 0.02 0.13 0.08 -0.04 3.95 4.13 2oa6A1 SER 33 HB3 0.02 0.13 0.13 -0.04 3.93 4.16 2oa6A1 LYS 34 H 0.03 0.52 -0.14 -0.55 8.42 8.28 2oa6A1 LYS 34 HA 0.05 0.01 0.44 -0.75 4.32 4.07 2oa6A1 LYS 34 HB2 0.03 0.20 0.22 -0.04 1.87 2.27 2oa6A1 LYS 34 HB3 0.04 -0.01 -0.00 -0.04 1.79 1.77 2oa6A1 LYS 34 HG2 0.03 -0.02 0.02 -0.04 1.46 1.45 2oa6A1 LYS 34 HG3 0.04 -0.04 0.04 -0.04 1.46 1.46 2oa6A1 LYS 34 HD2 0.02 -0.02 0.00 -0.04 1.69 1.65 2oa6A1 LYS 34 HD3 0.02 -0.04 -0.01 -0.04 1.68 1.61 2oa6A1 LYS 34 HE2 0.02 0.17 0.04 -0.04 2.99 3.18 2oa6A1 LYS 34 HE3 0.01 -0.05 -0.02 -0.04 2.99 2.89 2oa6A1 GLU 35 H 0.05 0.48 -0.05 -0.55 8.60 8.53 2oa6A1 GLU 35 HA 0.07 0.01 0.39 -0.75 4.29 4.00 2oa6A1 GLU 35 HB2 0.01 0.05 0.09 -0.04 2.09 2.20 2oa6A1 GLU 35 HB3 0.03 0.07 0.19 -0.04 1.99 2.24 2oa6A1 GLU 35 HG2 0.00 -0.01 -0.13 -0.04 2.34 2.16 2oa6A1 GLU 35 HG3 -0.02 -0.01 0.01 -0.04 2.34 2.28 2oa6A1 VAL 36 H 0.11 0.75 -0.01 -0.55 8.24 8.54 2oa6A1 VAL 36 HA 0.26 0.03 0.44 -0.75 4.13 4.10 2oa6A1 VAL 36 HB 0.17 0.02 0.00 -0.04 2.12 2.27 2oa6A1 VAL 36 HG13 0.35 -0.01 -0.20 -0.04 0.97 1.07 2oa6A1 VAL 36 HG23 0.10 0.03 0.00 -0.04 0.95 1.05 2oa6A1 ASP 37 H 0.18 0.67 -0.08 -0.55 8.40 8.63 2oa6A1 ASP 37 HA 0.47 -0.02 0.43 -0.75 4.63 4.75 2oa6A1 ASP 37 HB2 0.12 0.16 0.22 -0.04 2.71 3.16 2oa6A1 ASP 37 HB3 0.15 -0.04 -0.00 -0.04 2.70 2.76 2oa6A1 GLY 38 H 0.20 0.63 -0.16 -0.55 8.43 8.56 2oa6A1 GLY 38 HA2 0.16 -0.01 0.37 -0.51 4.01 4.03 2oa6A1 GLY 38 HA3 0.15 0.10 0.32 -0.51 4.01 4.07 2oa6A1 TYR 39 H 0.32 0.54 -0.03 -0.55 8.29 8.57 2oa6A1 TYR 39 HA 0.13 0.00 0.34 -0.75 4.56 4.28 2oa6A1 TYR 39 HB2 0.10 0.05 0.14 -0.04 3.06 3.31 2oa6A1 TYR 39 HB3 0.14 0.08 0.17 -0.04 2.98 3.32 2oa6A1 TYR 39 HD2 -0.41 0.01 -0.13 -0.04 7.15 6.58 2oa6A1 TYR 39 HE2 -0.29 -0.01 -0.08 -0.04 6.85 6.43 2oa6A1 PHE 40 H 0.65 0.52 -0.16 -0.55 8.34 8.79 2oa6A1 PHE 40 HA 0.33 -0.07 0.41 -0.75 4.62 4.54 2oa6A1 PHE 40 HB2 0.38 0.14 0.11 -0.04 3.15 3.74 2oa6A1 PHE 40 HB3 0.04 -0.05 -0.00 -0.04 3.06 3.01 2oa6A1 PHE 40 HD2 0.19 0.16 0.04 -0.04 7.28 7.62 2oa6A1 PHE 40 HE2 0.06 -0.04 -0.01 -0.04 7.38 7.35 2oa6A1 PHE 40 HZ 0.03 0.10 0.02 -0.04 7.32 7.43 2oa6A1 LEU 41 H 0.37 0.56 -0.18 -0.55 8.37 8.57 2oa6A1 LEU 41 HA 0.36 -0.03 0.47 -0.75 4.35 4.40 2oa6A1 LEU 41 HB2 0.18 0.12 0.23 -0.04 1.64 2.14 2oa6A1 LEU 41 HB3 0.11 -0.08 0.02 -0.04 1.64 1.65 2oa6A1 LEU 41 HG 0.38 0.08 0.04 -0.04 1.64 2.10 2oa6A1 LEU 41 HD13 0.13 -0.04 -0.09 -0.04 0.93 0.89 2oa6A1 LEU 41 HD23 -0.10 -0.02 0.01 -0.04 0.89 0.74 2oa6A1 GLN 42 H 0.06 0.72 -0.02 -0.55 8.47 8.68 2oa6A1 GLN 42 HA -0.07 -0.02 0.40 -0.75 4.36 3.92 2oa6A1 GLN 42 HB2 -0.11 -0.07 0.05 -0.04 2.15 1.97 2oa6A1 GLN 42 HB3 -0.39 0.11 0.13 -0.04 2.02 1.83 2oa6A1 GLN 42 HG2 -0.70 0.02 -0.15 -0.04 2.40 1.53 2oa6A1 GLN 42 HG3 -0.21 -0.04 0.04 -0.04 2.39 2.14 2oa6A1 GLN 42 HE21 -0.02 -0.05 -0.04 -0.04 6.97 6.83 2oa6A1 GLN 42 HE22 -0.41 0.02 -0.07 -0.04 7.69 7.19 2oa6A1 HIS 43 H -0.05 0.35 -0.11 -0.55 8.41 8.05 2oa6A1 HIS 43 HA -0.00 0.21 1.00 -0.75 4.63 5.08 2oa6A1 HIS 43 HB2 -0.36 -0.03 0.01 -0.04 3.26 2.84 2oa6A1 HIS 43 HB3 -0.13 -0.10 -0.06 -0.04 3.20 2.87 2oa6A1 HIS 43 HD2 -1.63 0.02 -0.02 -0.04 6.97 5.29 2oa6A1 HIS 43 HE1 -0.05 -0.03 -0.06 -0.04 7.75 7.57 2oa6A1 TRP 44 H 0.33 0.43 0.22 -0.55 7.97 8.40 2oa6A1 TRP 44 HA -0.13 -0.11 0.37 -0.75 4.62 4.00 2oa6A1 TRP 44 HB2 0.14 -0.10 0.15 -0.04 3.23 3.37 2oa6A1 TRP 44 HB3 -0.34 0.11 0.04 -0.04 3.23 3.00 2oa6A1 TRP 44 HD1 -3.21 -0.04 -0.27 -0.04 7.22 3.66 2oa6A1 TRP 44 HE1 -0.42 0.03 -0.13 -0.04 10.20 9.64 2oa6A1 TRP 44 HE3 0.11 0.01 -0.07 -0.04 7.59 7.59 2oa6A1 TRP 44 HZ2 -0.06 0.08 -0.10 -0.04 7.44 7.32 2oa6A1 TRP 44 HZ3 0.09 -0.03 -0.04 -0.04 7.13 7.11 2oa6A1 TRP 44 HH2 0.08 0.02 -0.07 -0.04 7.19 7.19 2oa6A1 ASN 45 H -1.64 0.02 0.09 -0.55 8.53 6.46 2oa6A1 ASN 45 HA -0.23 0.28 0.78 -0.75 4.76 4.84 2oa6A1 ASN 45 HB2 -0.43 0.03 0.11 -0.04 2.88 2.55 2oa6A1 ASN 45 HB3 -0.63 -0.07 0.22 -0.04 2.79 2.27 2oa6A1 ASN 45 HD21 -0.12 -0.01 -0.03 -0.04 7.03 6.83 2oa6A1 ASN 45 HD22 -0.23 -0.05 0.06 -0.04 7.74 7.48 2oa6A1 PHE 46 H 0.13 0.36 -0.09 -0.55 8.34 8.18 2oa6A1 PHE 46 HA 0.13 0.10 0.48 -0.75 4.62 4.57 2oa6A1 PHE 46 HB2 0.09 0.05 0.07 -0.04 3.15 3.31 2oa6A1 PHE 46 HB3 0.11 -0.12 -0.02 -0.04 3.06 3.00 2oa6A1 PHE 46 HD2 0.17 0.08 -0.09 -0.04 7.28 7.41 2oa6A1 PHE 46 HE2 -0.07 0.11 -0.15 -0.04 7.38 7.23 2oa6A1 PHE 46 HZ -1.58 -0.04 -0.12 -0.04 7.32 5.54 2oa6A1 PRO 47 HA 0.02 0.13 0.41 -0.51 4.44 4.49 2oa6A1 PRO 47 HB2 0.01 -0.01 0.07 -0.04 2.28 2.31 2oa6A1 PRO 47 HB3 -0.01 0.08 0.14 -0.04 2.02 2.19 2oa6A1 PRO 47 HG2 0.09 -0.11 0.05 -0.04 2.03 2.02 2oa6A1 PRO 47 HG3 0.03 0.08 0.09 -0.04 2.03 2.18 2oa6A1 PRO 47 HD2 0.28 0.01 0.21 -0.04 3.68 4.13 2oa6A1 PRO 47 HD3 0.08 0.25 0.26 -0.04 3.65 4.20 2oa6A1 ASN 48 H 0.15 0.17 -0.27 -0.55 8.53 8.03 2oa6A1 ASN 48 HA 0.05 0.21 0.48 -0.75 4.76 4.75 2oa6A1 ASN 48 HB2 0.04 -0.11 0.17 -0.04 2.88 2.94 2oa6A1 ASN 48 HB3 0.03 0.29 -0.05 -0.04 2.79 3.03 2oa6A1 ASN 48 HD21 0.04 0.05 -0.05 -0.04 7.03 7.04 2oa6A1 ASN 48 HD22 0.03 0.17 -0.18 -0.04 7.74 7.71 2oa6A1 GLU 49 H 0.03 0.24 0.16 -0.55 8.60 8.48 2oa6A1 GLU 49 HA 0.02 0.16 0.49 -0.75 4.29 4.20 2oa6A1 GLU 49 HB2 0.02 0.03 0.15 -0.04 2.09 2.25 2oa6A1 GLU 49 HB3 0.01 0.03 0.00 -0.04 1.99 1.99 2oa6A1 GLU 49 HG2 0.01 0.05 0.06 -0.04 2.34 2.43 2oa6A1 GLU 49 HG3 0.01 0.04 0.04 -0.04 2.34 2.39 2oa6A1 LYS 50 H 0.03 0.05 -0.25 -0.55 8.42 7.70 2oa6A1 LYS 50 HA 0.02 0.14 0.47 -0.75 4.32 4.20 2oa6A1 LYS 50 HB2 0.02 0.05 0.07 -0.04 1.87 1.97 2oa6A1 LYS 50 HB3 0.04 -0.06 0.08 -0.04 1.79 1.81 2oa6A1 LYS 50 HG2 0.04 0.01 -0.42 -0.04 1.46 1.05 2oa6A1 LYS 50 HG3 0.02 0.03 -0.04 -0.04 1.46 1.44 2oa6A1 LYS 50 HD2 0.03 0.06 -0.06 -0.04 1.69 1.68 2oa6A1 LYS 50 HD3 0.03 0.02 -0.02 -0.04 1.68 1.66 2oa6A1 LYS 50 HE2 0.03 0.07 -0.03 -0.04 2.99 3.02 2oa6A1 LYS 50 HE3 0.04 -0.07 -0.02 -0.04 2.99 2.90 2oa6A1 ALA 51 H 0.07 0.09 -0.12 -0.55 8.40 7.89 2oa6A1 ALA 51 HA 0.11 0.08 0.34 -0.75 4.34 4.12 2oa6A1 ALA 51 HB3 0.21 0.04 0.06 -0.04 1.41 1.68 2oa6A1 ARG 52 H 0.00 0.25 -0.46 -0.55 8.46 7.71 2oa6A1 ARG 52 HA -0.68 0.06 0.38 -0.75 4.34 3.35 2oa6A1 ARG 52 HB2 -0.06 0.06 0.14 -0.04 1.90 1.99 2oa6A1 ARG 52 HB3 -0.16 0.01 -0.01 -0.04 1.80 1.61 2oa6A1 ARG 52 HG2 -0.39 0.04 0.03 -0.04 1.67 1.31 2oa6A1 ARG 52 HG3 -0.00 0.08 0.04 -0.04 1.67 1.75 2oa6A1 ARG 52 HD2 0.08 0.08 -0.08 -0.04 3.22 3.26 2oa6A1 ARG 52 HD3 0.02 -0.15 -0.07 -0.04 3.22 2.98 2oa6A1 LYS 53 H -0.02 0.47 -0.11 -0.55 8.42 8.20 2oa6A1 LYS 53 HA -0.02 -0.00 0.40 -0.75 4.32 3.94 2oa6A1 LYS 53 HB2 -0.00 0.15 0.25 -0.04 1.87 2.23 2oa6A1 LYS 53 HB3 -0.01 -0.03 0.02 -0.04 1.79 1.72 2oa6A1 LYS 53 HG2 -0.01 -0.04 0.07 -0.04 1.46 1.43 2oa6A1 LYS 53 HG3 -0.01 0.13 0.15 -0.04 1.46 1.69 2oa6A1 LYS 53 HD2 0.00 -0.03 0.03 -0.04 1.69 1.65 2oa6A1 LYS 53 HD3 -0.00 -0.01 0.02 -0.04 1.68 1.64 2oa6A1 LYS 53 HE2 -0.00 -0.01 0.01 -0.04 2.99 2.95 2oa6A1 LYS 53 HE3 0.00 0.00 0.01 -0.04 2.99 2.96 2oa6A1 LYS 54 H 0.02 0.61 -0.10 -0.55 8.42 8.39 2oa6A1 LYS 54 HA -0.02 0.00 0.33 -0.75 4.32 3.87 2oa6A1 LYS 54 HB2 0.04 -0.03 0.04 -0.04 1.87 1.88 2oa6A1 LYS 54 HB3 0.08 0.07 0.13 -0.04 1.79 2.04 2oa6A1 LYS 54 HG2 0.08 0.03 -0.24 -0.04 1.46 1.29 2oa6A1 LYS 54 HG3 0.00 -0.04 -0.02 -0.04 1.46 1.36 2oa6A1 LYS 54 HD2 0.05 -0.02 -0.04 -0.04 1.69 1.64 2oa6A1 LYS 54 HD3 0.09 -0.02 -0.04 -0.04 1.68 1.67 2oa6A1 LYS 54 HE2 0.08 0.01 -0.06 -0.04 2.99 2.98 2oa6A1 LYS 54 HE3 0.02 -0.02 -0.06 -0.04 2.99 2.89 2oa6A1 PHE 55 H 0.12 0.62 -0.29 -0.55 8.34 8.23 2oa6A1 PHE 55 HA -0.03 -0.03 0.40 -0.75 4.62 4.20 2oa6A1 PHE 55 HB2 0.16 -0.02 0.10 -0.04 3.15 3.35 2oa6A1 PHE 55 HB3 -0.31 0.23 0.26 -0.04 3.06 3.19 2oa6A1 PHE 55 HD2 0.12 0.04 -0.02 -0.04 7.28 7.38 2oa6A1 PHE 55 HE2 0.21 0.04 -0.00 -0.04 7.38 7.59 2oa6A1 PHE 55 HZ 0.14 -0.02 -0.03 -0.04 7.32 7.37 2oa6A1 VAL 56 H -0.05 0.57 -0.05 -0.55 8.24 8.16 2oa6A1 VAL 56 HA -0.41 -0.05 0.42 -0.75 4.13 3.34 2oa6A1 VAL 56 HB -0.07 0.11 0.18 -0.04 2.12 2.30 2oa6A1 VAL 56 HG13 -0.07 -0.02 -0.09 -0.04 0.97 0.75 2oa6A1 VAL 56 HG23 0.03 0.06 0.02 -0.04 0.95 1.01 2oa6A1 ALA 57 H -0.13 0.59 -0.09 -0.55 8.40 8.21 2oa6A1 ALA 57 HA -0.12 0.03 0.47 -0.75 4.34 3.97 2oa6A1 ALA 57 HB3 -0.08 0.00 0.06 -0.04 1.41 1.34 2oa6A1 ALA 58 H -0.31 0.42 -0.29 -0.55 8.40 7.67 2oa6A1 ALA 58 HA -0.28 -0.00 0.42 -0.75 4.34 3.72 2oa6A1 ALA 58 HB3 -0.75 0.02 0.09 -0.04 1.41 0.73 2oa6A1 GLY 59 H -0.46 0.37 -0.34 -0.55 8.43 7.45 2oa6A1 GLY 59 HA2 -0.26 0.02 0.34 -0.51 4.01 3.61 2oa6A1 GLY 59 HA3 -0.16 0.08 0.29 -0.51 4.01 3.72 2oa6A1 PHE 60 H -0.41 0.22 -0.08 -0.55 8.34 7.52 2oa6A1 PHE 60 HA 0.03 0.13 0.32 -0.75 4.62 4.35 2oa6A1 PHE 60 HB2 -0.06 -0.01 0.04 -0.04 3.15 3.08 2oa6A1 PHE 60 HB3 0.02 0.01 -0.04 -0.04 3.06 3.02 2oa6A1 PHE 60 HD2 0.19 -0.01 0.00 -0.04 7.28 7.42 2oa6A1 PHE 60 HE2 -0.09 0.01 -0.02 -0.04 7.38 7.25 2oa6A1 PHE 60 HZ -0.05 0.03 -0.07 -0.04 7.32 7.20 2oa6A1 SER 61 H 0.03 0.10 -0.35 -0.55 8.46 7.70 2oa6A1 SER 61 HA 0.04 0.09 0.52 -0.75 4.49 4.39 2oa6A1 SER 61 HB2 0.03 0.03 0.01 -0.04 3.95 3.99 2oa6A1 SER 61 HB3 0.04 -0.01 -0.09 -0.04 3.93 3.83 2oa6A1 ARG 62 H 0.00 0.27 -0.16 -0.55 8.46 8.02 2oa6A1 ARG 62 HA 0.03 0.01 0.43 -0.75 4.34 4.06 2oa6A1 ARG 62 HB2 0.01 0.23 0.12 -0.04 1.90 2.22 2oa6A1 ARG 62 HB3 0.02 0.01 0.02 -0.04 1.80 1.81 2oa6A1 ARG 62 HG2 0.00 -0.03 -0.03 -0.04 1.67 1.57 2oa6A1 ARG 62 HG3 -0.02 -0.12 0.06 -0.04 1.67 1.55 2oa6A1 ARG 62 HD2 -0.03 -0.00 -0.00 -0.04 3.22 3.14 2oa6A1 ARG 62 HD3 -0.04 0.12 0.01 -0.04 3.22 3.27 2oa6A1 VAL 63 H 0.06 0.43 -0.20 -0.55 8.24 7.98 2oa6A1 VAL 63 HA 0.16 0.09 0.39 -0.75 4.13 4.02 2oa6A1 VAL 63 HB 0.04 0.10 0.10 -0.04 2.12 2.31 2oa6A1 VAL 63 HG13 -0.24 -0.01 -0.08 -0.04 0.97 0.60 2oa6A1 VAL 63 HG23 0.23 0.09 0.01 -0.04 0.95 1.24 2oa6A1 THR 64 H -0.02 0.42 -0.21 -0.55 8.28 7.92 2oa6A1 THR 64 HA -0.35 0.04 0.32 -0.75 4.39 3.64 2oa6A1 THR 64 HB -0.01 0.09 0.11 -0.04 4.32 4.47 2oa6A1 THR 64 HG23 0.09 -0.03 -0.30 -0.04 1.22 0.94 2oa6A1 CYS 65 H 0.02 0.49 -0.31 -0.55 8.50 8.15 2oa6A1 CYS 65 HA 0.10 0.05 0.36 -0.75 4.58 4.34 2oa6A1 CYS 65 HB2 0.06 0.16 0.14 -0.04 2.97 3.28 2oa6A1 CYS 65 HB3 0.12 -0.16 0.08 -0.04 2.97 2.96 2oa6A1 LEU 66 H 0.06 0.33 -0.48 -0.55 8.37 7.72 2oa6A1 LEU 66 HA 0.03 0.08 0.57 -0.75 4.35 4.28 2oa6A1 LEU 66 HB2 0.09 0.09 0.20 -0.04 1.64 1.98 2oa6A1 LEU 66 HB3 0.07 0.07 0.06 -0.04 1.64 1.79 2oa6A1 LEU 66 HG 0.05 -0.06 -0.02 -0.04 1.64 1.57 2oa6A1 LEU 66 HD13 0.12 -0.00 -0.03 -0.04 0.93 0.97 2oa6A1 LEU 66 HD23 -0.02 -0.00 0.08 -0.04 0.89 0.92 2oa6A1 TYR 