============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 35 rings ring int. center anis. iso. PHE 5 1.000 28.874 -16.143 -39.011 -99.200 -91.000 HIS 6 0.900 25.766 -9.365 -42.657 -99.200 -91.000 TYR 44 0.840 -2.370 -29.435 -34.932 -99.200 -91.000 HIS 50 0.900 12.210 -31.724 -38.484 -99.200 -91.000 PHE 61 1.000 8.236 -29.126 -20.994 -99.200 -91.000 PHE 75 1.000 3.269 -28.901 -25.851 -99.200 -91.000 PHE 86 1.000 11.196 -48.155 -19.689 -99.200 -91.000 HIS 102 0.900 4.659 -51.389 -30.257 -99.200 -91.000 PHE 114 1.000 1.193 -27.662 -30.872 -99.200 -91.000 TYR 121 0.840 -2.604 -17.645 -22.467 -99.200 -91.000 PHE 133 1.000 -7.119 -32.308 -44.910 -99.200 -91.000 PHE 140 1.000 6.659 -33.143 -46.772 -99.200 -91.000 TYR 153 0.840 19.942 -39.433 -36.815 -99.200 -91.000 HIS 161 0.900 8.162 -50.880 -35.392 -99.200 -91.000 PHE 168 1.000 7.234 -41.607 -42.156 -99.200 -91.000 TRP 169 1.040 12.616 -48.158 -46.112 -99.200 -91.000 TRP6 169 1.020 13.487 -46.521 -44.642 -99.200 -91.000 PHE 200 1.000 -3.241 -37.707 -29.925 -99.200 -91.000 TYR 201 0.840 -5.026 -35.971 -25.925 -99.200 -91.000 TYR 227 0.840 -1.261 -35.244 -21.769 -99.200 -91.000 TYR 239 0.840 24.249 -13.350 -16.858 -99.200 -91.000 TYR 242 0.840 20.439 -7.728 -20.739 -99.200 -91.000 TYR 245 0.840 10.239 -13.941 -17.245 -99.200 -91.000 HIS 255 0.900 19.596 -27.952 -13.223 -99.200 -91.000 PHE 266 1.000 33.327 -16.804 -11.683 -99.200 -91.000 TYR 270 0.840 37.380 -13.959 -17.149 -99.200 -91.000 PHE 272 1.000 32.203 -17.730 -28.768 -99.200 -91.000 TYR 285 0.840 30.542 -26.975 -8.615 -99.200 -91.000 TYR 287 0.840 24.026 -30.558 -17.425 -99.200 -91.000 TYR 293 0.840 18.932 -31.543 -4.607 -99.200 -91.000 PHE 299 1.000 3.105 -38.279 -10.334 -99.200 -91.000 TRP 304 1.040 10.272 -23.681 -7.035 -99.200 -91.000 TRP6 304 1.020 10.169 -21.321 -7.109 -99.200 -91.000 TYR 312 0.840 23.183 -24.269 -4.505 -99.200 -91.000 TYR 339 0.840 22.611 -21.533 0.100 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2dg5A1 GLU 37 HA 0.07 0.03 0.19 -0.75 4.29 3.82 2dg5A1 GLU 37 HB2 0.02 -0.04 -0.01 -0.04 2.09 2.02 2dg5A1 GLU 37 HB3 0.02 0.01 -0.02 -0.04 1.99 1.96 2dg5A1 GLU 37 HG2 0.01 -0.01 0.01 -0.04 2.34 2.31 2dg5A1 GLU 37 HG3 0.01 0.02 0.04 -0.04 2.34 2.36 2dg5A1 GLU 38 H 0.02 0.19 0.09 -0.55 8.60 8.35 2dg5A1 GLU 38 HA -0.00 0.10 0.50 -0.75 4.29 4.13 2dg5A1 GLU 38 HB2 -0.00 -0.02 0.12 -0.04 2.09 2.15 2dg5A1 GLU 38 HB3 0.00 -0.02 0.09 -0.04 1.99 2.02 2dg5A1 GLU 38 HG2 0.00 0.03 -0.13 -0.04 2.34 2.20 2dg5A1 GLU 38 HG3 0.01 -0.02 -0.01 -0.04 2.34 2.27 2dg5A1 ASP 39 H 0.01 0.12 -0.41 -0.55 8.40 7.57 2dg5A1 ASP 39 HA -0.09 0.06 0.66 -0.75 4.63 4.50 2dg5A1 ASP 39 HB2 -0.11 0.02 -0.05 -0.04 2.71 2.52 2dg5A1 ASP 39 HB3 -0.29 0.13 -0.11 -0.04 2.70 2.39 2dg5A1 VAL 40 H -0.18 0.08 0.19 -0.55 8.24 7.77 2dg5A1 VAL 40 HA -0.29 0.17 0.64 -0.75 4.13 3.91 2dg5A1 VAL 40 HB -0.41 -0.04 0.11 -0.04 2.12 1.74 2dg5A1 VAL 40 HG13 -0.83 -0.01 -0.07 -0.04 0.97 0.03 2dg5A1 VAL 40 HG23 -0.15 0.02 -0.01 -0.04 0.95 0.76 2dg5A1 PHE 41 H -0.19 0.03 0.07 -0.55 8.34 7.71 2dg5A1 PHE 41 HA -0.13 0.17 0.86 -0.75 4.62 4.76 2dg5A1 PHE 41 HB2 -0.11 -0.03 0.08 -0.04 3.15 3.05 2dg5A1 PHE 41 HB3 -0.07 0.04 -0.05 -0.04 3.06 2.93 2dg5A1 PHE 41 HD2 -0.07 0.00 -0.00 -0.04 7.28 7.17 2dg5A1 PHE 41 HE2 -0.05 0.00 -0.03 -0.04 7.38 7.26 2dg5A1 PHE 41 HZ -0.03 -0.00 -0.04 -0.04 7.32 7.21 2dg5A1 HIS 42 H 0.11 0.19 0.08 -0.55 8.41 8.24 2dg5A1 HIS 42 HA 0.05 0.23 0.94 -0.75 4.63 5.09 2dg5A1 HIS 42 HB2 0.02 -0.05 0.04 -0.04 3.26 3.23 2dg5A1 HIS 42 HB3 0.02 0.10 -0.05 -0.04 3.20 3.23 2dg5A1 HIS 42 HD2 0.00 0.00 -0.09 -0.04 6.97 6.84 2dg5A1 HIS 42 HE1 -0.05 0.04 -0.11 -0.04 7.75 7.60 2dg5A1 PRO 43 HA 0.06 0.05 0.55 -0.51 4.44 4.58 2dg5A1 PRO 43 HB2 0.03 0.17 0.02 -0.04 2.28 2.46 2dg5A1 PRO 43 HB3 0.03 -0.01 0.06 -0.04 2.02 2.06 2dg5A1 PRO 43 HG2 0.06 0.03 -0.02 -0.04 2.03 2.05 2dg5A1 PRO 43 HG3 0.04 0.03 0.03 -0.04 2.03 2.09 2dg5A1 PRO 43 HD2 0.12 0.08 0.21 -0.04 3.68 4.05 2dg5A1 PRO 43 HD3 0.06 0.16 0.10 -0.04 3.65 3.92 2dg5A1 VAL 44 H 0.03 0.07 0.16 -0.55 8.24 7.95 2dg5A1 VAL 44 HA 0.03 0.07 0.55 -0.75 4.13 4.02 2dg5A1 VAL 44 HB 0.02 -0.01 0.08 -0.04 2.12 2.16 2dg5A1 VAL 44 HG13 0.01 0.01 -0.09 -0.04 0.97 0.86 2dg5A1 VAL 44 HG23 0.02 -0.00 0.05 -0.04 0.95 0.98 2dg5A1 ARG 45 H 0.01 0.15 0.16 -0.55 8.46 8.24 2dg5A1 ARG 45 HA 0.02 0.23 0.96 -0.75 4.34 4.79 2dg5A1 ARG 45 HB2 0.01 -0.04 0.03 -0.04 1.90 1.86 2dg5A1 ARG 45 HB3 0.01 -0.00 -0.03 -0.04 1.80 1.74 2dg5A1 ARG 45 HG2 0.02 0.05 -0.18 -0.04 1.67 1.52 2dg5A1 ARG 45 HG3 0.03 0.13 -0.37 -0.04 1.67 1.42 2dg5A1 ARG 45 HD2 0.03 0.02 -0.07 -0.04 3.22 3.15 2dg5A1 ARG 45 HD3 0.01 -0.03 -0.05 -0.04 3.22 3.10 2dg5A1 ALA 46 H 0.01 0.37 0.16 -0.55 8.40 8.40 2dg5A1 ALA 46 HA 0.00 0.07 0.61 -0.75 4.34 4.27 2dg5A1 ALA 46 HB3 0.00 0.01 -0.07 -0.04 1.41 1.31 2dg5A1 LYS 47 H 0.00 0.09 0.14 -0.55 8.42 8.10 2dg5A1 LYS 47 HA 0.01 0.26 0.91 -0.75 4.32 4.75 2dg5A1 LYS 47 HB2 0.00 -0.03 0.08 -0.04 1.87 1.88 2dg5A1 LYS 47 HB3 0.00 0.04 0.07 -0.04 1.79 1.85 2dg5A1 LYS 47 HG2 0.00 0.06 -0.10 -0.04 1.46 1.38 2dg5A1 LYS 47 HG3 0.00 -0.03 -0.06 -0.04 1.46 1.33 2dg5A1 LYS 47 HD2 0.00 0.02 0.00 -0.04 1.69 1.67 2dg5A1 LYS 47 HD3 0.00 0.00 -0.02 -0.04 1.68 1.62 2dg5A1 LYS 47 HE2 0.00 -0.01 -0.00 -0.04 2.99 2.94 2dg5A1 LYS 47 HE3 0.00 0.01 -0.01 -0.04 2.99 2.95 2dg5A1 GLN 48 H 0.00 -0.04 0.03 -0.55 8.47 7.92 2dg5A1 GLN 48 HA 0.00 0.28 1.04 -0.75 4.36 4.92 2dg5A1 GLN 48 HB2 0.00 -0.08 0.14 -0.04 2.15 2.17 2dg5A1 GLN 48 HB3 0.00 0.06 -0.01 -0.04 2.02 2.03 2dg5A1 GLN 48 HG2 0.00 0.08 -0.14 -0.04 2.40 2.30 2dg5A1 GLN 48 HG3 0.00 -0.13 -0.08 -0.04 2.39 2.14 2dg5A1 GLN 48 HE21 0.00 0.03 0.00 -0.04 6.97 6.96 2dg5A1 GLN 48 HE22 0.00 -0.05 0.01 -0.04 7.69 7.61 2dg5A1 GLY 49 H 0.00 0.11 0.04 -0.55 8.43 8.03 2dg5A1 GLY 49 HA2 0.00 0.29 0.73 -0.51 4.01 4.53 2dg5A1 GLY 49 HA3 -0.00 0.06 0.16 -0.51 4.01 3.72 2dg5A1 VAL 51 HA -0.01 -0.05 0.22 -0.75 4.13 3.54 2dg5A1 VAL 51 HB -0.01 0.01 0.02 -0.04 2.12 2.10 2dg5A1 VAL 51 HG13 -0.01 -0.02 -0.19 -0.04 0.97 0.71 2dg5A1 VAL 51 HG23 -0.01 -0.04 -0.14 -0.04 0.95 0.72 2dg5A1 ALA 52 H -0.01 0.20 0.08 -0.55 8.40 8.13 2dg5A1 ALA 52 HA -0.01 0.15 0.86 -0.75 4.34 4.58 2dg5A1 ALA 52 HB3 -0.00 0.02 0.02 -0.04 1.41 1.40 2dg5A1 SER 53 H -0.02 0.28 0.11 -0.55 8.46 8.29 2dg5A1 SER 53 HA -0.03 0.22 0.62 -0.75 4.49 4.54 2dg5A1 SER 53 HB2 -0.04 0.02 0.10 -0.04 3.95 3.99 2dg5A1 SER 53 HB3 -0.03 0.07 -0.32 -0.04 3.93 3.61 2dg5A1 VAL 54 H -0.10 0.20 0.11 -0.55 8.24 7.90 2dg5A1 VAL 54 HA -0.08 0.16 0.46 -0.75 4.13 3.91 2dg5A1 VAL 54 HB -0.15 0.05 0.10 -0.04 2.12 2.09 2dg5A1 VAL 54 HG13 -0.64 -0.01 -0.12 -0.04 0.97 0.16 2dg5A1 VAL 54 HG23 -0.12 0.01 0.09 -0.04 0.95 0.89 2dg5A1 ASP 55 H -0.10 0.08 -0.43 -0.55 8.40 7.41 2dg5A1 ASP 55 HA -0.06 0.21 0.98 -0.75 4.63 5.00 2dg5A1 ASP 55 HB2 -0.15 0.13 -0.20 -0.04 2.71 2.45 2dg5A1 ASP 55 HB3 -0.09 -0.06 0.01 -0.04 2.70 2.52 2dg5A1 ALA 56 H -0.03 0.22 0.13 -0.55 8.40 8.17 2dg5A1 ALA 56 HA -0.02 0.13 0.34 -0.75 4.34 4.04 2dg5A1 ALA 56 HB3 -0.01 0.03 0.11 -0.04 1.41 1.51 2dg5A1 THR 57 H -0.05 0.10 -0.10 -0.55 8.28 7.69 2dg5A1 THR 57 HA -0.03 0.12 0.39 -0.75 4.39 4.11 2dg5A1 THR 57 HB -0.14 -0.04 0.04 -0.04 4.32 4.13 2dg5A1 THR 57 HG23 -0.08 0.03 -0.13 -0.04 1.22 1.00 2dg5A1 ALA 58 H -0.07 0.06 -0.30 -0.55 8.40 7.55 2dg5A1 ALA 58 HA -0.03 0.08 0.35 -0.75 4.34 3.98 2dg5A1 ALA 58 HB3 -0.04 0.03 -0.01 -0.04 1.41 1.35 2dg5A1 THR 59 H -0.03 0.52 -0.20 -0.55 8.28 8.01 2dg5A1 THR 59 HA -0.02 0.02 0.32 -0.75 4.39 3.96 2dg5A1 THR 59 HB -0.02 0.10 0.11 -0.04 4.32 4.47 2dg5A1 THR 59 HG23 -0.01 0.02 -0.17 -0.04 1.22 1.02 2dg5A1 GLN 60 H -0.02 0.53 -0.14 -0.55 8.47 8.29 2dg5A1 GLN 60 HA -0.01 0.03 0.40 -0.75 4.36 4.03 2dg5A1 GLN 60 HB2 -0.01 0.10 0.13 -0.04 2.15 2.33 2dg5A1 GLN 60 HB3 -0.01 -0.03 0.05 -0.04 2.02 1.98 2dg5A1 GLN 60 HG2 -0.01 -0.03 0.02 -0.04 2.40 2.35 2dg5A1 GLN 60 HG3 -0.01 0.27 0.13 -0.04 2.39 2.73 2dg5A1 GLN 60 HE21 0.00 -0.02 -0.03 -0.04 6.97 6.88 2dg5A1 GLN 60 HE22 -0.00 0.02 -0.01 -0.04 7.69 7.65 2dg5A1 VAL 61 H -0.02 0.40 -0.30 -0.55 8.24 7.78 2dg5A1 VAL 61 HA -0.01 0.02 0.40 -0.75 4.13 3.79 2dg5A1 VAL 61 HB -0.01 0.14 0.13 -0.04 2.12 2.34 2dg5A1 VAL 61 HG13 0.00 -0.01 -0.21 -0.04 0.97 0.71 2dg5A1 VAL 61 HG23 -0.01 0.04 -0.03 -0.04 0.95 0.91 2dg5A1 GLY 62 H -0.02 0.49 -0.18 -0.55 8.43 8.18 2dg5A1 GLY 62 HA2 -0.02 0.00 0.42 -0.51 4.01 3.90 2dg5A1 GLY 62 HA3 -0.02 0.07 0.29 -0.51 4.01 3.84 2dg5A1 VAL 63 H -0.01 0.58 -0.11 -0.55 8.24 8.15 2dg5A1 VAL 63 HA -0.01 0.01 0.36 -0.75 4.13 3.74 2dg5A1 VAL 63 HB -0.01 0.05 0.12 -0.04 2.12 2.25 2dg5A1 VAL 63 HG13 -0.00 -0.02 -0.11 -0.04 0.97 0.79 2dg5A1 VAL 63 HG23 -0.01 0.05 -0.05 -0.04 0.95 0.91 2dg5A1 ASP 64 H -0.01 0.60 -0.22 -0.55 8.40 8.23 2dg5A1 ASP 64 HA -0.00 -0.00 0.40 -0.75 4.63 4.27 2dg5A1 ASP 64 HB2 -0.00 0.13 0.16 -0.04 2.71 2.96 2dg5A1 ASP 64 HB3 -0.00 -0.05 0.00 -0.04 2.70 2.61 2dg5A1 ILE 65 H -0.01 0.50 -0.22 -0.55 8.25 7.97 2dg5A1 ILE 65 HA -0.01 0.02 0.38 -0.75 4.18 3.82 2dg5A1 ILE 65 HB -0.01 0.16 0.16 -0.04 1.89 2.15 2dg5A1 ILE 65 HG12 -0.01 0.23 0.08 -0.04 1.49 1.74 2dg5A1 ILE 65 HG13 -0.02 -0.06 0.00 -0.04 1.21 1.09 2dg5A1 ILE 65 HG23 -0.02 -0.02 -0.30 -0.04 0.93 0.55 2dg5A1 ILE 65 HD13 -0.01 -0.01 -0.03 -0.04 0.88 0.78 2dg5A1 LEU 66 H -0.01 0.49 -0.19 -0.55 8.37 8.12 2dg5A1 LEU 66 HA -0.01 0.20 0.42 -0.75 4.35 4.21 2dg5A1 LEU 66 HB2 -0.00 0.14 0.16 -0.04 1.64 1.90 2dg5A1 LEU 66 HB3 -0.00 -0.06 -0.01 -0.04 1.64 1.52 2dg5A1 LEU 66 HG -0.01 0.18 0.01 -0.04 1.64 1.78 2dg5A1 LEU 66 HD13 -0.01 -0.02 -0.05 -0.04 0.93 0.81 2dg5A1 LEU 66 HD23 -0.01 -0.01 -0.16 -0.04 0.89 0.68 2dg5A1 LYS 67 H -0.00 0.60 -0.07 -0.55 8.42 8.39 2dg5A1 LYS 67 HA -0.00 -0.01 0.39 -0.75 4.32 3.95 2dg5A1 LYS 67 HB2 -0.00 0.11 0.15 -0.04 1.87 2.09 2dg5A1 LYS 67 HB3 -0.00 -0.06 0.04 -0.04 1.79 1.73 2dg5A1 LYS 67 HG2 -0.00 -0.07 0.04 -0.04 1.46 1.39 2dg5A1 LYS 67 HG3 -0.00 0.18 0.05 -0.04 1.46 1.65 2dg5A1 LYS 67 HD2 -0.00 -0.01 -0.06 -0.04 1.69 1.58 2dg5A1 LYS 67 HD3 -0.00 -0.03 -0.00 -0.04 1.68 1.61 2dg5A1 LYS 67 HE2 -0.00 -0.03 -0.00 -0.04 2.99 2.91 2dg5A1 LYS 67 HE3 -0.00 0.01 -0.05 -0.04 2.99 2.90 2dg5A1 GLU 68 H -0.00 0.35 -0.49 -0.55 8.60 7.91 2dg5A1 GLU 68 HA -0.00 0.03 0.52 -0.75 4.29 4.09 2dg5A1 GLU 68 HB2 -0.00 0.09 0.13 -0.04 2.09 2.27 2dg5A1 GLU 68 HB3 -0.00 -0.09 0.10 -0.04 1.99 1.96 2dg5A1 GLU 68 HG2 -0.00 -0.08 0.01 -0.04 2.34 2.24 2dg5A1 GLU 68 HG3 -0.00 0.24 0.04 -0.04 2.34 2.58 2dg5A1 GLY 69 H -0.00 0.50 -0.41 -0.55 8.43 7.97 2dg5A1 GLY 69 HA2 -0.00 0.00 0.28 -0.51 4.01 3.78 2dg5A1 GLY 69 HA3 -0.00 0.11 0.84 -0.51 4.01 4.45 2dg5A1 GLY 70 H -0.01 0.49 0.07 -0.55 8.43 8.44 2dg5A1 GLY 70 HA2 -0.00 -0.01 0.50 -0.51 4.01 3.99 2dg5A1 GLY 70 HA3 -0.01 -0.03 0.24 -0.51 4.01 3.70 2dg5A1 ASN 71 H 0.00 -0.03 0.18 -0.55 8.53 8.13 2dg5A1 ASN 71 HA 0.00 0.31 0.71 -0.75 4.76 5.03 2dg5A1 ASN 71 HB2 0.01 -0.07 0.24 -0.04 2.88 3.02 2dg5A1 ASN 71 HB3 0.01 0.15 0.12 -0.04 2.79 3.03 2dg5A1 ASN 71 HD21 0.05 0.39 0.18 -0.04 7.03 7.61 2dg5A1 ASN 71 HD22 0.03 0.05 0.05 -0.04 7.74 7.83 2dg5A1 ALA 72 H -0.00 0.22 0.17 -0.55 8.40 8.24 2dg5A1 ALA 72 HA -0.01 0.12 0.40 -0.75 4.34 4.09 2dg5A1 ALA 72 HB3 -0.01 0.04 0.12 -0.04 1.41 1.52 2dg5A1 VAL 73 H 0.01 0.14 -0.14 -0.55 8.24 7.70 2dg5A1 VAL 73 HA -0.00 0.13 0.38 -0.75 4.13 3.89 2dg5A1 VAL 73 HB 0.05 0.04 -0.12 -0.04 2.12 2.05 2dg5A1 VAL 73 HG13 0.06 0.03 -0.37 -0.04 0.97 0.66 2dg5A1 VAL 73 HG23 0.04 0.02 -0.08 -0.04 0.95 0.89 2dg5A1 ASP 74 H -0.00 0.05 -0.25 -0.55 8.40 7.65 2dg5A1 ASP 74 HA -0.02 0.05 0.36 -0.75 4.63 4.27 2dg5A1 ASP 74 HB2 -0.01 0.15 0.08 -0.04 2.71 2.89 2dg5A1 ASP 74 HB3 -0.02 0.08 -0.01 -0.04 2.70 2.72 2dg5A1 ALA 75 H -0.02 0.57 -0.23 -0.55 8.40 8.17 2dg5A1 ALA 75 HA -0.03 0.02 0.42 -0.75 4.34 4.00 2dg5A1 ALA 75 HB3 -0.02 0.03 0.04 -0.04 1.41 1.42 2dg5A1 ALA 76 H -0.04 0.60 -0.16 -0.55 8.40 8.25 2dg5A1 ALA 76 HA -0.06 -0.01 0.41 -0.75 4.34 3.93 2dg5A1 ALA 76 HB3 -0.04 0.03 0.09 -0.04 1.41 1.45 2dg5A1 VAL 77 H -0.14 0.58 -0.21 -0.55 8.24 7.92 2dg5A1 VAL 77 HA -0.88 0.03 0.48 -0.75 4.13 3.00 2dg5A1 VAL 77 HB -0.11 0.11 0.12 -0.04 2.12 2.20 2dg5A1 VAL 77 HG13 -0.03 -0.02 -0.14 -0.04 0.97 0.74 2dg5A1 VAL 77 HG23 -0.16 0.03 0.02 -0.04 0.95 0.80 2dg5A1 ALA 78 H -0.08 0.49 -0.11 -0.55 8.40 8.15 2dg5A1 ALA 78 HA 0.01 0.25 0.48 -0.75 4.34 4.32 2dg5A1 ALA 78 HB3 -0.02 0.00 0.12 -0.04 1.41 1.47 2dg5A1 VAL 79 H -0.07 0.67 -0.15 -0.55 8.24 8.14 2dg5A1 VAL 79 HA -0.01 -0.01 0.43 -0.75 4.13 3.78 2dg5A1 VAL 79 HB -0.05 0.16 0.13 -0.04 2.12 2.32 2dg5A1 VAL 79 HG13 -0.01 -0.04 -0.17 -0.04 0.97 0.70 2dg5A1 VAL 79 HG23 -0.03 0.09 0.03 -0.04 0.95 1.01 2dg5A1 GLY 80 H -0.20 0.54 -0.23 -0.55 8.43 8.00 2dg5A1 GLY 80 HA2 0.09 -0.04 0.38 -0.51 4.01 3.93 2dg5A1 GLY 80 HA3 -0.21 0.11 0.30 -0.51 4.01 3.69 2dg5A1 TYR 81 H 0.08 0.58 -0.20 -0.55 8.29 8.19 2dg5A1 TYR 81 HA 0.12 0.06 0.47 -0.75 4.56 4.46 2dg5A1 TYR 81 HB2 -0.02 0.21 0.16 -0.04 3.06 3.36 2dg5A1 TYR 81 HB3 0.05 -0.07 -0.01 -0.04 2.98 2.90 2dg5A1 TYR 81 HD2 -0.01 0.11 -0.06 -0.04 7.15 7.15 2dg5A1 TYR 81 HE2 0.09 -0.02 -0.09 -0.04 6.85 6.79 2dg5A1 ALA 82 H 0.09 0.60 -0.14 -0.55 8.40 8.41 2dg5A1 ALA 82 HA 0.07 0.01 0.39 -0.75 4.34 4.06 2dg5A1 ALA 82 HB3 0.01 0.01 0.07 -0.04 1.41 1.46 2dg5A1 LEU 83 H 0.04 0.78 -0.11 -0.55 8.37 8.54 2dg5A1 LEU 83 HA 0.03 -0.11 0.37 -0.75 4.35 3.90 2dg5A1 LEU 83 HB2 0.07 0.20 0.10 -0.04 1.64 1.97 2dg5A1 LEU 83 HB3 0.10 -0.07 0.05 -0.04 1.64 1.68 2dg5A1 LEU 83 HG 0.00 0.12 0.04 -0.04 1.64 1.76 2dg5A1 LEU 83 HD13 0.02 -0.00 -0.05 -0.04 0.93 0.86 2dg5A1 LEU 83 HD23 -0.06 -0.06 -0.02 -0.04 0.89 0.71 2dg5A1 ALA 84 H 0.08 0.39 -0.61 -0.55 8.40 7.72 2dg5A1 ALA 84 HA 0.07 0.05 -0.30 -0.75 4.34 3.40 2dg5A1 ALA 84 HB3 0.05 0.07 -0.11 -0.04 1.41 1.38 2dg5A1 VAL 85 H 0.08 0.29 -0.74 -0.55 8.24 7.32 2dg5A1 VAL 85 HA 0.17 0.17 0.78 -0.75 4.13 4.49 2dg5A1 VAL 85 HB 0.05 0.06 0.10 -0.04 2.12 2.29 2dg5A1 VAL 85 HG13 0.21 -0.03 -0.29 -0.04 0.97 0.81 2dg5A1 VAL 85 HG23 0.14 0.06 -0.15 -0.04 0.95 0.95 2dg5A1 THR 86 H -0.05 0.50 0.14 -0.55 8.28 8.32 2dg5A1 THR 86 HA -0.55 0.19 0.57 -0.75 4.39 3.85 2dg5A1 THR 86 HB -0.49 -0.10 0.07 -0.04 4.32 3.77 2dg5A1 THR 86 HG23 -0.59 0.03 -0.06 -0.04 1.22 0.56 2dg5A1 HIS 87 H 0.11 0.56 -0.24 -0.55 8.41 8.29 2dg5A1 HIS 87 HA 0.05 0.13 0.81 -0.75 4.63 4.86 2dg5A1 HIS 87 HB2 -0.01 -0.09 -0.10 -0.04 3.26 3.03 2dg5A1 HIS 87 HB3 0.01 0.03 0.24 -0.04 3.20 3.44 2dg5A1 HIS 87 HD2 0.01 -0.05 0.07 -0.04 6.97 6.96 2dg5A1 HIS 87 HE1 0.01 0.04 -0.02 -0.04 7.75 7.74 2dg5A1 PRO 88 HA 0.02 0.26 0.29 -0.51 4.44 4.50 2dg5A1 PRO 88 HB2 -0.19 0.02 -0.04 -0.04 2.28 2.03 2dg5A1 PRO 88 HB3 0.20 0.10 0.01 -0.04 2.02 2.29 2dg5A1 PRO 88 HG2 -0.04 -0.04 -0.07 -0.04 2.03 1.84 2dg5A1 PRO 88 HG3 0.25 0.08 -0.05 -0.04 2.03 2.27 2dg5A1 PRO 88 HD2 0.14 0.09 -0.22 -0.04 3.68 3.65 2dg5A1 PRO 88 HD3 0.23 0.33 -0.36 -0.04 3.65 3.82 2dg5A1 GLN 89 H -0.32 -0.05 -0.61 -0.55 8.47 6.94 2dg5A1 GLN 89 HA -0.18 0.07 0.32 -0.75 4.36 3.82 2dg5A1 GLN 89 HB2 -0.77 -0.07 -0.02 -0.04 2.15 1.25 2dg5A1 GLN 89 HB3 -0.23 0.03 -0.02 -0.04 2.02 1.76 2dg5A1 GLN 89 HG2 -0.09 -0.01 -0.01 -0.04 2.40 2.25 2dg5A1 GLN 89 HG3 -0.13 0.04 -0.04 -0.04 2.39 2.22 2dg5A1 GLN 89 HE21 0.15 -0.07 -0.07 -0.04 6.97 6.94 2dg5A1 GLN 89 HE22 0.05 0.05 -0.10 -0.04 7.69 7.65 2dg5A1 ALA 90 H -0.28 0.18 -0.09 -0.55 8.40 7.66 2dg5A1 ALA 90 HA -0.05 0.19 0.70 -0.75 4.34 4.43 2dg5A1 ALA 90 HB3 0.07 -0.03 -0.09 -0.04 1.41 1.32 2dg5A1 GLY 91 H 0.13 0.22 0.21 -0.55 8.43 8.45 2dg5A1 GLY 91 HA2 0.10 -0.01 0.41 -0.51 4.01 4.00 2dg5A1 GLY 91 HA3 0.12 0.01 -0.10 -0.51 4.01 3.52 2dg5A1 ASN 92 H 0.02 0.20 0.12 -0.55 8.53 8.33 2dg5A1 ASN 92 HA 0.02 0.18 0.64 -0.75 4.76 4.84 2dg5A1 ASN 92 HB2 -0.02 -0.26 -0.01 -0.04 2.88 2.54 2dg5A1 ASN 92 HB3 -0.01 0.35 -0.68 -0.04 2.79 2.41 2dg5A1 ASN 92 HD21 -0.01 -0.02 -0.04 -0.04 7.03 6.92 2dg5A1 ASN 92 HD22 0.00 0.66 -0.01 -0.04 7.74 8.35 2dg5A1 LEU 93 H -0.01 0.06 0.22 -0.55 8.37 8.09 2dg5A1 LEU 93 HA -0.25 0.13 0.74 -0.75 4.35 4.21 2dg5A1 LEU 93 HB2 0.08 0.04 0.02 -0.04 1.64 1.74 2dg5A1 LEU 93 HB3 -0.02 -0.01 0.04 -0.04 1.64 1.61 2dg5A1 LEU 93 HG 0.05 0.03 -0.17 -0.04 1.64 1.51 2dg5A1 LEU 93 HD13 0.17 0.00 -0.09 -0.04 0.93 0.97 2dg5A1 LEU 93 HD23 -0.18 0.04 -0.09 -0.04 0.89 0.62 2dg5A1 GLY 94 H -0.00 -0.06 0.14 -0.55 8.43 7.96 2dg5A1 GLY 94 HA2 0.12 0.21 0.72 -0.51 4.01 4.54 2dg5A1 GLY 94 HA3 0.04 0.06 0.36 -0.51 4.01 3.97 2dg5A1 GLY 95 H -0.08 -0.03 -0.47 -0.55 8.43 7.29 2dg5A1 GLY 95 HA2 -0.04 0.31 0.84 -0.51 4.01 4.61 2dg5A1 GLY 95 HA3 -0.05 0.07 0.31 -0.51 4.01 3.83 2dg5A1 GLY 96 H -0.07 0.38 0.20 -0.55 8.43 8.40 2dg5A1 GLY 96 HA2 0.01 -0.01 0.60 -0.51 4.01 4.11 2dg5A1 GLY 96 HA3 -0.12 0.04 0.40 -0.51 4.01 3.82 2dg5A1 GLY 97 H -0.75 0.50 -0.10 -0.55 8.43 7.53 2dg5A1 GLY 97 HA2 -0.47 0.08 0.35 -0.51 4.01 3.47 2dg5A1 GLY 97 HA3 -0.51 0.09 0.36 -0.51 4.01 3.44 2dg5A1 PHE 98 H -0.27 0.29 0.08 -0.55 8.34 7.89 2dg5A1 PHE 98 HA -0.47 0.34 0.84 -0.75 4.62 4.58 2dg5A1 PHE 98 HB2 -0.13 -0.02 0.05 -0.04 3.15 3.00 2dg5A1 PHE 98 HB3 -0.10 0.08 0.07 -0.04 3.06 3.07 2dg5A1 PHE 98 HD2 -0.13 0.04 -0.07 -0.04 7.28 7.08 2dg5A1 PHE 98 HE2 -0.07 0.05 -0.08 -0.04 7.38 7.23 2dg5A1 PHE 98 HZ -0.06 0.06 -0.23 -0.04 7.32 7.05 2dg5A1 LEU 100 HA 0.02 0.05 0.40 -0.75 4.35 4.07 2dg5A1 LEU 100 HB2 0.03 -0.08 0.02 -0.04 1.64 1.57 2dg5A1 LEU 100 HB3 0.02 -0.03 0.09 -0.04 1.64 1.68 2dg5A1 LEU 100 HG -0.02 -0.01 -0.30 -0.04 1.64 1.26 2dg5A1 LEU 100 HD13 0.00 0.04 -0.11 -0.04 0.93 0.83 2dg5A1 LEU 100 HD23 0.04 -0.02 -0.10 -0.04 0.89 0.76 2dg5A1 ILE 101 H -0.07 0.64 0.31 -0.55 8.25 8.58 2dg5A1 ILE 101 HA -0.07 0.16 0.98 -0.75 4.18 4.49 2dg5A1 ILE 101 HB -0.30 -0.04 0.08 -0.04 1.89 1.59 2dg5A1 ILE 101 HG12 -0.05 0.03 -0.15 -0.04 1.49 1.28 2dg5A1 ILE 101 HG13 -0.03 0.01 -0.30 -0.04 1.21 0.85 2dg5A1 ILE 101 HG23 -0.29 -0.02 -0.15 -0.04 0.93 0.43 2dg5A1 ILE 101 HD13 -0.11 -0.02 -0.12 -0.04 0.88 0.60 2dg5A1 ARG 102 H -0.09 0.22 0.08 -0.55 8.46 8.12 2dg5A1 ARG 102 HA -0.15 0.37 0.97 -0.75 4.34 4.78 2dg5A1 ARG 102 HB2 -0.14 -0.00 -0.11 -0.04 1.90 1.60 2dg5A1 ARG 102 HB3 -0.08 -0.04 0.08 -0.04 1.80 1.71 2dg5A1 ARG 102 HG2 -0.09 0.09 -0.28 -0.04 1.67 1.36 2dg5A1 ARG 102 HG3 -0.17 0.07 -0.28 -0.04 1.67 1.25 2dg5A1 ARG 102 HD2 -0.25 -0.01 -0.07 -0.04 3.22 2.85 2dg5A1 ARG 102 HD3 -0.08 -0.04 -0.06 -0.04 3.22 3.00 2dg5A1 SER 103 H -0.11 0.66 0.13 -0.55 8.46 8.60 2dg5A1 SER 103 HA -0.04 0.08 0.56 -0.75 4.49 4.33 2dg5A1 SER 103 HB2 -0.03 -0.12 0.10 -0.04 3.95 3.86 2dg5A1 SER 103 HB3 -0.01 -0.07 0.15 -0.04 3.93 3.97 2dg5A1 LYS 104 H -0.01 0.16 0.21 -0.55 8.42 8.21 2dg5A1 LYS 104 HA -0.02 0.15 0.42 -0.75 4.32 4.12 2dg5A1 LYS 104 HB2 -0.00 0.05 0.11 -0.04 1.87 1.98 2dg5A1 LYS 104 HB3 -0.01 0.03 0.17 -0.04 1.79 1.95 2dg5A1 LYS 104 HG2 -0.00 -0.11 0.16 -0.04 1.46 1.47 2dg5A1 LYS 104 HG3 -0.00 0.04 -0.09 -0.04 1.46 1.37 2dg5A1 LYS 104 HD2 0.00 0.03 0.02 -0.04 1.69 1.70 2dg5A1 LYS 104 HD3 0.00 0.01 0.07 -0.04 1.68 1.72 2dg5A1 LYS 104 HE2 0.01 -0.02 0.05 -0.04 2.99 2.99 2dg5A1 LYS 104 HE3 0.01 0.00 0.01 -0.04 2.99 2.97 2dg5A1 ASN 105 H -0.01 -0.03 -0.39 -0.55 8.53 7.56 2dg5A1 ASN 105 HA -0.01 0.21 0.64 -0.75 4.76 4.85 2dg5A1 ASN 105 HB2 -0.00 0.05 0.14 -0.04 2.88 3.03 2dg5A1 ASN 105 HB3 0.00 -0.01 0.05 -0.04 2.79 2.79 2dg5A1 ASN 105 HD21 0.02 0.02 -0.01 -0.04 7.03 7.02 2dg5A1 ASN 105 HD22 0.01 0.04 0.01 -0.04 7.74 7.76 2dg5A1 GLY 106 H -0.04 0.59 -0.48 -0.55 8.43 7.96 2dg5A1 GLY 106 HA2 -0.06 0.06 0.23 -0.51 4.01 3.73 2dg5A1 GLY 106 HA3 -0.03 0.16 0.61 -0.51 4.01 4.23 2dg5A1 ASN 107 H -0.04 -0.02 -0.32 -0.55 8.53 7.61 2dg5A1 ASN 107 HA -0.05 0.08 0.43 -0.75 4.76 4.47 2dg5A1 ASN 107 HB2 -0.00 0.03 0.04 -0.04 2.88 2.91 2dg5A1 ASN 107 HB3 -0.03 -0.13 0.10 -0.04 2.79 2.69 2dg5A1 ASN 107 HD21 0.06 0.04 -0.15 -0.04 7.03 6.94 2dg5A1 ASN 107 HD22 0.00 -0.08 -0.10 -0.04 7.74 7.52 2dg5A1 THR 108 H -0.12 0.19 0.28 -0.55 8.28 8.08 2dg5A1 THR 108 HA -0.19 0.34 1.18 -0.75 4.39 4.97 2dg5A1 THR 108 HB -0.39 -0.04 0.14 -0.04 4.32 3.99 2dg5A1 THR 108 HG23 -0.36 -0.01 -0.10 -0.04 1.22 0.71 2dg5A1 THR 109 H -0.14 0.68 0.41 -0.55 8.28 8.68 2dg5A1 THR 109 HA -0.04 0.20 0.91 -0.75 4.39 4.72 2dg5A1 THR 109 HB -0.05 -0.01 -0.24 -0.04 4.32 3.97 2dg5A1 THR 109 HG23 -0.23 -0.01 -0.16 -0.04 1.22 0.78 2dg5A1 ALA 110 H 0.01 0.55 0.32 -0.55 8.40 8.73 2dg5A1 ALA 110 HA 0.04 0.12 1.02 -0.75 4.34 4.78 2dg5A1 ALA 110 HB3 0.02 0.04 -0.14 -0.04 1.41 1.29 2dg5A1 ILE 111 H 0.14 0.24 0.17 -0.55 8.25 8.25 2dg5A1 ILE 111 HA 0.14 0.19 0.94 -0.75 4.18 4.71 2dg5A1 ILE 111 HB 0.31 -0.03 0.06 -0.04 1.89 2.19 2dg5A1 ILE 111 HG12 0.12 -0.03 -0.22 -0.04 1.49 1.32 2dg5A1 ILE 111 HG13 0.18 -0.01 -0.12 -0.04 1.21 1.22 2dg5A1 ILE 111 HG23 0.24 0.02 -0.22 -0.04 0.93 0.92 2dg5A1 ILE 111 HD13 0.18 0.04 -0.21 -0.04 0.88 0.85 2dg5A1 ASP 112 H 0.12 0.83 0.25 -0.55 8.40 9.06 2dg5A1 ASP 112 HA -0.04 0.09 0.88 -0.75 4.63 4.81 2dg5A1 ASP 112 HB2 0.20 0.03 0.05 -0.04 2.71 2.96 2dg5A1 ASP 112 HB3 0.08 0.23 0.31 -0.04 2.70 3.29 2dg5A1 PHE 113 H -0.68 0.60 0.22 -0.55 8.34 7.93 2dg5A1 PHE 113 HA 0.05 0.25 0.86 -0.75 4.62 5.03 2dg5A1 PHE 113 HB2 -0.08 0.11 0.01 -0.04 3.15 3.15 2dg5A1 PHE 113 HB3 -0.03 -0.05 -0.06 -0.04 3.06 2.88 2dg5A1 PHE 113 HD2 -0.16 -0.08 -0.26 -0.04 7.28 6.74 2dg5A1 PHE 113 HE2 -0.13 0.03 -0.23 -0.04 7.38 7.01 2dg5A1 PHE 113 HZ 0.02 0.08 -0.16 -0.04 7.32 7.22 2dg5A1 ARG 114 H -0.24 0.12 -0.13 -0.55 8.46 7.65 2dg5A1 ARG 114 HA -0.33 -0.09 0.52 -0.75 4.34 3.69 2dg5A1 ARG 114 HB2 -0.59 -0.06 0.04 -0.04 1.90 1.25 2dg5A1 ARG 114 HB3 -0.09 0.04 0.06 -0.04 1.80 1.77 2dg5A1 ARG 114 HG2 0.05 -0.01 -0.04 -0.04 1.67 1.63 2dg5A1 ARG 114 HG3 -0.01 0.32 -0.17 -0.04 1.67 1.77 2dg5A1 ARG 114 HD2 -0.10 -0.12 0.01 -0.04 3.22 2.97 2dg5A1 ARG 114 HD3 -0.16 -0.08 -0.05 -0.04 3.22 2.89 2dg5A1 GLU 115 H -0.05 0.00 -0.00 -0.55 8.60 8.00 2dg5A1 GLU 115 HA 0.06 0.32 0.16 -0.75 4.29 4.08 2dg5A1 GLU 115 HB2 0.01 -0.03 -0.05 -0.04 2.09 1.98 2dg5A1 GLU 115 HB3 0.03 -0.06 -0.25 -0.04 1.99 1.66 2dg5A1 GLU 115 HG2 -0.02 0.13 -0.44 -0.04 2.34 1.97 2dg5A1 GLU 115 HG3 -0.07 -0.04 -0.30 -0.04 2.34 1.89 2dg5A1 ALA 117 HA 0.04 -0.04 0.23 -0.75 4.34 3.82 2dg5A1 ALA 117 HB3 -0.01 -0.01 0.03 -0.04 1.41 1.38 2dg5A1 PRO 118 HA 0.05 0.00 0.46 -0.51 4.44 4.45 2dg5A1 PRO 118 HB2 0.01 -0.03 -0.05 -0.04 2.28 2.17 2dg5A1 PRO 118 HB3 0.03 0.02 -0.11 -0.04 2.02 1.93 2dg5A1 PRO 118 HG2 0.04 0.07 0.03 -0.04 2.03 2.12 2dg5A1 PRO 118 HG3 0.05 -0.01 0.02 -0.04 2.03 2.04 2dg5A1 PRO 118 HD2 0.03 0.13 0.16 -0.04 3.68 3.96 2dg5A1 PRO 118 HD3 0.05 0.14 0.22 -0.04 3.65 4.02 2dg5A1 ALA 119 H 0.04 0.05 0.19 -0.55 8.40 8.13 2dg5A1 ALA 119 HA 0.04 0.19 0.42 -0.75 4.34 4.24 2dg5A1 ALA 119 HB3 0.04 -0.01 0.10 -0.04 1.41 1.50 2dg5A1 LYS 120 H 0.01 -0.02 -0.34 -0.55 8.42 7.52 2dg5A1 LYS 120 HA -0.00 0.16 0.61 -0.75 4.32 4.33 2dg5A1 LYS 120 HB2 0.00 -0.01 0.02 -0.04 1.87 1.84 2dg5A1 LYS 120 HB3 -0.01 0.02 0.07 -0.04 1.79 1.83 2dg5A1 LYS 120 HG2 0.00 0.03 0.01 -0.04 1.46 1.46 2dg5A1 LYS 120 HG3 0.00 0.01 0.00 -0.04 1.46 1.43 2dg5A1 LYS 120 HD2 0.01 -0.12 -0.04 -0.04 1.69 1.50 2dg5A1 LYS 120 HD3 0.01 -0.02 -0.03 -0.04 1.68 1.60 2dg5A1 LYS 120 HE2 0.01 0.23 -0.74 -0.04 2.99 2.45 2dg5A1 LYS 120 HE3 0.02 -0.05 -0.18 -0.04 2.99 2.74 2dg5A1 ALA 121 H -0.01 0.42 -0.51 -0.55 8.40 7.75 2dg5A1 ALA 121 HA -0.08 0.01 0.40 -0.75 4.34 3.92 2dg5A1 ALA 121 HB3 -0.04 0.02 -0.01 -0.04 1.41 1.34 2dg5A1 THR 122 H -0.13 0.22 0.16 -0.55 8.28 7.98 2dg5A1 THR 122 HA -0.04 0.19 0.83 -0.75 4.39 4.62 2dg5A1 THR 122 HB -0.04 -0.14 0.05 -0.04 4.32 4.15 2dg5A1 THR 122 HG23 -0.03 0.06 -0.19 -0.04 1.22 1.02 2dg5A1 ARG 123 H -0.03 0.13 0.11 -0.55 8.46 8.12 2dg5A1 ARG 123 HA -0.02 0.10 0.33 -0.75 4.34 4.00 2dg5A1 ARG 123 HB2 -0.01 0.02 0.13 -0.04 1.90 2.00 2dg5A1 ARG 123 HB3 -0.01 -0.08 0.10 -0.04 1.80 1.78 2dg5A1 ARG 123 HG2 0.01 0.04 -0.21 -0.04 1.67 1.46 2dg5A1 ARG 123 HG3 0.01 0.03 0.02 -0.04 1.67 1.68 2dg5A1 ARG 123 HD2 0.01 0.01 -0.03 -0.04 3.22 3.17 2dg5A1 ARG 123 HD3 0.01 -0.01 0.00 -0.04 3.22 3.18 2dg5A1 ASP 124 H -0.04 0.02 -0.21 -0.55 8.40 7.63 2dg5A1 ASP 124 HA -0.01 0.26 0.65 -0.75 4.63 4.78 2dg5A1 ASP 124 HB2 -0.02 -0.02 0.07 -0.04 2.71 2.70 2dg5A1 ASP 124 HB3 -0.01 0.01 0.08 -0.04 2.70 2.74 2dg5A1 PHE 126 HA 0.00 -0.06 0.25 -0.75 4.62 4.06 2dg5A1 PHE 126 HB2 -0.00 0.03 -0.03 -0.04 3.15 3.11 2dg5A1 PHE 126 HB3 0.00 -0.14 0.10 -0.04 3.06 2.98 2dg5A1 PHE 126 HD2 0.00 -0.06 -0.08 -0.04 7.28 7.10 2dg5A1 PHE 126 HE2 -0.00 0.05 -0.18 -0.04 7.38 7.21 2dg5A1 PHE 126 HZ -0.00 0.19 -0.01 -0.04 7.32 7.46 2dg5A1 LEU 127 H 0.03 0.59 -0.07 -0.55 8.37 8.38 2dg5A1 LEU 127 HA 0.06 0.04 0.40 -0.75 4.35 4.10 2dg5A1 LEU 127 HB2 0.02 0.08 0.04 -0.04 1.64 1.74 2dg5A1 LEU 127 HB3 0.03 -0.17 -0.20 -0.04 1.64 1.26 2dg5A1 LEU 127 HG 0.03 0.04 -0.20 -0.04 1.64 1.48 2dg5A1 LEU 127 HD13 0.02 -0.00 -0.04 -0.04 0.93 0.87 2dg5A1 LEU 127 HD23 0.05 0.01 -0.33 -0.04 0.89 0.59 2dg5A1 ASP 128 H 0.03 0.55 0.18 -0.55 8.40 8.61 2dg5A1 ASP 128 HA 0.03 0.18 0.60 -0.75 4.63 4.69 2dg5A1 ASP 128 HB2 0.02 -0.11 0.22 -0.04 2.71 2.79 2dg5A1 ASP 128 HB3 0.03 0.08 0.12 -0.04 2.70 2.89 2dg5A1 ASP 129 H 0.01 0.15 0.16 -0.55 8.40 8.17 2dg5A1 ASP 129 HA 0.01 0.17 0.36 -0.75 4.63 4.42 2dg5A1 ASP 129 HB2 0.01 -0.04 0.10 -0.04 2.71 2.74 2dg5A1 ASP 129 HB3 0.00 0.03 0.10 -0.04 2.70 2.80 2dg5A1 GLN 130 H 0.01 -0.03 -0.42 -0.55 8.47 7.48 2dg5A1 GLN 130 HA 0.01 0.21 0.72 -0.75 4.36 4.54 2dg5A1 GLN 130 HB2 0.01 -0.06 0.02 -0.04 2.15 2.07 2dg5A1 GLN 130 HB3 0.01 0.05 0.08 -0.04 2.02 2.12 2dg5A1 GLN 130 HG2 0.01 -0.08 -0.08 -0.04 2.40 2.20 2dg5A1 GLN 130 HG3 0.01 0.01 -0.00 -0.04 2.39 2.36 2dg5A1 GLN 130 HE21 0.00 0.00 0.00 -0.04 6.97 6.94 2dg5A1 GLN 130 HE22 0.00 -0.01 0.00 -0.04 7.69 7.65 2dg5A1 GLY 131 H 0.01 0.47 -0.27 -0.55 8.43 8.10 2dg5A1 GLY 131 HA2 0.01 0.09 0.22 -0.51 4.01 3.82 2dg5A1 GLY 131 HA3 0.01 0.15 0.62 -0.51 4.01 4.28 2dg5A1 ASN 132 H 0.02 -0.08 -0.11 -0.55 8.53 7.81 2dg5A1 ASN 132 HA 0.02 0.28 0.83 -0.75 4.76 5.13 2dg5A1 ASN 132 HB2 0.01 -0.13 0.05 -0.04 2.88 2.78 2dg5A1 ASN 132 HB3 0.01 0.10 0.02 -0.04 2.79 2.89 2dg5A1 ASN 132 HD21 0.01 0.05 -0.09 -0.04 7.03 6.96 2dg5A1 ASN 132 HD22 0.01 -0.11 -0.07 -0.04 7.74 7.52 2dg5A1 PRO 133 HA 0.07 0.25 0.35 -0.51 4.44 4.60 2dg5A1 PRO 133 HB2 0.01 -0.06 0.01 -0.04 2.28 2.20 2dg5A1 PRO 133 HB3 0.04 0.08 -0.02 -0.04 2.02 2.08 2dg5A1 PRO 133 HG2 0.02 0.03 0.05 -0.04 2.03 2.09 2dg5A1 PRO 133 HG3 0.04 0.11 -0.00 -0.04 2.03 2.13 2dg5A1 PRO 133 HD2 0.01 0.05 0.20 -0.04 3.68 3.90 2dg5A1 PRO 133 HD3 0.02 0.25 0.27 -0.04 3.65 4.14 2dg5A1 ASP 134 H 0.08 0.81 0.30 -0.55 8.40 9.04 2dg5A1 ASP 134 HA 0.02 0.10 0.88 -0.75 4.63 4.88 2dg5A1 ASP 134 HB2 0.05 0.05 0.06 -0.04 2.71 2.83 2dg5A1 ASP 134 HB3 0.08 0.09 0.22 -0.04 2.70 3.05 2dg5A1 SER 135 H -0.01 0.25 0.06 -0.55 8.46 8.22 2dg5A1 SER 135 HA -0.08 0.13 0.35 -0.75 4.49 4.13 2dg5A1 SER 135 HB2 -0.05 0.06 0.04 -0.04 3.95 3.96 2dg5A1 SER 135 HB3 -0.04 0.06 0.06 -0.04 3.93 3.98 2dg5A1 LYS 136 H -0.00 0.07 -0.29 -0.55 8.42 7.64 2dg5A1 LYS 136 HA -0.01 0.11 0.46 -0.75 4.32 4.13 2dg5A1 LYS 136 HB2 0.01 0.05 0.08 -0.04 1.87 1.96 2dg5A1 LYS 136 HB3 0.02 -0.04 0.08 -0.04 1.79 1.80 2dg5A1 LYS 136 HG2 0.02 -0.01 -0.07 -0.04 1.46 1.37 2dg5A1 LYS 136 HG3 0.02 0.03 -0.03 -0.04 1.46 1.44 2dg5A1 LYS 136 HD2 0.04 -0.01 -0.09 -0.04 1.69 1.59 2dg5A1 LYS 136 HD3 0.05 0.12 -0.77 -0.04 1.68 1.04 2dg5A1 LYS 136 HE2 0.06 -0.02 -0.14 -0.04 2.99 2.85 2dg5A1 LYS 136 HE3 0.04 0.02 -0.06 -0.04 2.99 2.95 2dg5A1 LYS 137 H 0.04 0.23 -0.18 -0.55 8.42 7.96 2dg5A1 LYS 137 HA 0.10 -0.02 0.43 -0.75 4.32 4.07 2dg5A1 LYS 137 HB2 0.25 0.22 0.15 -0.04 1.87 2.44 2dg5A1 LYS 137 HB3 0.33 0.04 0.03 -0.04 1.79 2.15 2dg5A1 LYS 137 HG2 0.10 -0.02 0.02 -0.04 1.46 1.51 2dg5A1 LYS 137 HG3 0.08 -0.15 0.06 -0.04 1.46 1.40 2dg5A1 LYS 137 HD2 0.07 -0.08 -0.06 -0.04 1.69 1.57 2dg5A1 LYS 137 HD3 0.13 0.12 -0.09 -0.04 1.68 1.80 2dg5A1 LYS 137 HE2 0.14 0.05 -0.04 -0.04 2.99 3.11 2dg5A1 LYS 137 HE3 0.07 -0.06 -0.03 -0.04 2.99 2.93 2dg5A1 SER 138 H -0.16 0.19 -0.25 -0.55 8.46 7.69 2dg5A1 SER 138 HA -0.51 0.22 0.67 -0.75 4.49 4.11 2dg5A1 SER 138 HB2 -0.71 0.03 0.12 -0.04 3.95 3.35 2dg5A1 SER 138 HB3 -1.56 0.01 0.02 -0.04 3.93 2.36 2dg5A1 LEU 139 H -0.08 0.10 -0.27 -0.55 8.37 7.57 2dg5A1 LEU 139 HA -0.08 0.26 1.07 -0.75 4.35 4.84 2dg5A1 LEU 139 HB2 -0.05 0.04 0.09 -0.04 1.64 1.69 2dg5A1 LEU 139 HB3 -0.05 -0.04 0.02 -0.04 1.64 1.53 2dg5A1 LEU 139 HG -0.11 -0.05 -0.27 -0.04 1.64 1.16 2dg5A1 LEU 139 HD13 -0.05 -0.04 -0.04 -0.04 0.93 0.76 2dg5A1 LEU 139 HD23 -0.08 0.04 0.02 -0.04 0.89 0.83 2dg5A1 THR 140 H -0.02 0.43 0.26 -0.55 8.28 8.41 2dg5A1 THR 140 HA -0.01 0.29 1.13 -0.75 4.39 5.04 2dg5A1 THR 140 HB 0.04 -0.00 0.13 -0.04 4.32 4.45 2dg5A1 THR 140 HG23 -0.00 -0.01 -0.13 -0.04 1.22 1.04 2dg5A1 SER 141 H 0.03 0.19 0.14 -0.55 8.46 8.27 2dg5A1 SER 141 HA 0.11 0.18 0.73 -0.75 4.49 4.76 2dg5A1 SER 141 HB2 0.12 0.01 0.18 -0.04 3.95 4.21 2dg5A1 SER 141 HB3 0.08 -0.00 0.07 -0.04 3.93 4.04 2dg5A1 HIS 142 H 0.29 0.22 0.16 -0.55 8.41 8.54 2dg5A1 HIS 142 HA -0.01 0.13 0.43 -0.75 4.63 4.43 2dg5A1 HIS 142 HB2 0.01 0.14 -0.04 -0.04 3.26 3.33 2dg5A1 HIS 142 HB3 0.00 -0.07 0.00 -0.04 3.20 3.09 2dg5A1 HIS 142 HD2 -0.03 -0.02 0.02 -0.04 6.97 6.90 2dg5A1 HIS 142 HE1 0.04 -0.02 0.05 -0.04 7.75 7.78 2dg5A1 LEU 143 H 0.14 0.03 -0.36 -0.55 8.37 7.63 2dg5A1 LEU 143 HA 0.10 0.02 0.53 -0.75 4.35 4.25 2dg5A1 LEU 143 HB2 0.22 0.07 0.04 -0.04 1.64 1.93 2dg5A1 LEU 143 HB3 0.14 0.03 0.08 -0.04 1.64 1.84 2dg5A1 LEU 143 HG 0.08 -0.05 0.01 -0.04 1.64 1.64 2dg5A1 LEU 143 HD13 0.03 -0.01 0.01 -0.04 0.93 0.92 2dg5A1 LEU 143 HD23 0.01 0.00 0.01 -0.04 0.89 0.87 2dg5A1 ALA 144 H 0.08 0.33 -0.53 -0.55 8.40 7.73 2dg5A1 ALA 144 HA 0.10 0.09 0.48 -0.75 4.34 4.26 2dg5A1 ALA 144 HB3 -0.03 0.03 -0.30 -0.04 1.41 1.07 2dg5A1 SER 145 H 0.05 0.18 -0.44 -0.55 8.46 7.70 2dg5A1 SER 145 HA 0.01 0.12 0.74 -0.75 4.49 4.61 2dg5A1 SER 145 HB2 0.02 -0.02 0.06 -0.04 3.95 3.96 2dg5A1 SER 145 HB3 -0.00 0.08 0.00 -0.04 3.93 3.97 2dg5A1 GLY 146 H 0.01 0.13 0.15 -0.55 8.43 8.18 2dg5A1 GLY 146 HA2 0.05 0.16 0.76 -0.51 4.01 4.47 2dg5A1 GLY 146 HA3 0.04 0.02 0.21 -0.51 4.01 3.77 2dg5A1 THR 147 H 0.08 0.17 0.05 -0.55 8.28 8.03 2dg5A1 THR 147 HA 0.06 0.08 0.40 -0.75 4.39 4.18 2dg5A1 THR 147 HB 0.21 0.02 0.06 -0.04 4.32 4.57 2dg5A1 THR 147 HG23 0.18 0.06 -0.19 -0.04 1.22 1.22 2dg5A1 PRO 148 HA -0.10 0.08 0.32 -0.51 4.44 4.22 2dg5A1 PRO 148 HB2 0.18 -0.06 0.05 -0.04 2.28 2.41 2dg5A1 PRO 148 HB3 -0.03 -0.05 -0.02 -0.04 2.02 1.89 2dg5A1 PRO 148 HG2 0.17 -0.04 0.09 -0.04 2.03 2.21 2dg5A1 PRO 148 HG3 0.04 0.26 0.05 -0.04 2.03 2.33 2dg5A1 PRO 148 HD2 0.11 0.02 0.16 -0.04 3.68 3.93 2dg5A1 PRO 148 HD3 0.04 0.21 0.28 -0.04 3.65 4.15 2dg5A1 GLY 149 H -0.19 0.44 0.30 -0.55 8.43 8.43 2dg5A1 GLY 149 HA2 -0.74 0.19 0.85 -0.51 4.01 3.80 2dg5A1 GLY 149 HA3 -0.24 0.16 0.14 -0.51 4.01 3.56 2dg5A1 THR 150 H -0.22 0.36 0.04 -0.55 8.28 7.91 2dg5A1 THR 150 HA -0.62 0.03 0.29 -0.75 4.39 3.34 2dg5A1 THR 150 HB -0.42 0.01 -0.05 -0.04 4.32 3.83 2dg5A1 THR 150 HG23 -0.94 0.08 -0.15 -0.04 1.22 0.17 2dg5A1 VAL 151 H -0.58 0.24 -0.16 -0.55 8.24 7.19 2dg5A1 VAL 151 HA -0.23 0.06 0.38 -0.75 4.13 3.58 2dg5A1 VAL 151 HB -0.62 0.07 0.03 -0.04 2.12 1.55 2dg5A1 VAL 151 HG13 0.10 -0.01 -0.08 -0.04 0.97 0.95 2dg5A1 VAL 151 HG23 -0.50 0.02 0.03 -0.04 0.95 0.47 2dg5A1 ALA 152 H 0.04 0.20 -0.34 -0.55 8.40 7.75 2dg5A1 ALA 152 HA 0.05 0.01 0.39 -0.75 4.34 4.04 2dg5A1 ALA 152 HB3 -0.07 0.05 0.02 -0.04 1.41 1.37 2dg5A1 GLY 153 H -0.25 0.68 -0.10 -0.55 8.43 8.22 2dg5A1 GLY 153 HA2 -0.04 0.00 0.34 -0.51 4.01 3.80 2dg5A1 GLY 153 HA3 -0.74 0.07 0.22 -0.51 4.01 3.05 2dg5A1 PHE 154 H -0.45 0.67 -0.09 -0.55 8.34 7.92 2dg5A1 PHE 154 HA -0.17 0.02 0.37 -0.75 4.62 4.08 2dg5A1 PHE 154 HB2 -0.12 0.11 0.10 -0.04 3.15 3.20 2dg5A1 PHE 154 HB3 0.04 -0.07 -0.03 -0.04 3.06 2.96 2dg5A1 PHE 154 HD2 -0.50 -0.03 -0.13 -0.04 7.28 6.58 2dg5A1 PHE 154 HE2 -0.23 0.03 -0.17 -0.04 7.38 6.97 2dg5A1 PHE 154 HZ -0.07 -0.01 -0.01 -0.04 7.32 7.19 2dg5A1 SER 155 H 0.08 0.53 -0.21 -0.55 8.46 8.31 2dg5A1 SER 155 HA 0.09 -0.02 0.49 -0.75 4.49 4.29 2dg5A1 SER 155 HB2 0.07 0.17 0.16 -0.04 3.95 4.31 2dg5A1 SER 155 HB3 0.06 -0.02 0.00 -0.04 3.93 3.93 2dg5A1 LEU 156 H 0.03 0.56 -0.17 -0.55 8.37 8.25 2dg5A1 LEU 156 HA 0.02 0.03 0.40 -0.75 4.35 4.04 2dg5A1 LEU 156 HB2 0.03 0.10 0.11 -0.04 1.64 1.84 2dg5A1 LEU 156 HB3 0.06 0.07 0.09 -0.04 1.64 1.82 2dg5A1 LEU 156 HG 0.02 -0.01 0.00 -0.04 1.64 1.61 2dg5A1 LEU 156 HD13 0.05 -0.01 -0.19 -0.04 0.93 0.74 2dg5A1 LEU 156 HD23 0.09 -0.02 -0.30 -0.04 0.89 0.61 2dg5A1 ALA 157 H 0.09 0.54 -0.21 -0.55 8.40 8.28 2dg5A1 ALA 157 HA 0.23 0.03 0.36 -0.75 4.34 4.20 2dg5A1 ALA 157 HB3 0.14 0.01 0.00 -0.04 1.41 1.53 2dg5A1 LEU 158 H 0.08 0.73 -0.09 -0.55 8.37 8.53 2dg5A1 LEU 158 HA 0.04 -0.09 0.31 -0.75 4.35 3.86 2dg5A1 LEU 158 HB2 0.04 0.10 0.08 -0.04 1.64 1.82 2dg5A1 LEU 158 HB3 0.04 0.03 0.11 -0.04 1.64 1.78 2dg5A1 LEU 158 HG 0.01 0.01 -0.26 -0.04 1.64 1.36 2dg5A1 LEU 158 HD13 -0.00 -0.02 -0.04 -0.04 0.93 0.82 2dg5A1 LEU 158 HD23 0.00 -0.00 -0.18 -0.04 0.89 0.67 2dg5A1 ASP 159 H 0.02 0.68 -0.18 -0.55 8.40 8.38 2dg5A1 ASP 159 HA -0.01 -0.01 0.33 -0.75 4.63 4.19 2dg5A1 ASP 159 HB2 -0.01 0.12 0.13 -0.04 2.71 2.92 2dg5A1 ASP 159 HB3 -0.02 -0.05 0.00 -0.04 2.70 2.59 2dg5A1 LYS 160 H -0.05 0.36 -0.21 -0.55 8.42 7.96 2dg5A1 LYS 160 HA -0.18 0.14 0.74 -0.75 4.32 4.27 2dg5A1 LYS 160 HB2 -0.20 -0.02 0.06 -0.04 1.87 1.67 2dg5A1 LYS 160 HB3 -0.36 0.05 0.10 -0.04 1.79 1.53 2dg5A1 LYS 160 HG2 -1.32 -0.01 -0.20 -0.04 1.46 -0.12 2dg5A1 LYS 160 HG3 -0.38 -0.02 0.05 -0.04 1.46 1.06 2dg5A1 LYS 160 HD2 -0.18 -0.00 -0.02 -0.04 1.69 1.45 2dg5A1 LYS 160 HD3 -0.33 -0.01 -0.06 -0.04 1.68 1.23 2dg5A1 LYS 160 HE2 -0.27 -0.02 -0.06 -0.04 2.99 2.60 2dg5A1 LYS 160 HE3 -0.17 -0.01 -0.02 -0.04 2.99 2.75 2dg5A1 TYR 161 H 0.03 0.60 0.07 -0.55 8.29 8.43 2dg5A1 TYR 161 HA 0.00 0.22 0.99 -0.75 4.56 5.01 2dg5A1 TYR 161 HB2 0.01 0.07 0.04 -0.04 3.06 3.14 2dg5A1 TYR 161 HB3 0.01 -0.13 0.09 -0.04 2.98 2.90 2dg5A1 TYR 161 HD2 0.01 0.00 -0.02 -0.04 7.15 7.10 2dg5A1 TYR 161 HE2 0.01 -0.01 -0.10 -0.04 6.85 6.71 2dg5A1 GLY 162 H 0.05 0.39 -0.05 -0.55 8.43 8.27 2dg5A1 GLY 162 HA2 0.05 -0.09 0.68 -0.51 4.01 4.13 2dg5A1 GLY 162 HA3 0.03 -0.03 0.35 -0.51 4.01 3.84 2dg5A1 THR 163 H 0.01 -0.04 0.10 -0.55 8.28 7.80 2dg5A1 THR 163 HA 0.00 0.35 0.76 -0.75 4.39 4.75 2dg5A1 THR 163 HB 0.00 0.05 0.09 -0.04 4.32 4.43 2dg5A1 THR 163 HG23 0.01 0.01 -0.18 -0.04 1.22 1.02 2dg5A1 PRO 165 HA -0.02 0.01 0.18 -0.51 4.44 4.10 2dg5A1 PRO 165 HB2 -0.03 -0.08 0.04 -0.04 2.28 2.17 2dg5A1 PRO 165 HB3 -0.02 0.09 0.12 -0.04 2.02 2.18 2dg5A1 PRO 165 HG2 -0.03 -0.23 0.06 -0.04 2.03 1.79 2dg5A1 PRO 165 HG3 -0.02 0.07 0.06 -0.04 2.03 2.10 2dg5A1 PRO 165 HD2 -0.02 -0.01 -0.13 -0.04 3.68 3.48 2dg5A1 PRO 165 HD3 -0.01 0.13 0.28 -0.04 3.65 4.01 2dg5A1 LEU 166 H -0.02 0.21 0.09 -0.55 8.37 8.10 2dg5A1 LEU 166 HA -0.06 0.05 0.35 -0.75 4.35 3.94 2dg5A1 LEU 166 HB2 -0.01 0.01 0.11 -0.04 1.64 1.72 2dg5A1 LEU 166 HB3 -0.04 0.08 0.12 -0.04 1.64 1.76 2dg5A1 LEU 166 HG -0.14 0.01 -0.26 -0.04 1.64 1.22 2dg5A1 LEU 166 HD13 -0.04 -0.01 -0.06 -0.04 0.93 0.78 2dg5A1 LEU 166 HD23 0.03 0.03 -0.08 -0.04 0.89 0.83 2dg5A1 ASN 167 H -0.06 0.14 -0.13 -0.55 8.53 7.94 2dg5A1 ASN 167 HA -0.11 0.04 0.38 -0.75 4.76 4.32 2dg5A1 ASN 167 HB2 -0.08 -0.00 0.02 -0.04 2.88 2.78 2dg5A1 ASN 167 HB3 -0.06 0.24 0.12 -0.04 2.79 3.05 2dg5A1 ASN 167 HD21 -0.03 0.01 -0.08 -0.04 7.03 6.88 2dg5A1 ASN 167 HD22 -0.05 -0.00 -0.13 -0.04 7.74 7.52 2dg5A1 LYS 168 H -0.05 0.25 -0.32 -0.55 8.42 7.75 2dg5A1 LYS 168 HA -0.03 0.06 0.48 -0.75 4.32 4.07 2dg5A1 LYS 168 HB2 -0.03 0.18 0.10 -0.04 1.87 2.08 2dg5A1 LYS 168 HB3 -0.02 -0.00 -0.00 -0.04 1.79 1.72 2dg5A1 LYS 168 HG2 -0.02 -0.01 -0.01 -0.04 1.46 1.38 2dg5A1 LYS 168 HG3 -0.03 -0.06 0.01 -0.04 1.46 1.34 2dg5A1 LYS 168 HD2 -0.02 -0.01 -0.01 -0.04 1.69 1.61 2dg5A1 LYS 168 HD3 -0.02 0.06 -0.04 -0.04 1.68 1.64 2dg5A1 LYS 168 HE2 -0.01 -0.03 -0.01 -0.04 2.99 2.90 2dg5A1 LYS 168 HE3 -0.01 0.03 -0.03 -0.04 2.99 2.94 2dg5A1 VAL 169 H -0.07 0.34 -0.10 -0.55 8.24 7.86 2dg5A1 VAL 169 HA -0.04 0.13 0.64 -0.75 4.13 4.10 2dg5A1 VAL 169 HB -0.05 -0.06 0.01 -0.04 2.12 1.98 2dg5A1 VAL 169 HG13 -0.04 -0.00 0.00 -0.04 0.97 0.89 2dg5A1 VAL 169 HG23 -0.09 0.02 -0.04 -0.04 0.95 0.80 2dg5A1 VAL 170 H -0.16 0.34 -0.30 -0.55 8.24 7.58 2dg5A1 VAL 170 HA -0.29 0.08 0.63 -0.75 4.13 3.79 2dg5A1 VAL 170 HB -0.22 0.08 0.04 -0.04 2.12 1.97 2dg5A1 VAL 170 HG13 -0.16 0.01 -0.13 -0.04 0.97 0.64 2dg5A1 VAL 170 HG23 -0.94 0.02 -0.11 -0.04 0.95 -0.12 2dg5A1 GLN 171 H -0.05 0.35 -0.19 -0.55 8.47 8.03 2dg5A1 GLN 171 HA 0.10 -0.03 0.28 -0.75 4.36 3.95 2dg5A1 GLN 171 HB2 -0.01 0.18 0.19 -0.04 2.15 2.47 2dg5A1 GLN 171 HB3 0.02 0.11 0.07 -0.04 2.02 2.18 2dg5A1 GLN 171 HG2 0.04 0.00 -0.02 -0.04 2.40 2.38 2dg5A1 GLN 171 HG3 0.09 -0.06 -0.15 -0.04 2.39 2.23 2dg5A1 GLN 171 HE21 -0.09 -0.03 -0.02 -0.04 6.97 6.79 2dg5A1 GLN 171 HE22 -0.03 0.10 -0.00 -0.04 7.69 7.71 2dg5A1 PRO 172 HA 0.04 0.04 0.41 -0.51 4.44 4.42 2dg5A1 PRO 172 HB2 0.03 0.03 -0.01 -0.04 2.28 2.29 2dg5A1 PRO 172 HB3 0.02 -0.01 0.03 -0.04 2.02 2.01 2dg5A1 PRO 172 HG2 0.00 0.07 0.01 -0.04 2.03 2.07 2dg5A1 PRO 172 HG3 0.01 0.02 0.01 -0.04 2.03 2.03 2dg5A1 PRO 172 HD2 -0.00 0.22 -0.48 -0.04 3.68 3.38 2dg5A1 PRO 172 HD3 0.00 0.26 -0.01 -0.04 3.65 3.86 2dg5A1 ALA 173 H 0.07 0.31 -0.27 -0.55 8.40 7.96 2dg5A1 ALA 173 HA 0.07 -0.02 0.35 -0.75 4.34 3.99 2dg5A1 ALA 173 HB3 0.16 0.05 -0.20 -0.04 1.41 1.37 2dg5A1 PHE 174 H 0.20 0.57 -0.18 -0.55 8.34 8.38 2dg5A1 PHE 174 HA 0.04 0.00 0.33 -0.75 4.62 4.25 2dg5A1 PHE 174 HB2 -0.00 0.01 -0.09 -0.04 3.15 3.02 2dg5A1 PHE 174 HB3 -0.00 0.15 0.08 -0.04 3.06 3.25 2dg5A1 PHE 174 HD2 0.01 