============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. PHE 2 1.000 22.691 0.856 -3.912 -99.200 -91.000 TYR 4 0.840 16.748 -3.087 -13.462 -99.200 -91.000 PHE 34 1.000 1.255 -2.644 -13.720 -99.200 -91.000 TYR 44 0.840 17.193 -6.341 -8.700 -99.200 -91.000 PHE 46 1.000 19.274 -1.641 -0.014 -99.200 -91.000 PHE 53 1.000 27.723 -2.802 9.465 -99.200 -91.000 TYR 63 0.840 20.278 5.443 5.435 -99.200 -91.000 HIS 80 0.900 14.364 -2.678 -18.429 -99.200 -91.000 PHE 81 1.000 9.984 -8.018 -16.817 -99.200 -91.000 PHE 82 1.000 4.173 -5.437 -16.372 -99.200 -91.000 PHE 86 1.000 5.773 0.630 -12.959 -99.200 -91.000 PHE 101 1.000 14.568 6.450 7.430 -99.200 -91.000 TRP 110 1.040 20.972 -8.427 12.970 -99.200 -91.000 TRP6 110 1.020 19.262 -9.223 14.387 -99.200 -91.000 TRP 116 1.040 27.908 -3.536 21.957 -99.200 -91.000 TRP6 116 1.020 28.982 -1.631 22.857 -99.200 -91.000 TRP 125 1.040 35.910 -2.361 15.988 -99.200 -91.000 TRP6 125 1.020 33.713 -2.228 16.868 -99.200 -91.000 TYR 131 0.840 31.513 1.702 10.477 -99.200 -91.000 PHE 153 1.000 6.255 -5.871 20.239 -99.200 -91.000 TRP 155 1.040 5.899 0.318 24.712 -99.200 -91.000 TRP6 155 1.020 6.390 0.229 27.038 -99.200 -91.000 PHE 170 1.000 -0.879 3.676 35.852 -99.200 -91.000 PHE 197 1.000 17.438 -15.534 24.363 -99.200 -91.000 TRP 203 1.040 20.937 -13.026 20.211 -99.200 -91.000 TRP6 203 1.020 18.977 -11.978 19.403 -99.200 -91.000 TYR 222 0.840 8.111 -9.681 17.126 -99.200 -91.000 PHE 240 1.000 14.184 3.392 12.034 -99.200 -91.000 TYR 250 0.840 2.530 16.667 17.354 -99.200 -91.000 TYR 254 0.840 0.086 9.364 23.989 -99.200 -91.000 PHE 274 1.000 10.274 6.622 20.833 -99.200 -91.000 HIS 277 0.900 17.619 6.967 13.495 -99.200 -91.000 PHE 287 1.000 16.173 19.173 13.516 -99.200 -91.000 TYR 290 0.840 10.065 14.894 17.283 -99.200 -91.000 TYR 296 0.840 7.068 10.298 34.956 -99.200 -91.000 HIS 303 0.900 13.737 12.310 30.556 -99.200 -91.000 TYR 310 0.840 21.518 10.193 12.834 -99.200 -91.000 PHE 322 1.000 22.871 0.640 17.657 -99.200 -91.000 PHE 323 1.000 29.313 0.235 15.432 -99.200 -91.000 PHE 325 1.000 21.952 5.079 22.981 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3dw9A1 PRO 2 HA -0.23 -0.01 0.20 -0.51 4.44 3.89 3dw9A1 PRO 2 HB2 -0.09 -0.13 0.03 -0.04 2.28 2.05 3dw9A1 PRO 2 HB3 -0.14 -0.04 0.07 -0.04 2.02 1.87 3dw9A1 PRO 2 HG2 -0.17 0.05 -0.04 -0.04 2.03 1.83 3dw9A1 PRO 2 HG3 -0.23 -0.08 0.02 -0.04 2.03 1.70 3dw9A1 PRO 2 HD2 -0.46 0.06 -0.09 -0.04 3.68 3.16 3dw9A1 PRO 2 HD3 -0.71 -0.13 -0.01 -0.04 3.65 2.76 3dw9A1 PHE 3 H 0.10 0.02 0.10 -0.55 8.34 8.00 3dw9A1 PHE 3 HA -0.19 0.13 0.47 -0.75 4.62 4.28 3dw9A1 PHE 3 HB2 -0.01 0.03 0.17 -0.04 3.15 3.30 3dw9A1 PHE 3 HB3 -0.01 -0.12 0.09 -0.04 3.06 2.99 3dw9A1 PHE 3 HD2 -0.14 0.06 -0.02 -0.04 7.28 7.13 3dw9A1 PHE 3 HE2 0.13 0.03 0.01 -0.04 7.38 7.50 3dw9A1 PHE 3 HZ 0.15 -0.00 -0.02 -0.04 7.32 7.41 3dw9A1 THR 4 H 0.07 0.02 -0.15 -0.55 8.28 7.67 3dw9A1 THR 4 HA -0.10 0.06 0.70 -0.75 4.39 4.29 3dw9A1 THR 4 HB 0.03 -0.01 0.06 -0.04 4.32 4.36 3dw9A1 THR 4 HG23 0.03 0.04 -0.01 -0.04 1.22 1.25 3dw9A1 TYR 5 H 0.12 0.05 0.11 -0.55 8.29 8.03 3dw9A1 TYR 5 HA 0.22 0.14 0.25 -0.75 4.56 4.42 3dw9A1 TYR 5 HB2 0.02 0.03 0.12 -0.04 3.06 3.20 3dw9A1 TYR 5 HB3 0.03 -0.04 0.05 -0.04 2.98 2.98 3dw9A1 TYR 5 HD2 0.04 -0.02 -0.10 -0.04 7.15 7.02 3dw9A1 TYR 5 HE2 -0.08 -0.01 -0.08 -0.04 6.85 6.64 3dw9A1 SER 6 H -0.69 0.21 0.07 -0.55 8.46 7.50 3dw9A1 SER 6 HA -0.03 0.13 0.64 -0.75 4.49 4.47 3dw9A1 SER 6 HB2 -0.08 0.15 0.05 -0.04 3.95 4.03 3dw9A1 SER 6 HB3 -0.18 0.14 0.05 -0.04 3.93 3.91 3dw9A1 ILE 7 H 0.01 0.23 0.08 -0.55 8.25 8.03 3dw9A1 ILE 7 HA -0.08 0.09 0.29 -0.75 4.18 3.73 3dw9A1 ILE 7 HB -0.05 -0.01 0.07 -0.04 1.89 1.85 3dw9A1 ILE 7 HG12 -0.03 -0.03 0.02 -0.04 1.49 1.42 3dw9A1 ILE 7 HG13 0.01 0.02 0.04 -0.04 1.21 1.24 3dw9A1 ILE 7 HG23 -0.18 0.02 -0.04 -0.04 0.93 0.70 3dw9A1 ILE 7 HD13 -0.39 0.02 0.01 -0.04 0.88 0.48 3dw9A1 GLU 8 H -0.06 0.06 -0.26 -0.55 8.60 7.79 3dw9A1 GLU 8 HA -0.04 0.17 0.57 -0.75 4.29 4.24 3dw9A1 GLU 8 HB2 -0.03 0.03 0.07 -0.04 2.09 2.12 3dw9A1 GLU 8 HB3 -0.04 -0.05 0.10 -0.04 1.99 1.97 3dw9A1 GLU 8 HG2 -0.02 0.03 -0.21 -0.04 2.34 2.10 3dw9A1 GLU 8 HG3 -0.02 0.02 0.01 -0.04 2.34 2.31 3dw9A1 ALA 9 H -0.06 0.07 -0.01 -0.55 8.40 7.85 3dw9A1 ALA 9 HA -0.03 0.04 0.42 -0.75 4.34 4.02 3dw9A1 ALA 9 HB3 -0.15 0.04 0.09 -0.04 1.41 1.35 3dw9A1 THR 10 H -0.03 0.24 -0.62 -0.55 8.28 7.31 3dw9A1 THR 10 HA 0.12 0.06 0.48 -0.75 4.39 4.29 3dw9A1 THR 10 HB -0.07 0.02 0.07 -0.04 4.32 4.30 3dw9A1 THR 10 HG23 0.18 -0.01 -0.06 -0.04 1.22 1.29 3dw9A1 ARG 11 H 0.01 0.38 0.05 -0.55 8.46 8.35 3dw9A1 ARG 11 HA 0.11 0.09 0.61 -0.75 4.34 4.39 3dw9A1 ARG 11 HB2 -0.01 0.04 0.21 -0.04 1.90 2.10 3dw9A1 ARG 11 HB3 0.00 -0.03 0.14 -0.04 1.80 1.87 3dw9A1 ARG 11 HG2 0.03 0.01 0.06 -0.04 1.67 1.73 3dw9A1 ARG 11 HG3 0.08 -0.01 0.09 -0.04 1.67 1.79 3dw9A1 ARG 11 HD2 0.00 -0.02 0.01 -0.04 3.22 3.17 3dw9A1 ARG 11 HD3 -0.03 -0.02 0.02 -0.04 3.22 3.15 3dw9A1 ASN 12 H 0.01 0.62 -0.10 -0.55 8.53 8.52 3dw9A1 ASN 12 HA 0.01 -0.01 0.40 -0.75 4.76 4.40 3dw9A1 ASN 12 HB2 0.01 0.14 0.05 -0.04 2.88 3.04 3dw9A1 ASN 12 HB3 0.01 -0.07 -0.02 -0.04 2.79 2.67 3dw9A1 ASN 12 HD21 -0.02 -0.06 -0.08 -0.04 7.03 6.83 3dw9A1 ASN 12 HD22 -0.02 -0.00 -0.05 -0.04 7.74 7.63 3dw9A1 LEU 13 H 0.05 0.23 -0.56 -0.55 8.37 7.54 3dw9A1 LEU 13 HA 0.03 -0.08 0.37 -0.75 4.35 3.91 3dw9A1 LEU 13 HB2 0.02 0.16 0.04 -0.04 1.64 1.82 3dw9A1 LEU 13 HB3 0.02 -0.07 -0.20 -0.04 1.64 1.35 3dw9A1 LEU 13 HG 0.13 0.22 0.13 -0.04 1.64 2.08 3dw9A1 LEU 13 HD13 0.04 0.01 -0.03 -0.04 0.93 0.91 3dw9A1 LEU 13 HD23 0.12 -0.02 -0.03 -0.04 0.89 0.92 3dw9A1 ALA 14 H 0.01 0.05 0.18 -0.55 8.40 8.09 3dw9A1 ALA 14 HA 0.00 0.19 0.61 -0.75 4.34 4.39 3dw9A1 ALA 14 HB3 0.00 -0.01 0.13 -0.04 1.41 1.49 3dw9A1 THR 15 H -0.01 0.17 0.18 -0.55 8.28 8.07 3dw9A1 THR 15 HA -0.06 0.14 0.31 -0.75 4.39 4.03 3dw9A1 THR 15 HB -0.01 -0.04 0.17 -0.04 4.32 4.40 3dw9A1 THR 15 HG23 -0.01 0.01 -0.08 -0.04 1.22 1.09 3dw9A1 THR 16 H -0.01 0.03 -0.26 -0.55 8.28 7.49 3dw9A1 THR 16 HA -0.01 0.19 0.63 -0.75 4.39 4.45 3dw9A1 THR 16 HB -0.00 0.03 0.10 -0.04 4.32 4.41 3dw9A1 THR 16 HG23 -0.00 -0.00 -0.01 -0.04 1.22 1.16 3dw9A1 GLU 17 H -0.01 0.40 -0.34 -0.55 8.60 8.11 3dw9A1 GLU 17 HA 0.01 0.10 0.71 -0.75 4.29 4.36 3dw9A1 GLU 17 HB2 0.01 0.10 0.05 -0.04 2.09 2.21 3dw9A1 GLU 17 HB3 0.03 -0.01 0.09 -0.04 1.99 2.05 3dw9A1 GLU 17 HG2 0.02 0.01 0.02 -0.04 2.34 2.34 3dw9A1 GLU 17 HG3 0.01 -0.07 -0.11 -0.04 2.34 2.13 3dw9A1 ARG 18 H -0.03 0.23 -0.29 -0.55 8.46 7.82 3dw9A1 ARG 18 HA -0.06 0.01 0.50 -0.75 4.34 4.04 3dw9A1 ARG 18 HB2 -0.08 0.25 0.15 -0.04 1.90 2.19 3dw9A1 ARG 18 HB3 -0.09 -0.02 0.03 -0.04 1.80 1.67 3dw9A1 ARG 18 HG2 -0.21 -0.10 0.06 -0.04 1.67 1.38 3dw9A1 ARG 18 HG3 -0.10 0.10 -0.06 -0.04 1.67 1.57 3dw9A1 ARG 18 HD2 -0.19 0.02 0.09 -0.04 3.22 3.11 3dw9A1 ARG 18 HD3 -0.52 -0.05 0.04 -0.04 3.22 2.65 3dw9A1 CYS 19 H -0.09 0.13 0.14 -0.55 8.50 8.13 3dw9A1 CYS 19 HA -0.01 0.06 0.38 -0.75 4.58 4.27 3dw9A1 CYS 19 HB2 -0.09 0.00 0.06 -0.04 2.97 2.91 3dw9A1 CYS 19 HB3 -0.03 -0.07 0.04 -0.04 2.97 2.87 3dw9A1 ILE 20 H -0.01 0.11 -0.22 -0.55 8.25 7.58 3dw9A1 ILE 20 HA 0.12 0.27 0.97 -0.75 4.18 4.79 3dw9A1 ILE 20 HB 0.12 -0.01 -0.01 -0.04 1.89 1.95 3dw9A1 ILE 20 HG12 0.01 -0.11 -0.25 -0.04 1.49 1.10 3dw9A1 ILE 20 HG13 -0.16 -0.00 -0.05 -0.04 1.21 0.96 3dw9A1 ILE 20 HG23 0.32 -0.02 -0.20 -0.04 0.93 0.99 3dw9A1 ILE 20 HD13 0.33 0.01 -0.17 -0.04 0.88 1.01 3dw9A1 GLN 21 H 0.11 0.40 0.20 -0.55 8.47 8.63 3dw9A1 GLN 21 HA 0.05 0.24 0.93 -0.75 4.36 4.82 3dw9A1 GLN 21 HB2 0.03 -0.12 0.10 -0.04 2.15 2.12 3dw9A1 GLN 21 HB3 0.01 0.07 -0.05 -0.04 2.02 2.01 3dw9A1 GLN 21 HG2 0.03 0.00 -0.36 -0.04 2.40 2.02 3dw9A1 GLN 21 HG3 0.01 -0.07 -0.08 -0.04 2.39 2.22 3dw9A1 GLN 21 HE21 -0.01 0.04 0.01 -0.04 6.97 6.97 3dw9A1 GLN 21 HE22 0.00 0.54 -0.17 -0.04 7.69 8.02 3dw9A1 ASP 22 H 0.06 0.22 0.06 -0.55 8.40 8.19 3dw9A1 ASP 22 HA -0.36 0.07 0.52 -0.75 4.63 4.11 3dw9A1 ASP 22 HB2 0.02 0.03 0.10 -0.04 2.71 2.82 3dw9A1 ASP 22 HB3 0.01 0.02 0.18 -0.04 2.70 2.87 3dw9A1 ILE 23 H -0.36 0.66 0.30 -0.55 8.25 8.30 3dw9A1 ILE 23 HA -0.11 0.18 0.83 -0.75 4.18 4.32 3dw9A1 ILE 23 HB -0.08 0.17 0.05 -0.04 1.89 1.99 3dw9A1 ILE 23 HG12 -0.13 -0.03 -0.34 -0.04 1.49 0.94 3dw9A1 ILE 23 HG13 -0.15 0.15 -0.28 -0.04 1.21 0.89 3dw9A1 ILE 23 HG23 -0.05 0.02 -0.29 -0.04 0.93 0.57 3dw9A1 ILE 23 HD13 -0.05 -0.07 -0.15 -0.04 0.88 0.56 3dw9A1 ARG 24 H -0.31 0.10 -0.04 -0.55 8.46 7.65 3dw9A1 ARG 24 HA -0.21 0.14 0.42 -0.75 4.34 3.94 3dw9A1 ARG 24 HB2 -0.23 -0.05 0.12 -0.04 1.90 1.69 3dw9A1 ARG 24 HB3 -0.13 0.04 -0.03 -0.04 1.80 1.63 3dw9A1 ARG 24 HG2 -0.24 0.02 0.10 -0.04 1.67 1.51 3dw9A1 ARG 24 HG3 -0.65 0.05 0.13 -0.04 1.67 1.16 3dw9A1 ARG 24 HD2 -0.09 0.00 0.02 -0.04 3.22 3.11 3dw9A1 ARG 24 HD3 -0.15 0.04 0.03 -0.04 3.22 3.09 3dw9A1 ASN 25 H -0.10 0.04 -0.25 -0.55 8.53 7.68 3dw9A1 ASN 25 HA -0.05 0.17 0.56 -0.75 4.76 4.68 3dw9A1 ASN 25 HB2 -0.04 -0.05 -0.01 -0.04 2.88 2.75 3dw9A1 ASN 25 HB3 -0.03 0.02 -0.06 -0.04 2.79 2.68 3dw9A1 ASN 25 HD21 -0.01 -0.01 0.03 -0.04 7.03 7.00 3dw9A1 ASN 25 HD22 -0.01 -0.00 -0.02 -0.04 7.74 7.67 3dw9A1 ALA 26 H -0.07 0.13 -0.61 -0.55 8.40 7.30 3dw9A1 ALA 26 HA -0.03 0.12 0.44 -0.75 4.34 4.12 3dw9A1 ALA 26 HB3 -0.03 0.00 0.03 -0.04 1.41 1.37 3dw9A1 PRO 27 HA -0.06 0.15 0.30 -0.51 4.44 4.32 3dw9A1 PRO 27 HB2 -0.04 0.07 -0.19 -0.04 2.28 2.08 3dw9A1 PRO 27 HB3 -0.06 0.13 0.03 -0.04 2.02 2.08 3dw9A1 PRO 27 HG2 -0.03 -0.07 -0.05 -0.04 2.03 1.84 3dw9A1 PRO 27 HG3 -0.04 0.04 -0.02 -0.04 2.03 1.97 3dw9A1 PRO 27 HD2 -0.03 0.06 -0.01 -0.04 3.68 3.66 3dw9A1 PRO 27 HD3 -0.04 0.12 -0.26 -0.04 3.65 3.43 3dw9A1 VAL 28 H -0.04 0.15 0.12 -0.55 8.24 7.91 3dw9A1 VAL 28 HA -0.02 0.05 0.65 -0.75 4.13 4.05 3dw9A1 VAL 28 HB -0.02 -0.09 0.14 -0.04 2.12 2.10 3dw9A1 VAL 28 HG13 -0.01 0.06 -0.06 -0.04 0.97 0.92 3dw9A1 VAL 28 HG23 -0.02 0.00 0.05 -0.04 0.95 0.93 3dw9A1 ARG 29 H -0.02 0.14 0.17 -0.55 8.46 8.20 3dw9A1 ARG 29 HA -0.02 0.04 0.32 -0.75 4.34 3.93 3dw9A1 ASN 30 H -0.01 0.12 0.15 -0.55 8.53 8.24 3dw9A1 ASN 30 HA -0.01 -0.01 0.33 -0.75 4.76 4.31 3dw9A1 ASN 30 HB2 -0.01 0.19 0.04 -0.04 2.88 3.06 3dw9A1 ASN 30 HB3 -0.01 -0.04 0.18 -0.04 2.79 2.88 3dw9A1 ASN 30 HD21 -0.01 0.01 -0.01 -0.04 7.03 6.97 3dw9A1 ASN 30 HD22 -0.01 -0.00 0.03 -0.04 7.74 7.72 3dw9A1 ARG 31 H -0.02 0.57 -0.32 -0.55 8.46 8.14 3dw9A1 ARG 31 HA -0.02 0.10 0.69 -0.75 4.34 4.36 3dw9A1 ARG 31 HB2 -0.02 0.08 0.06 -0.04 1.90 1.97 3dw9A1 ARG 31 HB3 -0.02 -0.18 0.10 -0.04 1.80 1.66 3dw9A1 ARG 31 HG2 -0.01 0.06 -0.06 -0.04 1.67 1.62 3dw9A1 ARG 31 HG3 -0.01 0.19 -0.29 -0.04 1.67 1.52 3dw9A1 ARG 31 HD2 -0.01 -0.03 -0.00 -0.04 3.22 3.14 3dw9A1 ARG 31 HD3 -0.01 -0.09 0.01 -0.04 3.22 3.09 3dw9A1 SER 32 H -0.02 0.13 0.08 -0.55 8.46 8.10 3dw9A1 SER 32 HA -0.03 0.20 0.55 -0.75 4.49 4.45 3dw9A1 SER 32 HB2 -0.03 0.04 0.13 -0.04 3.95 4.05 3dw9A1 SER 32 HB3 -0.02 0.01 0.08 -0.04 3.93 3.96 3dw9A1 THR 33 H -0.03 0.03 -0.48 -0.55 8.28 7.25 3dw9A1 THR 33 HA -0.03 -0.08 0.25 -0.75 4.39 3.77 3dw9A1 THR 33 HB -0.04 0.04 0.02 -0.04 4.32 4.30 3dw9A1 THR 33 HG23 -0.02 -0.04 -0.11 -0.04 1.22 1.01 3dw9A1 GLN 34 H -0.05 0.02 0.29 -0.55 8.47 8.19 3dw9A1 GLN 34 HA -0.25 0.22 0.73 -0.75 4.36 4.30 3dw9A1 GLN 34 HB2 -0.01 0.02 0.20 -0.04 2.15 2.31 3dw9A1 GLN 34 HB3 -0.50 -0.04 0.04 -0.04 2.02 1.48 3dw9A1 GLN 34 HG2 -0.16 -0.03 0.05 -0.04 2.40 2.22 3dw9A1 GLN 34 HG3 -0.10 0.20 -0.10 -0.04 2.39 2.35 3dw9A1 GLN 34 HE21 -0.01 -0.05 0.03 -0.04 6.97 6.89 3dw9A1 GLN 34 HE22 -0.04 0.07 0.04 -0.04 7.69 7.72 3dw9A1 PHE 35 H 0.03 0.13 0.24 -0.55 8.34 8.18 3dw9A1 PHE 35 HA -0.08 0.22 0.87 -0.75 4.62 4.88 3dw9A1 PHE 35 HB2 -0.12 0.04 0.05 -0.04 3.15 3.08 3dw9A1 