67 H 0.06 0.34 -0.15 -0.55 8.29 7.99 2oa6A1 TYR 67 HA -0.14 0.10 0.57 -0.75 4.56 4.34 2oa6A1 TYR 67 HB2 -0.89 0.03 0.11 -0.04 3.06 2.27 2oa6A1 TYR 67 HB3 -0.80 -0.06 -0.02 -0.04 2.98 2.06 2oa6A1 TYR 67 HD2 -0.26 0.20 0.01 -0.04 7.15 7.05 2oa6A1 TYR 67 HE2 -0.33 -0.03 -0.04 -0.04 6.85 6.41 2oa6A1 PHE 68 H -0.03 0.50 -0.14 -0.55 8.34 8.11 2oa6A1 PHE 68 HA 0.05 0.19 0.87 -0.75 4.62 4.98 2oa6A1 PHE 68 HB2 0.02 -0.01 0.16 -0.04 3.15 3.28 2oa6A1 PHE 68 HB3 0.03 -0.09 0.13 -0.04 3.06 3.08 2oa6A1 PHE 68 HD2 -0.00 0.06 -0.12 -0.04 7.28 7.17 2oa6A1 PHE 68 HE2 -0.08 0.04 -0.06 -0.04 7.38 7.24 2oa6A1 PHE 68 HZ -0.16 -0.05 -0.04 -0.04 7.32 7.03 2oa6A1 PRO 69 HA 0.11 -0.04 0.46 -0.51 4.44 4.46 2oa6A1 PRO 69 HB2 -0.19 -0.07 -0.29 -0.04 2.28 1.69 2oa6A1 PRO 69 HB3 -0.03 0.30 -0.28 -0.04 2.02 1.97 2oa6A1 PRO 69 HG2 -0.21 -0.08 -0.09 -0.04 2.03 1.60 2oa6A1 PRO 69 HG3 -0.08 0.07 -0.00 -0.04 2.03 1.98 2oa6A1 PRO 69 HD2 0.12 0.21 -0.30 -0.04 3.68 3.67 2oa6A1 PRO 69 HD3 0.05 0.40 -0.57 -0.04 3.65 3.49 2oa6A1 LYS 70 H 0.05 0.10 -0.45 -0.55 8.42 7.56 2oa6A1 LYS 70 HA -0.08 0.18 0.75 -0.75 4.32 4.42 2oa6A1 LYS 70 HB2 0.01 0.01 -0.04 -0.04 1.87 1.81 2oa6A1 LYS 70 HB3 -0.03 -0.02 0.09 -0.04 1.79 1.80 2oa6A1 LYS 70 HG2 -0.25 -0.03 -0.19 -0.04 1.46 0.95 2oa6A1 LYS 70 HG3 -0.07 0.00 -0.08 -0.04 1.46 1.27 2oa6A1 LYS 70 HD2 -0.09 -0.02 -0.01 -0.04 1.69 1.53 2oa6A1 LYS 70 HD3 -0.20 0.06 -0.11 -0.04 1.68 1.40 2oa6A1 LYS 70 HE2 -0.57 0.03 -0.09 -0.04 2.99 2.32 2oa6A1 LYS 70 HE3 -0.08 -0.02 -0.08 -0.04 2.99 2.77 2oa6A1 ALA 71 H 0.21 0.36 -0.33 -0.55 8.40 8.09 2oa6A1 ALA 71 HA 0.02 0.04 0.17 -0.75 4.34 3.82 2oa6A1 ALA 71 HB3 0.05 -0.01 0.04 -0.04 1.41 1.44 2oa6A1 LEU 72 H -0.01 0.72 0.34 -0.55 8.37 8.88 2oa6A1 LEU 72 HA 0.05 0.10 0.50 -0.75 4.35 4.25 2oa6A1 LEU 72 HB2 -0.04 0.04 0.15 -0.04 1.64 1.75 2oa6A1 LEU 72 HB3 0.01 -0.17 0.07 -0.04 1.64 1.51 2oa6A1 LEU 72 HG -0.03 0.10 0.08 -0.04 1.64 1.75 2oa6A1 LEU 72 HD13 -0.05 0.02 -0.13 -0.04 0.93 0.73 2oa6A1 LEU 72 HD23 0.00 -0.00 0.05 -0.04 0.89 0.89 2oa6A1 ASP 73 H 0.08 0.20 0.20 -0.55 8.40 8.33 2oa6A1 ASP 73 HA 0.14 0.09 0.40 -0.75 4.63 4.51 2oa6A1 ASP 73 HB2 0.06 0.01 0.12 -0.04 2.71 2.85 2oa6A1 ASP 73 HB3 0.07 0.00 0.07 -0.04 2.70 2.80 2oa6A1 ASP 74 H 0.04 0.11 -0.23 -0.55 8.40 7.78 2oa6A1 ASP 74 HA 0.03 0.21 0.86 -0.75 4.63 4.98 2oa6A1 ASP 74 HB2 0.12 0.05 0.15 -0.04 2.71 2.99 2oa6A1 ASP 74 HB3 0.07 -0.02 0.02 -0.04 2.70 2.73 2oa6A1 ARG 75 H -0.04 0.32 -0.33 -0.55 8.46 7.86 2oa6A1 ARG 75 HA -0.05 0.23 0.95 -0.75 4.34 4.72 2oa6A1 ARG 75 HB2 -0.11 0.16 0.15 -0.04 1.90 2.07 2oa6A1 ARG 75 HB3 -0.13 -0.03 0.07 -0.04 1.80 1.67 2oa6A1 ARG 75 HG2 -0.45 0.08 -0.09 -0.04 1.67 1.17 2oa6A1 ARG 75 HG3 -0.13 -0.12 -0.21 -0.04 1.67 1.18 2oa6A1 ARG 75 HD2 -0.34 0.08 -0.04 -0.04 3.22 2.88 2oa6A1 ARG 75 HD3 -0.85 0.01 -0.02 -0.04 3.22 2.31 2oa6A1 ILE 76 H -0.10 0.42 0.05 -0.55 8.25 8.08 2oa6A1 ILE 76 HA -0.08 0.07 0.32 -0.75 4.18 3.73 2oa6A1 ILE 76 HB -0.45 0.16 -0.01 -0.04 1.89 1.55 2oa6A1 ILE 76 HG12 -0.49 -0.01 -0.11 -0.04 1.49 0.83 2oa6A1 ILE 76 HG13 -0.14 -0.08 -0.33 -0.04 1.21 0.61 2oa6A1 ILE 76 HG23 -0.30 -0.01 -0.03 -0.04 0.93 0.56 2oa6A1 ILE 76 HD13 0.02 0.02 -0.02 -0.04 0.88 0.86 2oa6A1 HIS 77 H -0.08 0.16 -0.44 -0.55 8.41 7.51 2oa6A1 HIS 77 HA -0.10 0.02 0.31 -0.75 4.63 4.10 2oa6A1 HIS 77 HB2 -0.15 -0.01 0.02 -0.04 3.26 3.09 2oa6A1 HIS 77 HB3 -0.19 0.02 0.01 -0.04 3.20 2.99 2oa6A1 HIS 77 HD2 -0.42 -0.02 -0.22 -0.04 6.97 6.26 2oa6A1 HIS 77 HE1 -0.70 0.04 -0.10 -0.04 7.75 6.94 2oa6A1 PHE 78 H -0.66 0.40 -0.32 -0.55 8.34 7.21 2oa6A1 PHE 78 HA -0.41 0.05 0.39 -0.75 4.62 3.90 2oa6A1 PHE 78 HB2 -0.16 0.17 0.11 -0.04 3.15 3.23 2oa6A1 PHE 78 HB3 -0.33 -0.01 -0.01 -0.04 3.06 2.67 2oa6A1 PHE 78 HD2 -0.29 -0.01 0.06 -0.04 7.28 7.00 2oa6A1 PHE 78 HE2 -0.30 0.02 -0.05 -0.04 7.38 7.01 2oa6A1 PHE 78 HZ 0.15 0.05 -0.04 -0.04 7.32 7.44 2oa6A1 ALA 79 H -0.03 0.34 -0.21 -0.55 8.40 7.95 2oa6A1 ALA 79 HA -0.09 0.04 0.38 -0.75 4.34 3.92 2oa6A1 ALA 79 HB3 0.07 0.05 0.05 -0.04 1.41 1.55 2oa6A1 CYS 80 H -0.01 0.46 -0.10 -0.55 8.50 8.30 2oa6A1 CYS 80 HA -0.01 0.05 0.41 -0.75 4.58 4.28 2oa6A1 CYS 80 HB2 0.04 0.07 0.01 -0.04 2.97 3.06 2oa6A1 CYS 80 HB3 0.04 -0.12 0.00 -0.04 2.97 2.86 2oa6A1 ARG 81 H 0.00 0.51 -0.27 -0.55 8.46 8.14 2oa6A1 ARG 81 HA 0.23 0.00 0.40 -0.75 4.34 4.22 2oa6A1 ARG 81 HB2 -0.01 0.11 0.07 -0.04 1.90 2.03 2oa6A1 ARG 81 HB3 0.12 -0.04 0.04 -0.04 1.80 1.87 2oa6A1 ARG 81 HG2 0.11 -0.14 0.02 -0.04 1.67 1.62 2oa6A1 ARG 81 HG3 0.02 0.90 0.25 -0.04 1.67 2.80 2oa6A1 ARG 81 HD2 0.29 -0.08 -0.18 -0.04 3.22 3.21 2oa6A1 ARG 81 HD3 0.01 0.01 -0.05 -0.04 3.22 3.15 2oa6A1 LEU 82 H -0.10 0.55 -0.14 -0.55 8.37 8.13 2oa6A1 LEU 82 HA -0.10 0.04 0.39 -0.75 4.35 3.93 2oa6A1 LEU 82 HB2 -0.27 0.20 0.14 -0.04 1.64 1.66 2oa6A1 LEU 82 HB3 -0.20 0.01 0.06 -0.04 1.64 1.48 2oa6A1 LEU 82 HG -0.54 0.02 -0.01 -0.04 1.64 1.07 2oa6A1 LEU 82 HD13 -0.24 -0.00 -0.06 -0.04 0.93 0.59 2oa6A1 LEU 82 HD23 -0.01 -0.02 -0.00 -0.04 0.89 0.82 2oa6A1 LEU 83 H -0.14 0.60 -0.06 -0.55 8.37 8.23 2oa6A1 LEU 83 HA -0.32 0.02 0.40 -0.75 4.35 3.70 2oa6A1 LEU 83 HB2 -0.20 0.07 0.08 -0.04 1.64 1.55 2oa6A1 LEU 83 HB3 -0.46 -0.04 0.03 -0.04 1.64 1.13 2oa6A1 LEU 83 HG -0.11 0.15 0.07 -0.04 1.64 1.71 2oa6A1 LEU 83 HD13 -0.32 -0.01 -0.03 -0.04 0.93 0.52 2oa6A1 LEU 83 HD23 -0.38 -0.02 -0.05 -0.04 0.89 0.40 2oa6A1 THR 84 H -0.17 0.51 -0.39 -0.55 8.28 7.68 2oa6A1 THR 84 HA -0.44 -0.03 0.36 -0.75 4.39 3.53 2oa6A1 THR 84 HB -0.46 0.12 0.16 -0.04 4.32 4.10 2oa6A1 THR 84 HG23 -0.77 -0.02 -0.13 -0.04 1.22 0.25 2oa6A1 VAL 85 H -0.19 0.58 -0.13 -0.55 8.24 7.95 2oa6A1 VAL 85 HA -0.42 0.01 0.42 -0.75 4.13 3.38 2oa6A1 VAL 85 HB 0.34 0.02 0.07 -0.04 2.12 2.51 2oa6A1 VAL 85 HG13 0.09 0.05 0.05 -0.04 0.97 1.11 2oa6A1 VAL 85 HG23 0.24 -0.02 -0.04 -0.04 0.95 1.09 2oa6A1 LEU 86 H -0.12 0.60 -0.14 -0.55 8.37 8.17 2oa6A1 LEU 86 HA 0.09 0.03 0.41 -0.75 4.35 4.13 2oa6A1 LEU 86 HB2 -0.18 0.03 0.17 -0.04 1.64 1.62 2oa6A1 LEU 86 HB3 0.09 -0.03 -0.00 -0.04 1.64 1.66 2oa6A1 LEU 86 HG 0.02 0.14 0.05 -0.04 1.64 1.80 2oa6A1 LEU 86 HD13 -0.15 -0.02 -0.07 -0.04 0.93 0.65 2oa6A1 LEU 86 HD23 0.25 -0.01 -0.01 -0.04 0.89 1.08 2oa6A1 PHE 87 H -0.20 0.78 -0.10 -0.55 8.34 8.26 2oa6A1 PHE 87 HA -0.14 -0.00 0.40 -0.75 4.62 4.13 2oa6A1 PHE 87 HB2 -0.73 0.30 0.22 -0.04 3.15 2.90 2oa6A1 PHE 87 HB3 -1.15 -0.04 -0.03 -0.04 3.06 1.80 2oa6A1 PHE 87 HD2 -0.04 -0.04 0.02 -0.04 7.28 7.18 2oa6A1 PHE 87 HE2 -0.06 0.00 -0.02 -0.04 7.38 7.26 2oa6A1 PHE 87 HZ -0.25 0.01 -0.03 -0.04 7.32 7.02 2oa6A1 LEU 88 H -0.42 0.69 -0.10 -0.55 8.37 7.99 2oa6A1 LEU 88 HA -0.19 -0.01 0.42 -0.75 4.35 3.81 2oa6A1 LEU 88 HB2 -0.85 0.09 0.18 -0.04 1.64 1.01 2oa6A1 LEU 88 HB3 -1.09 -0.07 -0.03 -0.04 1.64 0.41 2oa6A1 LEU 88 HG -0.57 0.08 0.06 -0.04 1.64 1.17 2oa6A1 LEU 88 HD13 -1.78 -0.03 -0.08 -0.04 0.93 -0.99 2oa6A1 LEU 88 HD23 -0.28 -0.02 -0.00 -0.04 0.89 0.54 2oa6A1 ILE 89 H -0.06 0.62 -0.28 -0.55 8.25 7.99 2oa6A1 ILE 89 HA 0.17 -0.03 0.44 -0.75 4.18 4.01 2oa6A1 ILE 89 HB 0.15 0.15 0.20 -0.04 1.89 2.35 2oa6A1 ILE 89 HG12 0.47 -0.11 0.01 -0.04 1.49 1.81 2oa6A1 ILE 89 HG13 0.19 0.28 0.09 -0.04 1.21 1.73 2oa6A1 ILE 89 HG23 0.18 -0.02 -0.11 -0.04 0.93 0.94 2oa6A1 ILE 89 HD13 0.33 -0.03 -0.06 -0.04 0.88 1.08 2oa6A1 ASP 90 H 0.11 0.73 0.02 -0.55 8.40 8.72 2oa6A1 ASP 90 HA 0.09 0.02 0.39 -0.75 4.63 4.38 2oa6A1 ASP 90 HB2 0.27 0.04 0.13 -0.04 2.71 3.12 2oa6A1 ASP 90 HB3 0.21 0.01 0.20 -0.04 2.70 3.09 2oa6A1 ASP 91 H 0.08 0.63 -0.01 -0.55 8.40 8.55 2oa6A1 ASP 91 HA 0.09 -0.01 0.35 -0.75 4.63 4.31 2oa6A1 ASP 91 HB2 0.12 0.12 0.14 -0.04 2.71 3.05 2oa6A1 ASP 91 HB3 0.20 -0.07 0.02 -0.04 2.70 2.81 2oa6A1 LEU 92 H 0.11 0.38 -0.51 -0.55 8.37 7.82 2oa6A1 LEU 92 HA 0.22 -0.05 0.42 -0.75 4.35 4.19 2oa6A1 LEU 92 HB2 0.18 0.24 0.22 -0.04 1.64 2.23 2oa6A1 LEU 92 HB3 -0.03 0.05 0.10 -0.04 1.64 1.72 2oa6A1 LEU 92 HG 0.19 -0.03 0.02 -0.04 1.64 1.77 2oa6A1 LEU 92 HD13 -0.00 -0.03 -0.04 -0.04 0.93 0.82 2oa6A1 LEU 92 HD23 0.01 -0.02 -0.00 -0.04 0.89 0.84 2oa6A1 LEU 93 H 0.02 0.77 0.07 -0.55 8.37 8.68 2oa6A1 LEU 93 HA -0.08 -0.09 0.37 -0.75 4.35 3.79 2oa6A1 LEU 93 HB2 0.02 0.17 0.14 -0.04 1.64 1.93 2oa6A1 LEU 93 HB3 0.01 -0.04 0.06 -0.04 1.64 1.63 2oa6A1 LEU 93 HG -0.05 0.17 0.04 -0.04 1.64 1.76 2oa6A1 LEU 93 HD13 0.04 -0.01 -0.09 -0.04 0.93 0.83 2oa6A1 LEU 93 HD23 -0.11 -0.06 0.02 -0.04 0.89 0.70 2oa6A1 GLU 94 H 0.01 0.35 -0.51 -0.55 8.60 7.91 2oa6A1 GLU 94 HA -0.10 0.02 0.40 -0.75 4.29 3.86 2oa6A1 GLU 94 HB2 -0.09 0.11 0.16 -0.04 2.09 2.23 2oa6A1 GLU 94 HB3 -0.57 -0.02 0.10 -0.04 1.99 1.45 2oa6A1 GLU 94 HG2 -0.34 -0.06 -0.01 -0.04 2.34 1.89 2oa6A1 GLU 94 HG3 -0.14 -0.02 0.08 -0.04 2.34 2.23 2oa6A1 TYR 95 H 0.10 0.34 -0.14 -0.55 8.29 8.04 2oa6A1 TYR 95 HA -0.04 0.05 0.52 -0.75 4.56 4.34 2oa6A1 TYR 95 HB2 -0.02 0.08 0.13 -0.04 3.06 3.21 2oa6A1 TYR 95 HB3 -0.02 -0.10 0.21 -0.04 2.98 3.03 2oa6A1 TYR 95 HD2 0.01 0.08 0.10 -0.04 7.15 7.30 2oa6A1 TYR 95 HE2 0.03 -0.00 0.00 -0.04 6.85 6.85 2oa6A1 MET 96 H -0.07 0.67 -0.78 -0.55 8.47 7.74 2oa6A1 MET 96 HA -0.03 0.05 0.96 -0.75 4.52 4.74 2oa6A1 MET 96 HB2 -0.07 0.16 0.11 -0.04 2.15 2.30 2oa6A1 MET 96 HB3 -0.05 -0.18 0.04 -0.04 2.03 1.80 2oa6A1 MET 96 HG2 -0.03 -0.04 -0.06 -0.04 2.63 2.45 2oa6A1 MET 96 HG3 -0.03 0.17 -0.33 -0.04 2.56 2.33 2oa6A1 MET 96 HE3 0.01 -0.03 -0.21 -0.04 2.10 1.83 2oa6A1 SER 97 H -0.07 0.03 0.18 -0.55 8.46 8.05 2oa6A1 SER 97 HA -0.31 0.21 0.55 -0.75 4.49 4.18 2oa6A1 SER 97 HB2 -0.08 -0.02 0.20 -0.04 3.95 4.01 2oa6A1 SER 97 HB3 -0.07 0.11 0.17 -0.04 3.93 4.09 2oa6A1 PHE 98 H -0.24 0.15 0.22 -0.55 8.34 7.92 2oa6A1 PHE 98 HA 0.00 0.24 0.49 -0.75 4.62 4.60 2oa6A1 PHE 98 HB2 0.01 -0.11 0.16 -0.04 3.15 3.17 2oa6A1 PHE 98 HB3 0.01 0.12 0.09 -0.04 3.06 3.23 2oa6A1 PHE 98 HD2 0.00 -0.01 0.08 -0.04 7.28 7.31 2oa6A1 PHE 98 HE2 0.00 0.03 0.02 -0.04 7.38 7.39 2oa6A1 PHE 98 HZ 0.00 0.01 0.02 -0.04 7.32 7.31 2oa6A1 GLU 99 H 0.10 0.06 -0.06 -0.55 8.60 8.15 2oa6A1 GLU 99 HA 0.08 0.14 0.46 -0.75 4.29 4.22 2oa6A1 GLU 99 HB2 0.04 -0.03 0.06 -0.04 2.09 2.12 2oa6A1 GLU 99 HB3 0.04 0.05 0.04 -0.04 1.99 2.08 2oa6A1 GLU 99 HG2 0.04 0.04 0.04 -0.04 2.34 2.42 2oa6A1 GLU 99 HG3 0.06 0.06 0.03 -0.04 2.34 2.45 2oa6A1 GLU 100 H 0.03 0.02 -0.32 -0.55 8.60 7.78 2oa6A1 GLU 100 HA 0.05 0.06 0.39 -0.75 4.29 4.04 2oa6A1 GLU 100 HB2 0.01 -0.11 0.13 -0.04 2.09 2.07 2oa6A1 GLU 100 HB3 0.00 0.14 0.08 -0.04 1.99 2.18 2oa6A1 GLU 100 HG2 0.06 0.01 -0.01 -0.04 2.34 2.36 2oa6A1 GLU 100 HG3 0.03 -0.02 0.04 -0.04 2.34 2.35 