0.05 -0.01 -0.04 7.28 7.30 2dg5A1 PHE 174 HE2 0.01 0.01 -0.10 -0.04 7.38 7.26 2dg5A1 PHE 174 HZ 0.01 -0.01 -0.06 -0.04 7.32 7.22 2dg5A1 LYS 175 H 0.07 0.59 -0.17 -0.55 8.42 8.36 2dg5A1 LYS 175 HA -0.32 -0.01 0.41 -0.75 4.32 3.64 2dg5A1 LYS 175 HB2 0.01 0.16 0.13 -0.04 1.87 2.13 2dg5A1 LYS 175 HB3 -0.02 -0.04 -0.02 -0.04 1.79 1.67 2dg5A1 LYS 175 HG2 0.02 -0.05 0.01 -0.04 1.46 1.40 2dg5A1 LYS 175 HG3 0.13 0.13 0.03 -0.04 1.46 1.71 2dg5A1 LYS 175 HD2 0.04 0.01 -0.06 -0.04 1.69 1.64 2dg5A1 LYS 175 HD3 0.02 -0.02 -0.03 -0.04 1.68 1.61 2dg5A1 LYS 175 HE2 0.04 -0.01 -0.04 -0.04 2.99 2.93 2dg5A1 LYS 175 HE3 0.06 -0.02 -0.03 -0.04 2.99 2.95 2dg5A1 LEU 176 H 0.01 0.47 -0.19 -0.55 8.37 8.11 2dg5A1 LEU 176 HA 0.07 0.09 0.33 -0.75 4.35 4.09 2dg5A1 LEU 176 HB2 0.04 0.12 0.12 -0.04 1.64 1.88 2dg5A1 LEU 176 HB3 0.09 -0.06 -0.10 -0.04 1.64 1.54 2dg5A1 LEU 176 HG 0.02 0.08 0.01 -0.04 1.64 1.70 2dg5A1 LEU 176 HD13 -0.04 -0.03 -0.13 -0.04 0.93 0.69 2dg5A1 LEU 176 HD23 0.01 -0.01 -0.06 -0.04 0.89 0.79 2dg5A1 ALA 177 H -0.00 0.51 -0.27 -0.55 8.40 8.09 2dg5A1 ALA 177 HA 0.09 0.03 0.49 -0.75 4.34 4.19 2dg5A1 ALA 177 HB3 0.05 0.04 0.03 -0.04 1.41 1.48 2dg5A1 ARG 178 H -0.27 0.60 -0.03 -0.55 8.46 8.21 2dg5A1 ARG 178 HA -0.13 -0.02 0.41 -0.75 4.34 3.83 2dg5A1 ARG 178 HB2 -0.71 0.00 0.09 -0.04 1.90 1.24 2dg5A1 ARG 178 HB3 -0.45 0.03 0.16 -0.04 1.80 1.49 2dg5A1 ARG 178 HG2 -0.13 0.02 -0.23 -0.04 1.67 1.29 2dg5A1 ARG 178 HG3 -0.13 -0.06 -0.01 -0.04 1.67 1.43 2dg5A1 ARG 178 HD2 -0.05 -0.04 -0.05 -0.04 3.22 3.04 2dg5A1 ARG 178 HD3 -0.29 -0.01 -0.05 -0.04 3.22 2.83 2dg5A1 ASP 179 H -0.11 0.73 0.06 -0.55 8.40 8.53 2dg5A1 ASP 179 HA -0.05 0.07 0.67 -0.75 4.63 4.56 2dg5A1 ASP 179 HB2 -0.02 0.13 0.04 -0.04 2.71 2.82 2dg5A1 ASP 179 HB3 -0.02 -0.07 0.09 -0.04 2.70 2.66 2dg5A1 GLY 180 H 0.00 0.16 -0.40 -0.55 8.43 7.65 2dg5A1 GLY 180 HA2 -0.00 0.26 0.49 -0.51 4.01 4.25 2dg5A1 GLY 180 HA3 -0.06 -0.03 0.31 -0.51 4.01 3.72 2dg5A1 PHE 181 H -0.40 0.40 0.29 -0.55 8.34 8.08 2dg5A1 PHE 181 HA 0.00 0.12 0.67 -0.75 4.62 4.66 2dg5A1 PHE 181 HB2 0.02 -0.10 0.11 -0.04 3.15 3.14 2dg5A1 PHE 181 HB3 0.01 0.07 -0.12 -0.04 3.06 2.98 2dg5A1 PHE 181 HD2 0.03 0.15 -0.22 -0.04 7.28 7.20 2dg5A1 PHE 181 HE2 0.07 0.01 -0.11 -0.04 7.38 7.31 2dg5A1 PHE 181 HZ 0.10 0.08 0.03 -0.04 7.32 7.49 2dg5A1 ILE 182 H 0.18 0.09 0.14 -0.55 8.25 8.11 2dg5A1 ILE 182 HA -0.03 0.28 0.64 -0.75 4.18 4.31 2dg5A1 ILE 182 HB 0.09 -0.10 0.09 -0.04 1.89 1.93 2dg5A1 ILE 182 HG12 0.05 -0.06 0.05 -0.04 1.49 1.49 2dg5A1 ILE 182 HG13 0.03 -0.02 0.02 -0.04 1.21 1.20 2dg5A1 ILE 182 HG23 0.03 0.06 -0.13 -0.04 0.93 0.85 2dg5A1 ILE 182 HD13 -0.00 0.05 -0.11 -0.04 0.88 0.77 2dg5A1 VAL 183 H -0.04 0.84 0.29 -0.55 8.24 8.78 2dg5A1 VAL 183 HA 0.14 0.01 0.52 -0.75 4.13 4.04 2dg5A1 VAL 183 HB -0.02 0.06 0.14 -0.04 2.12 2.26 2dg5A1 VAL 183 HG13 0.04 0.01 -0.30 -0.04 0.97 0.68 2dg5A1 VAL 183 HG23 -0.08 0.03 -0.12 -0.04 0.95 0.73 2dg5A1 ASN 184 H 0.15 0.08 0.22 -0.55 8.53 8.43 2dg5A1 ASN 184 HA 0.06 0.25 0.79 -0.75 4.76 5.10 2dg5A1 ASN 184 HB2 0.06 -0.12 0.27 -0.04 2.88 3.05 2dg5A1 ASN 184 HB3 0.08 0.15 0.13 -0.04 2.79 3.11 2dg5A1 ASN 184 HD21 0.08 0.05 0.12 -0.04 7.03 7.24 2dg5A1 ASN 184 HD22 0.06 0.04 0.12 -0.04 7.74 7.92 2dg5A1 ASP 185 H 0.04 0.19 0.20 -0.55 8.40 8.28 2dg5A1 ASP 185 HA 0.03 0.13 0.49 -0.75 4.63 4.52 2dg5A1 ASP 185 HB2 0.03 -0.03 0.19 -0.04 2.71 2.86 2dg5A1 ASP 185 HB3 0.03 0.07 0.03 -0.04 2.70 2.79 2dg5A1 ALA 186 H 0.06 0.07 0.00 -0.55 8.40 7.99 2dg5A1 ALA 186 HA 0.07 0.13 0.43 -0.75 4.34 4.21 2dg5A1 ALA 186 HB3 0.09 0.02 0.13 -0.04 1.41 1.61 2dg5A1 LEU 187 H 0.11 0.01 -0.16 -0.55 8.37 7.78 2dg5A1 LEU 187 HA 0.10 0.08 0.44 -0.75 4.35 4.20 2dg5A1 LEU 187 HB2 0.18 0.03 0.14 -0.04 1.64 1.95 2dg5A1 LEU 187 HB3 0.14 -0.08 0.10 -0.04 1.64 1.77 2dg5A1 LEU 187 HG 0.12 0.06 -0.19 -0.04 1.64 1.60 2dg5A1 LEU 187 HD13 0.10 -0.01 0.03 -0.04 0.93 1.02 2dg5A1 LEU 187 HD23 0.32 0.04 -0.00 -0.04 0.89 1.20 2dg5A1 ALA 188 H 0.05 0.45 -0.19 -0.55 8.40 8.16 2dg5A1 ALA 188 HA -0.00 0.20 0.37 -0.75 4.34 4.16 2dg5A1 ALA 188 HB3 -0.00 -0.01 0.05 -0.04 1.41 1.41 2dg5A1 ASP 189 H 0.03 0.60 -0.13 -0.55 8.40 8.36 2dg5A1 ASP 189 HA -0.00 0.03 0.44 -0.75 4.63 4.34 2dg5A1 ASP 189 HB2 0.05 0.10 0.21 -0.04 2.71 3.04 2dg5A1 ASP 189 HB3 0.03 -0.05 0.03 -0.04 2.70 2.66 2dg5A1 ASP 190 H 0.08 0.54 -0.04 -0.55 8.40 8.43 2dg5A1 ASP 190 HA 0.19 -0.03 0.52 -0.75 4.63 4.56 2dg5A1 ASP 190 HB2 0.08 0.07 0.17 -0.04 2.71 2.98 2dg5A1 ASP 190 HB3 0.14 -0.03 0.04 -0.04 2.70 2.81 2dg5A1 LEU 191 H 0.06 0.65 -0.14 -0.55 8.37 8.39 2dg5A1 LEU 191 HA 0.15 -0.05 0.45 -0.75 4.35 4.15 2dg5A1 LEU 191 HB2 -0.01 0.18 0.19 -0.04 1.64 1.96 2dg5A1 LEU 191 HB3 -0.01 -0.04 0.03 -0.04 1.64 1.58 2dg5A1 LEU 191 HG 0.07 0.02 0.07 -0.04 1.64 1.76 2dg5A1 LEU 191 HD13 0.08 -0.02 -0.02 -0.04 0.93 0.93 2dg5A1 LEU 191 HD23 0.16 -0.01 0.03 -0.04 0.89 1.03 2dg5A1 LYS 192 H 0.00 0.48 -0.17 -0.55 8.42 8.17 2dg5A1 LYS 192 HA 0.01 0.05 0.46 -0.75 4.32 4.09 2dg5A1 LYS 192 HB2 -0.07 0.06 0.12 -0.04 1.87 1.95 2dg5A1 LYS 192 HB3 -0.03 0.04 0.16 -0.04 1.79 1.91 2dg5A1 LYS 192 HG2 -0.04 -0.06 0.00 -0.04 1.46 1.32 2dg5A1 LYS 192 HG3 -0.02 -0.00 -0.10 -0.04 1.46 1.30 2dg5A1 LYS 192 HD2 -0.02 0.02 0.12 -0.04 1.69 1.76 2dg5A1 LYS 192 HD3 -0.10 0.02 0.04 -0.04 1.68 1.60 2dg5A1 LYS 192 HE2 -0.00 -0.01 0.03 -0.04 2.99 2.97 2dg5A1 LYS 192 HE3 -0.03 0.01 0.04 -0.04 2.99 2.98 2dg5A1 THR 193 H -0.04 0.47 -0.07 -0.55 8.28 8.10 2dg5A1 THR 193 HA -0.11 0.12 0.63 -0.75 4.39 4.27 2dg5A1 THR 193 HB -0.42 -0.08 0.25 -0.04 4.32 4.02 2dg5A1 THR 193 HG23 -0.65 -0.01 -0.07 -0.04 1.22 0.45 2dg5A1 TYR 194 H -0.17 0.17 0.20 -0.55 8.29 7.94 2dg5A1 TYR 194 HA 0.02 0.09 0.51 -0.75 4.56 4.42 2dg5A1 TYR 194 HB2 -0.00 0.05 0.16 -0.04 3.06 3.22 2dg5A1 TYR 194 HB3 -0.01 0.02 0.06 -0.04 2.98 3.01 2dg5A1 TYR 194 HD2 0.00 0.01 0.08 -0.04 7.15 7.20 2dg5A1 TYR 194 HE2 0.01 -0.01 0.00 -0.04 6.85 6.80 2dg5A1 GLY 195 H 0.17 0.62 0.09 -0.55 8.43 8.76 2dg5A1 GLY 195 HA2 0.08 -0.05 0.41 -0.51 4.01 3.94 2dg5A1 GLY 195 HA3 0.24 0.09 0.41 -0.51 4.01 4.23 2dg5A1 SER 196 H 0.24 0.29 -0.46 -0.55 8.46 7.98 2dg5A1 SER 196 HA 0.17 -0.03 0.33 -0.75 4.49 4.21 2dg5A1 SER 196 HB2 0.12 0.17 0.04 -0.04 3.95 4.25 2dg5A1 SER 196 HB3 0.18 -0.10 0.07 -0.04 3.93 4.04 2dg5A1 GLU 197 H 0.05 0.36 -0.52 -0.55 8.60 7.95 2dg5A1 GLU 197 HA -0.01 0.07 0.53 -0.75 4.29 4.13 2dg5A1 GLU 197 HB2 0.04 0.12 0.08 -0.04 2.09 2.29 2dg5A1 GLU 197 HB3 0.01 -0.08 0.09 -0.04 1.99 1.98 2dg5A1 GLU 197 HG2 0.01 -0.06 0.01 -0.04 2.34 2.26 2dg5A1 GLU 197 HG3 0.03 0.18 0.09 -0.04 2.34 2.59 2dg5A1 VAL 198 H -0.05 0.31 -0.13 -0.55 8.24 7.83 2dg5A1 VAL 198 HA -0.05 0.21 0.99 -0.75 4.13 4.52 2dg5A1 VAL 198 HB 0.05 -0.02 -0.03 -0.04 2.12 2.08 2dg5A1 VAL 198 HG13 0.01 0.00 -0.19 -0.04 0.97 0.74 2dg5A1 VAL 198 HG23 -0.01 0.01 0.03 -0.04 0.95 0.94 2dg5A1 LEU 199 H -0.12 0.40 0.24 -0.55 8.37 8.35 2dg5A1 LEU 199 HA -0.03 -0.01 0.36 -0.75 4.35 3.91 2dg5A1 LEU 199 HB2 -0.41 0.15 0.05 -0.04 1.64 1.39 2dg5A1 LEU 199 HB3 -0.05 -0.07 -0.12 -0.04 1.64 1.36 2dg5A1 LEU 199 HG -0.06 0.02 0.16 -0.04 1.64 1.72 2dg5A1 LEU 199 HD13 0.04 -0.01 0.01 -0.04 0.93 0.93 2dg5A1 LEU 199 HD23 -0.08 -0.00 -0.00 -0.04 0.89 0.76 2dg5A1 PRO 200 HA -0.53 0.03 0.44 -0.51 4.44 3.86 2dg5A1 PRO 200 HB2 -0.46 0.01 -0.02 -0.04 2.28 1.77 2dg5A1 PRO 200 HB3 -1.57 -0.02 -0.02 -0.04 2.02 0.37 2dg5A1 PRO 200 HG2 -0.36 0.10 -0.16 -0.04 2.03 1.56 2dg5A1 PRO 200 HG3 -0.52 0.07 -0.01 -0.04 2.03 1.53 2dg5A1 PRO 200 HD2 -0.47 0.13 -0.15 -0.04 3.68 3.15 2dg5A1 PRO 200 HD3 -1.70 0.06 -0.05 -0.04 3.65 1.92 2dg5A1 ASN 201 H -0.27 0.47 -0.63 -0.55 8.53 7.55 2dg5A1 ASN 201 HA -0.24 0.09 0.59 -0.75 4.76 4.44 2dg5A1 ASN 201 HB2 -0.43 0.19 0.07 -0.04 2.88 2.67 2dg5A1 ASN 201 HB3 -0.36 -0.08 0.14 -0.04 2.79 2.45 2dg5A1 ASN 201 HD21 -0.10 0.07 -0.07 -0.04 7.03 6.89 2dg5A1 ASN 201 HD22 -0.12 0.03 0.10 -0.04 7.74 7.72 2dg5A1 HIS 202 H -0.14 0.43 -0.27 -0.55 8.41 7.89 2dg5A1 HIS 202 HA -0.01 0.14 0.89 -0.75 4.63 4.89 2dg5A1 HIS 202 HB2 -0.03 -0.01 0.15 -0.04 3.26 3.33 2dg5A1 HIS 202 HB3 0.01 -0.10 0.07 -0.04 3.20 3.14 2dg5A1 HIS 202 HD2 -0.07 0.11 -0.08 -0.04 6.97 6.88 2dg5A1 HIS 202 HE1 0.04 -0.00 0.02 -0.04 7.75 7.76 2dg5A1 GLU 203 H 0.05 0.22 0.11 -0.55 8.60 8.43 2dg5A1 GLU 203 HA 0.00 0.11 0.34 -0.75 4.29 3.98 2dg5A1 GLU 203 HB2 0.03 -0.03 0.16 -0.04 2.09 2.21 2dg5A1 GLU 203 HB3 0.02 0.02 -0.01 -0.04 1.99 1.98 2dg5A1 GLU 203 HG2 -0.00 0.03 0.04 -0.04 2.34 2.36 2dg5A1 GLU 203 HG3 0.01 0.04 0.08 -0.04 2.34 2.43 2dg5A1 ASN 204 H 0.06 0.13 -0.07 -0.55 8.53 8.10 2dg5A1 ASN 204 HA 0.03 0.09 0.44 -0.75 4.76 4.55 2dg5A1 ASN 204 HB2 0.03 0.02 -0.00 -0.04 2.88 2.89 2dg5A1 ASN 204 HB3 0.03 0.02 0.08 -0.04 2.79 2.87 2dg5A1 ASN 204 HD21 0.04 0.07 0.01 -0.04 7.03 7.10 2dg5A1 ASN 204 HD22 0.03 0.01 0.00 -0.04 7.74 7.74 2dg5A1 SER 205 H 0.10 0.11 -0.25 -0.55 8.46 7.87 2dg5A1 SER 205 HA 0.20 0.03 0.47 -0.75 4.49 4.43 2dg5A1 SER 205 HB2 0.11 0.32 0.23 -0.04 3.95 4.57 2dg5A1 SER 205 HB3 0.19 -0.05 0.08 -0.04 3.93 4.11 2dg5A1 LYS 206 H 0.04 0.67 -0.00 -0.55 8.42 8.57 2dg5A1 LYS 206 HA 0.06 -0.04 0.28 -0.75 4.32 3.87 2dg5A1 LYS 206 HB2 -0.13 0.12 0.06 -0.04 1.87 1.88 2dg5A1 LYS 206 HB3 -0.01 0.05 0.05 -0.04 1.79 1.84 2dg5A1 LYS 206 HG2 0.09 -0.04 -0.18 -0.04 1.46 1.28 2dg5A1 LYS 206 HG3 -0.21 -0.06 -0.05 -0.04 1.46 1.10 2dg5A1 LYS 206 HD2 -0.19 0.25 0.04 -0.04 1.69 1.75 2dg5A1 LYS 206 HD3 -0.04 -0.04 -0.06 -0.04 1.68 1.51 2dg5A1 LYS 206 HE2 -0.01 -0.01 -0.07 -0.04 2.99 2.85 2dg5A1 LYS 206 HE3 -0.01 0.03 -0.03 -0.04 2.99 2.93 2dg5A1 ALA 207 H 0.04 0.44 -0.24 -0.55 8.40 8.09 2dg5A1 ALA 207 HA 0.05 0.01 0.38 -0.75 4.34 4.03 2dg5A1 ALA 207 HB3 0.01 0.01 0.11 -0.04 1.41 1.49 2dg5A1 ILE 208 H -0.02 0.26 -0.48 -0.55 8.25 7.46 2dg5A1 ILE 208 HA -0.17 0.15 0.91 -0.75 4.18 4.31 2dg5A1 ILE 208 HB -0.56 0.08 0.20 -0.04 1.89 1.57 2dg5A1 ILE 208 HG12 -0.16 -0.10 0.04 -0.04 1.49 1.23 2dg5A1 ILE 208 HG13 -0.10 0.09 -0.01 -0.04 1.21 1.15 2dg5A1 ILE 208 HG23 -0.88 -0.01 -0.07 -0.04 0.93 -0.06 2dg5A1 ILE 208 HD13 -0.08 -0.04 0.01 -0.04 0.88 0.73 2dg5A1 PHE 209 H 0.12 0.51 0.17 -0.55 8.34 8.59 2dg5A1 PHE 209 HA 0.12 0.15 0.78 -0.75 4.62 4.92 2dg5A1 PHE 209 HB2 0.30 0.05 0.03 -0.04 3.15 3.49 2dg5A1 PHE 209 HB3 0.29 -0.08 0.11 -0.04 3.06 3.34 2dg5A1 PHE 209 HD2 0.09 0.06 0.03 -0.04 7.28 7.42 2dg5A1 PHE 209 HE2 0.07 -0.00 -0.02 -0.04 7.38 7.39 2dg5A1 PHE 209 HZ 0.07 0.01 -0.02 -0.04 7.32 7.34 2dg5A1 TRP 210 H 0.39 0.49 -0.02 -0.55 7.97 8.28 2dg5A1 TRP 210 HA 0.06 0.14 0.87 -0.75 4.62 4.93 2dg5A1 TRP 210 HB2 0.06 0.01 0.07 -0.04 3.23 3.33 2dg5A1 TRP 210 HB3 0.03 -0.10 -0.16 -0.04 3.23 2.96 2dg5A1 TRP 210 HD1 0.02 -0.13 -0.36 -0.04 7.22 6.72 2dg5A1 TRP 210 HE1 0.01 0.12 -0.22 -0.04 10.20 10.07 2dg5A1 TRP 210 HE3 0.13 -0.11 -0.64 -0.04 7.59 6.94 2dg5A1 TRP 210 HZ2 0.01 0.03 -0.03 -0.04 7.44 7.41 2dg5A1 TRP 210 HZ3 0.04 -0.06 -0.12 -0.04 7.13 6.96 2dg5A1 TRP 210 HH2 0.01 0.14 -0.22 -0.04 7.19 7.09 2dg5A1 LYS 211 H -0.17 0.83 0.17 -0.55 8.42 8.69 2dg5A1 LYS 211 HA 0.04 0.07 0.64 -0.75 4.32 4.32 2dg5A1 LYS 211 HB2 -0.03 0.15 -0.23 -0.04 1.87 1.72 2dg5A1 LYS 211 HB3 -0.09 -0.00 -0.05 -0.04 1.79 1.61 2dg5A1 LYS 211 HG2 -0.03 -0.03 -0.21 -0.04 1.46 1.15 2dg5A1 LYS 211 HG3 -0.02 -0.00 0.05 -0.04 1.46 1.46 2dg5A1 LYS 211 HD2 -0.05 0.07 -0.01 -0.04 1.69 1.67 2dg5A1 LYS 211 HD3 -0.06 -0.05 -0.04 -0.04 1.68 1.49 2dg5A1 LYS 211 HE2 -0.03 -0.02 -0.02 -0.04 2.99 2.87 2dg5A1 LYS 211 HE3 -0.03 0.01 0.02 -0.04 2.99 2.95 2dg5A1 GLU 212 H 0.03 0.18 0.11 -0.55 8.60 8.37 2dg5A1 GLU 212 HA 0.02 0.02 0.33 -0.75 4.29 3.90 2dg5A1 GLU 212 HB2 -0.04 0.19 -0.15 -0.04 2.09 2.05 2dg5A1 GLU 212 HB3 -0.01 0.00 0.20 -0.04 1.99 2.14 2dg5A1 GLU 212 HG2 -0.01 -0.00 0.04 -0.04 2.34 2.34 2dg5A1 GLU 212 HG3 -0.01 -0.05 -0.04 -0.04 2.34 2.20 2dg5A1 GLY 213 H 0.12 0.04 -0.29 -0.55 8.43 7.75 2dg5A1 GLY 213 HA2 0.25 -0.00 0.21 -0.51 4.01 3.95 2dg5A1 GLY 213 HA3 0.10 0.06 0.37 -0.51 4.01 4.04 2dg5A1 GLU 214 H -0.14 0.41 -0.43 -0.55 8.60 7.90 2dg5A1 GLU 214 HA -0.27 0.18 0.84 -0.75 4.29 4.29 2dg5A1 GLU 214 HB2 -0.21 0.05 -0.04 -0.04 2.09 1.84 2dg5A1 GLU 214 HB3 -0.24 0.02 0.07 -0.04 1.99 1.79 2dg5A1 GLU 214 HG2 -0.04 0.04 -0.47 -0.04 2.34 1.82 2dg5A1 GLU 214 HG3 -0.07 -0.07 -0.06 -0.04 2.34 2.09 2dg5A1 PRO 215 HA -1.86 0.12 0.53 -0.51 4.44 2.72 2dg5A1 PRO 215 HB2 -0.50 0.06 -0.11 -0.04 2.28 1.69 2dg5A1 PRO 215 HB3 -1.49 0.07 -0.09 -0.04 2.02 0.47 2dg5A1 PRO 215 HG2 -0.35 0.00 -0.00 -0.04 2.03 1.63 2dg5A1 PRO 215 HG3 -0.27 0.03 0.02 -0.04 2.03 1.77 2dg5A1 PRO 215 HD2 -0.35 0.06 0.21 -0.04 3.68 3.56 2dg5A1 