PHE 35 HB3 0.06 -0.01 -0.11 -0.04 3.06 2.97 3dw9A1 PHE 35 HD2 -0.24 0.05 -0.05 -0.04 7.28 7.00 3dw9A1 PHE 35 HE2 -1.12 0.12 -0.02 -0.04 7.38 6.32 3dw9A1 PHE 35 HZ -0.31 0.05 -0.13 -0.04 7.32 6.88 3dw9A1 GLN 36 H 0.11 0.46 0.21 -0.55 8.47 8.69 3dw9A1 GLN 36 HA 0.05 0.08 0.84 -0.75 4.36 4.58 3dw9A1 GLN 36 HB2 0.01 0.08 -0.04 -0.04 2.15 2.15 3dw9A1 GLN 36 HB3 0.03 -0.02 0.07 -0.04 2.02 2.06 3dw9A1 GLN 36 HG2 0.02 -0.00 -0.18 -0.04 2.40 2.20 3dw9A1 GLN 36 HG3 0.02 -0.04 0.02 -0.04 2.39 2.35 3dw9A1 GLN 36 HE21 -0.00 0.03 -0.02 -0.04 6.97 6.94 3dw9A1 GLN 36 HE22 0.01 -0.03 -0.01 -0.04 7.69 7.61 3dw9A1 LEU 37 H 0.06 0.13 0.14 -0.55 8.37 8.15 3dw9A1 LEU 37 HA 0.09 0.22 0.74 -0.75 4.35 4.65 3dw9A1 LEU 37 HB2 0.05 -0.04 0.20 -0.04 1.64 1.81 3dw9A1 LEU 37 HB3 0.06 0.02 -0.02 -0.04 1.64 1.65 3dw9A1 LEU 37 HG 0.06 -0.04 0.02 -0.04 1.64 1.63 3dw9A1 LEU 37 HD13 0.04 0.03 -0.23 -0.04 0.93 0.73 3dw9A1 LEU 37 HD23 0.13 0.02 -0.12 -0.04 0.89 0.87 3dw9A1 ALA 38 H 0.05 0.87 0.19 -0.55 8.40 8.97 3dw9A1 ALA 38 HA 0.03 0.05 0.46 -0.75 4.34 4.12 3dw9A1 ALA 38 HB3 0.02 0.01 0.06 -0.04 1.41 1.46 3dw9A1 GLN 39 H 0.03 0.36 0.20 -0.55 8.47 8.52 3dw9A1 GLN 39 HA 0.05 0.03 0.09 -0.75 4.36 3.78 3dw9A1 GLN 39 HB2 0.05 0.02 0.03 -0.04 2.15 2.21 3dw9A1 GLN 39 HB3 0.04 0.04 0.10 -0.04 2.02 2.16 3dw9A1 GLN 39 HG2 0.03 -0.02 0.12 -0.04 2.40 2.48 3dw9A1 GLN 39 HG3 0.03 0.03 -0.11 -0.04 2.39 2.29 3dw9A1 GLN 39 HE21 0.02 0.03 0.00 -0.04 6.97 6.98 3dw9A1 GLN 39 HE22 0.02 0.01 -0.04 -0.04 7.69 7.64 3dw9A1 GLN 40 H 0.03 0.12 -0.14 -0.55 8.47 7.94 3dw9A1 GLN 40 HA 0.04 0.10 0.47 -0.75 4.36 4.21 3dw9A1 GLN 40 HB2 0.02 0.00 0.04 -0.04 2.15 2.17 3dw9A1 GLN 40 HB3 0.02 0.04 -0.02 -0.04 2.02 2.02 3dw9A1 GLN 40 HG2 0.01 0.04 -0.00 -0.04 2.40 2.41 3dw9A1 GLN 40 HG3 0.02 -0.07 0.03 -0.04 2.39 2.32 3dw9A1 GLN 40 HE21 0.01 0.05 -0.03 -0.04 6.97 6.96 3dw9A1 GLN 40 HE22 0.01 -0.00 -0.03 -0.04 7.69 7.63 3dw9A1 ASN 41 H 0.03 0.10 -0.23 -0.55 8.53 7.89 3dw9A1 ASN 41 HA 0.04 0.03 0.49 -0.75 4.76 4.57 3dw9A1 ASN 41 HB2 0.02 0.05 0.04 -0.04 2.88 2.95 3dw9A1 ASN 41 HB3 0.02 0.13 -0.30 -0.04 2.79 2.59 3dw9A1 ASN 41 HD21 0.01 0.55 0.19 -0.04 7.03 7.74 3dw9A1 ASN 41 HD22 0.01 0.19 -0.20 -0.04 7.74 7.70 3dw9A1 MET 42 H 0.04 0.66 -0.10 -0.55 8.47 8.53 3dw9A1 MET 42 HA 0.05 -0.01 0.41 -0.75 4.52 4.22 3dw9A1 MET 42 HB2 0.06 0.10 0.07 -0.04 2.15 2.34 3dw9A1 MET 42 HB3 0.06 -0.07 -0.07 -0.04 2.03 1.91 3dw9A1 MET 42 HG2 0.01 -0.02 -0.02 -0.04 2.63 2.56 3dw9A1 MET 42 HG3 0.02 0.10 -0.02 -0.04 2.56 2.62 3dw9A1 MET 42 HE3 0.05 0.04 -0.31 -0.04 2.10 1.84 3dw9A1 LEU 43 H 0.09 0.58 -0.12 -0.55 8.37 8.38 3dw9A1 LEU 43 HA 0.27 -0.01 0.46 -0.75 4.35 4.31 3dw9A1 LEU 43 HB2 0.09 0.09 0.18 -0.04 1.64 1.95 3dw9A1 LEU 43 HB3 0.13 0.03 0.01 -0.04 1.64 1.77 3dw9A1 LEU 43 HG 0.12 0.02 0.02 -0.04 1.64 1.76 3dw9A1 LEU 43 HD13 0.04 -0.02 -0.05 -0.04 0.93 0.86 3dw9A1 LEU 43 HD23 0.25 -0.02 0.02 -0.04 0.89 1.10 3dw9A1 ALA 44 H 0.09 0.39 -0.33 -0.55 8.40 8.01 3dw9A1 ALA 44 HA 0.07 0.18 0.35 -0.75 4.34 4.19 3dw9A1 ALA 44 HB3 0.06 0.02 0.19 -0.04 1.41 1.64 3dw9A1 TYR 45 H 0.19 0.57 -0.02 -0.55 8.29 8.48 3dw9A1 TYR 45 HA -0.01 0.02 0.38 -0.75 4.56 4.19 3dw9A1 TYR 45 HB2 -0.01 0.05 0.10 -0.04 3.06 3.15 3dw9A1 TYR 45 HB3 -0.01 -0.03 0.15 -0.04 2.98 3.04 3dw9A1 TYR 45 HD2 -0.05 0.02 -0.17 -0.04 7.15 6.91 3dw9A1 TYR 45 HE2 -0.13 -0.04 -0.24 -0.04 6.85 6.40 3dw9A1 THR 46 H 0.15 0.50 -0.06 -0.55 8.28 8.31 3dw9A1 THR 46 HA -0.08 0.27 0.09 -0.75 4.39 3.92 3dw9A1 THR 46 HB -0.24 0.13 0.10 -0.04 4.32 4.27 3dw9A1 THR 46 HG23 -0.98 -0.02 -0.13 -0.04 1.22 0.05 3dw9A1 PHE 47 H 0.11 0.62 -0.22 -0.55 8.34 8.30 3dw9A1 PHE 47 HA 0.08 0.12 1.00 -0.75 4.62 5.07 3dw9A1 PHE 47 HB2 0.07 0.16 0.12 -0.04 3.15 3.46 3dw9A1 PHE 47 HB3 0.05 0.11 0.25 -0.04 3.06 3.43 3dw9A1 PHE 47 HD2 0.08 0.00 0.01 -0.04 7.28 7.33 3dw9A1 PHE 47 HE2 0.09 -0.06 -0.05 -0.04 7.38 7.33 3dw9A1 PHE 47 HZ 0.30 0.15 -0.11 -0.04 7.32 7.62 3dw9A1 GLY 48 H 0.06 0.31 -0.34 -0.55 8.43 7.92 3dw9A1 GLY 48 HA2 0.05 -0.13 0.19 -0.51 4.01 3.61 3dw9A1 GLY 48 HA3 0.02 0.15 0.36 -0.51 4.01 4.03 3dw9A1 GLU 49 H 0.05 0.07 -0.39 -0.55 8.60 7.78 3dw9A1 GLU 49 HA 0.03 0.21 0.67 -0.75 4.29 4.44 3dw9A1 GLU 49 HB2 0.01 -0.05 0.02 -0.04 2.09 2.02 3dw9A1 GLU 49 HB3 0.02 -0.01 0.13 -0.04 1.99 2.08 3dw9A1 GLU 49 HG2 -0.00 0.03 -0.00 -0.04 2.34 2.32 3dw9A1 GLU 49 HG3 -0.01 -0.01 -0.21 -0.04 2.34 2.07 3dw9A1 VAL 50 H 0.14 0.35 -0.24 -0.55 8.24 7.93 3dw9A1 VAL 50 HA 0.08 0.23 1.02 -0.75 4.13 4.70 3dw9A1 VAL 50 HB 0.32 0.05 0.10 -0.04 2.12 2.55 3dw9A1 VAL 50 HG13 0.01 -0.03 -0.35 -0.04 0.97 0.55 3dw9A1 VAL 50 HG23 0.04 -0.04 -0.17 -0.04 0.95 0.75 3dw9A1 ILE 51 H 0.09 0.33 -0.08 -0.55 8.25 8.04 3dw9A1 ILE 51 HA -0.03 0.20 0.78 -0.75 4.18 4.39 3dw9A1 ILE 51 HB 0.12 0.06 0.00 -0.04 1.89 2.03 3dw9A1 ILE 51 HG12 0.03 -0.01 -0.75 -0.04 1.49 0.72 3dw9A1 ILE 51 HG13 -0.02 0.10 -0.29 -0.04 1.21 0.96 3dw9A1 ILE 51 HG23 0.09 0.02 -0.24 -0.04 0.93 0.76 3dw9A1 ILE 51 HD13 -0.04 0.04 -0.29 -0.04 0.88 0.55 3dw9A1 PRO 52 HA -0.01 -0.08 0.36 -0.51 4.44 4.20 3dw9A1 PRO 52 HB2 -0.03 0.03 -0.07 -0.04 2.28 2.17 3dw9A1 PRO 52 HB3 0.00 0.03 -0.02 -0.04 2.02 2.00 3dw9A1 PRO 52 HG2 -0.19 0.04 -0.02 -0.04 2.03 1.82 3dw9A1 PRO 52 HG3 -0.04 0.05 -0.03 -0.04 2.03 1.96 3dw9A1 PRO 52 HD2 -0.24 0.15 0.12 -0.04 3.68 3.67 3dw9A1 PRO 52 HD3 -0.12 0.26 -0.23 -0.04 3.65 3.51 3dw9A1 GLY 53 H -0.02 0.04 0.07 -0.55 8.43 7.97 3dw9A1 GLY 53 HA2 -0.04 -0.06 0.27 -0.51 4.01 3.67 3dw9A1 GLY 53 HA3 -0.10 0.24 0.61 -0.51 4.01 4.25 3dw9A1 PHE 54 H 0.13 0.40 -0.20 -0.55 8.34 8.12 3dw9A1 PHE 54 HA 0.11 0.20 0.86 -0.75 4.62 5.04 3dw9A1 PHE 54 HB2 0.04 0.04 -0.02 -0.04 3.15 3.17 3dw9A1 PHE 54 HB3 0.05 0.02 0.18 -0.04 3.06 3.27 3dw9A1 PHE 54 HD2 0.04 0.05 -0.18 -0.04 7.28 7.15 3dw9A1 PHE 54 HE2 -0.01 0.05 -0.09 -0.04 7.38 7.29 3dw9A1 PHE 54 HZ -0.04 -0.01 -0.21 -0.04 7.32 7.02 3dw9A1 ALA 55 H 0.03 -0.11 -0.07 -0.55 8.40 7.70 3dw9A1 ALA 55 HA 0.06 0.28 0.76 -0.75 4.34 4.69 3dw9A1 ALA 55 HB3 0.02 -0.05 -0.01 -0.04 1.41 1.33 3dw9A1 SER 56 H 0.00 0.13 0.13 -0.55 8.46 8.18 3dw9A1 SER 56 HA 0.01 0.17 0.50 -0.75 4.49 4.41 3dw9A1 SER 56 HB2 0.01 0.00 0.14 -0.04 3.95 4.07 3dw9A1 SER 56 HB3 0.01 0.14 0.16 -0.04 3.93 4.20 3dw9A1 ALA 57 H -0.00 0.23 0.19 -0.55 8.40 8.27 3dw9A1 ALA 57 HA -0.02 0.12 0.41 -0.75 4.34 4.09 3dw9A1 ALA 57 HB3 -0.01 0.04 0.10 -0.04 1.41 1.51 3dw9A1 GLY 58 H 0.01 0.07 -0.19 -0.55 8.43 7.77 3dw9A1 GLY 58 HA2 0.03 0.12 0.33 -0.51 4.01 3.98 3dw9A1 GLY 58 HA3 0.04 0.06 0.23 -0.51 4.01 3.82 3dw9A1 ILE 59 H -0.01 0.23 -0.38 -0.55 8.25 7.54 3dw9A1 ILE 59 HA -0.01 0.16 0.52 -0.75 4.18 4.09 3dw9A1 ILE 59 HB -0.09 0.01 0.08 -0.04 1.89 1.86 3dw9A1 ILE 59 HG12 -0.47 0.08 -0.05 -0.04 1.49 1.00 3dw9A1 ILE 59 HG13 -0.06 -0.11 -0.11 -0.04 1.21 0.89 3dw9A1 ILE 59 HG23 -0.23 -0.00 -0.12 -0.04 0.93 0.54 3dw9A1 ILE 59 HD13 -0.23 -0.00 -0.00 -0.04 0.88 0.61 3dw9A1 ASN 60 H -0.02 0.65 0.02 -0.55 8.53 8.63 3dw9A1 ASN 60 HA -0.03 -0.15 0.35 -0.75 4.76 4.18 3dw9A1 ASN 60 HB2 -0.04 0.12 -0.01 -0.04 2.88 2.91 3dw9A1 ASN 60 HB3 -0.02 -0.02 0.08 -0.04 2.79 2.79 3dw9A1 ASN 60 HD21 -0.02 0.81 -0.25 -0.04 7.03 7.53 3dw9A1 ASN 60 HD22 -0.05 -0.10 -0.23 -0.04 7.74 7.33 3dw9A1 GLY 61 H 0.00 0.39 -0.40 -0.55 8.43 7.88 3dw9A1 GLY 61 HA2 0.01 0.02 0.59 -0.51 4.01 4.13 3dw9A1 GLY 61 HA3 0.01 0.05 0.24 -0.51 4.01 3.80 3dw9A1 MET 62 H 0.04 0.12 -0.34 -0.55 8.47 7.74 3dw9A1 MET 62 HA 0.08 -0.02 0.49 -0.75 4.52 4.31 3dw9A1 MET 62 HB2 0.10 0.28 0.26 -0.04 2.15 2.75 3dw9A1 MET 62 HB3 0.11 0.11 0.13 -0.04 2.03 2.34 3dw9A1 MET 62 HG2 0.19 0.11 -0.18 -0.04 2.63 2.72 3dw9A1 MET 62 HG3 0.14 -0.10 0.07 -0.04 2.56 2.64 3dw9A1 MET 62 HE3 0.28 0.00 -0.10 -0.04 2.10 2.24 3dw9A1 ASP 63 H 0.09 0.07 0.19 -0.55 8.40 8.20 3dw9A1 ASP 63 HA 0.10 0.36 0.65 -0.75 4.63 4.99 3dw9A1 ASP 63 HB2 0.07 0.07 0.22 -0.04 2.71 3.03 3dw9A1 ASP 63 HB3 0.08 -0.11 0.19 -0.04 2.70 2.82 3dw9A1 TYR 64 H 0.20 0.72 0.27 -0.55 8.29 8.93 3dw9A1 TYR 64 HA 0.09 0.04 0.32 -0.75 4.56 4.25 3dw9A1 TYR 64 HB2 0.06 -0.04 -0.31 -0.04 3.06 2.73 3dw9A1 TYR 64 HB3 0.04 0.16 -0.06 -0.04 2.98 3.08 3dw9A1 TYR 64 HD2 0.12 0.05 -0.03 -0.04 7.15 7.24 3dw9A1 TYR 64 HE2 0.15 0.03 -0.08 -0.04 6.85 6.91 3dw9A1 ARG 65 H 0.09 0.18 -0.20 -0.55 8.46 7.98 3dw9A1 ARG 65 HA -0.09 0.06 0.35 -0.75 4.34 3.91 3dw9A1 ARG 65 HB2 0.02 -0.02 0.06 -0.04 1.90 1.91 3dw9A1 ARG 65 HB3 -0.02 0.01 -0.01 -0.04 1.80 1.74 3dw9A1 ARG 65 HG2 -0.10 -0.00 0.07 -0.04 1.67 1.60 3dw9A1 ARG 65 HG3 -0.02 -0.00 0.11 -0.04 1.67 1.71 3dw9A1 ARG 65 HD2 -0.03 -0.05 0.04 -0.04 3.22 3.14 3dw9A1 ARG 65 HD3 -0.04 0.31 0.13 -0.04 3.22 3.58 3dw9A1 ASP 66 H 0.11 0.27 -0.43 -0.55 8.40 7.81 3dw9A1 ASP 66 HA 0.07 0.07 0.40 -0.75 4.63 4.42 3dw9A1 ASP 66 HB2 0.14 0.19 0.07 -0.04 2.71 3.07 3dw9A1 ASP 66 HB3 0.12 0.00 -0.01 -0.04 2.70 2.77 3dw9A1 VAL 67 H 0.24 0.30 -0.30 -0.55 8.24 7.93 3dw9A1 VAL 67 HA 0.60 0.05 0.52 -0.75 4.13 4.55 3dw9A1 VAL 67 HB 0.47 0.12 0.21 -0.04 2.12 2.89 3dw9A1 VAL 67 HG13 0.37 -0.02 -0.09 -0.04 0.97 1.19 3dw9A1 VAL 67 HG23 0.26 0.04 -0.07 -0.04 0.95 1.14 3dw9A1 ILE 68 H 0.07 0.65 0.03 -0.55 8.25 8.45 3dw9A1 ILE 68 HA 0.17 0.02 0.24 -0.75 4.18 3.85 3dw9A1 ILE 68 HB -0.14 0.06 0.11 -0.04 1.89 1.87 3dw9A1 ILE 68 HG12 -0.73 0.11 0.03 -0.04 1.49 0.86 3dw9A1 ILE 68 HG13 -0.28 -0.02 -0.01 -0.04 1.21 0.86 3dw9A1 ILE 68 HG23 -0.03 -0.03 -0.04 -0.04 0.93 0.79 3dw9A1 ILE 68 HD13 -0.01 -0.01 -0.12 -0.04 0.88 0.70 3dw9A1 GLY 69 H 0.08 0.30 -0.51 -0.55 8.43 7.76 3dw9A1 GLY 69 HA2 0.04 -0.03 0.31 -0.51 4.01 3.83 3dw9A1 GLY 69 HA3 0.03 0.06 0.27 -0.51 4.01 3.85 3dw9A1 ARG 70 H 0.14 0.52 -0.40 -0.55 8.46 8.17 3dw9A1 ARG 70 HA -0.07 -0.05 0.34 -0.75 4.34 3.80 3dw9A1 ARG 70 HB2 -0.12 0.14 0.22 -0.04 1.90 2.11 3dw9A1 ARG 70 HB3 -0.07 0.09 0.16 -0.04 1.80 1.93 3dw9A1 ARG 70 HG2 -1.38 0.05 0.10 -0.04 1.67 0.39 3dw9A1 ARG 70 HG3 -0.36 -0.03 0.03 -0.04 1.67 1.27 3dw9A1 ARG 70 HD2 -0.25 -0.05 0.11 -0.04 3.22 2.99 3dw9A1 ARG 70 HD3 -0.17 -0.11 0.12 -0.04 3.22 3.02 3dw9A1 PRO 71 HA -0.01 0.08 0.39 -0.51 4.44 4.39 3dw9A1 PRO 71 HB2 0.10 -0.03 0.01 -0.04 2.28 2.32 3dw9A1 PRO 71 HB3 0.09 0.00 -0.07 -0.04 2.02 1.99 3dw9A1 PRO 71 HG2 0.36 0.06 0.01 -0.04 2.03 2.41 3dw9A1 PRO 71 HG3 -0.02 0.05 -0.01 -0.04 2.03 2.01 3dw9A1 PRO 71 HD2 0.17 0.35 -0.18 -0.04 3.68 3.98 3dw9A1 PRO 71 HD3 0.12 0.22 0.09 -0.04 3.65 4.04 3dw9A1 VAL 72 H 0.05 0.26 -0.19 -0.55 8.24 7.80 3dw9A1 VAL 72 HA 0.04 -0.01 0.47 -0.75 4.13 3.87 3dw9A1 VAL 72 HB 0.03 0.14 0.10 -0.04 2.12 2.35 3dw9A1 VAL 72 HG13 0.03 -0.01 -0.11 -0.04 0.97 0.84 3dw9A1 VAL 72 HG23 0.04 0.00 0.01 -0.04 0.95 0.96 3dw9A1 GLU 73 H -0.00 0.53 -0.13 -0.55 8.60 8.45 3dw9A1 GLU 73 HA -0.02 -0.01 0.42 -0.75 4.29 3.93 3dw9A1 GLU 73 HB2 -0.02 -0.02 0.08 -0.04 2.09 2.09 3dw9A1 GLU 73 HB3 -0.04 0.14 0.19 -0.04 1.99 2.23 3dw9A1 GLU 73 HG2 -0.06 0.01 -0.21 -0.04 2.34 2.04 3dw9A1 GLU 73 HG3 -0.06 -0.06 0.02 -0.04 2.34 2.20 3dw9A1 ASN 74 H -0.02 0.87 0.01 -0.55 8.53 8.84 3dw9A1 ASN 74 HA 0.04 -0.05 0.45 -0.75 4.76 4.45 3dw9A1 ASN 74 HB2 0.04 0.14 0.18 -0.04 2.88 3.19 3dw9A1 ASN 74 HB3 0.12 -0.07 0.01 -0.04 2.79 2.81 3dw9A1 ASN 74 HD21 -0.05 0.43 -0.02 -0.04 7.03 7.35 3dw9A1 ASN 74 HD22 0.11 -0.07 -0.07 -0.04 7.74 7.67 3dw9A1 ALA 75 H -0.01 0.66 -0.05 -0.55 8.40 8.46 3dw9A1 ALA 75 HA -0.05 -0.05 0.36 -0.75 4.34 3.85 3dw9A1 ALA 75 HB3 0.03 0.02 0.02 -0.04 1.41 1.43 3dw9A1 VAL 76 H -0.02 0.66 -0.21 -0.55 8.24 8.13 3dw9A1 VAL 76 HA -0.03 -0.03 0.41 -0.75 4.13 3.71 3dw9A1 VAL 76 HB -0.03 0.18 0.17 -0.04 2.12 2.40 3dw9A1 VAL 76 HG13 0.08 -0.02 -0.09 -0.04 0.97 0.90 3dw9A1 VAL 76 HG23 0.11 0.08 0.01 -0.04 0.95 1.10 3dw9A1 THR 77 H -0.19 0.56 -0.15 -0.55 8.28 7.95 3dw9A1 THR 77 HA -0.32 0.02 0.43 -0.75 4.39 3.76 