2oa6A1 GLY 101 H 0.03 0.75 -0.05 -0.55 8.43 8.62 2oa6A1 GLY 101 HA2 0.03 -0.00 0.36 -0.51 4.01 3.89 2oa6A1 GLY 101 HA3 0.05 0.21 0.28 -0.51 4.01 4.04 2oa6A1 SER 102 H 0.10 0.43 -0.37 -0.55 8.46 8.08 2oa6A1 SER 102 HA 0.07 0.06 0.38 -0.75 4.49 4.25 2oa6A1 SER 102 HB2 0.07 0.10 0.10 -0.04 3.95 4.17 2oa6A1 SER 102 HB3 0.06 0.05 0.14 -0.04 3.93 4.15 2oa6A1 ALA 103 H 0.07 0.45 -0.12 -0.55 8.40 8.26 2oa6A1 ALA 103 HA 0.02 0.02 0.46 -0.75 4.34 4.09 2oa6A1 ALA 103 HB3 0.04 0.01 0.10 -0.04 1.41 1.52 2oa6A1 TYR 104 H 0.19 0.45 -0.39 -0.55 8.29 7.99 2oa6A1 TYR 104 HA 0.02 -0.01 0.44 -0.75 4.56 4.24 2oa6A1 TYR 104 HB2 0.03 0.03 0.05 -0.04 3.06 3.13 2oa6A1 TYR 104 HB3 0.04 0.20 0.22 -0.04 2.98 3.40 2oa6A1 TYR 104 HD2 0.04 0.03 -0.15 -0.04 7.15 7.03 2oa6A1 TYR 104 HE2 0.07 -0.02 -0.05 -0.04 6.85 6.81 2oa6A1 ASN 105 H 0.24 0.70 0.06 -0.55 8.53 8.98 2oa6A1 ASN 105 HA 0.14 -0.01 0.41 -0.75 4.76 4.55 2oa6A1 ASN 105 HB2 0.12 0.15 0.09 -0.04 2.88 3.20 2oa6A1 ASN 105 HB3 0.08 -0.07 -0.10 -0.04 2.79 2.66 2oa6A1 ASN 105 HD21 0.11 -0.05 0.00 -0.04 7.03 7.04 2oa6A1 ASN 105 HD22 0.07 0.37 0.07 -0.04 7.74 8.20 2oa6A1 GLU 106 H 0.03 0.46 -0.44 -0.55 8.60 8.12 2oa6A1 GLU 106 HA -0.08 0.01 0.44 -0.75 4.29 3.91 2oa6A1 GLU 106 HB2 -0.01 0.29 0.14 -0.04 2.09 2.47 2oa6A1 GLU 106 HB3 -0.02 0.01 0.07 -0.04 1.99 2.01 2oa6A1 GLU 106 HG2 -0.03 -0.03 -0.01 -0.04 2.34 2.22 2oa6A1 GLU 106 HG3 -0.06 -0.04 0.01 -0.04 2.34 2.20 2oa6A1 LYS 107 H -0.06 0.49 -0.30 -0.55 8.42 8.00 2oa6A1 LYS 107 HA -0.07 0.04 0.52 -0.75 4.32 4.05 2oa6A1 LYS 107 HB2 -0.07 0.07 0.15 -0.04 1.87 1.98 2oa6A1 LYS 107 HB3 -0.13 0.11 0.13 -0.04 1.79 1.85 2oa6A1 LYS 107 HG2 -0.08 -0.05 -0.06 -0.04 1.46 1.22 2oa6A1 LYS 107 HG3 -0.06 -0.03 0.10 -0.04 1.46 1.43 2oa6A1 LYS 107 HD2 -0.05 -0.00 0.02 -0.04 1.69 1.62 2oa6A1 LYS 107 HD3 -0.08 0.02 0.02 -0.04 1.68 1.59 2oa6A1 LYS 107 HE2 -0.05 -0.02 0.01 -0.04 2.99 2.89 2oa6A1 LYS 107 HE3 -0.06 -0.05 0.00 -0.04 2.99 2.84 2oa6A1 LEU 108 H -0.09 0.32 -0.37 -0.55 8.37 7.69 2oa6A1 LEU 108 HA -0.04 0.03 0.43 -0.75 4.35 4.01 2oa6A1 LEU 108 HB2 0.00 0.20 0.06 -0.04 1.64 1.87 2oa6A1 LEU 108 HB3 0.06 -0.06 0.04 -0.04 1.64 1.64 2oa6A1 LEU 108 HG -0.21 0.22 0.02 -0.04 1.64 1.63 2oa6A1 LEU 108 HD13 0.07 -0.02 -0.07 -0.04 0.93 0.87 2oa6A1 LEU 108 HD23 -0.07 -0.03 -0.14 -0.04 0.89 0.61 2oa6A1 ILE 109 H -0.18 0.35 -0.42 -0.55 8.25 7.45 2oa6A1 ILE 109 HA -0.57 0.05 0.52 -0.75 4.18 3.42 2oa6A1 ILE 109 HB -0.36 0.21 0.13 -0.04 1.89 1.82 2oa6A1 ILE 109 HG12 -1.03 -0.08 -0.01 -0.04 1.49 0.33 2oa6A1 ILE 109 HG13 -0.28 0.11 -0.02 -0.04 1.21 0.97 2oa6A1 ILE 109 HG23 -1.13 -0.02 -0.12 -0.04 0.93 -0.39 2oa6A1 ILE 109 HD13 -0.22 -0.01 -0.04 -0.04 0.88 0.57 2oa6A1 PRO 110 HA -0.11 0.04 0.44 -0.51 4.44 4.30 2oa6A1 PRO 110 HB2 -0.06 0.08 -0.02 -0.04 2.28 2.25 2oa6A1 PRO 110 HB3 -0.06 0.00 -0.00 -0.04 2.02 1.92 2oa6A1 PRO 110 HG2 -0.09 0.06 0.06 -0.04 2.03 2.02 2oa6A1 PRO 110 HG3 -0.12 -0.00 0.03 -0.04 2.03 1.89 2oa6A1 PRO 110 HD2 -0.12 0.33 -0.02 -0.04 3.68 3.83 2oa6A1 PRO 110 HD3 -0.20 0.20 0.14 -0.04 3.65 3.75 2oa6A1 ILE 111 H -0.05 0.29 -0.42 -0.55 8.25 7.52 2oa6A1 ILE 111 HA 0.12 0.24 0.41 -0.75 4.18 4.20 2oa6A1 ILE 111 HB 0.04 0.04 0.04 -0.04 1.89 1.97 2oa6A1 ILE 111 HG12 0.01 0.12 -0.20 -0.04 1.49 1.38 2oa6A1 ILE 111 HG13 -0.02 0.07 0.02 -0.04 1.21 1.23 2oa6A1 ILE 111 HG23 0.22 0.00 -0.13 -0.04 0.93 0.98 2oa6A1 ILE 111 HD13 -0.02 -0.05 -0.07 -0.04 0.88 0.69 2oa6A1 SER 112 H -0.06 0.43 -0.28 -0.55 8.46 7.99 2oa6A1 SER 112 HA -0.08 0.04 0.36 -0.75 4.49 4.07 2oa6A1 SER 112 HB2 -0.09 0.07 0.15 -0.04 3.95 4.03 2oa6A1 SER 112 HB3 -1.27 -0.08 0.01 -0.04 3.93 2.55 2oa6A1 ARG 113 H -0.10 0.42 -0.26 -0.55 8.46 7.96 2oa6A1 ARG 113 HA -0.17 0.04 0.45 -0.75 4.34 3.91 2oa6A1 ARG 113 HB2 -0.05 0.05 0.16 -0.04 1.90 2.03 2oa6A1 ARG 113 HB3 -0.03 -0.05 0.06 -0.04 1.80 1.73 2oa6A1 ARG 113 HG2 0.07 -0.04 0.02 -0.04 1.67 1.67 2oa6A1 ARG 113 HG3 0.01 0.18 0.01 -0.04 1.67 1.83 2oa6A1 ARG 113 HD2 -0.05 -0.03 -0.02 -0.04 3.22 3.09 2oa6A1 ARG 113 HD3 0.00 -0.03 -0.01 -0.04 3.22 3.15 2oa6A1 GLY 114 H 0.02 0.31 -0.58 -0.55 8.43 7.63 2oa6A1 GLY 114 HA2 0.11 0.10 0.25 -0.51 4.01 3.96 2oa6A1 GLY 114 HA3 -0.01 0.09 0.56 -0.51 4.01 4.14 2oa6A1 ASP 115 H 0.02 0.23 -0.23 -0.55 8.40 7.87 2oa6A1 ASP 115 HA 0.04 0.10 0.47 -0.75 4.63 4.48 2oa6A1 ASP 115 HB2 -0.01 -0.00 0.01 -0.04 2.71 2.67 2oa6A1 ASP 115 HB3 -0.00 -0.05 0.05 -0.04 2.70 2.66 2oa6A1 VAL 116 H 0.09 0.26 -0.34 -0.55 8.24 7.71 2oa6A1 VAL 116 HA 0.00 0.13 0.81 -0.75 4.13 4.32 2oa6A1 VAL 116 HB -0.00 -0.11 -0.27 -0.04 2.12 1.70 2oa6A1 VAL 116 HG13 -0.03 0.03 -0.18 -0.04 0.97 0.75 2oa6A1 VAL 116 HG23 -0.02 -0.01 -0.24 -0.04 0.95 0.64 2oa6A1 LEU 117 H -0.06 0.08 0.04 -0.55 8.37 7.90 2oa6A1 LEU 117 HA -0.49 0.14 0.40 -0.75 4.35 3.64 2oa6A1 LEU 117 HB2 -0.11 -0.06 0.03 -0.04 1.64 1.46 2oa6A1 LEU 117 HB3 -0.21 0.08 0.04 -0.04 1.64 1.51 2oa6A1 LEU 117 HG -0.06 -0.01 -0.00 -0.04 1.64 1.53 2oa6A1 LEU 117 HD13 -0.05 -0.01 -0.00 -0.04 0.93 0.82 2oa6A1 LEU 117 HD23 -0.14 0.01 -0.03 -0.04 0.89 0.70 2oa6A1 PRO 118 HA -0.06 0.13 0.61 -0.51 4.44 4.61 2oa6A1 PRO 118 HB2 0.06 -0.06 -0.44 -0.04 2.28 1.81 2oa6A1 PRO 118 HB3 0.03 0.19 -0.21 -0.04 2.02 1.99 2oa6A1 PRO 118 HG2 -0.13 -0.05 -0.06 -0.04 2.03 1.75 2oa6A1 PRO 118 HG3 -0.11 0.05 -0.00 -0.04 2.03 1.93 2oa6A1 PRO 118 HD2 -0.65 0.06 0.19 -0.04 3.68 3.23 2oa6A1 PRO 118 HD3 -1.39 0.24 0.16 -0.04 3.65 2.62 2oa6A1 ASP 119 H -0.02 0.17 0.10 -0.55 8.40 8.10 2oa6A1 ASP 119 HA -0.03 0.15 0.64 -0.75 4.63 4.64 2oa6A1 ASP 119 HB2 -0.03 0.10 0.11 -0.04 2.71 2.86 2oa6A1 ASP 119 HB3 -0.01 -0.02 0.25 -0.04 2.70 2.88 2oa6A1 ARG 120 H -0.03 0.28 0.07 -0.55 8.46 8.23 2oa6A1 ARG 120 HA 0.12 0.04 0.14 -0.75 4.34 3.88 2oa6A1 ARG 120 HB2 -0.08 0.01 -0.00 -0.04 1.90 1.78 2oa6A1 ARG 120 HB3 -0.24 0.03 0.11 -0.04 1.80 1.66 2oa6A1 ARG 120 HG2 -0.07 0.04 0.10 -0.04 1.67 1.70 2oa6A1 ARG 120 HG3 -0.09 0.00 0.03 -0.04 1.67 1.57 2oa6A1 ARG 120 HD2 -0.08 0.03 -0.07 -0.04 3.22 3.06 2oa6A1 ARG 120 HD3 -0.09 0.01 0.01 -0.04 3.22 3.11 2oa6A1 SER 121 H 0.04 -0.03 -0.92 -0.55 8.46 7.00 2oa6A1 SER 121 HA 0.06 0.24 0.82 -0.75 4.49 4.86 2oa6A1 SER 121 HB2 0.00 0.03 0.07 -0.04 3.95 4.02 2oa6A1 SER 121 HB3 0.00 -0.02 -0.04 -0.04 3.93 3.83 2oa6A1 ILE 122 H 0.07 0.56 0.05 -0.55 8.25 8.37 2oa6A1 ILE 122 HA -0.06 0.23 0.82 -0.75 4.18 4.41 2oa6A1 ILE 122 HB -0.03 -0.02 0.26 -0.04 1.89 2.06 2oa6A1 ILE 122 HG12 -0.04 0.09 -0.03 -0.04 1.49 1.47 2oa6A1 ILE 122 HG13 -0.02 -0.10 -0.11 -0.04 1.21 0.94 2oa6A1 ILE 122 HG23 -0.09 -0.05 -0.01 -0.04 0.93 0.74 2oa6A1 ILE 122 HD13 -0.04 -0.00 0.03 -0.04 0.88 0.84 2oa6A1 PRO 123 HA -1.16 0.03 0.27 -0.51 4.44 3.07 2oa6A1 PRO 123 HB2 -0.49 -0.11 0.04 -0.04 2.28 1.68 2oa6A1 PRO 123 HB3 -0.38 0.15 -0.09 -0.04 2.02 1.66 2oa6A1 PRO 123 HG2 -0.23 0.11 0.06 -0.04 2.03 1.94 2oa6A1 PRO 123 HG3 -0.04 0.09 -0.00 -0.04 2.03 2.04 2oa6A1 PRO 123 HD2 -0.25 0.02 0.20 -0.04 3.68 3.61 2oa6A1 PRO 123 HD3 -0.08 0.49 0.20 -0.04 3.65 4.22 2oa6A1 VAL 124 H -0.27 0.17 -0.14 -0.55 8.24 7.45 2oa6A1 VAL 124 HA 0.24 0.06 0.33 -0.75 4.13 4.01 2oa6A1 VAL 124 HB 0.08 0.03 0.07 -0.04 2.12 2.26 2oa6A1 VAL 124 HG13 -0.11 0.01 -0.05 -0.04 0.97 0.78 2oa6A1 VAL 124 HG23 0.33 0.02 -0.05 -0.04 0.95 1.21 2oa6A1 GLU 125 H -0.08 0.16 -0.29 -0.55 8.60 7.85 2oa6A1 GLU 125 HA 0.04 0.07 0.34 -0.75 4.29 3.99 2oa6A1 GLU 125 HB2 0.00 0.25 0.18 -0.04 2.09 2.49 2oa6A1 GLU 125 HB3 0.02 -0.08 0.03 -0.04 1.99 1.91 2oa6A1 GLU 125 HG2 -0.07 0.04 -0.01 -0.04 2.34 2.26 2oa6A1 GLU 125 HG3 -0.09 -0.03 0.05 -0.04 2.34 2.23 2oa6A1 TYR 126 H 0.00 0.39 -0.11 -0.55 8.29 8.02 2oa6A1 TYR 126 HA 0.11 0.07 0.47 -0.75 4.56 4.45 2oa6A1 TYR 126 HB2 0.03 -0.01 0.01 -0.04 3.06 3.05 2oa6A1 TYR 126 HB3 -0.01 -0.04 -0.14 -0.04 2.98 2.76 2oa6A1 TYR 126 HD2 -0.03 -0.06 -0.40 -0.04 7.15 6.61 2oa6A1 TYR 126 HE2 -0.32 0.03 -0.16 -0.04 6.85 6.35 2oa6A1 ILE 127 H -0.22 0.69 -0.18 -0.55 8.25 7.99 2oa6A1 ILE 127 HA 0.18 0.01 0.39 -0.75 4.18 4.00 2oa6A1 ILE 127 HB 0.12 0.10 0.08 -0.04 1.89 2.15 2oa6A1 ILE 127 HG12 -0.04 -0.04 -0.07 -0.04 1.49 1.29 2oa6A1 ILE 127 HG13 -0.65 0.02 -0.01 -0.04 1.21 0.53 2oa6A1 ILE 127 HG23 0.17 -0.02 -0.14 -0.04 0.93 0.90 2oa6A1 ILE 127 HD13 0.11 -0.03 -0.30 -0.04 0.88 0.61 2oa6A1 ILE 128 H 0.16 0.65 -0.11 -0.55 8.25 8.39 2oa6A1 ILE 128 HA 0.26 -0.02 0.37 -0.75 4.18 4.04 2oa6A1 ILE 128 HB 0.19 0.10 0.16 -0.04 1.89 2.30 2oa6A1 ILE 128 HG12 0.22 0.16 0.11 -0.04 1.49 1.94 2oa6A1 ILE 128 HG13 0.18 -0.07 -0.02 -0.04 1.21 1.26 2oa6A1 ILE 128 HG23 0.34 0.01 -0.17 -0.04 0.93 1.06 2oa6A1 ILE 128 HD13 0.28 -0.02 -0.03 -0.04 0.88 1.07 2oa6A1 TYR 129 H 0.31 0.62 -0.11 -0.55 8.29 8.56 2oa6A1 TYR 129 HA 0.18 0.17 0.30 -0.75 4.56 4.45 2oa6A1 TYR 129 HB2 0.10 0.05 0.12 -0.04 3.06 3.29 2oa6A1 TYR 129 HB3 0.14 -0.04 0.16 -0.04 2.98 3.19 2oa6A1 TYR 129 HD2 0.07 0.10 -0.02 -0.04 7.15 7.26 2oa6A1 TYR 129 HE2 0.04 -0.01 -0.09 -0.04 6.85 6.75 2oa6A1 ASP 130 H 0.31 0.73 -0.12 -0.55 8.40 8.78 2oa6A1 ASP 130 HA 0.10 -0.02 0.42 -0.75 4.63 4.38 2oa6A1 ASP 130 HB2 0.21 0.12 0.15 -0.04 2.71 3.15 2oa6A1 ASP 130 HB3 0.14 -0.08 -0.03 -0.04 2.70 2.68 2oa6A1 LEU 131 H 0.11 0.67 -0.20 -0.55 8.37 8.40 2oa6A1 LEU 131 HA -0.03 -0.05 0.41 -0.75 4.35 3.93 2oa6A1 LEU 131 HB2 -0.03 0.02 0.10 -0.04 1.64 1.70 2oa6A1 LEU 131 HB3 -0.03 0.14 0.20 -0.04 1.64 1.91 2oa6A1 LEU 131 HG -0.58 -0.00 -0.23 -0.04 1.64 0.79 2oa6A1 LEU 131 HD13 -0.09 -0.02 0.03 -0.04 0.93 0.81 2oa6A1 LEU 131 HD23 -0.11 -0.02 -0.16 -0.04 0.89 0.56 2oa6A1 TRP 132 H 0.18 0.65 -0.06 -0.55 7.97 8.20 2oa6A1 TRP 132 HA -0.15 -0.06 0.42 -0.75 4.62 4.08 2oa6A1 TRP 132 HB2 -0.09 0.16 0.21 -0.04 3.23 3.47 2oa6A1 TRP 132 HB3 -0.11 0.08 0.05 -0.04 3.23 3.21 2oa6A1 TRP 132 HD1 0.03 0.17 0.07 -0.04 7.22 7.45 2oa6A1 TRP 132 HE1 0.03 -0.05 -0.01 -0.04 10.20 10.14 2oa6A1 TRP 132 HE3 -0.17 -0.05 -0.01 -0.04 7.59 7.32 2oa6A1 TRP 132 HZ2 -0.18 -0.04 -0.03 -0.04 7.44 7.16 2oa6A1 TRP 132 HZ3 -0.28 0.20 -0.06 -0.04 7.13 6.95 2oa6A1 TRP 132 HH2 -0.33 0.03 -0.32 -0.04 7.19 6.53 2oa6A1 GLU 133 H -0.03 0.61 -0.10 -0.55 8.60 8.54 2oa6A1 GLU 133 HA -0.04 0.01 0.42 -0.75 4.29 3.92 2oa6A1 GLU 133 HB2 -0.09 0.07 0.17 -0.04 2.09 2.21 2oa6A1 GLU 133 HB3 -0.05 -0.09 0.02 -0.04 1.99 1.83 2oa6A1 GLU 133 HG2 -0.63 0.18 0.09 -0.04 2.34 1.94 2oa6A1 GLU 133 HG3 -0.69 -0.07 -0.02 -0.04 2.34 1.52 2oa6A1 SER 134 H 0.01 0.63 -0.24 -0.55 8.46 8.32 2oa6A1 SER 134 HA 0.10 -0.02 0.36 -0.75 4.49 4.17 2oa6A1 SER 134 HB2 0.29 -0.10 0.06 -0.04 3.95 4.15 2oa6A1 SER 134 HB3 0.12 