PRO 215 HD3 -0.53 0.15 0.13 -0.04 3.65 3.36 2dg5A1 LEU 216 H -0.25 0.40 0.25 -0.55 8.37 8.23 2dg5A1 LEU 216 HA -0.15 -0.00 0.37 -0.75 4.35 3.81 2dg5A1 LEU 216 HB2 -0.02 -0.06 0.07 -0.04 1.64 1.59 2dg5A1 LEU 216 HB3 -0.06 -0.04 -0.06 -0.04 1.64 1.43 2dg5A1 LEU 216 HG 0.00 0.23 -0.15 -0.04 1.64 1.68 2dg5A1 LEU 216 HD13 0.01 0.02 -0.01 -0.04 0.93 0.90 2dg5A1 LEU 216 HD23 -0.06 -0.00 -0.10 -0.04 0.89 0.68 2dg5A1 LYS 217 H -0.10 0.06 0.15 -0.55 8.42 7.98 2dg5A1 LYS 217 HA -0.08 0.18 0.77 -0.75 4.32 4.43 2dg5A1 LYS 217 HB2 -0.06 -0.02 0.01 -0.04 1.87 1.75 2dg5A1 LYS 217 HB3 -0.06 -0.04 0.11 -0.04 1.79 1.76 2dg5A1 LYS 217 HG2 -0.11 0.03 0.02 -0.04 1.46 1.35 2dg5A1 LYS 217 HG3 -0.08 -0.03 0.00 -0.04 1.46 1.31 2dg5A1 LYS 217 HD2 -0.09 -0.10 -0.02 -0.04 1.69 1.43 2dg5A1 LYS 217 HD3 -0.15 0.12 -0.36 -0.04 1.68 1.25 2dg5A1 LYS 217 HE2 -0.20 0.15 -0.09 -0.04 2.99 2.82 2dg5A1 LYS 217 HE3 -0.11 -0.09 -0.03 -0.04 2.99 2.72 2dg5A1 LYS 218 H -0.03 0.11 0.12 -0.55 8.42 8.07 2dg5A1 LYS 218 HA 0.00 0.14 0.32 -0.75 4.32 4.03 2dg5A1 LYS 218 HB2 0.00 -0.02 0.02 -0.04 1.87 1.82 2dg5A1 LYS 218 HB3 -0.01 -0.01 0.11 -0.04 1.79 1.84 2dg5A1 LYS 218 HG2 0.01 0.06 -0.20 -0.04 1.46 1.29 2dg5A1 LYS 218 HG3 0.02 -0.06 -0.06 -0.04 1.46 1.32 2dg5A1 LYS 218 HD2 0.01 -0.06 -0.03 -0.04 1.69 1.56 2dg5A1 LYS 218 HD3 0.00 0.03 -0.02 -0.04 1.68 1.65 2dg5A1 LYS 218 HE2 0.01 0.05 -0.02 -0.04 2.99 2.99 2dg5A1 LYS 218 HE3 0.02 -0.12 0.02 -0.04 2.99 2.87 2dg5A1 GLY 219 H 0.00 0.61 0.33 -0.55 8.43 8.82 2dg5A1 GLY 219 HA2 -0.00 -0.05 0.39 -0.51 4.01 3.84 2dg5A1 GLY 219 HA3 -0.01 0.14 0.78 -0.51 4.01 4.41 2dg5A1 ASP 220 H -0.03 0.51 -0.26 -0.55 8.40 8.07 2dg5A1 ASP 220 HA -0.04 0.05 0.48 -0.75 4.63 4.36 2dg5A1 ASP 220 HB2 -0.06 0.19 0.10 -0.04 2.71 2.90 2dg5A1 ASP 220 HB3 -0.07 0.07 0.01 -0.04 2.70 2.67 2dg5A1 THR 221 H -0.07 0.16 0.18 -0.55 8.28 8.00 2dg5A1 THR 221 HA -0.13 0.22 0.91 -0.75 4.39 4.63 2dg5A1 THR 221 HB -0.07 -0.04 0.11 -0.04 4.32 4.28 2dg5A1 THR 221 HG23 -0.09 -0.00 -0.27 -0.04 1.22 0.82 2dg5A1 LEU 222 H -0.44 0.64 0.28 -0.55 8.37 8.31 2dg5A1 LEU 222 HA -0.19 0.20 0.94 -0.75 4.35 4.55 2dg5A1 LEU 222 HB2 -0.26 -0.03 -0.01 -0.04 1.64 1.30 2dg5A1 LEU 222 HB3 -0.95 -0.03 0.16 -0.04 1.64 0.78 2dg5A1 LEU 222 HG -0.19 -0.03 -0.26 -0.04 1.64 1.11 2dg5A1 LEU 222 HD13 -0.15 0.01 -0.03 -0.04 0.93 0.71 2dg5A1 LEU 222 HD23 0.17 -0.02 -0.04 -0.04 0.89 0.95 2dg5A1 VAL 223 H -0.13 0.27 0.18 -0.55 8.24 8.01 2dg5A1 VAL 223 HA -0.08 0.19 0.82 -0.75 4.13 4.31 2dg5A1 VAL 223 HB -0.07 -0.03 0.11 -0.04 2.12 2.08 2dg5A1 VAL 223 HG13 -0.05 -0.01 -0.11 -0.04 0.97 0.76 2dg5A1 VAL 223 HG23 -0.07 -0.01 -0.32 -0.04 0.95 0.52 2dg5A1 GLN 224 H -0.03 0.70 0.18 -0.55 8.47 8.77 2dg5A1 GLN 224 HA -0.08 0.16 0.93 -0.75 4.36 4.61 2dg5A1 GLN 224 HB2 0.05 0.00 0.20 -0.04 2.15 2.36 2dg5A1 GLN 224 HB3 0.00 -0.15 0.12 -0.04 2.02 1.95 2dg5A1 GLN 224 HG2 -0.16 0.07 -0.12 -0.04 2.40 2.15 2dg5A1 GLN 224 HG3 -0.03 -0.01 -0.48 -0.04 2.39 1.83 2dg5A1 GLN 224 HE21 0.36 0.41 0.09 -0.04 6.97 7.80 2dg5A1 GLN 224 HE22 0.31 -0.01 -0.09 -0.04 7.69 7.86 2dg5A1 ALA 225 H -0.04 0.28 -0.03 -0.55 8.40 8.06 2dg5A1 ALA 225 HA -0.01 0.13 0.35 -0.75 4.34 4.05 2dg5A1 ALA 225 HB3 -0.01 0.03 0.07 -0.04 1.41 1.46 2dg5A1 ASN 226 H -0.01 0.16 -0.08 -0.55 8.53 8.06 2dg5A1 ASN 226 HA 0.03 0.10 0.46 -0.75 4.76 4.59 2dg5A1 ASN 226 HB2 0.00 0.02 0.07 -0.04 2.88 2.93 2dg5A1 ASN 226 HB3 0.02 0.04 -0.03 -0.04 2.79 2.78 2dg5A1 ASN 226 HD21 0.00 0.02 -0.00 -0.04 7.03 7.01 2dg5A1 ASN 226 HD22 0.00 0.04 -0.00 -0.04 7.74 7.73 2dg5A1 LEU 227 H 0.03 0.13 -0.26 -0.55 8.37 7.72 2dg5A1 LEU 227 HA 0.09 0.05 0.38 -0.75 4.35 4.10 2dg5A1 LEU 227 HB2 0.08 -0.00 0.06 -0.04 1.64 1.74 2dg5A1 LEU 227 HB3 0.08 0.15 0.06 -0.04 1.64 1.88 2dg5A1 LEU 227 HG 0.13 -0.02 -0.21 -0.04 1.64 1.50 2dg5A1 LEU 227 HD13 0.12 -0.02 -0.02 -0.04 0.93 0.98 2dg5A1 LEU 227 HD23 0.14 0.03 -0.06 -0.04 0.89 0.97 2dg5A1 ALA 228 H 0.06 0.46 -0.32 -0.55 8.40 8.06 2dg5A1 ALA 228 HA 0.19 0.01 0.38 -0.75 4.34 4.17 2dg5A1 ALA 228 HB3 -0.03 0.04 -0.04 -0.04 1.41 1.35 2dg5A1 LYS 229 H 0.10 0.43 -0.22 -0.55 8.42 8.18 2dg5A1 LYS 229 HA 0.14 -0.00 0.41 -0.75 4.32 4.11 2dg5A1 LYS 229 HB2 0.07 0.01 0.11 -0.04 1.87 2.02 2dg5A1 LYS 229 HB3 0.06 0.14 0.17 -0.04 1.79 2.12 2dg5A1 LYS 229 HG2 0.03 -0.03 -0.03 -0.04 1.46 1.40 2dg5A1 LYS 229 HG3 0.04 -0.00 -0.23 -0.04 1.46 1.23 2dg5A1 LYS 229 HD2 0.05 -0.02 0.09 -0.04 1.69 1.77 2dg5A1 LYS 229 HD3 0.05 0.00 0.01 -0.04 1.68 1.71 2dg5A1 LYS 229 HE2 0.02 -0.00 -0.02 -0.04 2.99 2.94 2dg5A1 LYS 229 HE3 0.02 -0.02 -0.04 -0.04 2.99 2.91 2dg5A1 SER 230 H 0.09 0.47 -0.16 -0.55 8.46 8.31 2dg5A1 SER 230 HA 0.06 -0.04 0.35 -0.75 4.49 4.11 2dg5A1 SER 230 HB2 0.11 0.12 0.14 -0.04 3.95 4.28 2dg5A1 SER 230 HB3 0.11 -0.05 -0.03 -0.04 3.93 3.92 2dg5A1 LEU 231 H 0.16 0.58 -0.20 -0.55 8.37 8.36 2dg5A1 LEU 231 HA 0.13 -0.02 0.36 -0.75 4.35 4.07 2dg5A1 LEU 231 HB2 0.31 0.09 0.10 -0.04 1.64 2.10 2dg5A1 LEU 231 HB3 0.18 -0.09 -0.09 -0.04 1.64 1.59 2dg5A1 LEU 231 HG 0.19 0.14 -0.03 -0.04 1.64 1.90 2dg5A1 LEU 231 HD13 0.19 -0.04 -0.32 -0.04 0.93 0.73 2dg5A1 LEU 231 HD23 0.30 -0.02 -0.09 -0.04 0.89 1.04 2dg5A1 GLU 232 H 0.10 0.61 -0.21 -0.55 8.60 8.56 2dg5A1 GLU 232 HA -0.41 -0.04 0.23 -0.75 4.29 3.32 2dg5A1 GLU 232 HB2 -0.22 0.08 0.10 -0.04 2.09 2.01 2dg5A1 GLU 232 HB3 -0.04 0.15 0.17 -0.04 1.99 2.22 2dg5A1 GLU 232 HG2 -0.19 -0.05 0.09 -0.04 2.34 2.14 2dg5A1 GLU 232 HG3 -0.59 -0.04 0.04 -0.04 2.34 1.71 2dg5A1 ILE 234 HA 0.05 -0.05 0.28 -0.75 4.18 3.71 2dg5A1 ILE 234 HB 0.06 0.14 0.07 -0.04 1.89 2.12 2dg5A1 ILE 234 HG12 0.15 -0.16 0.00 -0.04 1.49 1.44 2dg5A1 ILE 234 HG13 0.12 0.23 0.08 -0.04 1.21 1.60 2dg5A1 ILE 234 HG23 0.10 -0.04 -0.28 -0.04 0.93 0.67 2dg5A1 ILE 234 HD13 0.24 -0.02 -0.09 -0.04 0.88 0.96 2dg5A1 ALA 235 H -0.07 0.74 -0.83 -0.55 8.40 7.69 2dg5A1 ALA 235 HA -0.10 -0.09 0.27 -0.75 4.34 3.66 2dg5A1 ALA 235 HB3 -0.16 0.02 0.06 -0.04 1.41 1.29 2dg5A1 GLU 236 H -0.07 0.50 0.30 -0.55 8.60 8.79 2dg5A1 GLU 236 HA -0.05 0.10 0.67 -0.75 4.29 4.25 2dg5A1 GLU 236 HB2 -0.08 0.04 0.10 -0.04 2.09 2.12 2dg5A1 GLU 236 HB3 -0.04 0.00 0.04 -0.04 1.99 1.94 2dg5A1 GLU 236 HG2 -0.03 -0.01 -0.14 -0.04 2.34 2.12 2dg5A1 GLU 236 HG3 -0.04 -0.02 0.07 -0.04 2.34 2.32 2dg5A1 ASN 237 H -0.01 0.14 -0.12 -0.55 8.53 7.99 2dg5A1 ASN 237 HA 0.00 0.23 0.91 -0.75 4.76 5.15 2dg5A1 ASN 237 HB2 0.02 0.02 0.02 -0.04 2.88 2.90 2dg5A1 ASN 237 HB3 0.02 -0.05 0.07 -0.04 2.79 2.79 2dg5A1 ASN 237 HD21 -0.00 0.00 -0.07 -0.04 7.03 6.91 2dg5A1 ASN 237 HD22 0.01 0.01 -0.06 -0.04 7.74 7.66 2dg5A1 GLY 238 H 0.01 0.50 -0.11 -0.55 8.43 8.28 2dg5A1 GLY 238 HA2 0.03 0.07 0.34 -0.51 4.01 3.94 2dg5A1 GLY 238 HA3 0.04 0.11 0.64 -0.51 4.01 4.29 2dg5A1 PRO 239 HA 0.18 0.05 0.42 -0.51 4.44 4.58 2dg5A1 PRO 239 HB2 0.24 0.06 -0.05 -0.04 2.28 2.49 2dg5A1 PRO 239 HB3 0.16 0.08 0.04 -0.04 2.02 2.26 2dg5A1 PRO 239 HG2 0.10 0.05 0.06 -0.04 2.03 2.19 2dg5A1 PRO 239 HG3 0.08 0.08 0.06 -0.04 2.03 2.20 2dg5A1 PRO 239 HD2 0.06 0.15 0.25 -0.04 3.68 4.09 2dg5A1 PRO 239 HD3 0.07 0.12 0.17 -0.04 3.65 3.97 2dg5A1 ASP 240 H 0.11 0.22 -0.34 -0.55 8.40 7.85 2dg5A1 ASP 240 HA 0.20 0.09 0.32 -0.75 4.63 4.49 2dg5A1 ASP 240 HB2 0.07 0.14 -0.03 -0.04 2.71 2.85 2dg5A1 ASP 240 HB3 0.08 -0.01 -0.03 -0.04 2.70 2.69 2dg5A1 GLU 241 H 0.10 0.55 -0.49 -0.55 8.60 8.21 2dg5A1 GLU 241 HA 0.04 -0.04 0.42 -0.75 4.29 3.95 2dg5A1 GLU 241 HB2 0.04 -0.02 0.05 -0.04 2.09 2.12 2dg5A1 GLU 241 HB3 0.08 0.17 0.11 -0.04 1.99 2.32 2dg5A1 GLU 241 HG2 0.04 0.28 0.02 -0.04 2.34 2.63 2dg5A1 GLU 241 HG3 0.04 -0.04 -0.23 -0.04 2.34 2.06 2dg5A1 PHE 242 H 0.18 0.37 -0.19 -0.55 8.34 8.15 2dg5A1 PHE 242 HA -0.14 -0.02 0.45 -0.75 4.62 4.16 2dg5A1 PHE 242 HB2 -0.13 -0.03 0.08 -0.04 3.15 3.02 2dg5A1 PHE 242 HB3 -0.41 0.12 0.11 -0.04 3.06 2.83 2dg5A1 PHE 242 HD2 -1.13 0.02 -0.19 -0.04 7.28 5.94 2dg5A1 PHE 242 HE2 -0.28 0.03 -0.09 -0.04 7.38 7.00 2dg5A1 PHE 242 HZ -0.18 0.03 0.01 -0.04 7.32 7.14 2dg5A1 TYR 243 H 0.22 0.30 -0.06 -0.55 8.29 8.20 2dg5A1 TYR 243 HA 0.07 0.15 0.62 -0.75 4.56 4.65 2dg5A1 TYR 243 HB2 0.13 -0.08 -0.00 -0.04 3.06 3.07 2dg5A1 TYR 243 HB3 0.13 0.25 -0.03 -0.04 2.98 3.29 2dg5A1 TYR 243 HD2 0.19 0.10 0.01 -0.04 7.15 7.40 2dg5A1 TYR 243 HE2 -0.07 0.06 -0.07 -0.04 6.85 6.73 2dg5A1 LYS 244 H 0.09 0.38 -0.06 -0.55 8.42 8.27 2dg5A1 LYS 244 HA 0.05 0.17 0.81 -0.75 4.32 4.60 2dg5A1 LYS 244 HB2 0.07 0.01 0.00 -0.04 1.87 1.91 2dg5A1 LYS 244 HB3 0.05 -0.06 0.08 -0.04 1.79 1.82 2dg5A1 LYS 244 HG2 0.09 0.08 -0.06 -0.04 1.46 1.53 2dg5A1 LYS 244 HG3 0.15 -0.07 -0.47 -0.04 1.46 1.03 2dg5A1 LYS 244 HD2 0.07 -0.07 -0.03 -0.04 1.69 1.62 2dg5A1 LYS 244 HD3 0.05 -0.04 -0.01 -0.04 1.68 1.64 2dg5A1 LYS 244 HE2 0.06 0.04 0.03 -0.04 2.99 3.07 2dg5A1 LYS 244 HE3 0.08 0.06 -0.01 -0.04 2.99 3.08 2dg5A1 GLY 245 H 0.01 0.15 0.05 -0.55 8.43 8.09 2dg5A1 GLY 245 HA2 0.00 0.16 0.57 -0.51 4.01 4.23 2dg5A1 GLY 245 HA3 0.00 -0.06 0.49 -0.51 4.01 3.93 2dg5A1 THR 246 H -0.01 0.15 0.18 -0.55 8.28 8.04 2dg5A1 THR 246 HA -0.03 0.08 0.40 -0.75 4.39 4.09 2dg5A1 THR 246 HB -0.01 0.02 0.10 -0.04 4.32 4.38 2dg5A1 THR 246 HG23 -0.02 0.01 -0.08 -0.04 1.22 1.09 2dg5A1 ILE 247 H -0.07 0.22 -0.11 -0.55 8.25 7.75 2dg5A1 ILE 247 HA -0.11 0.03 0.39 -0.75 4.18 3.73 2dg5A1 ILE 247 HB -0.23 0.13 0.09 -0.04 1.89 1.83 2dg5A1 ILE 247 HG12 -0.02 -0.02 -0.01 -0.04 1.49 1.39 2dg5A1 ILE 247 HG13 -0.02 -0.07 -0.01 -0.04 1.21 1.07 2dg5A1 ILE 247 HG23 -0.47 0.01 -0.11 -0.04 0.93 0.32 2dg5A1 ILE 247 HD13 0.12 0.02 -0.08 -0.04 0.88 0.90 2dg5A1 ALA 248 H -0.18 0.19 -0.34 -0.55 8.40 7.53 2dg5A1 ALA 248 HA -0.29 0.08 0.35 -0.75 4.34 3.72 2dg5A1 ALA 248 HB3 -0.09 0.06 -0.32 -0.04 1.41 1.02 2dg5A1 GLU 249 H -0.07 0.41 -0.32 -0.55 8.60 8.08 2dg5A1 GLU 249 HA -0.04 -0.01 0.36 -0.75 4.29 3.85 2dg5A1 GLU 249 HB2 -0.04 0.14 0.13 -0.04 2.09 2.28 2dg5A1 GLU 249 HB3 -0.03 -0.06 0.01 -0.04 1.99 1.87 2dg5A1 GLU 249 HG2 -0.02 -0.05 -0.02 -0.04 2.34 2.21 2dg5A1 GLU 249 HG3 -0.03 0.33 -0.03 -0.04 2.34 2.57 2dg5A1 GLN 250 H -0.08 0.52 -0.16 -0.55 8.47 8.21 2dg5A1 GLN 250 HA -0.03 -0.02 0.41 -0.75 4.36 3.97 2dg5A1 GLN 250 HB2 -0.08 0.12 0.18 -0.04 2.15 2.33 2dg5A1 GLN 250 HB3 -0.04 -0.06 0.01 -0.04 2.02 1.89 2dg5A1 GLN 250 HG2 -0.02 -0.05 0.01 -0.04 2.40 2.29 2dg5A1 GLN 250 HG3 -0.04 0.11 0.05 -0.04 2.39 2.47 2dg5A1 GLN 250 HE21 -0.00 -0.03 -0.06 -0.04 6.97 6.83 2dg5A1 GLN 250 HE22 -0.01 -0.01 -0.04 -0.04 7.69 7.59 2dg5A1 ILE 251 H -0.13 0.57 -0.16 -0.55 8.25 7.98 2dg5A1 ILE 251 HA -0.06 -0.01 0.45 -0.75 4.18 3.81 2dg5A1 ILE 251 HB -0.17 0.10 0.11 -0.04 1.89 1.89 2dg5A1 ILE 251 HG12 -0.13 -0.06 0.00 -0.04 1.49 1.26 2dg5A1 ILE 251 HG13 -0.24 0.11 0.04 -0.04 1.21 1.08 2dg5A1 ILE 251 HG23 -0.06 -0.00 -0.14 -0.04 0.93 0.68 2dg5A1 ILE 251 HD13 -0.52 -0.01 -0.05 -0.04 0.88 0.26 2dg5A1 ALA 252 H -0.06 0.59 -0.10 -0.55 8.40 8.28 2dg5A1 ALA 252 HA -0.01 0.22 0.37 -0.75 4.34 4.16 2dg5A1 ALA 252 HB3 -0.02 -0.04 0.06 -0.04 1.41 1.37 2dg5A1 GLN 253 H -0.03 0.53 -0.17 -0.55 8.47 8.26 2dg5A1 GLN 253 HA -0.02 0.00 0.45 -0.75 4.36 4.04 2dg5A1 GLN 253 HB2 -0.02 0.06 0.11 -0.04 2.15 2.26 2dg5A1 GLN 253 HB3 -0.01 -0.09 -0.02 -0.04 2.02 1.86 2dg5A1 GLN 253 HG2 -0.01 -0.07 0.02 -0.04 2.40 2.29 2dg5A1 GLN 253 HG3 -0.02 0.26 0.09 -0.04 2.39 2.67 2dg5A1 GLN 253 HE21 -0.01 -0.06 -0.05 -0.04 6.97 6.81 2dg5A1 GLN 253 HE22 -0.01 -0.01 -0.03 -0.04 7.69 7.59 2dg5A1 GLU 254 H -0.01 0.48 -0.23 -0.55 8.60 8.29 2dg5A1 GLU 254 HA 0.02 -0.07 0.27 -0.75 4.29 3.75 2dg5A1 GLU 254 HB2 0.02 0.01 0.14 -0.04 2.09 2.22 2dg5A1 GLU 254 HB3 0.03 0.24 0.20 -0.04 1.99 2.41 2dg5A1 GLU 254 HG2 0.05 -0.03 0.05 -0.04 2.34 2.38 2dg5A1 GLU 254 HG3 0.23 -0.00 0.09 -0.04 2.34 2.62 2dg5A1 GLN 256 HA -0.02 -0.04 0.32 -0.75 4.36 3.86 2dg5A1 GLN 256 HB2 -0.01 0.06 0.12 -0.04 2.15 2.28 2dg5A1 GLN 256 HB3 -0.02 0.00 0.11 -0.04 2.02 2.07 2dg5A1 GLN 256 HG2 -0.01 -0.03 0.05 -0.04 2.40 2.37 2dg5A1 GLN 256 HG3 -0.01 -0.06 -0.00 -0.04 2.39 2.27 2dg5A1 GLN 256 HE21 -0.02 -0.03 -0.05 -0.04 6.97 6.83 2dg5A1 GLN 256 HE22 -0.02 -0.01 0.01 -0.04 7.69 7.63 2dg5A1 LYS 257 H -0.05 0.69 -0.54 -0.55 8.42 7.98 2dg5A1 LYS 257 HA -0.04 0.03 0.57 -0.75 4.32 4.13 2dg5A1 LYS 257 HB2 -0.05 0.13 0.09 -0.04 1.87 2.00 2dg5A1 LYS 257 HB3 -0.04 -0.11 0.12 -0.04 1.79 1.72 2dg5A1 LYS 257 HG2 -0.02 -0.09 0.02 -0.04 1.46 1.33 2dg5A1 LYS 257 HG3 -0.02 0.18 0.05 -0.04 1.46 1.62 2dg5A1 LYS 257 HD2 -0.01 0.03 -0.07 -0.04 1.69 1.60 2dg5A1 LYS 257 HD3 -0.01 -0.08 0.00 -0.04 1.68 1.55 2dg5A1 LYS 257 HE2 -0.01 -0.06 -0.03 -0.04 2.99 2.85 2dg5A1 LYS 257 HE3 -0.01 -0.04 -0.01 -0.04 2.99 2.89 2dg5A1 ASN 258 H -0.16 0.23 