3dw9A1 THR 77 HB -0.74 0.14 0.22 -0.04 4.32 3.90 3dw9A1 THR 77 HG23 -0.71 -0.03 -0.09 -0.04 1.22 0.35 3dw9A1 GLU 78 H -0.16 0.67 -0.01 -0.55 8.60 8.55 3dw9A1 GLU 78 HA 0.22 -0.01 0.33 -0.75 4.29 4.07 3dw9A1 GLU 78 HB2 0.14 0.03 0.10 -0.04 2.09 2.32 3dw9A1 GLU 78 HB3 -0.03 0.11 0.13 -0.04 1.99 2.16 3dw9A1 GLU 78 HG2 0.16 0.00 -0.19 -0.04 2.34 2.27 3dw9A1 GLU 78 HG3 0.34 0.02 0.04 -0.04 2.34 2.70 3dw9A1 GLY 79 H -0.41 0.55 -0.32 -0.55 8.43 7.71 3dw9A1 GLY 79 HA2 -0.13 -0.03 0.26 -0.51 4.01 3.60 3dw9A1 GLY 79 HA3 -1.65 0.03 0.23 -0.51 4.01 2.11 3dw9A1 THR 80 H -0.44 0.46 -0.31 -0.55 8.28 7.44 3dw9A1 THR 80 HA -0.12 0.09 0.55 -0.75 4.39 4.16 3dw9A1 THR 80 HB -0.30 0.03 0.16 -0.04 4.32 4.17 3dw9A1 THR 80 HG23 -0.11 -0.01 -0.03 -0.04 1.22 1.03 3dw9A1 HIS 81 H -0.24 0.66 0.06 -0.55 8.41 8.35 3dw9A1 HIS 81 HA -0.19 -0.01 0.50 -0.75 4.63 4.18 3dw9A1 HIS 81 HB2 -0.18 0.10 0.19 -0.04 3.26 3.34 3dw9A1 HIS 81 HB3 -0.46 -0.01 -0.01 -0.04 3.20 2.68 3dw9A1 HIS 81 HD2 -0.15 0.02 0.04 -0.04 6.97 6.82 3dw9A1 HIS 81 HE1 -0.13 -0.06 -0.06 -0.04 7.75 7.46 3dw9A1 PHE 82 H 0.04 0.51 -0.14 -0.55 8.34 8.21 3dw9A1 PHE 82 HA -0.29 0.05 0.28 -0.75 4.62 3.90 3dw9A1 PHE 82 HB2 -0.50 0.05 0.09 -0.04 3.15 2.75 3dw9A1 PHE 82 HB3 -1.24 -0.04 -0.01 -0.04 3.06 1.73 3dw9A1 PHE 82 HD2 -0.17 0.12 0.05 -0.04 7.28 7.24 3dw9A1 PHE 82 HE2 -0.06 -0.03 -0.01 -0.04 7.38 7.24 3dw9A1 PHE 82 HZ -0.06 0.06 -0.04 -0.04 7.32 7.24 3dw9A1 PHE 83 H 0.01 0.48 -0.09 -0.55 8.34 8.19 3dw9A1 PHE 83 HA 0.11 0.20 0.97 -0.75 4.62 5.15 3dw9A1 PHE 83 HB2 -0.05 0.15 0.03 -0.04 3.15 3.23 3dw9A1 PHE 83 HB3 0.12 -0.11 -0.03 -0.04 3.06 2.99 3dw9A1 PHE 83 HD2 0.09 0.06 -0.00 -0.04 7.28 7.39 3dw9A1 PHE 83 HE2 0.13 -0.02 -0.07 -0.04 7.38 7.38 3dw9A1 PHE 83 HZ 0.10 -0.02 -0.03 -0.04 7.32 7.33 3dw9A1 ARG 84 H 0.01 0.52 0.04 -0.55 8.46 8.48 3dw9A1 ARG 84 HA -0.01 0.14 0.41 -0.75 4.34 4.12 3dw9A1 ARG 84 HB2 0.06 0.08 -0.15 -0.04 1.90 1.84 3dw9A1 ARG 84 HB3 0.02 -0.12 0.22 -0.04 1.80 1.87 3dw9A1 ARG 84 HG2 -0.02 0.16 -0.13 -0.04 1.67 1.64 3dw9A1 ARG 84 HG3 -0.00 -0.04 -0.04 -0.04 1.67 1.55 3dw9A1 ARG 84 HD2 -0.03 -0.08 0.03 -0.04 3.22 3.11 3dw9A1 ARG 84 HD3 -0.04 -0.02 0.08 -0.04 3.22 3.20 3dw9A1 ASP 85 H 0.05 0.13 0.22 -0.55 8.40 8.24 3dw9A1 ASP 85 HA 0.05 0.12 0.40 -0.75 4.63 4.44 3dw9A1 ASP 85 HB2 0.04 0.02 0.06 -0.04 2.71 2.78 3dw9A1 ASP 85 HB3 0.02 0.01 0.16 -0.04 2.70 2.85 3dw9A1 ASP 86 H 0.13 0.55 -0.28 -0.55 8.40 8.26 3dw9A1 ASP 86 HA 0.10 0.09 0.76 -0.75 4.63 4.82 3dw9A1 ASP 86 HB2 0.28 0.30 0.12 -0.04 2.71 3.36 3dw9A1 ASP 86 HB3 0.28 -0.10 0.02 -0.04 2.70 2.86 3dw9A1 PHE 87 H 0.15 0.42 -0.39 -0.55 8.34 7.97 3dw9A1 PHE 87 HA -0.91 -0.05 0.37 -0.75 4.62 3.27 3dw9A1 PHE 87 HB2 -0.14 0.11 -0.12 -0.04 3.15 2.97 3dw9A1 PHE 87 HB3 -0.13 0.10 -0.01 -0.04 3.06 2.98 3dw9A1 PHE 87 HD2 -0.57 0.03 -0.12 -0.04 7.28 6.58 3dw9A1 PHE 87 HE2 -0.12 -0.04 -0.12 -0.04 7.38 7.06 3dw9A1 PHE 87 HZ -0.06 -0.04 -0.19 -0.04 7.32 6.99 3dw9A1 ARG 88 H -0.56 0.21 0.11 -0.55 8.46 7.66 3dw9A1 ARG 88 HA -0.31 0.15 0.65 -0.75 4.34 4.07 3dw9A1 ARG 88 HB2 0.01 -0.03 0.16 -0.04 1.90 2.00 3dw9A1 ARG 88 HB3 -0.08 -0.08 -0.03 -0.04 1.80 1.57 3dw9A1 ARG 88 HG2 -0.05 0.00 -0.06 -0.04 1.67 1.52 3dw9A1 ARG 88 HG3 -0.02 0.16 -0.39 -0.04 1.67 1.39 3dw9A1 VAL 89 H -0.49 0.23 0.03 -0.55 8.24 7.46 3dw9A1 VAL 89 HA -0.14 0.19 0.68 -0.75 4.13 4.11 3dw9A1 VAL 89 HB -0.07 -0.04 0.08 -0.04 2.12 2.05 3dw9A1 VAL 89 HG13 -0.24 0.03 -0.14 -0.04 0.97 0.58 3dw9A1 VAL 89 HG23 -0.14 0.00 -0.11 -0.04 0.95 0.65 3dw9A1 ASP 90 H -0.05 0.13 0.13 -0.55 8.40 8.06 3dw9A1 ASP 90 HA -0.05 0.17 0.58 -0.75 4.63 4.58 3dw9A1 ASP 90 HB2 -0.03 0.13 0.12 -0.04 2.71 2.88 3dw9A1 ASP 90 HB3 -0.02 -0.09 0.13 -0.04 2.70 2.68 3dw9A1 SER 91 H -0.03 0.25 0.20 -0.55 8.46 8.33 3dw9A1 SER 91 HA -0.02 0.10 0.58 -0.75 4.49 4.40 3dw9A1 SER 91 HB2 -0.01 0.06 0.11 -0.04 3.95 4.06 3dw9A1 SER 91 HB3 -0.02 0.08 0.18 -0.04 3.93 4.13 3dw9A1 ASN 92 H -0.01 0.12 -0.21 -0.55 8.53 7.87 3dw9A1 ASN 92 HA 0.00 0.11 0.48 -0.75 4.76 4.59 3dw9A1 ASN 92 HB2 -0.00 -0.02 0.04 -0.04 2.88 2.85 3dw9A1 ASN 92 HB3 0.00 0.07 0.01 -0.04 2.79 2.83 3dw9A1 ASN 92 HD21 -0.00 0.05 0.01 -0.04 7.03 7.05 3dw9A1 ASN 92 HD22 -0.00 0.03 0.01 -0.04 7.74 7.74 3dw9A1 ALA 93 H -0.01 0.22 -0.31 -0.55 8.40 7.75 3dw9A1 ALA 93 HA 0.01 0.10 0.61 -0.75 4.34 4.31 3dw9A1 ALA 93 HB3 0.00 0.06 0.16 -0.04 1.41 1.59 3dw9A1 LYS 94 H 0.00 0.33 -0.07 -0.55 8.42 8.13 3dw9A1 LYS 94 HA 0.03 0.02 0.37 -0.75 4.32 3.98 3dw9A1 LYS 94 HB2 0.00 0.12 0.14 -0.04 1.87 2.09 3dw9A1 LYS 94 HB3 0.01 0.00 0.02 -0.04 1.79 1.78 3dw9A1 LYS 94 HG2 0.03 0.00 -0.02 -0.04 1.46 1.43 3dw9A1 LYS 94 HG3 0.00 -0.01 -0.03 -0.04 1.46 1.38 3dw9A1 LYS 94 HD2 -0.02 0.01 -0.13 -0.04 1.69 1.51 3dw9A1 LYS 94 HD3 -0.00 0.00 -0.00 -0.04 1.68 1.64 3dw9A1 LYS 94 HE2 0.02 -0.00 -0.05 -0.04 2.99 2.92 3dw9A1 LYS 94 HE3 0.01 0.01 -0.07 -0.04 2.99 2.90 3dw9A1 ALA 95 H 0.01 0.56 -0.15 -0.55 8.40 8.27 3dw9A1 ALA 95 HA 0.01 0.03 0.49 -0.75 4.34 4.12 3dw9A1 ALA 95 HB3 0.01 0.02 0.07 -0.04 1.41 1.47 3dw9A1 LYS 96 H 0.02 0.43 -0.26 -0.55 8.42 8.05 3dw9A1 LYS 96 HA 0.03 0.03 0.38 -0.75 4.32 4.01 3dw9A1 LYS 96 HB2 0.02 -0.00 0.14 -0.04 1.87 1.99 3dw9A1 LYS 96 HB3 0.02 0.12 0.29 -0.04 1.79 2.19 3dw9A1 LYS 96 HG2 0.02 -0.01 0.04 -0.04 1.46 1.47 3dw9A1 LYS 96 HG3 0.03 -0.00 -0.28 -0.04 1.46 1.16 3dw9A1 LYS 96 HD2 0.03 -0.06 -0.01 -0.04 1.69 1.61 3dw9A1 LYS 96 HD3 0.03 0.02 0.04 -0.04 1.68 1.72 3dw9A1 LYS 96 HE2 0.02 0.03 0.01 -0.04 2.99 3.01 3dw9A1 LYS 96 HE3 0.02 0.01 0.00 -0.04 2.99 2.98 3dw9A1 VAL 97 H 0.03 0.55 -0.03 -0.55 8.24 8.24 3dw9A1 VAL 97 HA 0.04 0.04 0.47 -0.75 4.13 3.92 3dw9A1 VAL 97 HB 0.04 0.06 0.15 -0.04 2.12 2.33 3dw9A1 VAL 97 HG13 0.05 -0.02 -0.09 -0.04 0.97 0.87 3dw9A1 VAL 97 HG23 0.04 0.01 0.09 -0.04 0.95 1.05 3dw9A1 ALA 98 H 0.04 0.53 -0.15 -0.55 8.40 8.27 3dw9A1 ALA 98 HA 0.05 