0.12 0.13 -0.04 3.93 4.26 2oa6A1 MET 135 H -0.19 0.48 -0.18 -0.55 8.47 8.03 2oa6A1 MET 135 HA -0.91 -0.01 0.46 -0.75 4.52 3.31 2oa6A1 MET 135 HB2 -0.42 0.16 0.17 -0.04 2.15 2.03 2oa6A1 MET 135 HB3 -0.62 -0.08 0.01 -0.04 2.03 1.29 2oa6A1 MET 135 HG2 -1.19 -0.10 0.01 -0.04 2.63 1.31 2oa6A1 MET 135 HG3 -0.58 0.29 0.04 -0.04 2.56 2.26 2oa6A1 MET 135 HE3 -1.48 -0.02 -0.06 -0.04 2.10 0.50 2oa6A1 ARG 136 H -0.02 0.69 -0.07 -0.55 8.46 8.50 2oa6A1 ARG 136 HA 0.04 -0.03 0.28 -0.75 4.34 3.86 2oa6A1 ARG 136 HB2 0.03 0.17 0.13 -0.04 1.90 2.19 2oa6A1 ARG 136 HB3 0.03 -0.08 -0.00 -0.04 1.80 1.70 2oa6A1 ARG 136 HG2 0.07 -0.10 0.03 -0.04 1.67 1.62 2oa6A1 ARG 136 HG3 0.14 0.11 -0.00 -0.04 1.67 1.87 2oa6A1 ARG 136 HD2 0.02 -0.07 -0.00 -0.04 3.22 3.12 2oa6A1 ARG 136 HD3 0.03 -0.01 -0.02 -0.04 3.22 3.18 2oa6A1 ALA 137 H 0.02 0.49 -0.30 -0.55 8.40 8.06 2oa6A1 ALA 137 HA 0.03 -0.02 0.38 -0.75 4.34 3.99 2oa6A1 ALA 137 HB3 0.07 0.02 0.07 -0.04 1.41 1.53 2oa6A1 HIS 138 H 0.09 0.31 -0.44 -0.55 8.41 7.83 2oa6A1 HIS 138 HA 0.06 0.06 0.69 -0.75 4.63 4.68 2oa6A1 HIS 138 HB2 0.22 0.06 0.12 -0.04 3.26 3.61 2oa6A1 HIS 138 HB3 -0.10 0.06 0.17 -0.04 3.20 3.28 2oa6A1 HIS 138 HD2 0.30 -0.02 0.05 -0.04 6.97 7.25 2oa6A1 HIS 138 HE1 -0.03 -0.06 -0.06 -0.04 7.75 7.56 2oa6A1 ASP 139 H 0.10 0.60 -0.06 -0.55 8.40 8.49 2oa6A1 ASP 139 HA 0.03 0.10 0.65 -0.75 4.63 4.65 2oa6A1 ASP 139 HB2 0.09 0.11 -0.16 -0.04 2.71 2.71 2oa6A1 ASP 139 HB3 -0.01 -0.02 0.14 -0.04 2.70 2.77 2oa6A1 ARG 140 H 0.03 0.25 0.07 -0.55 8.46 8.26 2oa6A1 ARG 140 HA 0.04 0.05 0.52 -0.75 4.34 4.20 2oa6A1 ARG 140 HB2 0.02 0.20 0.16 -0.04 1.90 2.24 2oa6A1 ARG 140 HB3 0.01 -0.09 0.18 -0.04 1.80 1.86 2oa6A1 ARG 140 HG2 0.01 0.01 -0.01 -0.04 1.67 1.64 2oa6A1 ARG 140 HG3 0.01 -0.04 -0.27 -0.04 1.67 1.34 2oa6A1 ARG 140 HD2 0.02 -0.06 0.03 -0.04 3.22 3.16 2oa6A1 ARG 140 HD3 0.02 0.06 0.04 -0.04 3.22 3.30 2oa6A1 GLU 141 H 0.02 0.12 -0.04 -0.55 8.60 8.15 2oa6A1 GLU 141 HA 0.01 0.08 0.39 -0.75 4.29 4.02 2oa6A1 GLU 141 HB2 0.00 0.02 0.10 -0.04 2.09 2.17 2oa6A1 GLU 141 HB3 0.00 -0.03 0.09 -0.04 1.99 2.01 2oa6A1 GLU 141 HG2 0.00 0.03 -0.37 -0.04 2.34 1.96 2oa6A1 GLU 141 HG3 -0.00 0.00 -0.02 -0.04 2.34 2.28 2oa6A1 MET 142 H 0.04 0.10 -0.25 -0.55 8.47 7.81 2oa6A1 MET 142 HA 0.07 0.07 0.43 -0.75 4.52 4.34 2oa6A1 MET 142 HB2 0.01 0.08 0.05 -0.04 2.15 2.25 2oa6A1 MET 142 HB3 0.14 0.01 -0.02 -0.04 2.03 2.12 2oa6A1 MET 142 HG2 -0.01 -0.03 -0.11 -0.04 2.63 2.44 2oa6A1 MET 142 HG3 -0.04 -0.03 -0.03 -0.04 2.56 2.42 2oa6A1 MET 142 HE3 -0.10 0.07 -0.04 -0.04 2.10 1.99 2oa6A1 ALA 143 H 0.16 0.62 -0.12 -0.55 8.40 8.51 2oa6A1 ALA 143 HA -0.10 0.02 0.40 -0.75 4.34 3.91 2oa6A1 ALA 143 HB3 0.07 0.04 -0.12 -0.04 1.41 1.37 2oa6A1 ASP 144 H 0.06 0.62 -0.05 -0.55 8.40 8.49 2oa6A1 ASP 144 HA -0.02 0.04 0.42 -0.75 4.63 4.32 2oa6A1 ASP 144 HB2 0.01 0.12 0.16 -0.04 2.71 2.96 2oa6A1 ASP 144 HB3 -0.02 -0.07 0.04 -0.04 2.70 2.61 2oa6A1 GLU 145 H 0.03 0.30 -0.47 -0.55 8.60 7.92 2oa6A1 GLU 145 HA -0.03 -0.01 0.37 -0.75 4.29 3.87 2oa6A1 GLU 145 HB2 0.01 0.11 0.14 -0.04 2.09 2.32 2oa6A1 GLU 145 HB3 0.03 0.16 0.06 -0.04 1.99 2.20 2oa6A1 GLU 145 HG2 -0.01 -0.03 0.01 -0.04 2.34 2.27 2oa6A1 GLU 145 HG3 -0.02 -0.03 0.05 -0.04 2.34 2.30 2oa6A1 ILE 146 H 0.01 0.45 -0.39 -0.55 8.25 7.77 2oa6A1 ILE 146 HA -0.05 0.17 0.93 -0.75 4.18 4.48 2oa6A1 ILE 146 HB -0.08 -0.10 0.10 -0.04 1.89 1.77 2oa6A1 ILE 146 HG12 -0.15 0.17 0.12 -0.04 1.49 1.59 2oa6A1 ILE 146 HG13 0.22 0.04 -0.17 -0.04 1.21 1.26 2oa6A1 ILE 146 HG23 -0.06 0.01 -0.15 -0.04 0.93 0.68 2oa6A1 ILE 146 HD13 -0.77 -0.04 -0.04 -0.04 0.88 -0.01 2oa6A1 LEU 147 H -0.13 0.46 -0.30 -0.55 8.37 7.85 2oa6A1 LEU 147 HA -0.84 0.06 0.41 -0.75 4.35 3.22 2oa6A1 LEU 147 HB2 -0.30 0.10 0.21 -0.04 1.64 1.62 2oa6A1 LEU 147 HB3 -0.70 -0.06 -0.01 -0.04 1.64 0.82 2oa6A1 LEU 147 HG -0.25 0.12 0.10 -0.04 1.64 1.57 2oa6A1 LEU 147 HD13 -0.15 0.00 0.07 -0.04 0.93 0.81 2oa6A1 LEU 147 HD23 -1.22 -0.00 -0.07 -0.04 0.89 -0.45 2oa6A1 GLU 148 H -0.23 0.23 -0.05 -0.55 8.60 8.00 2oa6A1 GLU 148 HA -0.13 0.02 0.38 -0.75 4.29 3.80 2oa6A1 GLU 148 HB2 -0.07 0.10 0.06 -0.04 2.09 2.14 2oa6A1 GLU 148 HB3 -0.01 -0.02 0.01 -0.04 1.99 1.92 2oa6A1 GLU 148 HG2 -0.07 0.04 0.06 -0.04 2.34 2.32 2oa6A1 GLU 148 HG3 -0.02 0.01 0.02 -0.04 2.34 2.32 2oa6A1 PRO 149 HA -0.01 0.04 0.41 -0.51 4.44 4.37 2oa6A1 PRO 149 HB2 -0.06 0.09 0.03 -0.04 2.28 2.30 2oa6A1 PRO 149 HB3 -0.03 0.02 0.01 -0.04 2.02 1.97 2oa6A1 PRO 149 HG2 -0.05 0.12 0.11 -0.04 2.03 2.17 2oa6A1 PRO 149 HG3 -0.04 -0.00 0.02 -0.04 2.03 1.97 2oa6A1 PRO 149 HD2 -0.12 -0.01 -0.61 -0.04 3.68 2.90 2oa6A1 PRO 149 HD3 -0.09 0.06 -0.00 -0.04 3.65 3.58 2oa6A1 VAL 150 H -0.14 0.54 -0.30 -0.55 8.24 7.79 2oa6A1 VAL 150 HA 0.06 0.00 0.48 -0.75 4.13 3.92 2oa6A1 VAL 150 HB -0.17 0.22 0.21 -0.04 2.12 2.33 2oa6A1 VAL 150 HG13 0.34 -0.03 -0.14 -0.04 0.97 1.11 2oa6A1 VAL 150 HG23 0.15 0.01 0.03 -0.04 0.95 1.10 2oa6A1 PHE 151 H -0.21 0.56 -0.02 -0.55 8.34 8.11 2oa6A1 PHE 151 HA 0.03 0.03 0.43 -0.75 4.62 4.35 2oa6A1 PHE 151 HB2 -0.03 0.04 0.12 -0.04 3.15 3.23 2oa6A1 PHE 151 HB3 -0.03 -0.04 0.00 -0.04 3.06 2.95 2oa6A1 PHE 151 HD2 -0.07 -0.06 -0.13 -0.04 7.28 6.98 2oa6A1 PHE 151 HE2 -0.28 -0.01 -0.06 -0.04 7.38 7.00 2oa6A1 PHE 151 HZ -0.51 0.02 -0.07 -0.04 7.32 6.72 2oa6A1 LEU 152 H 0.13 0.73 -0.11 -0.55 8.37 8.57 2oa6A1 LEU 152 HA 0.08 0.00 0.37 -0.75 4.35 4.05 2oa6A1 LEU 152 HB2 0.06 0.17 0.13 -0.04 1.64 1.96 2oa6A1 LEU 152 HB3 0.08 0.06 0.07 -0.04 1.64 1.81 2oa6A1 LEU 152 HG 0.04 -0.02 0.02 -0.04 1.64 1.63 2oa6A1 LEU 152 HD13 0.02 -0.01 -0.02 -0.04 0.93 0.88 2oa6A1 LEU 152 HD23 0.03 -0.02 -0.02 -0.04 0.89 0.84 2oa6A1 PHE 153 H 0.24 0.43 -0.35 -0.55 8.34 8.10 2oa6A1 PHE 153 HA 0.02 -0.03 0.39 -0.75 4.62 4.24 2oa6A1 PHE 153 HB2 -0.01 0.05 0.07 -0.04 3.15 3.22 2oa6A1 PHE 153 HB3 0.03 0.18 0.17 -0.04 3.06 3.40 2oa6A1 PHE 153 HD2 0.00 -0.02 -0.18 -0.04 7.28 7.05 2oa6A1 PHE 153 HE2 -0.03 -0.03 -0.05 -0.04 7.38 7.23 2oa6A1 PHE 153 HZ -0.06 0.02 -0.05 -0.04 7.32 7.19 2oa6A1 MET 154 H 0.26 0.60 -0.05 -0.55 8.47 8.74 2oa6A1 MET 154 HA 0.02 0.02 0.43 -0.75 4.52 4.23 2oa6A1 MET 154 HB2 0.18 0.06 0.13 -0.04 2.15 2.48 2oa6A1 MET 154 HB3 0.12 -0.05 -0.00 -0.04 2.03 2.06 2oa6A1 MET 154 HG2 0.26 -0.06 0.02 -0.04 2.63 2.81 2oa6A1 MET 154 HG3 0.34 0.23 0.06 -0.04 2.56 3.15 2oa6A1 MET 154 HE3 0.12 0.00 -0.04 -0.04 2.10 2.14 2oa6A1 ARG 155 H 0.06 0.60 -0.24 -0.55 8.46 8.33 2oa6A1 ARG 155 HA 0.01 0.05 0.48 -0.75 4.34 4.12 2oa6A1 ARG 155 HB2 0.03 0.15 0.10 -0.04 1.90 2.14 2oa6A1 ARG 155 HB3 0.00 -0.07 0.01 -0.04 1.80 1.70 2oa6A1 ARG 155 HG2 -0.00 -0.05 -0.00 -0.04 1.67 1.57 2oa6A1 ARG 155 HG3 0.01 -0.01 -0.04 -0.04 1.67 1.59 2oa6A1 ARG 155 HD2 0.05 0.05 -0.14 -0.04 3.22 3.13 2oa6A1 ARG 155 HD3 0.01 -0.04 -0.04 -0.04 3.22 3.10 2oa6A1 ALA 156 H -0.07 0.30 -0.39 -0.55 8.40 7.69 2oa6A1 ALA 156 HA -0.05 0.03 0.60 -0.75 4.34 4.16 2oa6A1 ALA 156 HB3 -0.10 0.03 0.13 -0.04 1.41 1.42 2oa6A1 GLN 157 H -0.24 0.36 -0.21 -0.55 8.47 7.83 2oa6A1 GLN 157 HA -0.19 0.01 0.34 -0.75 4.36 3.76 2oa6A1 GLN 157 HB2 -0.10 0.20 0.08 -0.04 2.15 2.28 2oa6A1 GLN 157 HB3 -0.07 -0.03 0.07 -0.04 2.02 1.95 2oa6A1 GLN 157 HG2 -0.51 -0.06 0.03 -0.04 2.40 1.81 2oa6A1 GLN 157 HG3 -0.87 0.23 0.04 -0.04 2.39 1.75 2oa6A1 GLN 157 HE21 0.19 0.08 0.01 -0.04 6.97 7.21 2oa6A1 GLN 157 HE22 0.10 -0.03 -0.01 -0.04 7.69 7.71 2oa6A1 THR 158 H -0.04 0.08 -0.86 -0.55 8.28 6.91 2oa6A1 THR 158 HA 0.10 0.28 1.08 -0.75 4.39 5.10 2oa6A1 THR 158 HB 0.12 -0.06 0.06 -0.04 4.32 4.40 2oa6A1 THR 158 HG23 0.07 0.01 -0.38 -0.04 1.22 0.88 2oa6A1 ASP 159 H -0.05 0.17 0.00 -0.55 8.40 7.97 2oa6A1 ASP 159 HA -0.11 0.03 0.63 -0.75 4.63 4.43 2oa6A1 ASP 159 HB2 -0.05 -0.10 0.17 -0.04 2.71 2.68 2oa6A1 ASP 159 HB3 -0.04 -0.01 0.13 -0.04 2.70 2.74 2oa6A1 ARG 160 H -0.13 0.01 0.12 -0.55 8.46 7.91 2oa6A1 ARG 160 HA -0.22 0.27 0.79 -0.75 4.34 4.42 2oa6A1 ARG 160 HB2 -0.13 0.00 0.08 -0.04 1.90 1.82 2oa6A1 ARG 160 HB3 -0.13 -0.28 0.21 -0.04 1.80 1.55 2oa6A1 ARG 160 HG2 -0.44 0.04 0.03 -0.04 1.67 1.26 2oa6A1 ARG 160 HG3 -0.48 0.06 -0.10 -0.04 1.67 1.11 2oa6A1 ARG 160 HD2 -0.12 -0.01 0.03 -0.04 3.22 3.08 2oa6A1 ARG 160 HD3 -0.11 -0.04 0.04 -0.04 3.22 3.07 2oa6A1 THR 161 H -0.07 -0.06 0.15 -0.55 8.28 7.75 2oa6A1 THR 161 HA -0.01 0.29 1.03 -0.75 4.39 4.94 2oa6A1 THR 161 HB -0.03 0.04 -0.04 -0.04 4.32 4.24 2oa6A1 THR 161 HG23 0.01 0.03 -0.16 -0.04 1.22 1.06 2oa6A1 ARG 162 H -0.04 -0.06 0.11 -0.55 8.46 7.91 2oa6A1 ARG 162 HA -0.02 -0.06 0.42 -0.75 4.34 3.92 2oa6A1 ARG 162 HB2 -0.03 -0.09 -0.15 -0.04 1.90 1.59 2oa6A1 ARG 162 HB3 -0.03 0.32 0.18 -0.04 1.80 2.22 2oa6A1 ARG 162 HG2 -0.02 -0.03 0.02 -0.04 1.67 1.60 2oa6A1 ARG 162 HG3 -0.02 -0.06 -0.01 -0.04 1.67 1.55 2oa6A1 ARG 162 HD2 -0.03 0.07 -0.26 -0.04 3.22 2.96 2oa6A1 ARG 162 HD3 -0.02 -0.01 -0.07 -0.04 3.22 3.09 2oa6A1 ALA 163 H -0.02 0.01 0.09 -0.55 8.40 7.94 2oa6A1 ALA 163 HA -0.03 0.11 0.38 -0.75 4.34 4.05 2oa6A1 ALA 163 HB3 -0.01 -0.01 0.05 -0.04 1.41 1.40 2oa6A1 ARG 164 H -0.02 0.29 0.17 -0.55 8.46 8.35 2oa6A1 ARG 164 HA -0.01 0.07 0.43 -0.75 4.34 4.08 2oa6A1 ARG 164 HB2 -0.02 -0.02 0.11 -0.04 1.90 1.94 2oa6A1 ARG 164 HB3 -0.03 0.15 -0.23 -0.04 1.80 1.66 2oa6A1 ARG 164 HG2 -0.06 0.00 -0.12 -0.04 1.67 1.45 2oa6A1 ARG 164 HG3 -0.03 0.11 -0.38 -0.04 1.67 1.33 2oa6A1 ARG 164 HD2 -0.02 -0.02 -0.03 -0.04 3.22 3.11 2oa6A1 ARG 164 HD3 -0.03 0.03 -0.06 -0.04 3.22 3.12 2oa6A1 PRO 165 HA 0.00 0.01 0.45 -0.51 4.44 4.39 2oa6A1 PRO 165 HB2 0.00 -0.00 0.08 -0.04 2.28 2.32 2oa6A1 PRO 165 HB3 0.00 0.03 0.07 -0.04 2.02 2.08 2oa6A1 PRO 165 HG2 0.00 0.04 0.08 -0.04 2.03 2.11 2oa6A1 PRO 165 HG3 -0.00 0.04 0.07 -0.04 2.03 2.10 2oa6A1 PRO 165 HD2 -0.00 0.11 0.18 -0.04 3.68 3.93 2oa6A1 PRO 165 HD3 -0.00 0.14 0.18 -0.04 3.65 3.93 2oa6A1 MET 166 H 0.01 0.17 0.19 -0.55 8.47 8.29 2oa6A1 MET 166 HA 0.02 0.06 0.79 -0.75 4.52 4.63 2oa6A1 MET 166 HB2 -0.00 0.18 -0.30 -0.04 2.15 1.99 2oa6A1 MET 166 HB3 0.03 -0.04 0.07 -0.04 2.03 2.05 2oa6A1 MET 166 HG2 0.12 -0.04 -0.19 -0.04 2.63 2.48 2oa6A1 MET 166 HG3 0.05 -0.14 -0.01 -0.04 2.56 2.42 2oa6A1 MET 166 HE3 -0.02 -0.00 -0.08 -0.04 2.10 1.96 2oa6A1 GLY 167 H 0.04 0.11 0.10 -0.55 8.43 8.13 2oa6A1 GLY 167 HA2 0.02 0.26 0.67 -0.51 4.01 4.45 2oa6A1 GLY 167 HA3 0.03 0.03 0.35 -0.51 4.01 3.92 2oa6A1 LEU 168 H 0.04 0.23 0.13 -0.55 8.37 8.22 2oa6A1 LEU 168 HA 0.10 0.08 0.36 -0.75 4.35 4.14 2oa6A1 LEU 168 HB2 0.04 0.05 0.15 -0.04 1.64 1.84 2oa6A1 LEU 168 HB3 0.07 0.02 0.05 -0.04 1.64 1.75 2oa6A1 LEU 168 HG 0.03 0.03 0.01 -0.04 