0.12 -0.55 8.53 8.18 2dg5A1 ASN 258 HA -0.16 0.21 1.01 -0.75 4.76 5.06 2dg5A1 ASN 258 HB2 -1.07 0.15 0.14 -0.04 2.88 2.06 2dg5A1 ASN 258 HB3 -0.79 -0.09 0.24 -0.04 2.79 2.11 2dg5A1 ASN 258 HD21 -0.04 -0.12 -0.02 -0.04 7.03 6.81 2dg5A1 ASN 258 HD22 -0.18 0.53 0.09 -0.04 7.74 8.14 2dg5A1 GLY 259 H -0.08 0.29 -0.13 -0.55 8.43 7.96 2dg5A1 GLY 259 HA2 -0.03 0.05 0.30 -0.51 4.01 3.82 2dg5A1 GLY 259 HA3 -0.03 0.03 0.45 -0.51 4.01 3.96 2dg5A1 GLY 260 H -0.05 0.02 -0.34 -0.55 8.43 7.50 2dg5A1 GLY 260 HA2 0.07 0.07 0.30 -0.51 4.01 3.94 2dg5A1 GLY 260 HA3 0.07 0.06 0.10 -0.51 4.01 3.73 2dg5A1 LEU 261 H 0.04 0.14 0.10 -0.55 8.37 8.11 2dg5A1 LEU 261 HA 0.01 0.26 0.92 -0.75 4.35 4.79 2dg5A1 LEU 261 HB2 0.02 0.07 0.03 -0.04 1.64 1.72 2dg5A1 LEU 261 HB3 0.01 -0.16 -0.03 -0.04 1.64 1.42 2dg5A1 LEU 261 HG 0.00 0.02 -0.13 -0.04 1.64 1.49 2dg5A1 LEU 261 HD13 -0.04 0.01 -0.19 -0.04 0.93 0.66 2dg5A1 LEU 261 HD23 -0.01 0.03 -0.18 -0.04 0.89 0.69 2dg5A1 ILE 262 H 0.03 0.10 0.04 -0.55 8.25 7.88 2dg5A1 ILE 262 HA 0.04 -0.10 0.43 -0.75 4.18 3.80 2dg5A1 ILE 262 HB 0.02 0.07 0.02 -0.04 1.89 1.95 2dg5A1 ILE 262 HG12 0.05 -0.06 -0.11 -0.04 1.49 1.33 2dg5A1 ILE 262 HG13 0.04 -0.01 0.02 -0.04 1.21 1.22 2dg5A1 ILE 262 HG23 0.03 -0.01 -0.16 -0.04 0.93 0.75 2dg5A1 ILE 262 HD13 0.03 0.02 -0.29 -0.04 0.88 0.59 2dg5A1 THR 263 H 0.03 -0.03 0.30 -0.55 8.28 8.04 2dg5A1 THR 263 HA 0.01 0.36 0.93 -0.75 4.39 4.93 2dg5A1 THR 263 HB 0.01 -0.08 0.21 -0.04 4.32 4.43 2dg5A1 THR 263 HG23 0.01 0.14 0.01 -0.04 1.22 1.33 2dg5A1 LYS 264 H 0.01 0.22 0.18 -0.55 8.42 8.27 2dg5A1 LYS 264 HA 0.01 0.17 0.44 -0.75 4.32 4.19 2dg5A1 LYS 264 HB2 0.01 -0.04 0.10 -0.04 1.87 1.91 2dg5A1 LYS 264 HB3 0.02 0.08 0.05 -0.04 1.79 1.89 2dg5A1 LYS 264 HG2 -0.01 0.08 -0.06 -0.04 1.46 1.43 2dg5A1 LYS 264 HG3 -0.00 -0.00 0.08 -0.04 1.46 1.49 2dg5A1 LYS 264 HD2 -0.01 0.01 -0.02 -0.04 1.69 1.63 2dg5A1 LYS 264 HD3 0.00 -0.02 0.00 -0.04 1.68 1.62 2dg5A1 LYS 264 HE2 0.01 0.01 -0.02 -0.04 2.99 2.95 2dg5A1 LYS 264 HE3 -0.01 -0.01 -0.17 -0.04 2.99 2.76 2dg5A1 GLU 265 H 0.03 0.06 -0.11 -0.55 8.60 8.02 2dg5A1 GLU 265 HA 0.04 0.13 0.43 -0.75 4.29 4.13 2dg5A1 GLU 265 HB2 0.03 -0.05 0.07 -0.04 2.09 2.10 2dg5A1 GLU 265 HB3 0.03 0.08 0.01 -0.04 1.99 2.07 2dg5A1 GLU 265 HG2 0.02 0.03 0.03 -0.04 2.34 2.38 2dg5A1 GLU 265 HG3 0.02 -0.06 0.07 -0.04 2.34 2.33 2dg5A1 ASP 266 H 0.05 -0.01 -0.24 -0.55 8.40 7.65 2dg5A1 ASP 266 HA 0.08 0.09 0.40 -0.75 4.63 4.45 2dg5A1 ASP 266 HB2 0.07 0.14 0.23 -0.04 2.71 3.11 2dg5A1 ASP 266 HB3 0.10 0.09 0.01 -0.04 2.70 2.87 2dg5A1 LEU 267 H 0.09 0.41 -0.10 -0.55 8.37 8.23 2dg5A1 LEU 267 HA 0.30 0.02 0.44 -0.75 4.35 4.37 2dg5A1 LEU 267 HB2 0.07 0.04 0.20 -0.04 1.64 1.91 2dg5A1 LEU 267 HB3 0.15 0.03 0.13 -0.04 1.64 1.90 2dg5A1 LEU 267 HG 0.06 -0.07 0.00 -0.04 1.64 1.59 2dg5A1 LEU 267 HD13 -0.09 -0.04 -0.06 -0.04 0.93 0.71 2dg5A1 LEU 267 HD23 -0.01 0.01 -0.00 -0.04 0.89 0.84 2dg5A1 ALA 268 H 0.11 0.47 -0.10 -0.55 8.40 8.34 2dg5A1 ALA 268 HA 0.14 0.03 0.44 -0.75 4.34 4.20 2dg5A1 ALA 268 HB3 0.06 -0.03 0.13 -0.04 1.41 1.54 2dg5A1 ALA 269 H 0.10 0.32 -0.41 -0.55 8.40 7.86 2dg5A1 ALA 269 HA 0.02 0.07 0.66 -0.75 4.34 4.34 2dg5A1 ALA 269 HB3 0.05 -0.03 0.09 -0.04 1.41 1.47 2dg5A1 TYR 270 H 0.18 0.27 -0.27 -0.55 8.29 7.92 2dg5A1 TYR 270 HA 0.00 0.02 0.40 -0.75 4.56 4.22 2dg5A1 TYR 270 HB2 0.11 0.01 0.07 -0.04 3.06 3.22 2dg5A1 TYR 270 HB3 -0.16 0.01 0.07 -0.04 2.98 2.86 2dg5A1 TYR 270 HD2 -0.19 -0.07 -0.21 -0.04 7.15 6.64 2dg5A1 TYR 270 HE2 -0.02 -0.05 -0.10 -0.04 6.85 6.63 2dg5A1 LYS 271 H -1.12 0.24 0.17 -0.55 8.42 7.16 2dg5A1 LYS 271 HA -0.26 0.04 0.72 -0.75 4.32 4.06 2dg5A1 LYS 271 HB2 -0.15 0.02 0.06 -0.04 1.87 1.76 2dg5A1 LYS 271 HB3 -0.16 0.10 -0.15 -0.04 1.79 1.54 2dg5A1 LYS 271 HG2 -0.22 0.06 0.04 -0.04 1.46 1.30 2dg5A1 LYS 271 HG3 -0.22 -0.03 -0.07 -0.04 1.46 1.10 2dg5A1 LYS 271 HD2 -0.08 -0.05 -0.02 -0.04 1.69 1.50 2dg5A1 LYS 271 HD3 -0.08 -0.02 -0.04 -0.04 1.68 1.50 2dg5A1 LYS 271 HE2 -0.07 0.10 -0.01 -0.04 2.99 2.96 2dg5A1 LYS 271 HE3 -0.05 -0.08 -0.01 -0.04 2.99 2.81 2dg5A1 ALA 272 H -0.08 0.06 0.11 -0.55 8.40 7.94 2dg5A1 ALA 272 HA 0.04 0.22 0.73 -0.75 4.34 4.58 2dg5A1 ALA 272 HB3 0.10 -0.04 -0.11 -0.04 1.41 1.32 2dg5A1 VAL 273 H 0.04 0.67 0.34 -0.55 8.24 8.74 2dg5A1 VAL 273 HA 0.00 0.15 1.01 -0.75 4.13 4.54 2dg5A1 VAL 273 HB 0.02 -0.05 0.12 -0.04 2.12 2.17 2dg5A1 VAL 273 HG13 0.01 0.01 -0.14 -0.04 0.97 0.81 2dg5A1 VAL 273 HG23 -0.06 0.04 -0.22 -0.04 0.95 0.68 2dg5A1 GLU 274 H 0.04 0.16 0.16 -0.55 8.60 8.41 2dg5A1 GLU 274 HA 0.09 0.17 0.86 -0.75 4.29 4.66 2dg5A1 GLU 274 HB2 0.10 -0.04 0.07 -0.04 2.09 2.17 2dg5A1 GLU 274 HB3 0.06 -0.02 0.15 -0.04 1.99 2.13 2dg5A1 GLU 274 HG2 0.07 -0.01 -0.16 -0.04 2.34 2.21 2dg5A1 GLU 274 HG3 0.10 0.13 0.05 -0.04 2.34 2.58 2dg5A1 ARG 275 H 0.05 0.69 0.39 -0.55 8.46 9.03 2dg5A1 ARG 275 HA -0.00 0.14 0.88 -0.75 4.34 4.61 2dg5A1 ARG 275 HB2 0.01 -0.02 -0.08 -0.04 1.90 1.77 2dg5A1 ARG 275 HB3 -0.04 0.01 0.08 -0.04 1.80 1.81 2dg5A1 ARG 275 HG2 0.01 0.03 -0.17 -0.04 1.67 1.49 2dg5A1 ARG 275 HG3 0.04 0.02 -0.46 -0.04 1.67 1.22 2dg5A1 ARG 275 HD2 0.05 0.02 -0.04 -0.04 3.22 3.20 2dg5A1 ARG 275 HD3 0.00 0.03 0.02 -0.04 3.22 3.23 2dg5A1 THR 276 H -0.07 0.12 0.17 -0.55 8.28 7.95 2dg5A1 THR 276 HA -0.03 0.10 0.64 -0.75 4.39 4.34 2dg5A1 THR 276 HB -0.17 -0.03 0.15 -0.04 4.32 4.23 2dg5A1 THR 276 HG23 -0.06 0.06 0.03 -0.04 1.22 1.21 2dg5A1 PRO 277 HA -0.05 0.10 0.54 -0.51 4.44 4.52 2dg5A1 PRO 277 HB2 0.20 -0.03 -0.10 -0.04 2.28 2.30 2dg5A1 PRO 277 HB3 0.08 0.07 0.02 -0.04 2.02 2.15 2dg5A1 PRO 277 HG2 -0.00 0.05 -0.32 -0.04 2.03 1.72 2dg5A1 PRO 277 HG3 -0.00 -0.03 -0.27 -0.04 2.03 1.69 2dg5A1 PRO 277 HD2 0.02 0.10 0.22 -0.04 3.68 3.98 2dg5A1 PRO 277 HD3 -0.01 0.11 0.41 -0.04 3.65 4.12 2dg5A1 ILE 278 H -0.08 0.41 0.31 -0.55 8.25 8.33 2dg5A1 ILE 278 HA -0.19 0.14 0.72 -0.75 4.18 4.09 2dg5A1 ILE 278 HB -0.11 -0.14 -0.15 -0.04 1.89 1.46 2dg5A1 ILE 278 HG12 -0.24 0.09 -0.04 -0.04 1.49 1.25 2dg5A1 ILE 278 HG13 -0.14 -0.13 -0.07 -0.04 1.21 0.83 2dg5A1 ILE 278 HG23 -0.04 -0.00 -0.40 -0.04 0.93 0.45 2dg5A1 ILE 278 HD13 -0.34 0.03 -0.00 -0.04 0.88 0.53 2dg5A1 SER 279 H -0.06 0.25 0.17 -0.55 8.46 8.27 2dg5A1 SER 279 HA -0.19 0.27 0.86 -0.75 4.49 4.68 2dg5A1 SER 279 HB2 -0.86 0.04 0.05 -0.04 3.95 3.13 2dg5A1 SER 279 HB3 -0.47 -0.04 -0.25 -0.04 3.93 3.14 2dg5A1 GLY 280 H -0.21 0.46 0.35 -0.55 8.43 8.48 2dg5A1 GLY 280 HA2 -0.03 0.15 0.66 -0.51 4.01 4.28 2dg5A1 GLY 280 HA3 -0.02 0.06 0.32 -0.51 4.01 3.86 2dg5A1 ASP 281 H 0.03 0.28 0.18 -0.55 8.40 8.34 2dg5A1 ASP 281 HA 0.05 0.33 0.99 -0.75 4.63 5.25 2dg5A1 ASP 281 HB2 0.01 0.01 -0.09 -0.04 2.71 2.61 2dg5A1 ASP 281 HB3 0.03 -0.01 0.12 -0.04 2.70 2.80 2dg5A1 TYR 282 H 0.20 0.85 0.21 -0.55 8.29 9.00 2dg5A1 TYR 282 HA 0.04 0.19 0.91 -0.75 4.56 4.93 2dg5A1 TYR 282 HB2 0.02 -0.01 -0.13 -0.04 3.06 2.90 2dg5A1 TYR 282 HB3 0.04 -0.01 0.09 -0.04 2.98 3.06 2dg5A1 TYR 282 HD2 -0.02 0.01 -0.07 -0.04 7.15 7.04 2dg5A1 TYR 282 HE2 0.00 0.03 -0.07 -0.04 6.85 6.78 2dg5A1 ARG 283 H -0.14 0.23 0.07 -0.55 8.46 8.07 2dg5A1 ARG 283 HA -0.09 0.05 0.32 -0.75 4.34 3.87 2dg5A1 ARG 283 HB2 -0.07 0.12 -0.01 -0.04 1.90 1.89 2dg5A1 ARG 283 HB3 -0.07 0.00 0.19 -0.04 1.80 1.88 2dg5A1 ARG 283 HG2 -0.38 0.06 0.07 -0.04 1.67 1.39 2dg5A1 ARG 283 HG3 -1.29 -0.07 -0.19 -0.04 1.67 0.08 2dg5A1 ARG 283 HD2 -0.25 -0.02 -0.02 -0.04 3.22 2.89 2dg5A1 ARG 283 HD3 -0.18 -0.01 0.04 -0.04 3.22 3.03 2dg5A1 GLY 284 H 0.03 0.03 -0.38 -0.55 8.43 7.57 2dg5A1 GLY 284 HA2 -0.02 -0.03 0.23 -0.51 4.01 3.68 2dg5A1 GLY 284 HA3 -0.07 0.16 0.61 -0.51 4.01 4.21 2dg5A1 TYR 285 H 0.28 0.50 -0.32 -0.55 8.29 8.21 2dg5A1 TYR 285 HA 0.04 0.13 0.78 -0.75 4.56 4.77 2dg5A1 TYR 285 HB2 0.12 0.10 0.09 -0.04 3.06 3.32 2dg5A1 TYR 285 HB3 0.08 0.01 -0.03 -0.04 2.98 3.00 2dg5A1 TYR 285 HD2 0.04 0.08 -0.05 -0.04 7.15 7.18 2dg5A1 TYR 285 HE2 0.02 -0.00 -0.00 -0.04 6.85 6.82 2dg5A1 GLN 286 H 0.14 0.19 0.15 -0.55 8.47 8.40 2dg5A1 GLN 286 HA 0.02 0.29 1.09 -0.75 4.36 5.01 2dg5A1 GLN 286 HB2 0.18 -0.03 0.11 -0.04 2.15 2.37 2dg5A1 GLN 286 HB3 -0.10 0.04 -0.01 -0.04 2.02 1.91 2dg5A1 GLN 286 HG2 0.07 -0.00 -0.05 -0.04 2.40 2.37 2dg5A1 GLN 286 HG3 0.01 0.02 -0.11 -0.04 2.39 2.28 2dg5A1 GLN 286 HE21 -0.00 0.29 -0.24 -0.04 6.97 6.97 2dg5A1 GLN 286 HE22 0.02 -0.06 -0.33 -0.04 7.69 7.28 2dg5A1 VAL 287 H -0.11 0.54 0.24 -0.55 8.24 8.36 2dg5A1 VAL 287 HA 0.05 0.17 0.90 -0.75 4.13 4.50 2dg5A1 VAL 287 HB -0.05 -0.07 -0.01 -0.04 2.12 1.95 2dg5A1 VAL 287 HG13 -0.02 0.01 -0.23 -0.04 0.97 0.68 2dg5A1 VAL 287 HG23 0.03 0.02 -0.25 -0.04 0.95 0.70 2dg5A1 TYR 288 H 0.17 0.23 0.14 -0.55 8.29 8.28 2dg5A1 TYR 288 HA -0.02 0.29 1.02 -0.75 4.56 5.10 2dg5A1 TYR 288 HB2 -0.01 -0.02 0.06 -0.04 3.06 3.05 2dg5A1 TYR 288 HB3 -0.02 0.04 -0.07 -0.04 2.98 2.88 2dg5A1 TYR 288 HD2 -0.00 0.04 -0.17 -0.04 7.15 6.97 2dg5A1 TYR 288 HE2 0.01 0.01 -0.10 -0.04 6.85 6.72 2dg5A1 SER 289 H 0.02 0.74 0.23 -0.55 8.46 8.89 2dg5A1 SER 289 HA 0.01 0.21 0.43 -0.75 4.49 4.38 2dg5A1 SER 289 HB2 -0.02 0.10 -0.31 -0.04 3.95 3.67 2dg5A1 SER 289 HB3 -0.06 -0.11 -0.02 -0.04 3.93 3.70 2dg5A1 PRO 291 HA -0.16 -0.14 0.16 -0.51 4.44 3.79 2dg5A1 PRO 291 HB2 -0.20 0.05 0.12 -0.04 2.28 2.21 2dg5A1 PRO 291 HB3 -0.21 0.02 0.14 -0.04 2.02 1.93 2dg5A1 PRO 291 HG2 -0.06 0.09 -0.17 -0.04 2.03 1.85 2dg5A1 PRO 291 HG3 -0.09 0.10 -0.17 -0.04 2.03 1.82 2dg5A1 PRO 291 HD2 -0.08 -0.08 -0.29 -0.04 3.68 3.19 2dg5A1 PRO 291 HD3 -0.08 0.01 -0.66 -0.04 3.65 2.88 2dg5A1 PRO 292 HA -0.03 0.03 0.48 -0.51 4.44 4.41 2dg5A1 PRO 292 HB2 0.01 -0.01 0.15 -0.04 2.28 2.38 2dg5A1 PRO 292 HB3 0.03 0.25 0.18 -0.04 2.02 2.44 2dg5A1 PRO 292 HG2 0.02 -0.01 0.13 -0.04 2.03 2.13 2dg5A1 PRO 292 HG3 -0.02 0.05 0.10 -0.04 2.03 2.12 2dg5A1 PRO 292 HD2 -0.16 0.11 0.23 -0.04 3.68 3.82 2dg5A1 PRO 292 HD3 -0.12 -0.01 0.17 -0.04 3.65 3.66 2dg5A1 PRO 293 HA 0.07 0.10 0.21 -0.51 4.44 4.30 2dg5A1 PRO 293 HB2 0.16 0.03 0.09 -0.04 2.28 2.52 2dg5A1 PRO 293 HB3 0.11 -0.02 0.13 -0.04 2.02 2.21 2dg5A1 PRO 293 HG2 0.47 -0.02 -0.03 -0.04 2.03 2.42 2dg5A1 PRO 293 HG3 0.15 0.05 0.08 -0.04 2.03 2.28 2dg5A1 PRO 293 HD2 0.19 0.15 0.09 -0.04 3.68 4.07 2dg5A1 PRO 293 HD3 0.11 0.05 0.37 -0.04 3.65 4.14 2dg5A1 SER 294 H -0.13 0.65 0.33 -0.55 8.46 8.76 2dg5A1 SER 294 HA -0.10 0.22 0.94 -0.75 4.49 4.80 2dg5A1 SER 294 HB2 -1.21 0.06 0.04 -0.04 3.95 2.80 2dg5A1 SER 294 HB3 -0.53 0.16 0.07 -0.04 3.93 3.59 2dg5A1 SER 295 H -0.06 0.21 0.10 -0.55 8.46 8.17 2dg5A1 SER 295 HA -0.08 0.18 0.65 -0.75 4.49 4.48 2dg5A1 SER 295 HB2 0.21 0.01 0.05 -0.04 3.95 4.18 2dg5A1 SER 295 HB3 0.07 0.11 -0.04 -0.04 3.93 4.02 2dg5A1 GLY 296 H -0.13 0.06 -0.10 -0.55 8.43 7.71 2dg5A1 GLY 296 HA2 -0.04 0.11 0.27 -0.51 4.01 3.84 2dg5A1 GLY 296 HA3 -0.10 0.08 0.26 -0.51 4.01 3.74 2dg5A1 GLY 297 H -0.14 0.16 -0.15 -0.55 8.43 7.75 2dg5A1 GLY 297 HA2 -0.08 0.07 0.27 -0.51 4.01 3.77 2dg5A1 GLY 297 HA3 -0.10 0.09 0.17 -0.51 4.01 3.66 2dg5A1 ILE 298 H -0.15 0.11 -0.36 -0.55 8.25 7.31 2dg5A1 ILE 298 HA -0.06 0.08 0.25 -0.75 4.18 3.69 2dg5A1 ILE 298 HB -0.34 0.06 0.01 -0.04 1.89 1.57 2dg5A1 ILE 298 HG12 0.05 0.04 -0.02 -0.04 1.49 1.52 2dg5A1 ILE 298 HG13 -0.08 -0.08 -0.03 -0.04 1.21 0.98 2dg5A1 ILE 298 HG23 -0.24 0.02 -0.25 -0.04 0.93 0.41 2dg5A1 ILE 298 HD13 0.02 0.02 -0.03 -0.04 0.88 0.84 2dg5A1 HIS 299 H -0.24 0.51 -0.16 -0.55 8.41 7.97 2dg5A1 HIS 299 HA -0.04 0.09 0.51 -0.75 4.63 4.43 2dg5A1 HIS 299 HB2 -0.16 0.07 0.02 -0.04 3.26 3.15 2dg5A1 HIS 299 HB3 -0.19 -0.04 -0.01 -0.04 3.20 2.91 2dg5A1 HIS 299 HD2 -0.13 -0.04 -0.05 -0.04 6.97 6.71 2dg5A1 HIS 299 HE1 0.06 -0.03 -0.15 -0.04 7.75 7.59 2dg5A1 ILE 300 H -0.03 0.55 -0.18 -0.55 8.25 8.04 2dg5A1 ILE 300 HA -0.03 0.03 0.42 -0.75 4.18 3.85 2dg5A1 ILE 300 HB -0.05 0.07 0.05 -0.04 1.89 1.93 2dg5A1 ILE 300 HG12 -0.03 -0.03 -0.03 -0.04 1.49 1.36 2dg5A1 ILE 300 HG13 -0.02 0.07 0.02 -0.04 1.21 1.23 2dg5A1 ILE 300 HG23 -0.06 -0.01 -0.20 -0.04 0.93 0.61 2dg5A1 ILE 300 HD13 -0.03 -0.03 -0.14 -0.04 0.88 0.64 2dg5A1 VAL 301 H -0.04 0.58 -0.19 -0.55 8.24 8.04 2dg5A1 VAL 301 HA -0.03 -0.02 0.29 -0.75 4.13 3.61 2dg5A1 VAL 301 HB -0.01 0.12 0.02 -0.04 2.12 2.21 2dg5A1 VAL 301 HG13 0.01 0.00 -0.16 -0.04 0.97 0.78 2dg5A1 VAL 301 HG23 -0.05 -0.01 -0.24 -0.04 0.95 0.61 2dg5A1 GLN 302 H 0.01 0.56 -0.16 -0.55 8.47 8.33 2dg5A1 GLN 302 HA 0.03 0.06 0.41 -0.75 4.36 4.11 2dg5A1 GLN 302 HB2 0.08 0.14 0.09 -0.04 2.15 2.42 2dg5A1 GLN 302 HB3 0.10 -0.07 0.17 -0.04 2.02 2.18 2dg5A1 GLN 302 HG2 0.04 -0.07 -0.28 -0.04 2.40 2.05 2dg5A1 GLN 302 HG3 0.06 0.08 0.05 -0.04 2.39 2.54 2dg5A1 GLN 302 HE21 0.29 -0.03 -0.08 -0.04 6.97 7.10 