0.04 0.28 -0.75 4.34 3.95 3dw9A1 ALA 98 HB3 0.02 0.03 0.08 -0.04 1.41 1.49 3dw9A1 GLY 99 H 0.05 0.49 -0.28 -0.55 8.43 8.14 3dw9A1 GLY 99 HA2 0.13 -0.07 0.53 -0.51 4.01 4.09 3dw9A1 GLY 99 HA3 0.08 0.11 0.34 -0.51 4.01 4.03 3dw9A1 ASP 100 H 0.05 0.45 -0.14 -0.55 8.40 8.21 3dw9A1 ASP 100 HA 0.02 0.04 0.38 -0.75 4.63 4.32 3dw9A1 ASP 100 HB2 0.03 0.09 0.24 -0.04 2.71 3.02 3dw9A1 ASP 100 HB3 0.02 -0.05 0.03 -0.04 2.70 2.66 3dw9A1 ILE 101 H 0.06 0.74 0.03 -0.55 8.25 8.53 3dw9A1 ILE 101 HA 0.04 -0.01 0.38 -0.75 4.18 3.84 3dw9A1 ILE 101 HB 0.10 0.12 0.12 -0.04 1.89 2.19 3dw9A1 ILE 101 HG12 0.08 0.19 -0.09 -0.04 1.49 1.63 3dw9A1 ILE 101 HG13 0.13 -0.03 -0.03 -0.04 1.21 1.23 3dw9A1 ILE 101 HG23 0.19 -0.00 -0.06 -0.04 0.93 1.02 3dw9A1 ILE 101 HD13 0.11 -0.04 -0.04 -0.04 0.88 0.87 3dw9A1 PHE 102 H 0.14 0.55 -0.24 -0.55 8.34 8.24 3dw9A1 PHE 102 HA -0.18 -0.03 0.35 -0.75 4.62 4.01 3dw9A1 PHE 102 HB2 -0.09 0.04 0.14 -0.04 3.15 3.20 3dw9A1 PHE 102 HB3 -0.05 0.14 0.16 -0.04 3.06 3.27 3dw9A1 PHE 102 HD2 -0.13 -0.04 -0.07 -0.04 7.28 7.00 3dw9A1 PHE 102 HE2 0.09 0.03 -0.20 -0.04 7.38 7.26 3dw9A1 PHE 102 HZ 0.24 0.04 -0.37 -0.04 7.32 7.19 3dw9A1 GLU 103 H -0.15 0.44 -0.25 -0.55 8.60 8.10 3dw9A1 GLU 103 HA -1.54 -0.01 0.44 -0.75 4.29 2.43 3dw9A1 GLU 103 HB2 -0.10 0.01 0.11 -0.04 2.09 2.06 3dw9A1 GLU 103 HB3 -0.13 0.13 0.16 -0.04 1.99 2.11 3dw9A1 GLU 103 HG2 -0.15 0.03 -0.25 -0.04 2.34 1.92 3dw9A1 GLU 103 HG3 -0.02 -0.09 -0.01 -0.04 2.34 2.18 3dw9A1 ILE 104 H -0.18 0.54 -0.04 -0.55 8.25 8.02 3dw9A1 ILE 104 HA -0.16 0.07 0.36 -0.75 4.18 3.69 3dw9A1 ILE 104 HB -0.06 0.03 0.19 -0.04 1.89 2.01 3dw9A1 ILE 104 HG12 -0.07 0.00 0.01 -0.04 1.49 1.39 3dw9A1 ILE 104 HG13 -0.08 0.10 0.11 -0.04 1.21 1.30 3dw9A1 ILE 104 HG23 -0.06 -0.01 -0.09 -0.04 0.93 0.72 3dw9A1 ILE 104 HD13 -0.02 -0.04 -0.08 -0.04 0.88 0.71 3dw9A1 VAL 105 H -0.14 0.63 0.03 -0.55 8.24 8.20 3dw9A1 VAL 105 HA -0.17 0.03 0.37 -0.75 4.13 3.60 3dw9A1 VAL 105 HB -0.09 0.12 0.10 -0.04 2.12 2.20 3dw9A1 VAL 105 HG13 -0.19 -0.01 -0.11 -0.04 0.97 0.61 3dw9A1 VAL 105 HG23 -0.29 -0.00 0.03 -0.04 0.95 0.65 3dw9A1 SER 106 H -0.28 0.48 -0.20 -0.55 8.46 7.90 3dw9A1 SER 106 HA 0.05 -0.03 0.37 -0.75 4.49 4.13 3dw9A1 SER 106 HB2 -1.05 0.19 0.17 -0.04 3.95 3.22 3dw9A1 SER 106 HB3 -0.22 -0.05 -0.10 -0.04 3.93 3.53 3dw9A1 SER 107 H -0.38 0.68 -0.22 -0.55 8.46 8.00 3dw9A1 SER 107 HA -0.03 -0.02 0.47 -0.75 4.49 4.16 3dw9A1 SER 107 HB2 -0.12 0.13 0.10 -0.04 3.95 4.02 3dw9A1 SER 107 HB3 -0.00 -0.07 -0.07 -0.04 3.93 3.75 3dw9A1 ALA 108 H -0.09 0.56 -0.16 -0.55 8.40 8.16 3dw9A1 ALA 108 HA -0.00 0.02 0.53 -0.75 4.34 4.13 3dw9A1 ALA 108 HB3 -0.09 0.02 0.09 -0.04 1.41 1.39 3dw9A1 VAL 109 H 0.01 0.60 -0.08 -0.55 8.24 8.22 3dw9A1 VAL 109 HA 0.17 0.03 0.36 -0.75 4.13 3.94 3dw9A1 VAL 109 HB 0.06 0.10 0.12 -0.04 2.12 2.36 3dw9A1 VAL 109 HG13 0.13 -0.03 -0.11 -0.04 0.97 0.92 3dw9A1 VAL 109 HG23 0.04 0.10 0.00 -0.04 0.95 1.05 3dw9A1 MET 110 H 0.04 0.50 -0.25 -0.55 8.47 8.21 3dw9A1 MET 110 HA 0.13 0.03 0.46 -0.75 4.52 4.40 3dw9A1 MET 110 HB2 -0.07 0.10 0.04 -0.04 2.15 2.18 3dw9A1 MET 110 HB3 -0.48 -0.04 -0.02 -0.04 2.03 1.44 3dw9A1 MET 110 HG2 -0.30 -0.05 -0.11 -0.04 2.63 2.13 3dw9A1 MET 110 HG3 -0.07 0.30 -0.02 -0.04 2.56 2.73 3dw9A1 MET 110 HE3 -1.32 -0.00 -0.14 -0.04 2.10 0.59 3dw9A1 TRP 111 H 0.25 0.33 -0.45 -0.55 7.97 7.56 3dw9A1 TRP 111 HA 0.08 0.03 0.52 -0.75 4.62 4.50 3dw9A1 TRP 111 HB2 -0.00 0.09 0.18 -0.04 3.23 3.45 3dw9A1 TRP 111 HB3 -0.05 0.11 0.28 -0.04 3.23 3.53 3dw9A1 TRP 111 HD1 -0.07 -0.12 -0.14 -0.04 7.22 6.85 3dw9A1 TRP 111 HE1 -0.05 0.18 0.01 -0.04 10.20 10.31 3dw9A1 TRP 111 HE3 0.09 0.07 0.12 -0.04 7.59 7.83 3dw9A1 TRP 111 HZ2 -0.18 0.03 -0.04 -0.04 7.44 7.20 3dw9A1 TRP 111 HZ3 0.25 0.11 0.12 -0.04 7.13 7.57 3dw9A1 TRP 111 HH2 -0.08 -0.03 -0.01 -0.04 7.19 7.03 3dw9A1 ASN 112 H 0.14 0.52 0.08 -0.55 8.53 8.73 3dw9A1 ASN 112 HA -0.14 -0.02 0.52 -0.75 4.76 4.37 3dw9A1 ASN 112 HB2 -0.90 0.10 0.11 -0.04 2.88 2.14 3dw9A1 ASN 112 HB3 -1.70 0.00 0.03 -0.04 2.79 1.08 3dw9A1 ASN 112 HD21 -0.11 0.39 0.06 -0.04 7.03 7.33 3dw9A1 ASN 112 HD22 -0.44 -0.04 -0.01 -0.04 7.74 7.21 3dw9A1 CYS 113 H 0.04 0.44 -0.43 -0.55 8.50 8.00 3dw9A1 CYS 113 HA 0.36 -0.01 0.36 -0.75 4.58 4.54 3dw9A1 CYS 113 HB2 0.28 0.12 0.09 -0.04 2.97 3.42 3dw9A1 CYS 113 HB3 -0.45 -0.06 -0.04 -0.04 2.97 2.38 3dw9A1 ALA 114 H 0.09 0.43 -0.28 -0.55 8.40 8.10 3dw9A1 ALA 114 HA 0.03 -0.04 0.44 -0.75 4.34 4.02 3dw9A1 ALA 114 HB3 -0.08 0.04 0.11 -0.04 1.41 1.44 3dw9A1 ALA 115 H -0.12 0.42 -0.16 -0.55 8.40 8.00 3dw9A1 ALA 115 HA -0.04 0.25 0.36 -0.75 4.34 4.17 3dw9A1 ALA 115 HB3 -0.07 0.04 -0.34 -0.04 1.41 1.01 3dw9A1 ARG 116 H 0.02 0.56 0.01 -0.55 8.46 8.50 3dw9A1 ARG 116 HA -0.08 -0.04 0.37 -0.75 4.34 3.83 3dw9A1 ARG 116 HB2 -0.04 0.00 0.12 -0.04 1.90 1.94 3dw9A1 ARG 116 HB3 0.04 0.07 0.10 -0.04 1.80 1.97 3dw9A1 ARG 116 HG2 -1.63 0.04 -0.08 -0.04 1.67 -0.03 3dw9A1 ARG 116 HG3 -0.59 -0.16 0.09 -0.04 1.67 0.98 3dw9A1 ARG 116 HD2 -0.55 0.01 -0.08 -0.04 3.22 2.56 3dw9A1 ARG 116 HD3 -1.19 0.09 -0.12 -0.04 3.22 1.96 3dw9A1 TRP 117 H 0.42 0.65 -0.17 -0.55 7.97 8.32 3dw9A1 TRP 117 HA 0.36 -0.01 0.52 -0.75 4.62 4.74 3dw9A1 TRP 117 HB2 0.27 -0.09 0.11 -0.04 3.23 3.48 3dw9A1 TRP 117 HB3 0.09 0.13 0.19 -0.04 3.23 3.60 3dw9A1 TRP 117 HD1 -0.01 -0.03 -0.11 -0.04 7.22 7.03 3dw9A1 TRP 117 HE1 -0.04 0.54 0.16 -0.04 10.20 10.82 3dw9A1 TRP 117 HE3 0.08 -0.03 0.03 -0.04 7.59 7.62 3dw9A1 TRP 117 HZ2 -0.06 0.11 -0.09 -0.04 7.44 7.36 3dw9A1 TRP 117 HZ3 -0.09 -0.11 -0.03 -0.04 7.13 6.86 3dw9A1 TRP 117 HH2 -0.09 0.03 -0.29 -0.04 7.19 6.79 3dw9A1 ASN 118 H 0.27 0.71 -0.03 -0.55 8.53 8.93 3dw9A1 ASN 118 HA 0.06 -0.03 0.54 -0.75 4.76 4.58 3dw9A1 ASN 118 HB2 0.10 0.18 0.32 -0.04 2.88 3.45 3dw9A1 ASN 118 HB3 0.10 -0.10 -0.02 -0.04 2.79 2.72 3dw9A1 ASN 118 HD21 0.01 0.15 0.17 -0.04 7.03 7.32 3dw9A1 