1.64 1.66 2oa6A1 LEU 168 HD13 0.06 0.02 -0.05 -0.04 0.93 0.93 2oa6A1 LEU 168 HD23 0.13 -0.01 0.01 -0.04 0.89 0.98 2oa6A1 GLY 169 H 0.07 0.12 -0.07 -0.55 8.43 8.00 2oa6A1 GLY 169 HA2 0.11 0.10 0.33 -0.51 4.01 4.04 2oa6A1 GLY 169 HA3 0.07 0.09 0.25 -0.51 4.01 3.91 2oa6A1 GLY 170 H 0.08 0.01 -0.38 -0.55 8.43 7.59 2oa6A1 GLY 170 HA2 0.06 0.10 0.40 -0.51 4.01 4.06 2oa6A1 GLY 170 HA3 0.06 0.04 0.25 -0.51 4.01 3.85 2oa6A1 TYR 171 H 0.20 0.61 -0.10 -0.55 8.29 8.45 2oa6A1 TYR 171 HA 0.06 0.08 0.36 -0.75 4.56 4.31 2oa6A1 TYR 171 HB2 0.03 0.03 -0.04 -0.04 3.06 3.04 2oa6A1 TYR 171 HB3 0.06 0.05 0.08 -0.04 2.98 3.13 2oa6A1 TYR 171 HD2 0.06 0.05 -0.20 -0.04 7.15 7.01 2oa6A1 TYR 171 HE2 0.08 0.15 -0.19 -0.04 6.85 6.85 2oa6A1 LEU 172 H 0.21 0.60 -0.16 -0.55 8.37 8.48 2oa6A1 LEU 172 HA 0.02 0.03 0.41 -0.75 4.35 4.05 2oa6A1 LEU 172 HB2 0.15 0.06 0.07 -0.04 1.64 1.88 2oa6A1 LEU 172 HB3 0.08 -0.00 -0.02 -0.04 1.64 1.66 2oa6A1 LEU 172 HG 0.31 0.07 0.04 -0.04 1.64 2.01 2oa6A1 LEU 172 HD13 0.39 -0.02 -0.08 -0.04 0.93 1.19 2oa6A1 LEU 172 HD23 0.28 -0.01 -0.02 -0.04 0.89 1.10 2oa6A1 GLU 173 H 0.06 0.46 -0.22 -0.55 8.60 8.36 2oa6A1 GLU 173 HA -0.00 0.03 0.44 -0.75 4.29 4.00 2oa6A1 GLU 173 HB2 0.05 0.08 0.14 -0.04 2.09 2.31 2oa6A1 GLU 173 HB3 0.05 0.09 0.11 -0.04 1.99 2.20 2oa6A1 GLU 173 HG2 0.02 -0.03 0.05 -0.04 2.34 2.33 2oa6A1 GLU 173 HG3 0.03 -0.04 -0.01 -0.04 2.34 2.28 2oa6A1 TYR 174 H 0.08 0.41 -0.31 -0.55 8.29 7.92 2oa6A1 TYR 174 HA -0.07 0.05 0.41 -0.75 4.56 4.20 2oa6A1 TYR 174 HB2 -0.07 0.02 0.08 -0.04 3.06 3.04 2oa6A1 TYR 174 HB3 -0.23 0.17 0.16 -0.04 2.98 3.04 2oa6A1 TYR 174 HD2 -0.16 -0.00 -0.06 -0.04 7.15 6.89 2oa6A1 TYR 174 HE2 -0.03 0.01 -0.03 -0.04 6.85 6.76 2oa6A1 ARG 175 H -0.16 0.39 -0.17 -0.55 8.46 7.97 2oa6A1 ARG 175 HA -0.27 0.04 0.46 -0.75 4.34 3.82 2oa6A1 ARG 175 HB2 -0.17 0.07 0.10 -0.04 1.90 1.85 2oa6A1 ARG 175 HB3 -0.12 -0.01 0.03 -0.04 1.80 1.66 2oa6A1 ARG 175 HG2 -0.70 0.15 0.02 -0.04 1.67 1.10 2oa6A1 ARG 175 HG3 -0.22 -0.08 -0.02 -0.04 1.67 1.31 2oa6A1 ARG 175 HD2 -0.05 -0.03 0.05 -0.04 3.22 3.14 2oa6A1 ARG 175 HD3 -0.17 0.01 -0.06 -0.04 3.22 2.96 2oa6A1 GLU 176 H -0.11 0.35 -0.43 -0.55 8.60 7.86 2oa6A1 GLU 176 HA -0.12 0.04 0.43 -0.75 4.29 3.90 2oa6A1 GLU 176 HB2 -0.06 0.24 0.10 -0.04 2.09 2.33 2oa6A1 GLU 176 HB3 -0.06 -0.09 0.05 -0.04 1.99 1.84 2oa6A1 GLU 176 HG2 -0.14 0.09 0.04 -0.04 2.34 2.28 2oa6A1 GLU 176 HG3 -0.12 0.24 0.07 -0.04 2.34 2.50 2oa6A1 ARG 177 H -0.15 0.32 -0.61 -0.55 8.46 7.46 2oa6A1 ARG 177 HA -0.07 0.13 0.69 -0.75 4.34 4.33 2oa6A1 ARG 177 HB2 -0.14 0.14 0.05 -0.04 1.90 1.91 2oa6A1 ARG 177 HB3 -0.09 -0.07 0.12 -0.04 1.80 1.72 2oa6A1 ARG 177 HG2 -0.03 -0.04 -0.03 -0.04 1.67 1.52 2oa6A1 ARG 177 HG3 -0.05 -0.02 -0.22 -0.04 1.67 1.34 2oa6A1 ARG 177 HD2 -0.01 -0.07 -0.04 -0.04 3.22 3.07 2oa6A1 ARG 177 HD3 -0.01 0.12 -0.04 -0.04 3.22 3.26 2oa6A1 ASP 178 H -0.15 0.40 -0.43 -0.55 8.40 7.66 2oa6A1 ASP 178 HA -0.20 0.04 0.44 -0.75 4.63 4.16 2oa6A1 ASP 178 HB2 -0.14 0.12 0.23 -0.04 2.71 2.89 2oa6A1 ASP 178 HB3 -0.06 0.01 0.18 -0.04 2.70 2.78 2oa6A1 VAL 179 H -0.04 0.22 0.24 -0.55 8.24 8.10 2oa6A1 VAL 179 HA 0.01 0.11 0.40 -0.75 4.13 3.91 2oa6A1 VAL 179 HB 0.10 -0.02 -0.02 -0.04 2.12 2.15 2oa6A1 VAL 179 HG13 -0.01 0.04 0.05 -0.04 0.97 1.02 2oa6A1 VAL 179 HG23 0.10 0.02 -0.03 -0.04 0.95 1.00 2oa6A1 GLY 180 H 0.11 0.13 -0.19 -0.55 8.43 7.93 2oa6A1 GLY 180 HA2 0.10 0.11 0.46 -0.51 4.01 4.17 2oa6A1 GLY 180 HA3 0.18 0.11 0.26 -0.51 4.01 4.05 2oa6A1 LYS 181 H 0.01 0.20 -0.27 -0.55 8.42 7.81 2oa6A1 LYS 181 HA -0.01 0.07 0.45 -0.75 4.32 4.07 2oa6A1 LYS 181 HB2 -0.01 0.18 0.04 -0.04 1.87 2.04 2oa6A1 LYS 181 HB3 0.01 -0.00 0.04 -0.04 1.79 1.79 2oa6A1 LYS 181 HG2 0.01 -0.08 0.05 -0.04 1.46 1.39 2oa6A1 LYS 181 HG3 0.01 0.14 0.10 -0.04 1.46 1.66 2oa6A1 LYS 181 HD2 0.05 0.03 -0.04 -0.04 1.69 1.69 2oa6A1 LYS 181 HD3 0.01 -0.09 -0.24 -0.04 1.68 1.32 2oa6A1 LYS 181 HE2 0.09 -0.01 -0.15 -0.04 2.99 2.88 2oa6A1 LYS 181 HE3 0.10 0.04 -0.12 -0.04 2.99 2.97 2oa6A1 GLU 182 H -0.00 0.32 -0.30 -0.55 8.60 8.07 2oa6A1 GLU 182 HA 0.01 0.05 0.40 -0.75 4.29 3.99 2oa6A1 GLU 182 HB2 0.00 0.05 0.12 -0.04 2.09 2.23 2oa6A1 GLU 182 HB3 -0.00 -0.04 -0.05 -0.04 1.99 1.85 2oa6A1 GLU 182 HG2 0.00 -0.05 -0.01 -0.04 2.34 2.23 2oa6A1 GLU 182 HG3 -0.01 0.07 -0.09 -0.04 2.34 2.27 2oa6A1 LEU 183 H -0.05 0.44 -0.33 -0.55 8.37 7.89 2oa6A1 LEU 183 HA -0.08 0.00 0.44 -0.75 4.35 3.96 2oa6A1 LEU 183 HB2 -0.16 0.11 0.11 -0.04 1.64 1.66 2oa6A1 LEU 183 HB3 -0.33 0.14 0.22 -0.04 1.64 1.62 2oa6A1 LEU 183 HG -0.31 -0.02 -0.23 -0.04 1.64 1.04 2oa6A1 LEU 183 HD13 -0.13 -0.03 -0.10 -0.04 0.93 0.63 2oa6A1 LEU 183 HD23 -0.69 0.01 -0.01 -0.04 0.89 0.15 2oa6A1 LEU 184 H -0.11 0.60 -0.04 -0.55 8.37 8.27 2oa6A1 LEU 184 HA 0.09 -0.02 0.28 -0.75 4.35 3.95 2oa6A1 LEU 184 HB2 0.01 0.10 0.11 -0.04 1.64 1.83 2oa6A1 LEU 184 HB3 0.12 -0.01 -0.01 -0.04 1.64 1.70 2oa6A1 LEU 184 HG -0.22 0.14 0.08 -0.04 1.64 1.61 2oa6A1 LEU 184 HD13 -0.09 -0.02 -0.05 -0.04 0.93 0.73 2oa6A1 LEU 184 HD23 -0.40 -0.02 -0.02 -0.04 0.89 0.42 2oa6A1 ALA 185 H 0.03 0.42 -0.55 -0.55 8.40 7.75 2oa6A1 ALA 185 HA 0.10 0.03 0.42 -0.75 4.34 4.14 2oa6A1 ALA 185 HB3 0.11 0.03 0.07 -0.04 1.41 1.58 2oa6A1 ALA 186 H -0.00 0.60 -0.04 -0.55 8.40 8.41 2oa6A1 ALA 186 HA 0.00 0.01 0.52 -0.75 4.34 4.12 2oa6A1 ALA 186 HB3 -0.04 0.02 0.14 -0.04 1.41 1.49 2oa6A1 LEU 187 H -0.09 0.87 0.01 -0.55 8.37 8.62 2oa6A1 LEU 187 HA -0.17 -0.01 0.34 -0.75 4.35 3.76 2oa6A1 LEU 187 HB2 -0.17 0.00 0.03 -0.04 1.64 1.46 2oa6A1 LEU 187 HB3 -0.13 0.11 0.01 -0.04 1.64 1.59 2oa6A1 LEU 187 HG -0.56 -0.02 -0.20 -0.04 1.64 0.82 2oa6A1 LEU 187 HD13 -0.26 -0.03 0.01 -0.04 0.93 0.61 2oa6A1 LEU 187 HD23 0.02 0.00 -0.02 -0.04 0.89 0.84 2oa6A1 MET 188 H -0.20 0.44 -0.48 -0.55 8.47 7.69 2oa6A1 MET 188 HA -0.79 -0.01 0.47 -0.75 4.52 3.43 2oa6A1 MET 188 HB2 -0.02 0.10 0.08 -0.04 2.15 2.26 2oa6A1 MET 188 HB3 0.01 0.14 0.12 -0.04 2.03 2.25 2oa6A1 MET 188 HG2 -0.00 -0.06 -0.26 -0.04 2.63 2.26 2oa6A1 MET 188 HG3 0.03 -0.07 0.00 -0.04 2.56 2.48 2oa6A1 MET 188 HE3 -0.14 0.02 -0.03 -0.04 2.10 1.91 2oa6A1 ARG 189 H -0.01 0.48 -0.16 -0.55 8.46 8.22 2oa6A1 ARG 189 HA 0.04 -0.03 0.45 -0.75 4.34 4.04 2oa6A1 ARG 189 HB2 0.01 0.17 0.24 -0.04 1.90 2.28 2oa6A1 ARG 189 HB3 -0.01 0.09 0.08 -0.04 1.80 1.92 2oa6A1 ARG 189 HG2 0.11 -0.10 0.05 -0.04 1.67 1.69 2oa6A1 ARG 189 HG3 0.18 0.23 0.11 -0.04 1.67 2.15 2oa6A1 ARG 189 HD2 -0.14 -0.03 0.03 -0.04 3.22 3.04 2oa6A1 ARG 189 HD3 -0.47 -0.08 -0.03 -0.04 3.22 2.60 2oa6A1 PHE 190 H 0.05 0.55 -0.15 -0.55 8.34 8.24 2oa6A1 PHE 190 HA -0.11 -0.00 0.33 -0.75 4.62 4.09 2oa6A1 PHE 190 HB2 -0.15 0.05 0.03 -0.04 3.15 3.04 2oa6A1 PHE 190 HB3 -0.21 0.12 0.10 -0.04 3.06 3.03 2oa6A1 PHE 190 HD2 -0.18 0.05 -0.29 -0.04 7.28 6.82 2oa6A1 PHE 190 HE2 -0.28 -0.01 -0.11 -0.04 7.38 6.94 2oa6A1 PHE 190 HZ -0.70 0.03 0.01 -0.04 7.32 6.61 2oa6A1 SER 191 H -0.07 0.59 -0.19 -0.55 8.46 8.24 2oa6A1 SER 191 HA -0.11 -0.03 0.32 -0.75 4.49 3.92 2oa6A1 SER 191 HB2 -0.27 0.16 0.13 -0.04 3.95 3.92 2oa6A1 SER 191 HB3 -0.12 -0.16 0.01 -0.04 3.93 3.63 2oa6A1 MET 192 H -0.10 0.49 -0.36 -0.55 8.47 7.95 2oa6A1 MET 192 HA -0.05 0.02 0.81 -0.75 4.52 4.55 2oa6A1 MET 192 HB2 -0.01 0.02 0.05 -0.04 2.15 2.17 2oa6A1 MET 192 HB3 -0.01 -0.04 0.07 -0.04 2.03 2.02 2oa6A1 MET 192 HG2 0.00 0.12 -0.37 -0.04 2.63 2.35 2oa6A1 MET 192 HG3 -0.04 0.07 -0.11 -0.04 2.56 2.44 2oa6A1 MET 192 HE3 0.02 0.01 -0.05 -0.04 2.10 2.04 2oa6A1 GLY 193 H -0.19 0.40 -0.38 -0.55 8.43 7.72 2oa6A1 GLY 193 HA2 -0.19 0.03 0.28 -0.51 4.01 3.62 2oa6A1 GLY 193 HA3 -0.10 -0.01 0.42 -0.51 4.01 3.81 2oa6A1 LEU 194 H -0.05 0.44 -0.19 -0.55 8.37 8.02 2oa6A1 LEU 194 HA -0.02 0.07 0.57 -0.75 4.35 4.21 2oa6A1 LEU 194 HB2 0.02 -0.01 0.15 -0.04 1.64 1.76 2oa6A1 LEU 194 HB3 0.00 -0.09 -0.07 -0.04 1.64 1.44 2oa6A1 LEU 194 HG 0.01 0.05 -0.14 -0.04 1.64 1.52 2oa6A1 LEU 194 HD13 0.13 0.02 -0.14 -0.04 0.93 0.89 2oa6A1 LEU 194 HD23 0.01 -0.01 -0.08 -0.04 0.89 0.77 2oa6A1 LYS 195 H -0.03 0.25 0.13 -0.55 8.42 8.22 2oa6A1 LYS 195 HA -0.04 0.13 0.62 -0.75 4.32 4.28 2oa6A1 LYS 195 HB2 -0.03 -0.00 0.19 -0.04 1.87 1.98 2oa6A1 LYS 195 HB3 -0.03 -0.02 0.01 -0.04 1.79 1.71 2oa6A1 LYS 195 HG2 -0.03 -0.00 -0.08 -0.04 1.46 1.31 2oa6A1 LYS 195 HG3 -0.04 0.07 -0.17 -0.04 1.46 1.27 2oa6A1 LYS 195 HD2 -0.02 -0.03 -0.01 -0.04 1.69 1.58 2oa6A1 LYS 195 HD3 -0.03 -0.04 -0.03 -0.04 1.68 1.54 2oa6A1 LYS 195 HE2 -0.03 -0.04 0.06 -0.04 2.99 2.94 2oa6A1 LYS 195 HE3 -0.03 -0.02 0.03 -0.04 2.99 2.93 2oa6A1 LEU 196 H -0.07 0.31 0.06 -0.55 8.37 8.12 2oa6A1 LEU 196 HA -0.06 0.04 0.75 -0.75 4.35 4.32 2oa6A1 LEU 196 HB2 -0.15 0.09 0.04 -0.04 1.64 1.58 2oa6A1 LEU 196 HB3 -0.14 0.02 -0.12 -0.04 1.64 1.36 2oa6A1 LEU 196 HG -0.16 -0.06 -0.15 -0.04 1.64 1.24 2oa6A1 LEU 196 HD13 -0.06 -0.00 -0.39 -0.04 0.93 0.44 2oa6A1 LEU 196 HD23 -0.45 0.03 -0.12 -0.04 0.89 0.32 2oa6A1 SER 197 H -0.05 0.08 0.17 -0.55 8.46 8.12 2oa6A1 SER 197 HA -0.03 0.24 0.53 -0.75 4.49 4.46 2oa6A1 SER 197 HB2 -0.02 0.05 0.15 -0.04 3.95 4.08 2oa6A1 SER 197 HB3 -0.03 0.12 0.14 -0.04 3.93 4.12 2oa6A1 PRO 198 HA -0.04 0.13 0.40 -0.51 4.44 4.42 2oa6A1 PRO 198 HB2 -0.02 0.01 0.06 -0.04 2.28 2.29 2oa6A1 PRO 198 HB3 -0.02 0.09 0.09 -0.04 2.02 2.13 2oa6A1 PRO 198 HG2 -0.02 0.07 0.10 -0.04 2.03 2.14 2oa6A1 PRO 198 HG3 -0.03 0.11 0.10 -0.04 2.03 2.17 2oa6A1 PRO 198 HD2 -0.02 0.07 0.23 -0.04 3.68 3.92 2oa6A1 PRO 198 HD3 -0.03 0.21 0.25 -0.04 3.65 4.04 2oa6A1 SER 199 H -0.02 0.13 -0.20 -0.55 8.46 7.82 2oa6A1 SER 199 HA -0.02 0.10 0.38 -0.75 4.49 4.20 2oa6A1 SER 199 HB2 -0.01 0.04 0.08 -0.04 3.95 4.01 2oa6A1 SER 199 HB3 -0.02 -0.05 0.05 -0.04 3.93 3.87 2oa6A1 GLU 200 H -0.04 0.08 -0.36 -0.55 8.60 7.74 2oa6A1 GLU 200 HA -0.03 0.14 0.48 -0.75 4.29 4.13 2oa6A1 GLU 200 HB2 -0.06 0.04 0.14 -0.04 2.09 2.17 2oa6A1 GLU 200 HB3 -0.06 0.01 -0.03 -0.04 1.99 1.86 2oa6A1 GLU 200 HG2 -0.02 0.11 0.03 -0.04 2.34 2.42 2oa6A1 GLU 200 HG3 -0.03 -0.04 0.03 -0.04 2.34 2.26 2oa6A1 LEU 201 H -0.07 0.53 -0.12 -0.55 8.37 8.17 2oa6A1 LEU 201 HA -0.13 0.04 0.36 -0.75 4.35 3.87 2oa6A1 LEU 201 HB2 -0.06 0.06 0.06 -0.04 1.64 1.66 2oa6A1 LEU 201 HB3 -0.07 0.00 -0.05 -0.04 1.64 1.48 2oa6A1 LEU 201 HG -0.14 -0.08 -0.14 -0.04 1.64 1.24 2oa6A1 LEU 201 HD13 -0.07 0.00 -0.15 -0.04 0.93 0.67 2oa6A1 LEU 201 HD23 -0.22 0.00 -0.05 -0.04 0.89 0.59 2oa6A1 GLN 202 H -0.03 0.44 -0.29 -0.55 8.47 8.05 2oa6A1 GLN 202 HA -0.01 0.06 0.46 -0.75 4.36 4.12 2oa6A1 GLN 202 HB2 -0.01 0.10 0.13 -0.04 2.15 2.32 2oa6A1 GLN 202 HB3 -0.01 -0.04 -0.00 -0.04 2.02 1.93 2oa6A1 GLN 202 HG2 -0.02 0.29 0.05 -0.04 2.40 2.68 2oa6A1 GLN 202 HG3 -0.01 -0.06 -0.03 -0.04 2.39 2.24 2oa6A1 GLN 202 HE21 -0.01 0.00 -0.01 -0.04 6.97 6.92 2oa6A1 GLN 202 HE22 -0.01 -0.01 -0.01 -0.04 7.69 7.63 2oa6A1 ARG 203 H -0.01 0.38 -0.20 -0.55 8.46 8.08 2oa6A1 ARG 203 HA 0.00 0.05 0.48 -0.75 4.34 4.12 2oa6A1 ARG 203 HB2 0.00 -0.04 0.13 -0.04 1.90 1.96 2oa6A1 ARG 203 HB3 -0.00 0.01 0.13 -0.04 1.80 1.89 2oa6A1 ARG 203 HG2 -0.01 0.14 0.20 -0.04 1.67 1.96 2oa6A1 ARG 203 HG3 0.00 -0.03 -0.15 -0.04 1.67 1.45 2oa6A1 ARG 203 HD2 -0.00 -0.03 0.02 -0.04 3.22 3.17 2oa6A1 ARG 203 HD3 0.00 -0.04 0.01 -0.04 3.22 3.15 2oa6A1 VAL 204 H -0.00 0.27 -0.80 -0.55 8.24 7.16 2oa6A1 VAL 204 HA 0.05 0.12 0.80 -0.75 4.13 4.35 2oa6A1 VAL 204 HB 0.03 0.08 -0.02 -0.04 2.12 2.18 2oa6A1 VAL 204 HG13 -0.05 0.03 -0.02 -0.04 0.97 0.89 2oa6A1 VAL 204 HG23 0.29 -0.04 0.05 -0.04 0.95 1.22 2oa6A1 ARG 205 H 0.02 0.41 -0.28 -0.55 8.46 8.05 2oa6A1 ARG 205 HA 0.03 0.09 0.41 -0.75 4.34 4.11 2oa6A1 ARG 205 HB2 0.01 0.00 0.13 -0.04 1.90 2.01 2oa6A1 ARG 205 HB3 0.01 -0.02 0.01 -0.04 1.80 1.75 2oa6A1 ARG 205 HG2 0.00 0.13 0.25 -0.04 1.67 2.01 2oa6A1 ARG 205 HG3 0.00 -0.03 0.12 -0.04 1.67 1.72 2oa6A1 ARG 205 HD2 -0.00 -0.02 0.01 -0.04 3.22 3.17 2oa6A1 ARG 205 HD3 0.00 -0.03 0.02 -0.04 3.22 3.18 2oa6A1 GLU 206 H 0.03 0.20 -0.10 -0.55 8.60 8.18 2oa6A1 GLU 206 HA 0.02 0.09 0.42 -0.75 4.29 4.07 2oa6A1 GLU 206 HB2 0.03 0.02 0.04 -0.04 2.09 2.15 2oa6A1 GLU 206 HB3 0.04 0.02 -0.03 -0.04 1.99 1.98 2oa6A1 GLU 206 HG2 0.02 0.01 0.02 -0.04 2.34 2.35 2oa6A1 GLU 206 HG3 0.02 -0.00 0.04 -0.04 2.34 2.36 2oa6A1 ILE 207 H 0.05 0.13 -0.34 -0.55 8.25 7.54 2oa6A1 ILE 207 HA 0.09 0.05 0.38 -0.75 4.18 3.95 2oa6A1 ILE 207 HB 0.10 0.12 0.09 -0.04 1.89 2.16 2oa6A1 ILE 207 HG12 -0.02 0.03 0.01 -0.04 1.49 1.47 2oa6A1 ILE 207 HG13 0.03 -0.07 -0.02 -0.04 1.21 1.10 2oa6A1 ILE 207 HG23 0.16 0.00 -0.11 -0.04 0.93 0.95 2oa6A1 ILE 207 HD13 -0.02 0.02 -0.09 -0.04 0.88 0.75 2oa6A1 ASP 208 H 0.08 0.54 -0.12 -0.55 8.40 8.35 2oa6A1 ASP 208 HA 0.06 0.01 0.39 -0.75 4.63 4.34 2oa6A1 ASP 208 HB2 0.06 0.11 0.18 -0.04 2.71 3.01 2oa6A1 ASP 208 HB3 0.05 0.00 -0.04 -0.04 2.70 2.67 2oa6A1 ALA 209 H 0.01 0.48 -0.19 -0.55 8.40 8.16 2oa6A1 ALA 209 HA -0.05 0.16 0.52 -0.75 4.34 4.21 2oa6A1 ALA 209 HB3 -0.03 0.01 0.11 -0.04 1.41 1.46 2oa6A1 ASN 210 H -0.02 0.59 -0.13 -0.55 8.53 8.42 2oa6A1 ASN 210 HA -0.27 -0.02 0.39 -0.75 4.76 4.10 2oa6A1 ASN 210 HB2 0.03 0.07 0.12 -0.04 2.88 3.06 2oa6A1 ASN 210 HB3 0.07 0.12 0.18 -0.04 2.79 3.11 2oa6A1 ASN 210 HD21 0.31 0.48 0.12 -0.04 7.03 7.89 2oa6A1 ASN 210 HD22 0.21 -0.01 -0.07 -0.04 7.74 7.83 2oa6A1 CYS 211 H -0.01 0.64 -0.12 -0.55 8.50 8.47 2oa6A1 CYS 211 HA -0.04 -0.02 0.39 -0.75 4.58 4.15 2oa6A1 CYS 211 HB2 -0.02 0.03 0.10 -0.04 2.97 3.04 2oa6A1 CYS 211 HB3 -0.02 0.13 0.16 -0.04 2.97 3.20 2oa6A1 SER 212 H -0.06 0.64 -0.13 -0.55 8.46 8.36 2oa6A1 SER 212 HA -0.02 -0.06 0.37 -0.75 4.49 4.03 2oa6A1 SER 212 HB2 -0.04 0.10 0.16 -0.04 3.95 4.12 2oa6A1 SER 212 HB3 -0.09 0.08 0.21 -0.04 3.93 4.09 2oa6A1 LYS 213 H -0.26 0.53 -0.28 -0.55 8.42 7.85 2oa6A1 LYS 213 HA -0.22 -0.00 0.38 -0.75 4.32 3.73 2oa6A1 LYS 213 HB2 -0.99 0.18 0.14 -0.04 1.87 1.16 2oa6A1 LYS 213 HB3 -1.24 -0.11 -0.03 -0.04 1.79 0.37 2oa6A1 LYS 213 HG2 -0.25 -0.02 0.01 -0.04 1.46 1.16 2oa6A1 LYS 213 HG3 -0.31 0.18 0.03 -0.04 1.46 1.32 2oa6A1 LYS 213 HD2 -0.24 -0.12 -0.02 -0.04 1.69 1.27 2oa6A1 LYS 213 HD3 -0.13 0.01 -0.12 -0.04 1.68 1.41 2oa6A1 LYS 213 HE2 -1.29 0.05 -0.01 -0.04 2.99 1.71 2oa6A1 LYS 213 HE3 -0.03 -0.07 -0.05 -0.04 2.99 2.79 2oa6A1 HIS 214 H -0.16 0.48 -0.12 -0.55 8.41 8.06 2oa6A1 HIS 214 HA 0.27 -0.04 0.44 -0.75 4.63 4.55 2oa6A1 HIS 214 HB2 0.17 0.02 0.12 -0.04 3.26 3.53 2oa6A1 HIS 214 HB3 0.05 0.15 0.19 -0.04 3.20 3.54 2oa6A1 HIS 214 HD2 0.31 0.09 0.04 -0.04 6.97 7.36 2oa6A1 HIS 214 HE1 0.18 0.10 -0.14 -0.04 7.75 7.83 2oa6A1 LEU 215 H 0.14 0.66 -0.05 -0.55 8.37 8.57 2oa6A1 LEU 215 HA 0.26 0.05 0.38 -0.75 4.35 4.29 2oa6A1 LEU 215 HB2 0.09 0.07 0.10 -0.04 1.64 1.85 2oa6A1 LEU 215 HB3 0.16 -0.04 0.00 -0.04 1.64 1.72 2oa6A1 LEU 215 HG 0.07 0.16 -0.01 -0.04 1.64 1.81 2oa6A1 LEU 215 HD13 0.07 -0.02 -0.07 -0.04 0.93 0.87 2oa6A1 LEU 215 HD23 0.10 -0.03 -0.17 -0.04 0.89 0.75 2oa6A1 SER 216 H 0.06 0.52 -0.22 -0.55 8.46 8.27 2oa6A1 SER 216 HA 0.15 0.03 0.41 -0.75 4.49 4.32 2oa6A1 SER 216 HB2 0.03 0.08 0.18 -0.04 3.95 4.20 2oa6A1 SER 216 HB3 0.10 -0.10 0.06 -0.04 3.93 3.94 2oa6A1 VAL 217 H 0.11 0.74 -0.03 -0.55 8.24 8.51 2oa6A1 VAL 217 HA 0.15 -0.08 0.51 -0.75 4.13 3.95 2oa6A1 VAL 217 HB 0.30 0.12 0.11 -0.04 2.12 2.61 2oa6A1 VAL 217 HG13 0.09 -0.03 -0.11 -0.04 0.97 0.88 2oa6A1 VAL 217 HG23 0.37 0.04 0.04 -0.04 0.95 1.35 2oa6A1 VAL 218 H 0.07 0.62 -0.12 -0.55 8.24 8.26 2oa6A1 VAL 218 HA -0.14 0.00 0.44 -0.75 4.13 3.67 2oa6A1 VAL 218 HB 0.15 0.17 0.14 -0.04 2.12 2.54 2oa6A1 VAL 218 HG13 0.23 -0.01 -0.17 -0.04 0.97 0.98 2oa6A1 VAL 218 HG23 -0.13 -0.01 0.03 -0.04 0.95 0.79 2oa6A1 ASN 219 H 0.19 0.46 -0.25 -0.55 8.53 8.38 2oa6A1 ASN 219 HA 0.37 0.06 0.40 -0.75 4.76 4.83 2oa6A1 ASN 219 HB2 0.23 0.13 0.20 -0.04 2.88 3.39 2oa6A1 ASN 219 HB3 0.31 -0.05 -0.02 -0.04 2.79 3.00 2oa6A1 ASN 219 HD21 0.29 -0.06 -0.05 -0.04 7.03 7.18 2oa6A1 ASN 219 HD22 0.27 -0.05 -0.02 -0.04 7.74 7.89 2oa6A1 ASP 220 H 0.10 0.53 -0.13 -0.55 8.40 8.35 2oa6A1 ASP 220 HA 0.00 0.02 0.32 -0.75 4.63 4.22 2oa6A1 ASP 220 HB2 0.02 0.23 0.25 -0.04 2.71 3.17 2oa6A1 ASP 220 HB3 -0.03 -0.26 0.01 -0.04 2.70 2.38 2oa6A1 ILE 221 H -0.10 0.62 -0.18 -0.55 8.25 8.05 2oa6A1 ILE 221 HA -0.22 -0.10 0.44 -0.75 4.18 3.54 2oa6A1 ILE 221 HB -0.40 0.18 0.17 -0.04 1.89 1.80 2oa6A1 ILE 221 HG12 -0.29 -0.11 0.06 -0.04 1.49 1.11 2oa6A1 ILE 221 HG13 -0.21 0.11 0.08 -0.04 1.21 1.16 2oa6A1 ILE 221 HG23 -0.72 -0.01 -0.12 -0.04 0.93 0.03 2oa6A1 ILE 221 HD13 -0.62 -0.03 -0.15 -0.04 0.88 0.04 2oa6A1 TYR 222 H 0.02 0.49 -0.12 -0.55 8.29 8.12 2oa6A1 TYR 222 HA -0.06 0.07 0.68 -0.75 4.56 4.50 2oa6A1 TYR 222 HB2 0.01 0.02 0.13 -0.04 3.06 3.18 2oa6A1 TYR 222 HB3 0.05 0.17 0.11 -0.04 2.98 3.27 2oa6A1 TYR 222 HD2 -0.00 0.13 0.05 -0.04 7.15 7.29 2oa6A1 TYR 222 HE2 0.07 -0.02 0.00 -0.04 6.85 6.86 2oa6A1 SER 223 H -0.29 0.52 -0.09 -0.55 8.46 8.05 2oa6A1 SER 223 HA -0.67 0.19 0.80 -0.75 4.49 4.06 2oa6A1 SER 223 HB2 -0.45 -0.05 0.07 -0.04 3.95 3.48 2oa6A1 SER 223 HB3 -1.67 0.00 0.01 -0.04 3.93 2.23 2oa6A1 TYR 224 H -0.04 0.41 -0.20 -0.55 8.29 7.91 2oa6A1 TYR 224 HA -0.14 -0.02 0.31 -0.75 4.56 3.95 2oa6A1 TYR 224 HB2 -0.14 0.11 0.14 -0.04 3.06 3.13 2oa6A1 TYR 224 HB3 -0.13 0.03 0.07 -0.04 2.98 2.91 2oa6A1 TYR 224 HD2 -0.09 0.01 -0.11 -0.04 7.15 6.91 2oa6A1 TYR 224 HE2 -0.07 -0.04 -0.07 -0.04 6.85 6.64 2oa6A1 GLU 225 H -0.01 0.18 -0.23 -0.55 8.60 8.00 2oa6A1 GLU 225 HA -0.17 -0.04 0.33 -0.75 4.29 3.66 2oa6A1 GLU 225 HB2 -0.03 0.12 0.05 -0.04 2.09 2.19 2oa6A1 GLU 225 HB3 -0.04 0.03 -0.00 -0.04 1.99 1.94 2oa6A1 GLU 225 HG2 0.02 -0.01 0.03 -0.04 2.34 2.34 2oa6A1 GLU 225 HG3 0.05 -0.11 0.03 -0.04 2.34 2.27 2oa6A1 LYS 226 H -0.14 0.14 -0.29 -0.55 8.42 7.58 2oa6A1 LYS 226 HA -0.15 0.03 0.31 -0.75 4.32 3.76 2oa6A1 LYS 226 HB2 0.00 0.11 0.03 -0.04 1.87 1.97 2oa6A1 LYS 226 HB3 -0.08 0.00 0.16 -0.04 1.79 1.82 2oa6A1 LYS 226 HG2 0.11 0.11 0.01 -0.04 1.46 1.66 2oa6A1 LYS 226 HG3 -0.02 -0.05 -0.20 -0.04 1.46 1.16 2oa6A1 LYS 226 HD2 0.06 -0.04 -0.03 -0.04 1.69 1.64 2oa6A1 LYS 226 HD3 0.06 0.18 -0.20 -0.04 1.68 1.68 2oa6A1 LYS 226 HE2 0.25 -0.06 -0.05 -0.04 2.99 3.09 2oa6A1 LYS 226 HE3 0.14 -0.11 -0.01 -0.04 2.99 2.98 2oa6A1 GLU 227 H -0.29 0.52 0.02 -0.55 8.60 8.31 2oa6A1 GLU 227 HA -0.52 -0.03 0.27 -0.75 4.29 3.26 2oa6A1 GLU 227 HB2 -0.25 -0.00 0.02 -0.04 2.09 1.82 2oa6A1 GLU 227 HB3 -0.16 -0.03 -0.02 -0.04 1.99 1.74 2oa6A1 GLU 227 HG2 -0.05 -0.03 0.01 -0.04 2.34 2.23 2oa6A1 GLU 227 HG3 -0.13 0.14 -0.00 -0.04 2.34 2.31 2oa6A1 LEU 228 H -0.54 0.52 -0.47 -0.55 8.37 7.33 2oa6A1 LEU 228 HA -0.27 -0.08 0.38 -0.75 4.35 3.62 2oa6A1 LEU 228 HB2 -0.87 0.09 0.07 -0.04 1.64 0.89 2oa6A1 LEU 228 HB3 -0.35 0.10 0.17 -0.04 1.64 1.52 2oa6A1 LEU 228 HG -0.28 -0.07 -0.01 -0.04 1.64 1.25 2oa6A1 LEU 228 HD13 -0.20 -0.04 -0.02 -0.04 0.93 0.63 2oa6A1 LEU 228 HD23 -0.07 -0.01 -0.13 -0.04 0.89 0.64 2oa6A1 TYR 229 H 0.03 0.27 -0.07 -0.55 8.29 7.97 2oa6A1 TYR 229 HA -0.04 -0.08 0.32 -0.75 4.56 4.01 2oa6A1 TYR 229 HB2 -0.02 -0.18 0.10 -0.04 3.06 2.92 2oa6A1 TYR 229 HB3 -0.04 0.35 0.29 -0.04 2.98 3.54 2oa6A1 TYR 229 HD2 -0.02 -0.07 0.01 -0.04 7.15 7.03 2oa6A1 TYR 229 HE2 -0.00 -0.08 -0.04 -0.04 6.85 6.69 2oa6A1 THR 230 H 0.08 0.26 0.09 -0.55 8.28 8.15 2oa6A1 THR 230 HA -0.00 0.17 0.33 -0.75 4.39 4.14 2oa6A1 THR 230 HB 0.04 -0.05 0.01 -0.04 4.32 4.28 2oa6A1 THR 230 HG23 0.02 -0.01 0.07 -0.04 1.22 1.26 2oa6A1 LEU 241 HA 0.02 -0.17 0.21 -0.75 4.35 3.66 2oa6A1 LEU 241 HB2 0.03 -0.03 0.06 -0.04 1.64 1.66 2oa6A1 LEU 241 HB3 0.04 0.09 0.12 -0.04 1.64 1.84 2oa6A1 LEU 241 HG 0.03 -0.07 -0.14 -0.04 1.64 1.42 2oa6A1 LEU 241 HD13 0.04 -0.01 0.01 -0.04 0.93 0.92 2oa6A1 LEU 241 HD23 0.05 0.02 -0.04 -0.04 0.89 0.88 2oa6A1 CYS 242 H 0.02 0.03 0.05 -0.55 8.50 8.04 2oa6A1 CYS 242 HA 0.03 -0.10 0.37 -0.75 4.58 4.12 2oa6A1 CYS 242 HB2 0.06 -0.05 -0.18 -0.04 2.97 2.76 2oa6A1 CYS 242 HB3 0.13 0.14 0.16 -0.04 2.97 3.36 2oa6A1 THR 243 H -0.15 0.16 0.09 -0.55 8.28 7.83 2oa6A1 THR 243 HA -0.17 0.18 0.59 -0.75 4.39 4.23 2oa6A1 THR 243 HB 0.04 0.31 -0.03 -0.04 4.32 4.60 2oa6A1 THR 243 HG23 0.06 -0.04 -0.25 -0.04 1.22 0.94 2oa6A1 SER 244 H -0.54 0.30 0.10 -0.55 8.46 7.78 2oa6A1 SER 244 HA -0.46 0.02 0.38 -0.75 4.49 3.68 2oa6A1 SER 244 HB2 -0.02 0.01 0.04 -0.04 3.95 3.94 2oa6A1 SER 244 HB3 0.00 0.06 0.08 -0.04 3.93 4.04 2oa6A1 VAL 245 H -0.17 0.13 -0.39 -0.55 8.24 7.26 2oa6A1 VAL 245 HA -0.21 0.08 0.29 -0.75 4.13 3.54 2oa6A1 VAL 245 HB -0.27 0.01 -0.01 -0.04 2.12 1.81 2oa6A1 VAL 245 HG13 -0.74 0.01 -0.09 -0.04 0.97 0.11 2oa6A1 VAL 245 HG23 -0.15 0.05 -0.17 -0.04 0.95 0.64 2oa6A1 GLN 246 H -0.12 0.19 -0.14 -0.55 8.47 7.85 2oa6A1 GLN 246 HA -0.11 0.08 0.52 -0.75 4.36 4.09 2oa6A1 GLN 246 HB2 0.13 0.08 0.04 -0.04 2.15 2.36 2oa6A1 GLN 246 HB3 -0.01 -0.00 0.10 -0.04 2.02 2.06 2oa6A1 GLN 246 HG2 -0.01 -0.04 -0.19 -0.04 2.40 2.11 2oa6A1 GLN 246 HG3 -0.01 -0.05 -0.02 -0.04 2.39 2.27 2oa6A1 GLN 246 HE21 0.03 0.10 0.01 -0.04 6.97 7.06 2oa6A1 GLN 246 HE22 0.01 -0.13 -0.00 -0.04 7.69 7.52 2oa6A1 ILE 247 H -0.16 0.47 -0.09 -0.55 8.25 7.92 2oa6A1 ILE 247 HA -0.06 0.09 0.46 -0.75 4.18 3.92 2oa6A1 ILE 247 HB -0.19 0.01 