2dg5A1 GLN 302 HE22 0.06 -0.01 -0.08 -0.04 7.69 7.62 2dg5A1 ILE 303 H 0.02 0.69 -0.14 -0.55 8.25 8.26 2dg5A1 ILE 303 HA 0.02 0.01 0.38 -0.75 4.18 3.83 2dg5A1 ILE 303 HB -0.02 0.08 0.09 -0.04 1.89 2.00 2dg5A1 ILE 303 HG12 0.03 -0.02 -0.14 -0.04 1.49 1.32 2dg5A1 ILE 303 HG13 0.02 0.15 0.10 -0.04 1.21 1.44 2dg5A1 ILE 303 HG23 -0.00 -0.03 -0.17 -0.04 0.93 0.69 2dg5A1 ILE 303 HD13 -0.01 -0.03 -0.08 -0.04 0.88 0.72 2dg5A1 LEU 304 H -0.06 0.65 -0.19 -0.55 8.37 8.22 2dg5A1 LEU 304 HA -0.21 -0.02 0.38 -0.75 4.35 3.75 2dg5A1 LEU 304 HB2 -0.09 0.12 0.10 -0.04 1.64 1.72 2dg5A1 LEU 304 HB3 -0.28 -0.08 -0.05 -0.04 1.64 1.18 2dg5A1 LEU 304 HG -0.21 0.13 0.02 -0.04 1.64 1.53 2dg5A1 LEU 304 HD13 -0.19 -0.03 -0.16 -0.04 0.93 0.51 2dg5A1 LEU 304 HD23 -0.90 -0.02 -0.04 -0.04 0.89 -0.12 2dg5A1 ASN 305 H 0.02 0.64 -0.25 -0.55 8.53 8.40 2dg5A1 ASN 305 HA 0.11 -0.04 0.40 -0.75 4.76 4.48 2dg5A1 ASN 305 HB2 0.01 0.24 0.18 -0.04 2.88 3.27 2dg5A1 ASN 305 HB3 0.00 -0.13 -0.01 -0.04 2.79 2.61 2dg5A1 ASN 305 HD21 0.03 0.10 -0.06 -0.04 7.03 7.06 2dg5A1 ASN 305 HD22 0.02 -0.02 -0.29 -0.04 7.74 7.41 2dg5A1 ILE 306 H 0.03 0.44 -0.21 -0.55 8.25 7.96 2dg5A1 ILE 306 HA 0.03 0.04 0.43 -0.75 4.18 3.92 2dg5A1 ILE 306 HB 0.05 0.11 0.21 -0.04 1.89 2.21 2dg5A1 ILE 306 HG12 -0.11 0.01 0.12 -0.04 1.49 1.47 2dg5A1 ILE 306 HG13 -0.05 0.19 0.11 -0.04 1.21 1.42 2dg5A1 ILE 306 HG23 0.11 -0.03 -0.08 -0.04 0.93 0.89 2dg5A1 ILE 306 HD13 -0.03 -0.04 -0.03 -0.04 0.88 0.74 2dg5A1 LEU 307 H 0.12 0.65 0.03 -0.55 8.37 8.62 2dg5A1 LEU 307 HA 0.34 0.00 0.38 -0.75 4.35 4.32 2dg5A1 LEU 307 HB2 0.18 0.07 0.10 -0.04 1.64 1.94 2dg5A1 LEU 307 HB3 0.20 -0.06 0.04 -0.04 1.64 1.79 2dg5A1 LEU 307 HG 0.03 0.28 0.01 -0.04 1.64 1.92 2dg5A1 LEU 307 HD13 -0.04 -0.03 -0.09 -0.04 0.93 0.73 2dg5A1 LEU 307 HD23 -0.01 -0.02 -0.03 -0.04 0.89 0.79 2dg5A1 GLU 308 H 0.26 0.49 -0.38 -0.55 8.60 8.43 2dg5A1 GLU 308 HA 0.08 -0.01 0.41 -0.75 4.29 4.01 2dg5A1 GLU 308 HB2 0.23 0.09 0.17 -0.04 2.09 2.54 2dg5A1 GLU 308 HB3 0.07 0.16 0.10 -0.04 1.99 2.27 2dg5A1 GLU 308 HG2 -0.05 0.01 0.03 -0.04 2.34 2.29 2dg5A1 GLU 308 HG3 -0.20 -0.08 0.15 -0.04 2.34 2.17 2dg5A1 ASN 309 H 0.09 0.46 -0.46 -0.55 8.53 8.07 2dg5A1 ASN 309 HA -0.13 0.01 0.52 -0.75 4.76 4.40 2dg5A1 ASN 309 HB2 -0.29 0.22 0.13 -0.04 2.88 2.89 2dg5A1 ASN 309 HB3 -0.42 -0.09 0.14 -0.04 2.79 2.38 2dg5A1 ASN 309 HD21 -0.04 -0.10 -0.03 -0.04 7.03 6.82 2dg5A1 ASN 309 HD22 -0.01 0.27 0.18 -0.04 7.74 8.14 2dg5A1 PHE 310 H 0.22 0.66 -0.29 -0.55 8.34 8.38 2dg5A1 PHE 310 HA 0.05 0.11 0.92 -0.75 4.62 4.94 2dg5A1 PHE 310 HB2 0.13 0.10 0.09 -0.04 3.15 3.42 2dg5A1 PHE 310 HB3 0.25 -0.11 0.06 -0.04 3.06 3.21 2dg5A1 PHE 310 HD2 0.11 -0.01 0.02 -0.04 7.28 7.36 2dg5A1 PHE 310 HE2 0.02 0.00 -0.02 -0.04 7.38 7.34 2dg5A1 PHE 310 HZ 0.00 0.21 0.08 -0.04 7.32 7.57 2dg5A1 ASP 311 H 0.04 0.13 0.09 -0.55 8.40 8.12 2dg5A1 ASP 311 HA -0.04 0.24 0.52 -0.75 4.63 4.59 2dg5A1 ASP 311 HB2 -0.11 0.06 0.07 -0.04 2.71 2.69 2dg5A1 ASP 311 HB3 -0.34 -0.04 0.16 -0.04 2.70 2.44 2dg5A1 LYS 313 HA 0.04 -0.05 0.31 -0.75 4.32 3.87 2dg5A1 LYS 313 HB2 0.01 0.03 0.08 -0.04 1.87 1.95 2dg5A1 LYS 313 HB3 -0.02 -0.04 -0.07 -0.04 1.79 1.63 2dg5A1 LYS 313 HG2 0.01 0.02 -0.19 -0.04 1.46 1.26 2dg5A1 LYS 313 HG3 0.03 -0.02 0.03 -0.04 1.46 1.45 2dg5A1 LYS 313 HD2 0.01 0.02 -0.00 -0.04 1.69 1.68 2dg5A1 LYS 313 HD3 -0.00 -0.00 -0.05 -0.04 1.68 1.58 2dg5A1 LYS 313 HE2 0.01 0.00 -0.02 -0.04 2.99 2.95 2dg5A1 LYS 313 HE3 0.01 -0.00 -0.04 -0.04 2.99 2.92 2dg5A1 LYS 314 H -0.12 0.21 -0.84 -0.55 8.42 7.11 2dg5A1 LYS 314 HA -0.05 0.02 0.40 -0.75 4.32 3.94 2dg5A1 LYS 314 HB2 -0.14 -0.06 0.07 -0.04 1.87 1.70 2dg5A1 LYS 314 HB3 -0.40 0.18 0.18 -0.04 1.79 1.71 2dg5A1 LYS 314 HG2 -0.10 0.03 -0.25 -0.04 1.46 1.09 2dg5A1 LYS 314 HG3 -0.07 -0.04 0.03 -0.04 1.46 1.34 2dg5A1 LYS 314 HD2 -0.29 0.01 0.00 -0.04 1.69 1.37 2dg5A1 LYS 314 HD3 -0.05 -0.03 -0.02 -0.04 1.68 1.53 2dg5A1 LYS 314 HE2 -0.12 0.01 0.02 -0.04 2.99 2.86 2dg5A1 LYS 314 HE3 -0.07 -0.02 0.01 -0.04 2.99 2.87 2dg5A1 TYR 315 H -0.23 0.35 0.09 -0.55 8.29 7.96 2dg5A1 TYR 315 HA 0.02 0.01 0.45 -0.75 4.56 4.28 2dg5A1 TYR 315 HB2 0.01 0.02 -0.05 -0.04 3.06 3.00 2dg5A1 TYR 315 HB3 -0.01 -0.16 -0.04 -0.04 2.98 2.73 2dg5A1 TYR 315 HD2 0.02 0.02 -0.09 -0.04 7.15 7.06 2dg5A1 TYR 315 HE2 0.09 -0.01 -0.03 -0.04 6.85 6.86 2dg5A1 GLY 316 H 0.12 0.03 -0.32 -0.55 8.43 7.71 2dg5A1 GLY 316 HA2 0.10 0.02 0.30 -0.51 4.01 3.92 2dg5A1 GLY 316 HA3 0.10 0.18 0.42 -0.51 4.01 4.20 2dg5A1 PHE 317 H 0.22 0.11 0.12 -0.55 8.34 8.23 2dg5A1 PHE 317 HA 0.02 0.03 0.40 -0.75 4.62 4.32 2dg5A1 PHE 317 HB2 0.02 0.01 0.12 -0.04 3.15 3.25 2dg5A1 PHE 317 HB3 0.02 0.01 0.09 -0.04 3.06 3.14 2dg5A1 PHE 317 HD2 0.01 0.01 -0.17 -0.04 7.28 7.09 2dg5A1 PHE 317 HE2 -0.01 0.01 -0.03 -0.04 7.38 7.30 2dg5A1 PHE 317 HZ -0.02 0.00 -0.02 -0.04 7.32 7.24 2dg5A1 GLY 318 H -1.00 0.12 0.15 -0.55 8.43 7.16 2dg5A1 GLY 318 HA2 -0.42 0.01 0.30 -0.51 4.01 3.40 2dg5A1 GLY 318 HA3 -0.11 0.04 0.37 -0.51 4.01 3.80 2dg5A1 SER 319 H -0.11 0.25 -0.33 -0.55 8.46 7.72 2dg5A1 SER 319 HA -0.03 0.12 0.72 -0.75 4.49 4.54 2dg5A1 SER 319 HB2 -0.00 -0.14 0.09 -0.04 3.95 3.85 2dg5A1 SER 319 HB3 0.03 0.26 -0.03 -0.04 3.93 4.15 2dg5A1 ALA 320 H -0.06 0.14 0.15 -0.55 8.40 8.08 2dg5A1 ALA 320 HA -0.09 0.11 0.37 -0.75 4.34 3.97 2dg5A1 ALA 320 HB3 -0.06 -0.00 0.10 -0.04 1.41 1.40 2dg5A1 ASP 321 H -0.14 -0.01 -0.18 -0.55 8.40 7.53 2dg5A1 ASP 321 HA -0.27 0.15 0.41 -0.75 4.63 4.17 2dg5A1 ASP 321 HB2 -0.43 -0.04 0.06 -0.04 2.71 2.27 2dg5A1 ASP 321 HB3 -1.13 0.01 -0.04 -0.04 2.70 1.50 2dg5A1 ALA 322 H -0.15 0.05 -0.31 -0.55 8.40 7.45 2dg5A1 ALA 322 HA -0.08 0.01 0.18 -0.75 4.34 3.70 2dg5A1 ALA 322 HB3 -0.01 -0.01 -0.02 -0.04 1.41 1.33 2dg5A1 GLN 324 HA -0.10 -0.15 0.29 -0.75 4.36 3.65 2dg5A1 GLN 324 HB2 -0.11 -0.04 0.10 -0.04 2.15 2.06 2dg5A1 GLN 324 HB3 -0.18 0.06 0.17 -0.04 2.02 2.03 2dg5A1 GLN 324 HG2 -0.11 0.21 -0.03 -0.04 2.40 2.43 2dg5A1 GLN 324 HG3 -0.13 -0.05 -0.43 -0.04 2.39 1.74 2dg5A1 GLN 324 HE21 -0.04 -0.18 -0.45 -0.04 6.97 6.26 2dg5A1 GLN 324 HE22 -0.05 0.38 -0.22 -0.04 7.69 7.76 2dg5A1 ILE 325 H -0.23 0.63 -0.55 -0.55 8.25 7.54 2dg5A1 ILE 325 HA -0.28 -0.03 0.20 -0.75 4.18 3.31 2dg5A1 ILE 325 HB -0.28 0.15 0.10 -0.04 1.89 1.82 2dg5A1 ILE 325 HG12 -0.61 -0.07 -0.05 -0.04 1.49 0.72 2dg5A1 ILE 325 HG13 -0.36 0.19 0.02 -0.04 1.21 1.01 2dg5A1 ILE 325 HG23 -0.84 -0.03 0.04 -0.04 0.93 0.06 2dg5A1 ILE 325 HD13 -0.32 -0.05 -0.08 -0.04 0.88 0.40 2dg5A1 ALA 327 HA -0.04 -0.10 0.27 -0.75 4.34 3.72 2dg5A1 ALA 327 HB3 -0.06 0.02 0.01 -0.04 1.41 1.34 2dg5A1 GLU 328 H -0.05 0.71 -0.69 -0.55 8.60 8.02 2dg5A1 GLU 328 HA -0.02 -0.03 0.45 -0.75 4.29 3.94 2dg5A1 GLU 328 HB2 -0.02 0.16 0.13 -0.04 2.09 2.32 2dg5A1 GLU 328 HB3 0.12 -0.07 0.01 -0.04 1.99 2.01 2dg5A1 GLU 328 HG2 -0.05 0.32 0.01 -0.04 2.34 2.58 2dg5A1 GLU 328 HG3 -0.01 -0.02 -0.06 -0.04 2.34 2.21 2dg5A1 ALA 329 H 0.01 0.71 0.32 -0.55 8.40 8.89 2dg5A1 ALA 329 HA 0.20 0.03 0.38 -0.75 4.34 4.19 2dg5A1 ALA 329 HB3 0.02 0.01 0.05 -0.04 1.41 1.45 2dg5A1 GLU 330 H 0.04 0.21 -0.37 -0.55 8.60 7.94 2dg5A1 GLU 330 HA 0.10 -0.02 0.36 -0.75 4.29 3.97 2dg5A1 GLU 330 HB2 0.04 0.21 0.07 -0.04 2.09 2.37 2dg5A1 GLU 330 HB3 0.18 -0.05 -0.03 -0.04 1.99 2.05 2dg5A1 GLU 330 HG2 0.12 -0.05 -0.03 -0.04 2.34 2.34 2dg5A1 GLU 330 HG3 0.04 -0.02 -0.07 -0.04 2.34 2.25 2dg5A1 LYS 331 H 0.00 0.48 -0.27 -0.55 8.42 8.09 2dg5A1 LYS 331 HA -0.02 -0.03 0.36 -0.75 4.32 3.88 2dg5A1 LYS 331 HB2 -0.29 0.26 0.20 -0.04 1.87 2.00 2dg5A1 LYS 331 HB3 -0.29 -0.05 -0.02 -0.04 1.79 1.40 2dg5A1 LYS 331 HG2 -0.11 -0.11 0.04 -0.04 1.46 1.24 2dg5A1 LYS 331 HG3 -0.08 0.23 0.10 -0.04 1.46 1.66 2dg5A1 LYS 331 HD2 -0.13 -0.00 0.06 -0.04 1.69 1.58 2dg5A1 LYS 331 HD3 -0.18 0.04 -0.01 -0.04 1.68 1.50 2dg5A1 LYS 331 HE2 -0.09 -0.13 -0.02 -0.04 2.99 2.71 2dg5A1 LYS 331 HE3 -0.08 0.01 -0.09 -0.04 2.99 2.79 2dg5A1 TYR 332 H 0.02 0.41 -0.12 -0.55 8.29 8.04 2dg5A1 TYR 332 HA 0.04 0.04 0.36 -0.75 4.56 4.24 2dg5A1 TYR 332 HB2 -0.02 0.13 0.10 -0.04 3.06 3.23 2dg5A1 TYR 332 HB3 0.00 -0.06 0.02 -0.04 2.98 2.90 2dg5A1 TYR 332 HD2 0.01 0.05 0.04 -0.04 7.15 7.21 2dg5A1 TYR 332 HE2 0.01 -0.02 -0.06 -0.04 6.85 6.74 2dg5A1 ALA 333 H 0.11 0.41 -0.25 -0.55 8.40 8.12 2dg5A1 ALA 333 HA 0.07 0.02 0.42 -0.75 4.34 4.09 2dg5A1 ALA 333 HB3 -0.09 0.02 0.08 -0.04 1.41 1.37 2dg5A1 TYR 334 H 0.08 0.66 -0.05 -0.55 8.29 8.43 2dg5A1 TYR 334 HA -0.24 -0.02 0.46 -0.75 4.56 4.01 2dg5A1 TYR 334 HB2 -0.09 0.16 0.11 -0.04 3.06 3.20 2dg5A1 TYR 334 HB3 -0.08 -0.03 0.01 -0.04 2.98 2.83 2dg5A1 TYR 334 HD2 -0.08 0.16 0.00 -0.04 7.15 7.20 2dg5A1 TYR 334 HE2 -0.04 -0.02 -0.05 -0.04 6.85 6.70 2dg5A1 ALA 335 H 0.05 0.48 -0.31 -0.55 8.40 8.07 2dg5A1 ALA 335 HA 0.02 0.05 0.40 -0.75 4.34 4.06 2dg5A1 ALA 335 HB3 0.04 0.03 -0.14 -0.04 1.41 1.30 2dg5A1 ASP 336 H 0.10 0.56 -0.13 -0.55 8.40 8.38 2dg5A1 ASP 336 HA 0.21 -0.03 0.45 -0.75 4.63 4.51 2dg5A1 ASP 336 HB2 0.25 0.18 0.19 -0.04 2.71 3.29 2dg5A1 ASP 336 HB3 0.43 -0.08 0.01 -0.04 2.70 3.02 2dg5A1 ARG 337 H -0.09 0.51 -0.24 -0.55 8.46 8.10 2dg5A1 ARG 337 HA 0.29 -0.07 0.37 -0.75 4.34 4.18 2dg5A1 ARG 337 HB2 -0.68 0.03 0.09 -0.04 1.90 1.30 2dg5A1 ARG 337 HB3 -0.10 0.19 0.13 -0.04 1.80 1.98 2dg5A1 ARG 337 HG2 0.07 0.06 -0.17 -0.04 1.67 1.58 2dg5A1 ARG 337 HG3 0.20 -0.11 0.01 -0.04 1.67 1.72 2dg5A1 ARG 337 HD2 -0.27 -0.03 -0.05 -0.04 3.22 2.82 2dg5A1 ARG 337 HD3 0.07 0.06 -0.05 -0.04 3.22 3.26 2dg5A1 SER 338 H 0.01 0.44 -0.31 -0.55 8.46 8.05 2dg5A1 SER 338 HA 0.02 0.02 0.35 -0.75 4.49 4.13 2dg5A1 SER 338 HB2 -0.01 -0.07 0.11 -0.04 3.95 3.95 2dg5A1 SER 338 HB3 0.01 0.01 0.13 -0.04 3.93 4.05 2dg5A1 GLU 339 H -0.09 0.25 -0.45 -0.55 8.60 7.77 2dg5A1 GLU 339 HA -0.15 0.20 0.99 -0.75 4.29 4.58 2dg5A1 GLU 339 HB2 -0.26 -0.01 0.00 -0.04 2.09 1.78 2dg5A1 GLU 339 HB3 -0.67 0.02 0.14 -0.04 1.99 1.44 2dg5A1 GLU 339 HG2 -0.65 -0.04 -0.03 -0.04 2.34 1.59 2dg5A1 GLU 339 HG3 -1.05 -0.00 -0.25 -0.04 2.34 1.00 2dg5A1 TYR 340 H -0.02 0.52 0.17 -0.55 8.29 8.40 2dg5A1 TYR 340 HA 0.05 0.24 0.87 -0.75 4.56 4.97 2dg5A1 TYR 340 HB2 0.08 0.04 0.02 -0.04 3.06 3.15 2dg5A1 TYR 340 HB3 0.05 -0.09 0.10 -0.04 2.98 3.00 2dg5A1 TYR 340 HD2 0.06 0.04 0.03 -0.04 7.15 7.23 2dg5A1 TYR 340 HE2 0.04 -0.06 -0.01 -0.04 6.85 6.78 2dg5A1 LEU 341 H 0.12 0.35 -0.03 -0.55 8.37 8.27 2dg5A1 LEU 341 HA 0.11 0.10 0.86 -0.75 4.35 4.67 2dg5A1 LEU 341 HB2 0.14 0.24 0.16 -0.04 1.64 2.14 2dg5A1 LEU 341 HB3 0.08 -0.03 -0.13 -0.04 1.64 1.52 2dg5A1 LEU 341 HG 0.18 -0.06 -0.02 -0.04 1.64 1.70 2dg5A1 LEU 341 HD13 -0.01 -0.01 -0.07 -0.04 0.93 0.80 2dg5A1 LEU 341 HD23 0.15 0.02 -0.29 -0.04 0.89 0.73 2dg5A1 GLY 342 H 0.08 0.28 0.15 -0.55 8.43 8.39 2dg5A1 GLY 342 HA2 0.06 0.08 0.34 -0.51 4.01 3.98 2dg5A1 GLY 342 HA3 0.07 0.11 0.23 -0.51 4.01 3.91 2dg5A1 ASP 343 H 0.05 0.18 0.10 -0.55 8.40 8.19 2dg5A1 ASP 343 HA 0.10 0.08 0.48 -0.75 4.63 4.54 2dg5A1 ASP 343 HB2 0.03 0.10 0.15 -0.04 2.71 2.94 2dg5A1 ASP 343 HB3 0.11 -0.03 0.16 -0.04 2.70 2.91 2dg5A1 PRO 344 HA 0.10 0.41 0.54 -0.51 4.44 4.99 2dg5A1 PRO 344 HB2 0.05 0.00 0.07 -0.04 2.28 2.36 2dg5A1 PRO 344 HB3 0.05 -0.02 0.18 -0.04 2.02 2.20 2dg5A1 PRO 344 HG2 0.06 0.00 -0.01 -0.04 2.03 2.04 2dg5A1 PRO 344 HG3 0.02 0.25 -0.10 -0.04 2.03 2.16 2dg5A1 PRO 344 HD2 0.10 0.06 0.12 -0.04 3.68 3.92 2dg5A1 PRO 344 HD3 0.06 0.08 0.10 -0.04 3.65 3.85 2dg5A1 ASP 345 H 0.17 0.07 -0.37 -0.55 8.40 7.72 2dg5A1 ASP 345 HA -0.02 0.11 0.50 -0.75 4.63 4.47 2dg5A1 ASP 345 HB2 0.19 0.01 -0.03 -0.04 2.71 2.84 2dg5A1 ASP 345 HB3 -0.14 0.02 0.08 -0.04 2.70 2.62 2dg5A1 PHE 346 H 0.28 0.30 -0.35 -0.55 8.34 8.03 2dg5A1 PHE 346 HA 0.02 0.19 0.92 -0.75 4.62 4.99 2dg5A1 PHE 346 HB2 0.03 0.02 0.03 -0.04 3.15 3.19 2dg5A1 PHE 346 HB3 0.03 -0.02 -0.01 -0.04 3.06 3.02 2dg5A1 PHE 346 HD2 0.02 -0.09 -0.12 -0.04 7.28 7.05 2dg5A1 PHE 346 HE2 0.01 -0.00 -0.06 -0.04 7.38 7.29 2dg5A1 PHE 346 HZ 0.01 0.02 -0.05 -0.04 7.32 7.26 2dg5A1 VAL 347 H 0.17 0.43 0.11 -0.55 8.24 8.40 2dg5A1 VAL 347 HA 0.10 0.14 0.80 -0.75 4.13 4.42 2dg5A1 VAL 347 HB 0.11 -0.00 -0.20 -0.04 2.12 1.99 2dg5A1 VAL 347 HG13 0.11 0.04 -0.36 -0.04 0.97 0.72 2dg5A1 VAL 347 HG23 0.09 0.04 -0.10 -0.04 0.95 0.93 2dg5A1 LYS 348 H 0.08 0.13 0.07 -0.55 8.42 8.15 2dg5A1 LYS 348 HA 0.09 0.12 0.68 -0.75 4.32 4.46 2dg5A1 LYS 348 HB2 0.05 0.01 0.06 -0.04 1.87 1.95 2dg5A1 LYS 348 HB3 0.06 -0.02 0.13 -0.04 1.79 1.92 2dg5A1 LYS 348 HG2 0.05 -0.01 -0.26 -0.04 1.46 1.20 2dg5A1 LYS 348 HG3 0.08 0.02 0.01 -0.04 1.46 1.53 2dg5A1 LYS 348 HD2 0.03 0.01 -0.01 -0.04 1.69 1.68 2dg5A1 LYS 348 HD3 0.02 -0.02 -0.03 -0.04 1.68 1.61 2dg5A1 LYS 348 HE2 0.04 