ASN 118 HD22 0.10 0.66 0.08 -0.04 7.74 8.54 3dw9A1 SER 119 H 0.05 0.80 0.12 -0.55 8.46 8.88 3dw9A1 SER 119 HA 0.01 -0.05 0.43 -0.75 4.49 4.12 3dw9A1 SER 119 HB2 0.01 0.15 0.15 -0.04 3.95 4.21 3dw9A1 SER 119 HB3 -0.00 0.12 0.15 -0.04 3.93 4.15 3dw9A1 LEU 120 H 0.04 0.46 -0.25 -0.55 8.37 8.08 3dw9A1 LEU 120 HA 0.02 0.17 0.34 -0.75 4.35 4.13 3dw9A1 LEU 120 HB2 0.38 -0.01 0.16 -0.04 1.64 2.13 3dw9A1 LEU 120 HB3 -0.09 0.18 0.14 -0.04 1.64 1.84 3dw9A1 LEU 120 HG -0.17 -0.02 -0.10 -0.04 1.64 1.32 3dw9A1 LEU 120 HD13 0.15 -0.01 -0.08 -0.04 0.93 0.95 3dw9A1 LEU 120 HD23 -0.33 0.00 0.00 -0.04 0.89 0.52 3dw9A1 MET 121 H -0.22 0.47 -0.19 -0.55 8.47 7.98 3dw9A1 MET 121 HA -0.32 -0.06 0.33 -0.75 4.52 3.73 3dw9A1 MET 121 HB2 -0.19 0.12 0.17 -0.04 2.15 2.21 3dw9A1 MET 121 HB3 -0.17 0.06 -0.08 -0.04 2.03 1.79 3dw9A1 MET 121 HG2 -1.35 0.24 0.01 -0.04 2.63 1.49 3dw9A1 MET 121 HG3 -0.40 0.07 -0.20 -0.04 2.56 1.99 3dw9A1 MET 121 HE3 -1.28 -0.00 -0.20 -0.04 2.10 0.58 3dw9A1 VAL 122 H -0.07 0.36 -0.63 -0.55 8.24 7.36 3dw9A1 VAL 122 HA -0.03 0.03 0.47 -0.75 4.13 3.85 3dw9A1 VAL 122 HB -0.01 0.30 0.04 -0.04 2.12 2.40 3dw9A1 VAL 122 HG13 0.01 -0.01 0.03 -0.04 0.97 0.96 3dw9A1 VAL 122 HG23 0.01 -0.02 0.06 -0.04 0.95 0.96 3dw9A1 GLY 123 H -0.07 0.36 -0.58 -0.55 8.43 7.60 3dw9A1 GLY 123 HA2 -0.04 0.07 0.29 -0.51 4.01 3.81 3dw9A1 GLY 123 HA3 -0.03 -0.05 0.30 -0.51 4.01 3.72 3dw9A1 GLU 124 H -0.01 0.29 -0.30 -0.55 8.60 8.03 3dw9A1 GLU 124 HA 0.00 0.04 0.73 -0.75 4.29 4.30 3dw9A1 GLU 124 HB2 0.01 0.13 0.02 -0.04 2.09 2.21 3dw9A1 GLU 124 HB3 0.01 -0.21 0.15 -0.04 1.99 1.89 3dw9A1 GLU 124 HG2 0.00 -0.05 -0.00 -0.04 2.34 2.25 3dw9A1 GLU 124 HG3 0.00 0.13 -0.06 -0.04 2.34 2.37 3dw9A1 GLY 125 H 0.02 -0.01 0.04 -0.55 8.43 7.93 3dw9A1 GLY 125 HA2 0.06 0.11 0.36 -0.51 4.01 4.03 3dw9A1 GLY 125 HA3 0.05 -0.05 0.23 -0.51 4.01 3.73 3dw9A1 TRP 126 H 0.23 0.11 0.11 -0.55 7.97 7.87 3dw9A1 TRP 126 HA -0.05 0.15 0.75 -0.75 4.62 4.72 3dw9A1 TRP 126 HB2 -0.07 0.05 0.17 -0.04 3.23 3.34 3dw9A1 TRP 126 HB3 -0.04 -0.09 0.23 -0.04 3.23 3.30 3dw9A1 TRP 126 HD1 -0.02 -0.13 0.05 -0.04 7.22 7.08 3dw9A1 TRP 126 HE1 -0.02 0.31 0.08 -0.04 10.20 10.53 3dw9A1 TRP 126 HE3 -0.12 0.06 0.10 -0.04 7.59 7.59 3dw9A1 TRP 126 HZ2 -0.58 -0.06 -0.16 -0.04 7.44 6.59 3dw9A1 TRP 126 HZ3 -0.07 0.03 -0.11 -0.04 7.13 6.93 3dw9A1 TRP 126 HH2 -1.10 -0.06 -0.05 -0.04 7.19 5.94 3dw9A1 ARG 127 H -0.35 0.17 -0.02 -0.55 8.46 7.71 3dw9A1 ARG 127 HA -0.09 -0.01 0.34 -0.75 4.34 3.83 3dw9A1 ARG 127 HB2 -0.28 0.05 0.02 -0.04 1.90 1.65 3dw9A1 ARG 127 HB3 -0.11 -0.13 0.10 -0.04 1.80 1.63 3dw9A1 ARG 127 HG2 -0.06 -0.05 0.04 -0.04 1.67 1.57 3dw9A1 ARG 127 HG3 -0.10 0.04 -0.01 -0.04 1.67 1.55 3dw9A1 ARG 127 HD2 -0.12 0.02 0.04 -0.04 3.22 3.12 3dw9A1 ARG 127 HD3 -0.05 -0.02 0.04 -0.04 3.22 3.15 3dw9A1 SER 128 H -0.06 -0.07 0.13 -0.55 8.46 7.92 3dw9A1 SER 128 HA -0.06 0.28 0.45 -0.75 4.49 4.40 3dw9A1 SER 128 HB2 0.05 -0.11 0.08 -0.04 3.95 3.93 3dw9A1 SER 128 HB3 0.08 0.22 -0.14 -0.04 3.93 4.05 3dw9A1 GLN 129 H -0.00 0.02 0.07 -0.55 8.47 8.01 3dw9A1 GLN 129 HA 0.01 0.12 0.85 -0.75 4.36 4.58 3dw9A1 GLN 129 HB2 0.02 -0.00 0.19 -0.04 2.15 2.32 3dw9A1 GLN 129 HB3 0.02 0.01 0.02 -0.04 2.02 2.04 3dw9A1 GLN 129 HG2 0.01 -0.01 -0.00 -0.04 2.40 2.36 3dw9A1 GLN 129 HG3 0.01 -0.02 0.01 -0.04 2.39 2.35 3dw9A1 GLN 129 HE21 0.01 0.08 -0.25 -0.04 6.97 6.77 3dw9A1 GLN 129 HE22 0.01 -0.04 -0.19 -0.04 7.69 7.44 3dw9A1 PRO 130 HA -0.01 0.03 0.27 -0.51 4.44 4.22 3dw9A1 PRO 130 HB2 -0.16 0.06 -0.08 -0.04 2.28 2.05 3dw9A1 PRO 130 HB3 -0.05 -0.05 0.01 -0.04 2.02 1.90 3dw9A1 PRO 130 HG2 0.10 0.17 0.04 -0.04 2.03 2.30 3dw9A1 PRO 130 HG3 -0.01 -0.07 -0.10 -0.04 2.03 1.81 3dw9A1 PRO 130 HD2 0.16 0.14 0.45 -0.04 3.68 4.39 3dw9A1 PRO 130 HD3 0.08 0.10 -0.20 -0.04 3.65 3.59 3dw9A1 ARG 131 H -0.10 0.02 0.10 -0.55 8.46 7.93 3dw9A1 ARG 131 HA 0.06 0.18 0.60 -0.75 4.34 4.43 3dw9A1 ARG 131 HB2 -0.04 -0.10 0.14 -0.04 1.90 1.86 3dw9A1 ARG 131 HB3 0.03 -0.01 -0.06 -0.04 1.80 1.72 3dw9A1 ARG 131 HG2 0.05 0.04 0.06 -0.04 1.67 1.79 3dw9A1 ARG 131 HG3 0.01 0.15 0.10 -0.04 1.67 1.88 3dw9A1 ARG 131 HD2 0.00 -0.07 0.02 -0.04 3.22 3.14 3dw9A1 ARG 131 HD3 0.03 0.00 -0.00 -0.04 3.22 3.21 3dw9A1 TYR 132 H 0.35 0.34 0.15 -0.55 8.29 8.58 3dw9A1 TYR 132 HA 0.15 0.06 0.76 -0.75 4.56 4.78 3dw9A1 TYR 132 HB2 0.27 0.07 -0.05 -0.04 3.06 3.30 3dw9A1 TYR 132 HB3 0.31 0.04 -0.14 -0.04 2.98 3.16 3dw9A1 TYR 132 HD2 0.12 0.06 -0.21 -0.04 7.15 7.09 3dw9A1 TYR 132 HE2 -0.15 0.08 -0.01 -0.04 6.85 6.72 3dw9A1 SER 133 H 0.20 0.08 0.06 -0.55 8.46 8.24 3dw9A1 SER 133 HA 0.06 -0.05 0.15 -0.75 4.49 3.89 3dw9A1 SER 133 HB2 0.07 -0.07 0.13 -0.04 3.95 4.04 3dw9A1 SER 133 HB3 0.01 0.07 0.04 -0.04 3.93 4.02 3dw9A1 ARG 134 H -0.13 -0.03 0.19 -0.55 8.46 7.94 3dw9A1 ARG 134 HA -1.92 0.10 0.48 -0.75 4.34 2.25 3dw9A1 ARG 134 HB2 -0.36 -0.05 0.16 -0.04 1.90 1.62 3dw9A1 ARG 134 HB3 -0.29 -0.11 0.08 -0.04 1.80 1.45 3dw9A1 ARG 134 HG2 -0.56 0.35 -0.23 -0.04 1.67 1.19 3dw9A1 ARG 134 HG3 -0.61 -0.03 0.07 -0.04 1.67 1.05 3dw9A1 ARG 134 HD2 -0.14 -0.11 0.01 -0.04 3.22 2.93 3dw9A1 ARG 134 HD3 -0.20 -0.04 -0.07 -0.04 3.22 2.88 3dw9A1 PRO 135 HA -0.24 -0.00 0.49 -0.51 4.44 4.17 3dw9A1 PRO 135 HB2 -0.32 0.12 -0.05 -0.04 2.28 1.99 3dw9A1 PRO 135 HB3 0.03 -0.05 0.09 -0.04 2.02 2.05 3dw9A1 PRO 135 HG2 -0.62 0.08 0.07 -0.04 2.03 1.51 3dw9A1 PRO 135 HG3 -0.55 -0.01 0.07 -0.04 2.03 1.50 3dw9A1 PRO 135 HD2 -1.86 0.10 0.21 -0.04 3.68 2.08 3dw9A1 PRO 135 HD3 -3.44 0.11 0.20 -0.04 3.65 0.48 3dw9A1 THR 136 H -0.11 0.02 0.16 -0.55 8.28 7.80 3dw9A1 THR 136 HA -0.15 0.17 0.52 -0.75 4.39 4.17 3dw9A1 THR 136 HB -0.07 -0.02 0.03 -0.04 4.32 4.21 3dw9A1 THR 136 HG23 -0.08 -0.00 0.00 -0.04 1.22 1.10 3dw9A1 LEU 137 H -0.04 -0.05 -0.01 -0.55 8.37 7.72 3dw9A1 LEU 137 HA -0.05 -0.04 0.39 -0.75 4.35 3.90 3dw9A1 LEU 137 HB2 0.08 -0.02 0.13 -0.04 