0.07 -0.04 1.89 1.73 2oa6A1 ILE 247 HG12 -0.04 0.16 0.06 -0.04 1.49 1.63 2oa6A1 ILE 247 HG13 -0.11 -0.08 0.03 -0.04 1.21 1.01 2oa6A1 ILE 247 HG23 -0.02 0.00 -0.25 -0.04 0.93 0.62 2oa6A1 ILE 247 HD13 -0.16 -0.01 -0.19 -0.04 0.88 0.47 2oa6A1 LEU 248 H -0.11 0.66 -0.09 -0.55 8.37 8.29 2oa6A1 LEU 248 HA -0.04 -0.01 0.47 -0.75 4.35 4.00 2oa6A1 LEU 248 HB2 -0.06 -0.01 0.13 -0.04 1.64 1.66 2oa6A1 LEU 248 HB3 -0.10 0.10 0.14 -0.04 1.64 1.75 2oa6A1 LEU 248 HG -0.06 -0.01 -0.15 -0.04 1.64 1.38 2oa6A1 LEU 248 HD13 -0.03 -0.02 0.04 -0.04 0.93 0.88 2oa6A1 LEU 248 HD23 -0.06 0.01 0.00 -0.04 0.89 0.80 2oa6A1 ALA 249 H -0.11 0.47 -0.18 -0.55 8.40 8.02 2oa6A1 ALA 249 HA -0.07 -0.05 0.32 -0.75 4.34 3.79 2oa6A1 ALA 249 HB3 -0.11 0.08 0.02 -0.04 1.41 1.37 2oa6A1 GLN 250 H -0.05 0.45 -0.29 -0.55 8.47 8.04 2oa6A1 GLN 250 HA -0.03 0.14 0.76 -0.75 4.36 4.48 2oa6A1 GLN 250 HB2 -0.01 -0.04 0.07 -0.04 2.15 2.13 2oa6A1 GLN 250 HB3 -0.02 -0.02 0.08 -0.04 2.02 2.02 2oa6A1 GLN 250 HG2 -0.04 0.55 0.30 -0.04 2.40 3.17 2oa6A1 GLN 250 HG3 -0.02 -0.01 0.07 -0.04 2.39 2.38 2oa6A1 GLN 250 HE21 -0.01 -0.04 -0.02 -0.04 6.97 6.86 2oa6A1 GLN 250 HE22 -0.02 -0.01 0.01 -0.04 7.69 7.63 2oa6A1 GLU 251 H -0.03 0.39 -0.09 -0.55 8.60 8.32 2oa6A1 GLU 251 HA -0.01 0.10 0.68 -0.75 4.29 4.30 2oa6A1 GLU 251 HB2 -0.02 0.04 0.19 -0.04 2.09 2.26 2oa6A1 GLU 251 HB3 -0.01 -0.05 0.08 -0.04 1.99 1.97 2oa6A1 GLU 251 HG2 -0.01 0.02 0.03 -0.04 2.34 2.35 2oa6A1 GLU 251 HG3 -0.01 0.21 0.11 -0.04 2.34 2.61 2oa6A1 ALA 252 H -0.03 0.45 -0.09 -0.55 8.40 8.18 2oa6A1 ALA 252 HA -0.02 0.13 0.71 -0.75 4.34 4.41 2oa6A1 ALA 252 HB3 -0.03 -0.02 0.02 -0.04 1.41 1.33 2oa6A1 ASP 253 H -0.03 0.08 -0.38 -0.55 8.40 7.52 2oa6A1 ASP 253 HA -0.02 0.09 0.40 -0.75 4.63 4.34 2oa6A1 ASP 253 HB2 -0.01 0.01 -0.17 -0.04 2.71 2.49 2oa6A1 ASP 253 HB3 -0.02 0.10 0.19 -0.04 2.70 2.94 2oa6A1 VAL 254 H -0.04 0.43 0.17 -0.55 8.24 8.26 2oa6A1 VAL 254 HA -0.03 0.18 0.82 -0.75 4.13 4.34 2oa6A1 VAL 254 HB -0.04 -0.15 0.10 -0.04 2.12 1.98 2oa6A1 VAL 254 HG13 -0.03 0.05 -0.26 -0.04 0.97 0.68 2oa6A1 VAL 254 HG23 -0.06 0.04 -0.18 -0.04 0.95 0.71 2oa6A1 THR 255 H -0.04 0.10 0.14 -0.55 8.28 7.93 2oa6A1 THR 255 HA -0.04 0.18 0.45 -0.75 4.39 4.24 2oa6A1 THR 255 HB -0.03 -0.03 0.17 -0.04 4.32 4.40 2oa6A1 THR 255 HG23 -0.02 0.05 0.07 -0.04 1.22 1.29 2oa6A1 ALA 256 H -0.07 0.22 0.18 -0.55 8.40 8.18 2oa6A1 ALA 256 HA -0.26 0.15 0.44 -0.75 4.34 3.92 2oa6A1 ALA 256 HB3 -0.42 0.04 0.06 -0.04 1.41 1.05 2oa6A1 GLU 257 H -0.08 0.07 -0.12 -0.55 8.60 7.93 2oa6A1 GLU 257 HA -0.10 0.15 0.36 -0.75 4.29 3.94 2oa6A1 GLU 257 HB2 -0.03 0.03 0.09 -0.04 2.09 2.14 2oa6A1 GLU 257 HB3 -0.04 -0.05 0.03 -0.04 1.99 1.89 2oa6A1 GLU 257 HG2 -0.02 0.05 -0.03 -0.04 2.34 2.29 2oa6A1 GLU 257 HG3 -0.03 0.01 -0.13 -0.04 2.34 2.14 2oa6A1 ALA 258 H -0.07 0.03 -0.30 -0.55 8.40 7.51 2oa6A1 ALA 258 HA -0.05 0.10 0.42 -0.75 4.34 4.06 2oa6A1 ALA 258 HB3 -0.05 0.03 0.05 -0.04 1.41 1.40 2oa6A1 ALA 259 H -0.11 0.46 -0.31 -0.55 8.40 7.89 2oa6A1 ALA 259 HA -0.09 -0.03 0.34 -0.75 4.34 3.81 2oa6A1 ALA 259 HB3 -0.16 0.03 0.13 -0.04 1.41 1.38 2oa6A1 LYS 260 H -0.15 0.56 -0.14 -0.55 8.42 8.12 2oa6A1 LYS 260 HA -0.17 -0.04 0.38 -0.75 4.32 3.74 2oa6A1 LYS 260 HB2 -0.10 0.17 0.14 -0.04 1.87 2.03 2oa6A1 LYS 260 HB3 -0.16 0.01 0.03 -0.04 1.79 1.62 2oa6A1 LYS 260 HG2 -0.24 -0.09 0.07 -0.04 1.46 1.15 2oa6A1 LYS 260 HG3 -0.23 0.18 0.02 -0.04 1.46 1.38 2oa6A1 LYS 260 HD2 -0.13 -0.02 0.02 -0.04 1.69 1.52 2oa6A1 LYS 260 HD3 -0.21 0.23 0.09 -0.04 1.68 1.75 2oa6A1 LYS 260 HE2 -0.08 -0.02 -0.00 -0.04 2.99 2.85 2oa6A1 LYS 260 HE3 -0.12 -0.15 -0.17 -0.04 2.99 2.51 2oa6A1 ARG 261 H -0.05 0.37 -0.28 -0.55 8.46 7.95 2oa6A1 ARG 261 HA 0.08 0.08 0.44 -0.75 4.34 4.20 2oa6A1 ARG 261 HB2 -0.03 0.08 0.14 -0.04 1.90 2.06 2oa6A1 ARG 261 HB3 -0.01 -0.02 0.04 -0.04 1.80 1.76 2oa6A1 ARG 261 HG2 0.01 0.01 0.02 -0.04 1.67 1.66 2oa6A1 ARG 261 HG3 -0.02 0.20 0.09 -0.04 1.67 1.89 2oa6A1 ARG 261 HD2 -0.02 -0.00 0.02 -0.04 3.22 3.17 2oa6A1 ARG 261 HD3 -0.02 0.02 0.01 -0.04 3.22 3.19 2oa6A1 VAL 262 H -0.05 0.48 -0.07 -0.55 8.24 8.05 2oa6A1 VAL 262 HA -0.05 0.05 0.53 -0.75 4.13 3.90 2oa6A1 VAL 262 HB -0.06 0.06 0.16 -0.04 2.12 2.24 2oa6A1 VAL 262 HG13 -0.07 -0.02 -0.09 -0.04 0.97 0.75 2oa6A1 VAL 262 HG23 -0.05 0.04 0.01 -0.04 0.95 0.91 2oa6A1 LEU 263 H -0.07 0.73 -0.02 -0.55 8.37 8.46 2oa6A1 LEU 263 HA -0.12 -0.06 0.34 -0.75 4.35 3.76 2oa6A1 LEU 263 HB2 -0.12 0.18 0.10 -0.04 1.64 1.76 2oa6A1 LEU 263 HB3 -0.07 -0.06 -0.03 -0.04 1.64 1.44 2oa6A1 LEU 263 HG -0.08 0.11 0.03 -0.04 1.64 1.65 2oa6A1 LEU 263 HD13 -0.11 0.01 -0.33 -0.04 0.93 0.46 2oa6A1 LEU 263 HD23 -0.00 -0.03 -0.03 -0.04 0.89 0.79 2oa6A1 PHE 264 H 0.05 0.47 -0.38 -0.55 8.34 7.93 2oa6A1 PHE 264 HA -0.07 -0.01 0.35 -0.75 4.62 4.14 2oa6A1 PHE 264 HB2 -0.08 0.20 0.20 -0.04 3.15 3.42 2oa6A1 PHE 264 HB3 -0.06 0.04 0.04 -0.04 3.06 3.04 2oa6A1 PHE 264 HD2 -0.06 -0.05 0.01 -0.04 7.28 7.14 2oa6A1 PHE 264 HE2 0.04 0.01 -0.06 -0.04 7.38 7.34 2oa6A1 PHE 264 HZ 0.29 0.04 -0.02 -0.04 7.32 7.59 2oa6A1 VAL 265 H 0.02 0.43 -0.21 -0.55 8.24 7.93 2oa6A1 VAL 265 HA -0.04 0.05 0.49 -0.75 4.13 3.87 2oa6A1 VAL 265 HB -0.07 0.13 0.22 -0.04 2.12 2.35 2oa6A1 VAL 265 HG13 -0.08 -0.03 -0.06 -0.04 0.97 0.75 2oa6A1 VAL 265 HG23 -0.04 0.05 0.10 -0.04 0.95 1.02 2oa6A1 MET 266 H -0.18 0.58 -0.06 -0.55 8.47 8.26 2oa6A1 MET 266 HA -0.46 -0.02 0.45 -0.75 4.52 3.73 2oa6A1 MET 266 HB2 -0.33 0.04 0.09 -0.04 2.15 1.92 2oa6A1 MET 266 HB3 -0.57 0.15 0.12 -0.04 2.03 1.69 2oa6A1 MET 266 HG2 -1.96 -0.02 -0.09 -0.04 2.63 0.51 2oa6A1 MET 266 HG3 -0.61 -0.03 0.03 -0.04 2.56 1.92 2oa6A1 MET 266 HE3 -0.12 -0.00 -0.06 -0.04 2.10 1.88 2oa6A1 CYS 267 H -0.21 0.68 -0.20 -0.55 8.50 8.22 2oa6A1 CYS 267 HA 0.27 -0.05 0.45 -0.75 4.58 4.49 2oa6A1 CYS 267 HB2 0.07 0.29 0.19 -0.04 2.97 3.48 2oa6A1 CYS 267 HB3 -0.26 -0.05 0.02 -0.04 2.97 2.64 2oa6A1 ARG 268 H -0.02 0.51 -0.11 -0.55 8.46 8.29 2oa6A1 ARG 268 HA 0.01 -0.02 0.49 -0.75 4.34 4.06 2oa6A1 ARG 268 HB2 -0.06 0.11 0.17 -0.04 1.90 2.08 2oa6A1 ARG 268 HB3 -0.07 -0.08 0.13 -0.04 1.80 1.74 2oa6A1 ARG 268 HG2 0.01 0.18 0.12 -0.04 1.67 1.94 2oa6A1 ARG 268 HG3 -0.06 0.06 0.00 -0.04 1.67 1.63 2oa6A1 ARG 268 HD2 -0.06 -0.11 0.11 -0.04 3.22 3.12 2oa6A1 ARG 268 HD3 0.07 -0.14 -0.06 -0.04 3.22 3.05 2oa6A1 GLU 269 H -0.20 0.44 -0.41 -0.55 8.60 7.89 2oa6A1 GLU 269 HA -0.07 0.01 0.54 -0.75 4.29 4.01 2oa6A1 GLU 269 HB2 -0.44 0.25 0.26 -0.04 2.09 2.12 2oa6A1 GLU 269 HB3 -0.19 -0.10 0.03 -0.04 1.99 1.69 2oa6A1 GLU 269 HG2 -0.17 0.16 -0.02 -0.04 2.34 2.27 2oa6A1 GLU 269 HG3 -0.17 -0.06 0.00 -0.04 2.34 2.08 2oa6A1 TRP 270 H -0.03 0.51 -0.06 -0.55 7.97 7.85 2oa6A1 TRP 270 HA 0.08 -0.01 0.52 -0.75 4.62 4.46 2oa6A1 TRP 270 HB2 0.21 0.14 0.18 -0.04 3.23 3.73 2oa6A1 TRP 270 HB3 0.16 -0.02 0.04 -0.04 3.23 3.36 2oa6A1 TRP 270 HD1 0.07 -0.05 -0.02 -0.04 7.22 7.18 2oa6A1 TRP 270 HE1 0.05 -0.04 -0.04 -0.04 10.20 10.13 2oa6A1 TRP 270 HE3 0.05 0.01 -0.02 -0.04 7.59 7.59 2oa6A1 TRP 270 HZ2 0.05 -0.05 -0.06 -0.04 7.44 7.34 2oa6A1 TRP 270 HZ3 -0.01 0.00 -0.11 -0.04 7.13 6.97 2oa6A1 TRP 270 HH2 0.05 -0.06 -0.07 -0.04 7.19 7.07 2oa6A1 GLU 271 H 0.18 0.47 -0.26 -0.55 8.60 8.45 2oa6A1 GLU 271 HA 0.12 0.03 0.45 -0.75 4.29 4.13 2oa6A1 GLU 271 HB2 -0.22 0.17 0.20 -0.04 2.09 2.21 2oa6A1 GLU 271 HB3 -1.00 -0.09 0.05 -0.04 1.99 0.90 2oa6A1 GLU 271 HG2 -0.20 -0.05 0.01 -0.04 2.34 2.06 2oa6A1 GLU 271 HG3 0.27 0.19 0.04 -0.04 2.34 2.80 2oa6A1 LEU 272 H 0.01 0.50 -0.17 -0.55 8.37 8.16 2oa6A1 LEU 272 HA 0.02 -0.00 0.46 -0.75 4.35 4.08 2oa6A1 LEU 272 HB2 -0.02 0.03 0.15 -0.04 1.64 1.76 2oa6A1 LEU 272 HB3 0.01 0.16 0.22 -0.04 1.64 1.98 2oa6A1 LEU 272 HG 0.03 -0.03 -0.18 -0.04 1.64 1.41 2oa6A1 LEU 272 HD13 0.01 -0.02 0.06 -0.04 0.93 0.94 2oa6A1 LEU 272 HD23 -0.01 0.00 0.01 -0.04 0.89 0.85 2oa6A1 ARG 273 H 0.14 0.62 -0.13 -0.55 8.46 8.54 2oa6A1 ARG 273 HA 0.10 -0.02 0.38 -0.75 4.34 4.05 2oa6A1 ARG 273 HB2 0.20 0.05 0.11 -0.04 1.90 2.21 2oa6A1 ARG 273 HB3 0.27 0.12 0.14 -0.04 1.80 2.30 2oa6A1 ARG 273 HG2 0.13 -0.04 -0.20 -0.04 1.67 1.52 2oa6A1 ARG 273 HG3 0.11 -0.04 0.03 -0.04 1.67 1.72 2oa6A1 ARG 273 HD2 0.24 0.01 -0.02 -0.04 3.22 3.42 2oa6A1 ARG 273 HD3 0.20 0.01 -0.03 -0.04 3.22 3.37 2oa6A1 HIS 274 H 0.28 0.62 -0.28 -0.55 8.41 8.48 2oa6A1 HIS 274 HA 0.09 -0.05 0.38 -0.75 4.63 4.30 2oa6A1 HIS 274 HB2 0.16 0.06 0.14 -0.04 3.26 3.58 2oa6A1 HIS 274 HB3 0.26 0.22 0.22 -0.04 3.20 3.85 2oa6A1 HIS 274 HD2 0.15 0.01 -0.11 -0.04 6.97 6.97 2oa6A1 HIS 274 HE1 -0.07 -0.02 0.02 -0.04 7.75 7.63 2oa6A1 GLN 275 H 0.23 0.56 -0.08 -0.55 8.47 8.63 2oa6A1 GLN 275 HA 0.02 -0.01 0.43 -0.75 4.36 4.05 2oa6A1 GLN 275 HB2 0.09 0.09 0.18 -0.04 2.15 2.47 2oa6A1 GLN 275 HB3 0.08 -0.05 0.05 -0.04 2.02 2.07 2oa6A1 GLN 275 HG2 0.29 -0.04 0.04 -0.04 2.40 2.65 2oa6A1 GLN 275 HG3 0.34 0.21 0.14 -0.04 2.39 3.03 2oa6A1 GLN 275 HE21 0.13 -0.01 -0.01 -0.04 6.97 7.04 2oa6A1 GLN 275 HE22 0.28 0.00 -0.01 -0.04 7.69 7.92 2oa6A1 LEU 276 H 0.06 0.71 -0.05 -0.55 8.37 8.54 2oa6A1 LEU 276 HA 0.02 -0.02 0.37 -0.75 4.35 3.97 2oa6A1 LEU 276 HB2 0.05 0.10 0.17 -0.04 1.64 1.92 2oa6A1 LEU 276 HB3 0.03 -0.07 0.01 -0.04 1.64 1.57 2oa6A1 LEU 276 HG 0.04 0.21 0.04 -0.04 1.64 1.89 2oa6A1 LEU 276 HD13 0.03 -0.02 -0.04 -0.04 0.93 0.86 2oa6A1 LEU 276 HD23 0.02 -0.02 0.01 -0.04 0.89 0.86 2oa6A1 LEU 277 H 0.01 0.84 -0.14 -0.55 8.37 8.53 2oa6A1 LEU 277 HA 0.00 -0.02 0.45 -0.75 4.35 4.04 2oa6A1 LEU 277 HB2 -0.03 0.18 0.18 -0.04 1.64 1.92 2oa6A1 LEU 277 HB3 -0.01 -0.11 -0.01 -0.04 1.64 1.48 2oa6A1 LEU 277 HG 0.05 0.12 0.02 -0.04 1.64 1.79 2oa6A1 LEU 277 HD13 0.07 -0.04 -0.20 -0.04 0.93 0.72 2oa6A1 LEU 277 HD23 0.03 -0.03 -0.02 -0.04 0.89 0.83 2oa6A1 VAL 278 H -0.13 0.73 -0.02 -0.55 8.24 8.27 2oa6A1 VAL 278 HA -0.07 -0.02 0.47 -0.75 4.13 3.75 2oa6A1 VAL 278 HB -0.11 0.12 0.18 -0.04 2.12 2.27 2oa6A1 VAL 278 HG13 -0.04 -0.03 -0.07 -0.04 0.97 0.80 2oa6A1 VAL 278 HG23 -0.40 0.06 0.02 -0.04 0.95 0.59 2oa6A1 ALA 279 H -0.02 0.75 -0.09 -0.55 8.40 8.49 2oa6A1 ALA 279 HA -0.00 0.00 0.48 -0.75 4.34 4.07 2oa6A1 ALA 279 HB3 0.01 0.03 0.10 -0.04 1.41 1.51 2oa6A1 ARG 280 H -0.00 0.59 -0.12 -0.55 8.46 8.38 2oa6A1 ARG 280 HA 0.01 0.03 0.46 -0.75 4.34 4.08 2oa6A1 ARG 280 HB2 0.01 0.08 0.13 -0.04 1.90 2.08 2oa6A1 ARG 280 HB3 0.01 0.08 0.12 -0.04 1.80 1.96 2oa6A1 ARG 280 HG2 0.01 -0.02 -0.07 -0.04 1.67 1.54 2oa6A1 ARG 280 HG3 0.01 -0.02 0.05 -0.04 1.67 1.66 2oa6A1 ARG 280 HD2 0.01 -0.03 -0.01 -0.04 3.22 3.15 2oa6A1 ARG 280 HD3 0.02 0.01 -0.02 -0.04 3.22 3.19 2oa6A1 