0.01 -0.01 -0.04 2.99 2.99 2dg5A1 LYS 348 HE3 0.00 -0.02 -0.02 -0.04 2.99 2.92 2dg5A1 VAL 349 H 0.15 0.17 0.22 -0.55 8.24 8.23 2dg5A1 VAL 349 HA 0.13 0.37 0.78 -0.75 4.13 4.65 2dg5A1 VAL 349 HB 0.20 -0.09 0.21 -0.04 2.12 2.39 2dg5A1 VAL 349 HG13 0.14 0.00 -0.13 -0.04 0.97 0.95 2dg5A1 VAL 349 HG23 0.11 0.09 -0.01 -0.04 0.95 1.10 2dg5A1 PRO 350 HA -0.15 0.07 0.52 -0.51 4.44 4.37 2dg5A1 PRO 350 HB2 -0.27 -0.10 0.18 -0.04 2.28 2.05 2dg5A1 PRO 350 HB3 -0.16 0.08 0.08 -0.04 2.02 1.98 2dg5A1 PRO 350 HG2 -0.25 -0.03 0.03 -0.04 2.03 1.74 2dg5A1 PRO 350 HG3 -0.47 0.07 0.07 -0.04 2.03 1.66 2dg5A1 PRO 350 HD2 0.12 0.28 0.24 -0.04 3.68 4.27 2dg5A1 PRO 350 HD3 0.06 0.29 0.21 -0.04 3.65 4.18 2dg5A1 TRP 351 H 0.19 0.62 -0.19 -0.55 7.97 8.04 2dg5A1 TRP 351 HA -0.07 0.06 0.28 -0.75 4.62 4.14 2dg5A1 TRP 351 HB2 -0.05 -0.01 0.02 -0.04 3.23 3.15 2dg5A1 TRP 351 HB3 -0.04 0.05 0.05 -0.04 3.23 3.25 2dg5A1 TRP 351 HD1 -0.02 0.24 0.19 -0.04 7.22 7.59 2dg5A1 TRP 351 HE1 -0.01 0.02 0.07 -0.04 10.20 10.25 2dg5A1 TRP 351 HE3 -0.03 -0.02 -0.26 -0.04 7.59 7.23 2dg5A1 TRP 351 HZ2 -0.00 0.01 0.02 -0.04 7.44 7.43 2dg5A1 TRP 351 HZ3 -0.02 0.03 -0.02 -0.04 7.13 7.08 2dg5A1 TRP 351 HH2 -0.00 0.00 0.01 -0.04 7.19 7.16 2dg5A1 GLN 352 H -1.18 0.12 -0.13 -0.55 8.47 6.73 2dg5A1 GLN 352 HA -0.55 0.11 0.39 -0.75 4.36 3.56 2dg5A1 GLN 352 HB2 -0.59 -0.02 0.08 -0.04 2.15 1.58 2dg5A1 GLN 352 HB3 -0.53 0.04 0.03 -0.04 2.02 1.53 2dg5A1 GLN 352 HG2 -1.00 0.03 0.04 -0.04 2.40 1.44 2dg5A1 GLN 352 HG3 -3.45 -0.01 0.03 -0.04 2.39 -1.08 2dg5A1 GLN 352 HE21 -0.26 0.03 0.03 -0.04 6.97 6.73 2dg5A1 GLN 352 HE22 -0.37 0.01 0.03 -0.04 7.69 7.31 2dg5A1 ALA 353 H -0.31 0.06 -0.22 -0.55 8.40 7.38 2dg5A1 ALA 353 HA -0.14 0.14 0.42 -0.75 4.34 4.01 2dg5A1 ALA 353 HB3 -0.24 0.02 -0.03 -0.04 1.41 1.11 2dg5A1 LEU 354 H -0.15 0.48 -0.15 -0.55 8.37 8.01 2dg5A1 LEU 354 HA 0.03 0.03 0.33 -0.75 4.35 3.98 2dg5A1 LEU 354 HB2 0.01 0.03 0.02 -0.04 1.64 1.66 2dg5A1 LEU 354 HB3 0.05 -0.03 -0.05 -0.04 1.64 1.58 2dg5A1 LEU 354 HG -0.18 0.07 -0.01 -0.04 1.64 1.48 2dg5A1 LEU 354 HD13 0.06 -0.02 -0.19 -0.04 0.93 0.73 2dg5A1 LEU 354 HD23 0.08 -0.01 -0.05 -0.04 0.89 0.87 2dg5A1 THR 355 H 0.00 0.36 -0.47 -0.55 8.28 7.61 2dg5A1 THR 355 HA 0.05 0.15 0.76 -0.75 4.39 4.59 2dg5A1 THR 355 HB 0.07 -0.05 0.13 -0.04 4.32 4.43 2dg5A1 THR 355 HG23 0.08 -0.01 -0.07 -0.04 1.22 1.18 2dg5A1 ASN 356 H 0.00 0.40 -0.34 -0.55 8.53 8.05 2dg5A1 ASN 356 HA -0.02 0.02 0.62 -0.75 4.76 4.63 2dg5A1 ASN 356 HB2 -0.06 0.22 0.23 -0.04 2.88 3.23 2dg5A1 ASN 356 HB3 -0.08 0.15 0.28 -0.04 2.79 3.10 2dg5A1 ASN 356 HD21 0.08 -0.04 0.07 -0.04 7.03 7.10 2dg5A1 ASN 356 HD22 -0.00 0.14 0.07 -0.04 7.74 7.91 2dg5A1 LYS 357 H -0.01 0.18 0.24 -0.55 8.42 8.28 2dg5A1 LYS 357 HA -0.03 0.16 0.46 -0.75 4.32 4.16 2dg5A1 LYS 357 HB2 -0.00 -0.04 0.16 -0.04 1.87 1.95 2dg5A1 LYS 357 HB3 -0.01 0.04 0.06 -0.04 1.79 1.84 2dg5A1 LYS 357 HG2 0.01 0.06 0.10 -0.04 1.46 1.59 2dg5A1 LYS 357 HG3 0.01 0.04 0.14 -0.04 1.46 1.62 2dg5A1 LYS 357 HD2 0.01 -0.04 0.07 -0.04 1.69 1.69 2dg5A1 LYS 357 HD3 0.00 0.02 0.06 -0.04 1.68 1.72 2dg5A1 LYS 357 HE2 0.02 -0.03 0.11 -0.04 2.99 3.05 2dg5A1 LYS 357 HE3 0.02 -0.06 0.07 -0.04 2.99 2.98 2dg5A1 ALA 358 H -0.02 0.10 -0.10 -0.55 8.40 7.84 2dg5A1 ALA 358 HA -0.01 0.11 0.48 -0.75 4.34 4.17 2dg5A1 ALA 358 HB3 0.15 0.02 0.06 -0.04 1.41 1.60 2dg5A1 TYR 359 H -0.30 0.12 -0.29 -0.55 8.29 7.28 2dg5A1 TYR 359 HA -1.08 0.05 0.42 -0.75 4.56 3.19 2dg5A1 TYR 359 HB2 -1.23 -0.06 0.08 -0.04 3.06 1.82 2dg5A1 TYR 359 HB3 -0.41 0.25 0.13 -0.04 2.98 2.91 2dg5A1 TYR 359 HD2 -0.23 0.08 -0.02 -0.04 7.15 6.94 2dg5A1 TYR 359 HE2 0.02 -0.02 -0.08 -0.04 6.85 6.73 2dg5A1 ALA 360 H -0.16 0.43 -0.17 -0.55 8.40 7.95 2dg5A1 ALA 360 HA -0.34 0.03 0.35 -0.75 4.34 3.63 2dg5A1 ALA 360 HB3 -0.07 0.05 -0.09 -0.04 1.41 1.25 2dg5A1 LYS 361 H -0.12 0.43 -0.33 -0.55 8.42 7.84 2dg5A1 LYS 361 HA -0.09 0.05 0.48 -0.75 4.32 4.01 2dg5A1 LYS 361 HB2 -0.06 0.05 0.15 -0.04 1.87 1.97 2dg5A1 LYS 361 HB3 -0.05 0.12 0.19 -0.04 1.79 2.01 2dg5A1 LYS 361 HG2 -0.03 -0.05 0.01 -0.04 1.46 1.34 2dg5A1 LYS 361 HG3 -0.04 -0.01 -0.18 -0.04 1.46 1.19 2dg5A1 LYS 361 HD2 -0.10 -0.02 0.13 -0.04 1.69 1.66 2dg5A1 LYS 361 HD3 -0.08 0.02 0.05 -0.04 1.68 1.64 2dg5A1 LYS 361 HE2 -0.05 -0.03 0.01 -0.04 2.99 2.87 2dg5A1 LYS 361 HE3 -0.06 -0.02 0.00 -0.04 2.99 2.87 2dg5A1 SER 362 H -0.14 0.43 -0.23 -0.55 8.46 7.98 2dg5A1 SER 362 HA -0.03 -0.00 0.39 -0.75 4.49 4.09 2dg5A1 SER 362 HB2 0.07 -0.07 0.08 -0.04 3.95 3.99 2dg5A1 SER 362 HB3 0.10 0.02 0.14 -0.04 3.93 4.15 2dg5A1 ILE 363 H -0.29 0.33 -0.42 -0.55 8.25 7.32 2dg5A1 ILE 363 HA -0.43 0.06 0.57 -0.75 4.18 3.63 2dg5A1 ILE 363 HB -0.34 0.16 0.18 -0.04 1.89 1.84 2dg5A1 ILE 363 HG12 -0.54 -0.05 -0.01 -0.04 1.49 0.85 2dg5A1 ILE 363 HG13 -0.69 0.13 -0.01 -0.04 1.21 0.60 2dg5A1 ILE 363 HG23 -0.73 -0.02 -0.10 -0.04 0.93 0.04 2dg5A1 ILE 363 HD13 -0.58 -0.03 -0.07 -0.04 0.88 0.16 2dg5A1 ALA 364 H -0.12 0.62 0.10 -0.55 8.40 8.44 2dg5A1 ALA 364 HA 0.17 -0.01 0.41 -0.75 4.34 4.16 2dg5A1 ALA 364 HB3 -0.06 0.03 0.18 -0.04 1.41 1.52 2dg5A1 ASP 365 H -0.06 0.54 -0.25 -0.55 8.40 8.08 2dg5A1 ASP 365 HA -0.01 0.03 0.40 -0.75 4.63 4.30 2dg5A1 ASP 365 HB2 -0.03 0.10 0.04 -0.04 2.71 2.78 2dg5A1 ASP 365 HB3 -0.01 -0.08 0.06 -0.04 2.70 2.63 2dg5A1 GLN 366 H -0.06 0.43 -0.60 -0.55 8.47 7.69 2dg5A1 GLN 366 HA 0.02 0.04 0.60 -0.75 4.36 4.27 2dg5A1 GLN 366 HB2 -0.18 0.19 0.12 -0.04 2.15 2.24 2dg5A1 GLN 366 HB3 0.06 -0.10 0.08 -0.04 2.02 2.01 2dg5A1 GLN 366 HG2 0.00 -0.09 0.02 -0.04 2.40 2.29 2dg5A1 GLN 366 HG3 -0.08 0.27 0.10 -0.04 2.39 2.65 2dg5A1 GLN 366 HE21 -0.06 -0.11 -0.03 -0.04 6.97 6.73 2dg5A1 GLN 366 HE22 -0.13 0.31 -0.07 -0.04 7.69 7.76 2dg5A1 ILE 367 H 0.08 0.40 -0.21 -0.55 8.25 7.97 2dg5A1 ILE 367 HA 0.09 0.01 0.54 -0.75 4.18 4.07 2dg5A1 ILE 367 HB 0.24 0.13 0.15 -0.04 1.89 2.37 2dg5A1 ILE 367 HG12 0.15 -0.06 -0.09 -0.04 1.49 1.44 2dg5A1 ILE 367 HG13 0.04 0.18 0.01 -0.04 1.21 1.40 2dg5A1 ILE 367 HG23 -0.08 -0.04 -0.26 -0.04 0.93 0.50 2dg5A1 ILE 367 HD13 0.04 -0.01 -0.04 -0.04 0.88 0.83 2dg5A1 ASP 368 H 0.05 0.25 0.18 -0.55 8.40 8.33 2dg5A1 ASP 368 HA 0.05 0.12 0.77 -0.75 4.63 4.81 2dg5A1 ASP 368 HB2 0.03 0.11 0.08 -0.04 2.71 2.89 2dg5A1 ASP 368 HB3 0.02 0.29 0.28 -0.04 2.70 3.25 2dg5A1 ILE 369 H 0.03 0.23 0.07 -0.55 8.25 8.04 2dg5A1 ILE 369 HA -0.09 0.14 0.24 -0.75 4.18 3.72 2dg5A1 ILE 369 HB -0.00 0.06 0.07 -0.04 1.89 1.97 2dg5A1 ILE 369 HG12 -0.15 -0.02 0.03 -0.04 1.49 1.31 2dg5A1 ILE 369 HG13 -0.23 0.11 0.08 -0.04 1.21 1.13 2dg5A1 ILE 369 HG23 0.01 -0.01 -0.09 -0.04 0.93 0.80 2dg5A1 ILE 369 HD13 -0.29 -0.03 -0.01 -0.04 0.88 0.51 2dg5A1 ASN 370 H -0.01 -0.01 -0.52 -0.55 8.53 7.45 2dg5A1 ASN 370 HA -0.03 0.23 0.86 -0.75 4.76 5.06 2dg5A1 ASN 370 HB2 -0.00 -0.01 -0.02 -0.04 2.88 2.80 2dg5A1 ASN 370 HB3 -0.01 -0.00 0.09 -0.04 2.79 2.82 2dg5A1 ASN 370 HD21 0.00 -0.00 -0.05 -0.04 7.03 6.94 2dg5A1 ASN 370 HD22 0.01 0.00 -0.03 -0.04 7.74 7.67 2dg5A1 LYS 371 H -0.01 0.42 -0.25 -0.55 8.42 8.02 2dg5A1 LYS 371 HA -0.02 0.06 0.69 -0.75 4.32 4.30 2dg5A1 LYS 371 HB2 -0.00 0.00 -0.27 -0.04 1.87 1.56 2dg5A1 LYS 371 HB3 0.00 -0.04 0.03 -0.04 1.79 1.74 2dg5A1 LYS 371 HG2 -0.00 0.18 -0.23 -0.04 1.46 1.37 2dg5A1 LYS 371 HG3 -0.01 -0.02 0.05 -0.04 1.46 1.43 2dg5A1 LYS 371 HD2 0.00 -0.04 -0.03 -0.04 1.69 1.58 2dg5A1 LYS 371 HD3 0.01 -0.02 -0.05 -0.04 1.68 1.58 2dg5A1 LYS 371 HE2 -0.00 -0.02 -0.00 -0.04 2.99 2.92 2dg5A1 LYS 371 HE3 0.00 -0.05 -0.01 -0.04 2.99 2.89 2dg5A1 ALA 372 H -0.02 0.08 0.07 -0.55 8.40 7.98 2dg5A1 ALA 372 HA -0.02 0.11 0.48 -0.75 4.34 4.16 2dg5A1 ALA 372 HB3 -0.04 0.01 0.00 -0.04 1.41 1.34 2dg5A1 LYS 373 H -0.02 0.16 0.14 -0.55 8.42 8.16 2dg5A1 LYS 373 HA -0.01 0.17 0.78 -0.75 4.32 4.51 2dg5A1 LYS 373 HB2 0.04 0.06 0.06 -0.04 1.87 1.99 2dg5A1 LYS 373 HB3 -0.01 -0.03 0.12 -0.04 1.79 1.83 2dg5A1 LYS 373 HG2 -0.03 0.13 -0.32 -0.04 1.46 1.20 2dg5A1 LYS 373 HG3 0.02 -0.03 -0.01 -0.04 1.46 1.39 2dg5A1 LYS 373 HD2 0.05 -0.04 -0.10 -0.04 1.69 1.55 2dg5A1 LYS 373 HD3 0.05 0.10 -0.16 -0.04 1.68 1.63 2dg5A1 LYS 373 HE2 0.08 -0.04 0.00 -0.04 2.99 2.99 2dg5A1 LYS 373 HE3 0.13 0.05 0.01 -0.04 2.99 3.14 2dg5A1 PRO 374 HA -0.04 0.03 0.39 -0.51 4.44 4.31 2dg5A1 PRO 374 HB2 -0.02 -0.05 0.03 -0.04 2.28 2.20 2dg5A1 PRO 374 HB3 -0.03 0.01 0.10 -0.04 2.02 2.06 2dg5A1 PRO 374 HG2 -0.01 0.04 0.07 -0.04 2.03 2.08 2dg5A1 PRO 374 HG3 -0.02 0.06 0.04 -0.04 2.03 2.07 2dg5A1 PRO 374 HD2 -0.01 0.08 0.18 -0.04 3.68 3.88 2dg5A1 PRO 374 HD3 -0.01 0.36 0.27 -0.04 3.65 4.22 2dg5A1 SER 375 H -0.06 0.14 0.18 -0.55 8.46 8.17 2dg5A1 SER 375 HA -0.10 0.16 0.41 -0.75 4.49 4.21 2dg5A1 SER 375 HB2 -0.05 -0.05 0.09 -0.04 3.95 3.89 2dg5A1 SER 375 HB3 -0.06 0.08 0.07 -0.04 3.93 3.98 2dg5A1 SER 376 H -0.04 -0.01 -0.34 -0.55 8.46 7.53 2dg5A1 SER 376 HA -0.02 0.12 0.38 -0.75 4.49 4.21 2dg5A1 SER 376 HB2 -0.01 0.03 0.04 -0.04 3.95 3.97 2dg5A1 SER 376 HB3 -0.02 -0.03 0.06 -0.04 3.93 3.89 2dg5A1 GLU 377 H -0.03 0.46 -0.55 -0.55 8.60 7.93 2dg5A1 GLU 377 HA 0.00 0.13 0.71 -0.75 4.29 4.38 2dg5A1 GLU 377 HB2 -0.01 0.14 -0.03 -0.04 2.09 2.15 2dg5A1 GLU 377 HB3 0.02 -0.03 0.11 -0.04 1.99 2.04 2dg5A1 GLU 377 HG2 0.00 0.00 -0.10 -0.04 2.34 2.21 2dg5A1 GLU 377 HG3 -0.01 -0.12 -0.13 -0.04 2.34 2.04 2dg5A1 ILE 378 H -0.04 0.47 -0.35 -0.55 8.25 7.78 2dg5A1 ILE 378 HA 0.02 0.12 0.92 -0.75 4.18 4.49 2dg5A1 ILE 378 HB -0.14 0.01 0.11 -0.04 1.89 1.82 2dg5A1 ILE 378 HG12 -0.24 0.03 -0.12 -0.04 1.49 1.12 2dg5A1 ILE 378 HG13 -0.13 -0.00 -0.37 -0.04 1.21 0.67 2dg5A1 ILE 378 HG23 -0.21 -0.02 -0.25 -0.04 0.93 0.41 2dg5A1 ILE 378 HD13 -0.51 -0.04 -0.11 -0.04 0.88 0.18 2dg5A1 ARG 379 H 0.08 0.18 0.09 -0.55 8.46 8.26 2dg5A1 ARG 379 HA 0.03 0.20 0.80 -0.75 4.34 4.61 2dg5A1 ARG 379 HB2 0.07 -0.02 -0.05 -0.04 1.90 1.85 2dg5A1 ARG 379 HB3 0.04 0.04 0.07 -0.04 1.80 1.91 2dg5A1 ARG 379 HG2 0.03 -0.03 -0.45 -0.04 1.67 1.18 2dg5A1 ARG 379 HG3 0.03 -0.05 -0.11 -0.04 1.67 1.50 2dg5A1 ARG 379 HD2 0.01 0.24 -0.08 -0.04 3.22 3.35 2dg5A1 ARG 379 HD3 0.01 -0.03 -0.10 -0.04 3.22 3.05 2dg5A1 PRO 380 HA 0.17 -0.04 0.25 -0.51 4.44 4.32 2dg5A1 PRO 380 HB2 0.00 0.00 0.02 -0.04 2.28 2.26 2dg5A1 PRO 380 HB3 -0.10 0.00 0.05 -0.04 2.02 1.93 2dg5A1 PRO 380 HG2 -0.10 0.02 0.04 -0.04 2.03 1.95 2dg5A1 PRO 380 HG3 -0.04 0.28 -0.01 -0.04 2.03 2.22 2dg5A1 PRO 380 HD2 0.01 0.06 0.15 -0.04 3.68 3.87 2dg5A1 PRO 380 HD3 0.01 0.15 0.16 -0.04 3.65 3.92 2dg5A1 GLY 381 H 0.35 0.04 0.13 -0.55 8.43 8.41 2dg5A1 GLY 381 HA2 0.25 0.10 0.36 -0.51 4.01 4.21 2dg5A1 GLY 381 HA3 0.40 0.02 0.26 -0.51 4.01 4.17 2dg5A1 LYS 382 H 0.19 0.18 0.10 -0.55 8.42 8.34 2dg5A1 LYS 382 HA 0.09 0.11 0.72 -0.75 4.32 4.49 2dg5A1 LYS 382 HB2 0.09 0.01 0.20 -0.04 1.87 2.13 2dg5A1 LYS 382 HB3 0.04 -0.07 0.06 -0.04 1.79 1.79 2dg5A1 LYS 382 HG2 0.08 0.05 -0.02 -0.04 1.46 1.53 2dg5A1 LYS 382 HG3 0.10 0.05 -0.00 -0.04 1.46 1.57 2dg5A1 LYS 382 HD2 0.06 0.00 0.02 -0.04 1.69 1.73 2dg5A1 LYS 382 HD3 0.04 -0.04 0.01 -0.04 1.68 1.65 2dg5A1 LYS 382 HE2 0.05 0.01 -0.02 -0.04 2.99 2.99 2dg5A1 LYS 382 HE3 0.06 0.05 -0.02 -0.04 2.99 3.04 2dg5A1 LEU 383 H -0.05 0.25 0.07 -0.55 8.37 8.09 2dg5A1 LEU 383 HA -0.11 0.18 0.52 -0.75 4.35 4.18 2dg5A1 LEU 383 HB2 -0.26 0.03 -0.02 -0.04 1.64 1.35 2dg5A1 LEU 383 HB3 -0.30 -0.05 -0.00 -0.04 1.64 1.24 2dg5A1 LEU 383 HG -0.39 0.16 -0.10 -0.04 1.64 1.27 2dg5A1 LEU 383 HD13 -0.94 0.00 -0.03 -0.04 0.93 -0.07 2dg5A1 LEU 383 HD23 -0.68 -0.01 -0.31 -0.04 0.89 -0.15 2dg5A1 ALA 384 H -0.06 0.08 -0.16 -0.55 8.40 7.72 2dg5A1 ALA 384 HA -0.09 0.06 0.33 -0.75 4.34 3.90 2dg5A1 ALA 384 HB3 -0.06 0.02 0.04 -0.04 1.41 1.38 2dg5A1 PRO 385 HA -0.24 0.08 0.44 -0.51 4.44 4.21 2dg5A1 PRO 385 HB2 -0.65 0.02 0.04 -0.04 2.28 1.66 2dg5A1 PRO 385 HB3 -0.27 -0.00 0.06 -0.04 2.02 1.77 2dg5A1 PRO 385 HG2 -0.92 0.09 -0.12 -0.04 2.03 1.03 2dg5A1 PRO 385 HG3 -0.25 0.05 -0.02 -0.04 2.03 1.77 2dg5A1 PRO 385 HD2 -0.12 0.07 -0.43 -0.04 3.68 3.16 2dg5A1 PRO 385 HD3 -0.13 0.07 -0.01 -0.04 3.65 3.54 2dg5A1 TYR 386 H -0.18 0.60 -0.58 -0.55 8.29 7.58 2dg5A1 TYR 386 HA -0.07 0.16 0.90 -0.75 4.56 4.80 2dg5A1 TYR 386 HB2 -0.22 0.08 0.05 -0.04 3.06 2.92 2dg5A1 TYR 386 HB3 -0.10 -0.07 0.18 -0.04 2.98 2.95 2dg5A1 TYR 386 HD2 -0.11 0.01 -0.05 -0.04 7.15 6.96 2dg5A1 TYR 386 HE2 0.10 0.03 -0.13 -0.04 6.85 6.81 2dg5A1 GLU 387 H -0.10 0.43 -0.09 -0.55 8.60 8.29 2dg5A1 GLU 387 HA -0.12 0.18 0.70 -0.75 4.29 4.30 2dg5A1 GLU 387 HB2 -0.13 -0.02 0.04 -0.04 2.09 1.94 2dg5A1 GLU 387 HB3 -0.15 -0.05 -0.12 -0.04 1.99 1.63 2dg5A1 GLU 387 HG2 -0.11 0.23 -0.10 -0.04 2.34 2.32 2dg5A1 GLU 387 HG3 -0.09 0.03 0.05 -0.04 2.34 2.29