LEU 281 H -0.01 0.46 -0.26 -0.55 8.37 8.01 2oa6A1 LEU 281 HA 0.00 0.02 0.45 -0.75 4.35 4.07 2oa6A1 LEU 281 HB2 -0.00 0.18 0.16 -0.04 1.64 1.94 2oa6A1 LEU 281 HB3 -0.00 0.09 0.11 -0.04 1.64 1.80 2oa6A1 LEU 281 HG 0.01 -0.02 -0.06 -0.04 1.64 1.53 2oa6A1 LEU 281 HD13 0.01 -0.04 -0.35 -0.04 0.93 0.51 2oa6A1 LEU 281 HD23 0.01 -0.01 0.01 -0.04 0.89 0.87 2oa6A1 SER 282 H -0.00 0.42 -0.20 -0.55 8.46 8.13 2oa6A1 SER 282 HA 0.00 -0.05 0.59 -0.75 4.49 4.28 2oa6A1 SER 282 HB2 0.00 0.03 0.14 -0.04 3.95 4.08 2oa6A1 SER 282 HB3 0.00 0.07 0.19 -0.04 3.93 4.16 2oa6A1 ALA 283 H 0.00 0.81 0.05 -0.55 8.40 8.72 2oa6A1 ALA 283 HA 0.00 -0.04 0.38 -0.75 4.34 3.93 2oa6A1 ALA 283 HB3 0.01 -0.02 0.13 -0.04 1.41 1.49 2oa6A1 GLU 284 H 0.00 0.01 -1.36 -0.55 8.60 6.71 2oa6A1 GLU 284 HA 0.00 0.10 0.76 -0.75 4.29 4.40 2oa6A1 GLU 284 HB2 0.00 0.13 0.10 -0.04 2.09 2.29 2oa6A1 GLU 284 HB3 0.00 -0.16 0.17 -0.04 1.99 1.97 2oa6A1 GLU 284 HG2 0.00 -0.06 0.02 -0.04 2.34 2.26 2oa6A1 GLU 284 HG3 0.01 0.08 -0.17 -0.04 2.34 2.22 2oa6A1 GLY 285 H 0.00 0.11 0.12 -0.55 8.43 8.11 2oa6A1 GLY 285 HA2 0.00 0.22 0.72 -0.51 4.01 4.45 2oa6A1 GLY 285 HA3 0.00 -0.05 0.41 -0.51 4.01 3.86 2oa6A1 LEU 286 H 0.00 0.14 -0.74 -0.55 8.37 7.23 2oa6A1 LEU 286 HA 0.00 0.08 0.63 -0.75 4.35 4.31 2oa6A1 LEU 286 HB2 0.00 0.25 0.15 -0.04 1.64 2.00 2oa6A1 LEU 286 HB3 0.00 -0.08 0.05 -0.04 1.64 1.57 2oa6A1 LEU 286 HG 0.00 -0.11 0.03 -0.04 1.64 1.53 2oa6A1 LEU 286 HD13 0.00 0.00 0.03 -0.04 0.93 0.93 2oa6A1 LEU 286 HD23 0.00 0.00 -0.11 -0.04 0.89 0.74 2oa6A1 GLU 287 H 0.01 0.33 -0.03 -0.55 8.60 8.36 2oa6A1 GLU 287 HA 0.01 -0.05 0.30 -0.75 4.29 3.80 2oa6A1 GLU 287 HB2 0.01 0.02 -0.06 -0.04 2.09 2.01 2oa6A1 GLU 287 HB3 0.01 0.04 -0.03 -0.04 1.99 1.97 2oa6A1 GLU 287 HG2 0.02 -0.03 0.03 -0.04 2.34 2.32 2oa6A1 GLU 287 HG3 0.02 -0.03 -0.02 -0.04 2.34 2.27 2oa6A1 THR 288 H 0.02 0.05 0.22 -0.55 8.28 8.02 2oa6A1 THR 288 HA 0.00 0.31 0.76 -0.75 4.39 4.71 2oa6A1 THR 288 HB 0.00 0.18 -0.04 -0.04 4.32 4.42 2oa6A1 THR 288 HG23 0.00 -0.24 -0.06 -0.04 1.22 0.88 2oa6A1 PRO 289 HA 0.01 0.12 0.46 -0.51 4.44 4.52 2oa6A1 PRO 289 HB2 0.00 -0.02 0.14 -0.04 2.28 2.37 2oa6A1 PRO 289 HB3 0.01 0.09 0.10 -0.04 2.02 2.17 2oa6A1 PRO 289 HG2 0.00 0.08 0.11 -0.04 2.03 2.17 2oa6A1 PRO 289 HG3 0.00 0.09 0.08 -0.04 2.03 2.16 2oa6A1 PRO 289 HD2 0.00 0.08 0.24 -0.04 3.68 3.96 2oa6A1 PRO 289 HD3 0.00 0.23 0.19 -0.04 3.65 4.03 2oa6A1 GLY 290 H 0.00 0.16 -0.07 -0.55 8.43 7.97 2oa6A1 GLY 290 HA2 0.02 0.13 0.33 -0.51 4.01 3.98 2oa6A1 GLY 290 HA3 0.00 0.07 0.22 -0.51 4.01 3.80 2oa6A1 LEU 291 H 0.02 0.04 -0.26 -0.55 8.37 7.62 2oa6A1 LEU 291 HA 0.12 0.07 0.39 -0.75 4.35 4.17 2oa6A1 LEU 291 HB2 0.03 -0.20 0.20 -0.04 1.64 1.63 2oa6A1 LEU 291 HB3 0.06 0.07 -0.00 -0.04 1.64 1.72 2oa6A1 LEU 291 HG -0.01 -0.11 0.01 -0.04 1.64 1.49 2oa6A1 LEU 291 HD13 0.00 0.05 0.01 -0.04 0.93 0.96 2oa6A1 LEU 291 HD23 -0.01 0.02 -0.09 -0.04 0.89 0.77 2oa6A1 ALA 292 H 0.04 0.80 -0.05 -0.55 8.40 8.64 2oa6A1 ALA 292 HA 0.04 -0.01 0.39 -0.75 4.34 4.00 2oa6A1 ALA 292 HB3 0.02 0.04 0.10 -0.04 1.41 1.53 2oa6A1 ALA 293 H 0.05 0.48 -0.21 -0.55 8.40 8.18 2oa6A1 ALA 293 HA 0.04 0.02 0.43 -0.75 4.34 4.08 2oa6A1 ALA 293 HB3 0.04 0.03 0.08 -0.04 1.41 1.52 2oa6A1 TYR 294 H 0.17 0.49 -0.12 -0.55 8.29 8.28 2oa6A1 TYR 294 HA 0.02 0.04 0.41 -0.75 4.56 4.27 2oa6A1 TYR 294 HB2 0.00 0.00 0.05 -0.04 3.06 3.07 2oa6A1 TYR 294 HB3 0.01 0.03 0.23 -0.04 2.98 3.21 2oa6A1 TYR 294 HD2 0.01 -0.00 -0.05 -0.04 7.15 7.06 2oa6A1 TYR 294 HE2 0.01 0.06 -0.03 -0.04 6.85 6.85 2oa6A1 VAL 295 H 0.11 0.72 0.05 -0.55 8.24 8.57 2oa6A1 VAL 295 HA -0.13 0.01 0.43 -0.75 4.13 3.68 2oa6A1 VAL 295 HB -0.00 -0.03 0.05 -0.04 2.12 2.09 2oa6A1 VAL 295 HG13 0.12 0.04 0.04 -0.04 0.97 1.12 2oa6A1 VAL 295 HG23 0.02 0.06 0.05 -0.04 0.95 1.03 2oa6A1 GLU 296 H 0.02 0.50 -0.20 -0.55 8.60 8.38 2oa6A1 GLU 296 HA -0.01 -0.00 0.44 -0.75 4.29 3.96 2oa6A1 GLU 296 HB2 0.04 -0.00 0.12 -0.04 2.09 2.21 2oa6A1 GLU 296 HB3 0.05 0.12 0.16 -0.04 1.99 2.28 2oa6A1 GLU 296 HG2 0.21 0.02 -0.29 -0.04 2.34 2.23 2oa6A1 GLU 296 HG3 0.18 -0.05 0.03 -0.04 2.34 2.45 2oa6A1 GLY 297 H -0.02 0.53 -0.27 -0.55 8.43 8.13 2oa6A1 GLY 297 HA2 0.09 -0.03 0.38 -0.51 4.01 3.94 2oa6A1 GLY 297 HA3 -0.02 0.11 0.32 -0.51 4.01 3.91 2oa6A1 LEU 298 H -0.21 0.39 -0.25 -0.55 8.37 7.74 2oa6A1 LEU 298 HA -0.14 0.02 0.44 -0.75 4.35 3.92 2oa6A1 LEU 298 HB2 -0.14 0.21 0.17 -0.04 1.64 1.83 2oa6A1 LEU 298 HB3 -0.19 -0.08 0.01 -0.04 1.64 1.34 2oa6A1 LEU 298 HG -0.76 0.16 -0.00 -0.04 1.64 1.00 2oa6A1 LEU 298 HD13 -0.08 -0.02 -0.08 -0.04 0.93 0.70 2oa6A1 LEU 298 HD23 -0.16 -0.01 -0.02 -0.04 0.89 0.66 2oa6A1 GLU 299 H -0.25 0.46 -0.19 -0.55 8.60 8.08 2oa6A1 GLU 299 HA -0.82 -0.04 0.42 -0.75 4.29 3.09 2oa6A1 GLU 299 HB2 -0.51 -0.03 0.16 -0.04 2.09 1.67 2oa6A1 GLU 299 HB3 -0.53 0.29 0.26 -0.04 1.99 1.97 2oa6A1 GLU 299 HG2 -1.27 -0.00 -0.15 -0.04 2.34 0.88 2oa6A1 GLU 299 HG3 -2.75 -0.08 0.06 -0.04 2.34 -0.48 2oa6A1 TYR 300 H -0.13 0.49 -0.13 -0.55 8.29 7.97 2oa6A1 TYR 300 HA -0.16 -0.02 0.51 -0.75 4.56 4.14 2oa6A1 TYR 300 HB2 -0.07 0.11 0.15 -0.04 3.06 3.21 2oa6A1 TYR 300 HB3 -0.07 0.06 0.10 -0.04 2.98 3.03 2oa6A1 TYR 300 HD2 -0.08 0.05 0.02 -0.04 7.15 7.11 2oa6A1 TYR 300 HE2 -0.06 0.02 -0.06 -0.04 6.85 6.71 2oa6A1 GLN 301 H -0.07 0.33 -0.24 -0.55 8.47 7.94 2oa6A1 GLN 301 HA -0.11 0.11 0.60 -0.75 4.36 4.20 2oa6A1 GLN 301 HB2 -0.05 0.10 0.20 -0.04 2.15 2.35 2oa6A1 GLN 301 HB3 0.03 -0.11 0.02 -0.04 2.02 1.91 2oa6A1 GLN 301 HG2 0.15 0.18 0.11 -0.04 2.40 2.80 2oa6A1 GLN 301 HG3 0.07 0.14 0.04 -0.04 2.39 2.61 2oa6A1 GLN 301 HE21 0.15 -0.06 -0.35 -0.04 6.97 6.68 2oa6A1 GLN 301 HE22 0.16 0.00 -0.10 -0.04 7.69 7.72 2oa6A1 MET 302 H -0.19 0.56 -0.12 -0.55 8.47 8.18 2oa6A1 MET 302 HA -0.01 0.02 0.47 -0.75 4.52 4.24 2oa6A1 MET 302 HB2 -0.22 0.15 0.21 -0.04 2.15 2.25 2oa6A1 MET 302 HB3 -0.47 -0.05 -0.03 -0.04 2.03 1.44 2oa6A1 MET 302 HG2 -0.31 -0.05 0.02 -0.04 2.63 2.24 2oa6A1 MET 302 HG3 -0.22 0.09 0.04 -0.04 2.56 2.43 2oa6A1 MET 302 HE3 -0.52 0.03 -0.14 -0.04 2.10 1.43 2oa6A1 SER 303 H -0.10 0.55 0.02 -0.55 8.46 8.38 2oa6A1 SER 303 HA 0.14 0.03 0.33 -0.75 4.49 4.23 2oa6A1 SER 303 HB2 0.06 -0.07 -0.47 -0.04 3.95 3.43 2oa6A1 SER 303 HB3 0.07 -0.09 -0.14 -0.04 3.93 3.74 2oa6A1 GLY 304 H -0.08 0.70 -0.19 -0.55 8.43 8.32 2oa6A1 GLY 304 HA2 -0.06 -0.08 0.39 -0.51 4.01 3.75 2oa6A1 GLY 304 HA3 -0.24 0.30 0.32 -0.51 4.01 3.89 2oa6A1 ASN 305 H -0.26 0.65 -0.22 -0.55 8.53 8.15 2oa6A1 ASN 305 HA -0.20 -0.05 0.39 -0.75 4.76 4.15 2oa6A1 ASN 305 HB2 -0.15 0.05 0.16 -0.04 2.88 2.90 2oa6A1 ASN 305 HB3 0.06 0.13 0.16 -0.04 2.79 3.11 2oa6A1 ASN 305 HD21 0.29 0.12 0.05 -0.04 7.03 7.45 2oa6A1 ASN 305 HD22 0.25 0.04 -0.07 -0.04 7.74 7.91 2oa6A1 GLU 306 H 0.09 0.45 -0.35 -0.55 8.60 8.24 2oa6A1 GLU 306 HA 0.15 0.02 0.48 -0.75 4.29 4.19 2oa6A1 GLU 306 HB2 0.26 0.02 0.08 -0.04 2.09 2.42 2oa6A1 GLU 306 HB3 0.15 0.15 0.13 -0.04 1.99 2.38 2oa6A1 GLU 306 HG2 0.18 0.01 -0.19 -0.04 2.34 2.30 2oa6A1 GLU 306 HG3 0.33 -0.04 0.03 -0.04 2.34 2.62 2oa6A1 LEU 307 H 0.05 0.52 -0.08 -0.55 8.37 8.32 2oa6A1 LEU 307 HA -0.01 0.05 0.45 -0.75 4.35 4.08 2oa6A1 LEU 307 HB2 0.03 -0.01 0.10 -0.04 1.64 1.72 2oa6A1 LEU 307 HB3 0.04 0.13 0.14 -0.04 1.64 1.91 2oa6A1 LEU 307 HG 0.02 -0.02 -0.23 -0.04 1.64 1.37 2oa6A1 LEU 307 HD13 -0.00 -0.01 0.02 -0.04 0.93 0.90 2oa6A1 LEU 307 HD23 0.03 -0.01 -0.06 -0.04 0.89 0.81 2oa6A1 TRP 308 H 0.19 0.54 -0.14 -0.55 7.97 8.01 2oa6A1 TRP 308 HA -0.02 0.01 0.37 -0.75 4.62 4.23 2oa6A1 TRP 308 HB2 0.06 0.03 0.07 -0.04 3.23 3.34 2oa6A1 TRP 308 HB3 0.05 0.10 0.12 -0.04 3.23 3.46 2oa6A1 TRP 308 HD1 0.06 0.01 0.01 -0.04 7.22 7.25 2oa6A1 TRP 308 HE1 0.00 -0.02 -0.00 -0.04 10.20 10.14 2oa6A1 TRP 308 HE3 0.18 0.15 -0.07 -0.04 7.59 7.81 2oa6A1 TRP 308 HZ2 -0.15 -0.04 -0.03 -0.04 7.44 7.18 2oa6A1 TRP 308 HZ3 0.26 0.01 -0.05 -0.04 7.13 7.30 2oa6A1 TRP 308 HH2 -0.18 0.02 -0.06 -0.04 7.19 6.92 2oa6A1 SER 309 H 0.17 0.60 -0.19 -0.55 8.46 8.49 2oa6A1 SER 309 HA -0.47 -0.04 0.41 -0.75 4.49 3.64 2oa6A1 SER 309 HB2 -0.07 0.09 0.09 -0.04 3.95 4.02 2oa6A1 SER 309 HB3 0.20 -0.04 0.03 -0.04 3.93 4.07 2oa6A1 GLN 310 H -0.34 0.35 -0.43 -0.55 8.47 7.51 2oa6A1 GLN 310 HA -0.72 0.05 0.53 -0.75 4.36 3.48 2oa6A1 GLN 310 HB2 -0.19 0.09 0.14 -0.04 2.15 2.15 2oa6A1 GLN 310 HB3 -0.16 -0.08 0.07 -0.04 2.02 1.82 2oa6A1 GLN 310 HG2 -0.40 -0.06 0.03 -0.04 2.40 1.93 2oa6A1 GLN 310 HG3 -0.57 0.20 0.09 -0.04 2.39 2.06 2oa6A1 GLN 310 HE21 0.12 -0.04 -0.04 -0.04 6.97 6.97 2oa6A1 GLN 310 HE22 0.36 -0.01 -0.01 -0.04 7.69 7.98 2oa6A1 THR 311 H -0.30 0.24 -0.30 -0.55 8.28 7.37 2oa6A1 THR 311 HA -0.14 0.24 1.08 -0.75 4.39 4.82 2oa6A1 THR 311 HB -0.09 -0.10 0.10 -0.04 4.32 4.19 2oa6A1 THR 311 HG23 -0.07 0.01 -0.15 -0.04 1.22 0.97 2oa6A1 THR 312 H -0.62 0.46 0.07 -0.55 8.28 7.64 2oa6A1 THR 312 HA -0.33 0.08 0.56 -0.75 4.39 3.94 2oa6A1 THR 312 HB -1.72 0.09 0.13 -0.04 4.32 2.77 2oa6A1 THR 312 HG23 -1.55 -0.00 -0.01 -0.04 1.22 -0.38 2oa6A1 LEU 313 H -0.18 0.18 0.20 -0.55 8.37 8.02 2oa6A1 LEU 313 HA -0.10 0.15 0.52 -0.75 4.35 4.17 2oa6A1 LEU 313 HB2 -0.09 -0.00 0.04 -0.04 1.64 1.55 2oa6A1 LEU 313 HB3 -0.05 0.00 0.07 -0.04 1.64 1.62 2oa6A1 LEU 313 HG -0.07 0.04 0.01 -0.04 1.64 1.57 2oa6A1 LEU 313 HD13 -0.11 0.00 0.08 -0.04 0.93 0.86 2oa6A1 LEU 313 HD23 -0.06 -0.01 -0.02 -0.04 0.89 0.76 2oa6A1 ARG 314 H -0.25 0.04 -0.15 -0.55 8.46 7.55 2oa6A1 ARG 314 HA -0.05 0.06 0.36 -0.75 4.34 3.96 2oa6A1 ARG 314 HB2 -0.05 0.00 0.08 -0.04 1.90 1.88 2oa6A1 ARG 314 HB3 -0.49 -0.01 -0.00 -0.04 1.80 1.26 2oa6A1 ARG 314 HG2 0.09 -0.03 -0.05 -0.04 1.67 1.63 2oa6A1 ARG 314 HG3 -0.21 0.07 -0.24 -0.04 1.67 1.25 2oa6A1 ARG 314 HD2 0.15 0.03 0.01 -0.04 3.22 3.37 2oa6A1 ARG 314 HD3 0.03 0.00 0.08 -0.04 3.22 3.29 2oa6A1 TYR 315 H -0.20 0.19 -0.69 -0.55 8.29 7.03 2oa6A1 TYR 315 HA -0.03 0.18 0.88 -0.75 4.56 4.84 2oa6A1 TYR 315 HB2 -0.13 0.13 -0.02 -0.04 3.06 2.99 2oa6A1 TYR 315 HB3 -0.03 0.14 0.18 -0.04 2.98 3.23 2oa6A1 TYR 315 HD2 -0.08 0.25 -0.14 -0.04 7.15 7.13 2oa6A1 TYR 315 HE2 0.12 -0.02 -0.04 -0.04 6.85 6.87 2oa6A1 SER 316 H 0.01 0.46 -0.24 -0.55 8.46 8.14 2oa6A1 SER 316 HA 0.03 0.10 0.53 -0.75 4.49 4.39 2oa6A1 SER 316 HB2 -0.03 0.03 0.11 -0.04 3.95 4.02 2oa6A1 SER 316 HB3 -0.01 0.11 0.14 -0.04 3.93 4.13 2oa6A1 VAL 317 H 0.02 0.12 0.06 -0.55 8.24 7.90 2oa6A1 VAL 317 HA 0.02 -0.01 0.18 -0.75 4.13 3.57 2oa6A1 VAL 317 HB 0.04 0.30 -0.05 -0.04 2.12 2.37 2oa6A1 VAL 317 HG13 0.04 -0.01 0.03 -0.04 0.97 0.99 2oa6A1 VAL 317 HG23 0.02 -0.03 -0.13 -0.04 0.95 0.77