1.64 1.79 3dw9A1 LEU 137 HB3 -0.04 0.01 -0.10 -0.04 1.64 1.46 3dw9A1 LEU 137 HG -0.02 0.17 -0.11 -0.04 1.64 1.64 3dw9A1 LEU 137 HD13 -0.00 -0.02 0.05 -0.04 0.93 0.92 3dw9A1 LEU 137 HD23 0.20 0.10 -0.30 -0.04 0.89 0.85 3dw9A1 SER 138 H -0.07 0.01 0.16 -0.55 8.46 8.01 3dw9A1 SER 138 HA -0.12 0.13 0.56 -0.75 4.49 4.31 3dw9A1 SER 138 HB2 -0.07 0.04 0.09 -0.04 3.95 3.97 3dw9A1 SER 138 HB3 -0.07 -0.07 0.15 -0.04 3.93 3.91 3dw9A1 PRO 139 HA -0.27 0.05 0.32 -0.51 4.44 4.03 3dw9A1 PRO 139 HB2 -0.11 -0.07 0.03 -0.04 2.28 2.08 3dw9A1 PRO 139 HB3 -0.18 0.15 0.19 -0.04 2.02 2.13 3dw9A1 PRO 139 HG2 -0.12 -0.03 0.09 -0.04 2.03 1.93 3dw9A1 PRO 139 HG3 -0.21 0.08 0.02 -0.04 2.03 1.88 3dw9A1 PRO 139 HD2 -0.11 -0.02 0.21 -0.04 3.68 3.73 3dw9A1 PRO 139 HD3 -0.16 0.25 0.27 -0.04 3.65 3.97 3dw9A1 SER 140 H -0.16 0.25 0.23 -0.55 8.46 8.23 3dw9A1 SER 140 HA -0.06 0.06 0.37 -0.75 4.49 4.11 3dw9A1 SER 140 HB2 -0.05 0.14 0.26 -0.04 3.95 4.26 3dw9A1 SER 140 HB3 -0.05 0.00 -0.02 -0.04 3.93 3.82 3dw9A1 PRO 141 HA -0.03 0.11 0.36 -0.51 4.44 4.38 3dw9A1 PRO 141 HB2 -0.00 -0.04 0.04 -0.04 2.28 2.23 3dw9A1 PRO 141 HB3 0.00 0.12 0.13 -0.04 2.02 2.23 3dw9A1 PRO 141 HG2 -0.01 -0.02 0.08 -0.04 2.03 2.03 3dw9A1 PRO 141 HG3 -0.02 0.08 0.13 -0.04 2.03 2.17 3dw9A1 PRO 141 HD2 -0.02 0.06 0.20 -0.04 3.68 3.88 3dw9A1 PRO 141 HD3 -0.04 0.16 0.20 -0.04 3.65 3.93 3dw9A1 ARG 142 H -0.02 0.12 -0.42 -0.55 8.46 7.59 3dw9A1 ARG 142 HA -0.01 0.07 0.44 -0.75 4.34 4.08 3dw9A1 ARG 142 HB2 -0.01 0.17 0.02 -0.04 1.90 2.04 3dw9A1 ARG 142 HB3 -0.01 -0.04 0.15 -0.04 1.80 1.86 3dw9A1 ARG 142 HG2 -0.01 -0.06 -0.02 -0.04 1.67 1.54 3dw9A1 ARG 142 HG3 -0.01 0.10 0.05 -0.04 1.67 1.76 3dw9A1 ARG 142 HD2 -0.01 0.03 0.03 -0.04 3.22 3.23 3dw9A1 ARG 142 HD3 -0.01 -0.07 0.02 -0.04 3.22 3.12 3dw9A1 ARG 143 H 0.02 0.32 -0.47 -0.55 8.46 7.78 3dw9A1 ARG 143 HA 0.08 0.15 0.73 -0.75 4.34 4.54 3dw9A1 ARG 143 HB2 0.22 -0.07 0.15 -0.04 1.90 2.17 3dw9A1 ARG 143 HB3 0.07 0.06 -0.10 -0.04 1.80 1.78 3dw9A1 ARG 143 HG2 -0.00 -0.13 -0.12 -0.04 1.67 1.37 3dw9A1 ARG 143 HG3 -0.01 0.06 -0.05 -0.04 1.67 1.63 3dw9A1 ARG 143 HD2 -0.07 0.08 -0.10 -0.04 3.22 3.09 3dw9A1 ARG 143 HD3 0.11 -0.10 -0.10 -0.04 3.22 3.09 3dw9A1 GLN 144 H 0.06 0.25 -0.10 -0.55 8.47 8.13 3dw9A1 GLN 144 HA 0.34 0.10 0.73 -0.75 4.36 4.77 3dw9A1 GLN 144 HB2 0.01 -0.00 0.08 -0.04 2.15 2.20 3dw9A1 GLN 144 HB3 0.06 0.02 0.10 -0.04 2.02 2.15 3dw9A1 GLN 144 HG2 0.05 -0.03 0.15 -0.04 2.40 2.53 3dw9A1 GLN 144 HG3 0.02 0.04 0.13 -0.04 2.39 2.53 3dw9A1 GLN 144 HE21 0.05 0.44 0.23 -0.04 6.97 7.65 3dw9A1 GLN 144 HE22 0.02 0.30 0.26 -0.04 7.69 8.23 3dw9A1 VAL 145 H 0.16 0.23 0.18 -0.55 8.24 8.25 3dw9A1 VAL 145 HA -0.05 0.15 0.94 -0.75 4.13 4.42 3dw9A1 VAL 145 HB -0.04 -0.04 -0.09 -0.04 2.12 1.91 3dw9A1 VAL 145 HG13 -0.10 0.02 -0.27 -0.04 0.97 0.58 3dw9A1 VAL 145 HG23 -0.11 -0.02 -0.10 -0.04 0.95 0.68 3dw9A1 ALA 146 H -0.14 1.20 0.37 -0.55 8.40 9.29 3dw9A1 ALA 146 HA -0.25 0.15 0.80 -0.75 4.34 4.30 3dw9A1 ALA 146 HB3 -0.46 0.00 -0.04 -0.04 1.41 0.87 3dw9A1 VAL 147 H -0.09 0.22 0.08 -0.55 8.24 7.90 3dw9A1 VAL 147 HA 0.06 0.16 0.95 -0.75 4.13 4.54 3dw9A1 VAL 147 HB 0.16 0.01 0.07 -0.04 2.12 2.32 3dw9A1 VAL 147 HG13 0.18 -0.03 -0.28 -0.04 0.97 0.80 3dw9A1 VAL 147 HG23 0.12 0.03 -0.20 -0.04 0.95 0.86 3dw9A1 LEU 148 H 0.07 0.83 0.24 -0.55 8.37 8.97 3dw9A1 LEU 148 HA 0.26 0.19 0.73 -0.75 4.35 4.78 3dw9A1 LEU 148 HB2 0.06 -0.03 0.18 -0.04 1.64 1.82 3dw9A1 LEU 148 HB3 0.13 -0.03 -0.09 -0.04 1.64 1.61 3dw9A1 LEU 148 HG 0.09 0.07 -0.28 -0.04 1.64 1.49 3dw9A1 LEU 148 HD13 0.12 -0.00 -0.12 -0.04 0.93 0.89 3dw9A1 LEU 148 HD23 0.31 0.01 -0.46 -0.04 0.89 0.70 3dw9A1 ASN 149 H 0.13 0.28 0.09 -0.55 8.53 8.48 3dw9A1 ASN 149 HA 0.01 0.07 0.86 -0.75 4.76 4.94 3dw9A1 ASN 149 HB2 0.01 -0.04 0.05 -0.04 2.88 2.86 3dw9A1 ASN 149 HB3 0.00 0.03 0.09 -0.04 2.79 2.87 3dw9A1 ASN 149 HD21 -0.06 -0.07 -0.10 -0.04 7.03 6.76 3dw9A1 ASN 149 HD22 -0.06 -0.03 -0.07 -0.04 7.74 7.53 3dw9A1 LEU 150 H -0.07 0.54 0.26 -0.55 8.37 8.56 3dw9A1 LEU 150 HA -0.52 0.10 0.50 -0.75 4.35 3.67 3dw9A1 LEU 150 HB2 -0.06 0.13 -0.06 -0.04 1.64 1.61 3dw9A1 LEU 150 HB3 -0.40 -0.03 -0.05 -0.04 1.64 1.12 3dw9A1 LEU 150 HG -0.09 0.02 -0.13 -0.04 1.64 1.40 3dw9A1 LEU 150 HD13 0.23 0.00 -0.15 -0.04 0.93 0.98 3dw9A1 LEU 150 HD23 -0.43 -0.01 -0.24 -0.04 0.89 0.16 3dw9A1 PRO 151 HA -0.11 0.03 0.49 -0.51 4.44 4.35 3dw9A1 PRO 151 HB2 -0.08 0.10 0.06 -0.04 2.28 2.32 3dw9A1 PRO 151 HB3 -0.18 0.07 0.12 -0.04 2.02 1.99 3dw9A1 PRO 151 HG2 -0.25 -0.03 -0.08 -0.04 2.03 1.63 3dw9A1 PRO 151 HG3 -0.89 0.04 0.02 -0.04 2.03 1.16 3dw9A1 PRO 151 HD2 -1.47 0.02 0.14 -0.04 3.68 2.32 3dw9A1 PRO 151 HD3 -1.39 0.24 0.19 -0.04 3.65 2.66 3dw9A1 ARG 152 H -0.01 0.07 0.15 -0.55 8.46 8.12 3dw9A1 ARG 152 HA 0.04 0.04 0.59 -0.75 4.34 4.25 3dw9A1 ARG 152 HB2 0.02 0.00 0.12 -0.04 1.90 2.00 3dw9A1 ARG 152 HB3 0.03 0.01 0.04 -0.04 1.80 1.84 3dw9A1 ARG 152 HG2 0.03 0.03 0.08 -0.04 1.67 1.77 3dw9A1 ARG 152 HG3 0.01 0.00 0.10 -0.04 1.67 1.75 3dw9A1 ARG 152 HD2 0.02 -0.01 0.03 -0.04 3.22 3.22 3dw9A1 ARG 152 HD3 0.03 0.01 0.02 -0.04 3.22 3.24 3dw9A1 SER 153 H 0.06 0.10 0.14 -0.55 8.46 8.21 3dw9A1 SER 153 HA 0.05 -0.01 0.31 -0.75 4.49 4.08 3dw9A1 SER 153 HB2 0.04 0.01 -0.41 -0.04 3.95 3.55 3dw9A1 SER 153 HB3 0.06 0.04 0.11 -0.04 3.93 4.09 3dw9A1 PHE 154 H 0.17 0.33 -0.23 -0.55 8.34 8.05 3dw9A1 PHE 154 HA -0.03 0.02 0.09 -0.75 4.62 3.95 3dw9A1 PHE 154 HB2 -0.15 0.14 -0.04 -0.04 3.15 3.07 3dw9A1 PHE 154 HB3 -0.02 -0.03 -0.12 -0.04 3.06 2.85 3dw9A1 PHE 154 HD2 -0.02 -0.01 -0.17 -0.04 7.28 7.04 3dw9A1 PHE 154 HE2 0.20 -0.00 -0.12 -0.04 7.38 7.42 3dw9A1 PHE 154 HZ 0.19 0.03 -0.18 -0.04 7.32 7.31 3dw9A1 ASP 155 H -0.92 0.18 0.07 -0.55 8.40 7.18 3dw9A1 ASP 155 HA -0.26 0.36 0.71 -0.75 4.63 4.69 3dw9A1 ASP 155 HB2 -0.23 0.11 0.05 -0.04 2.71 2.60 3dw9A1 ASP 155 HB3 -0.38 -0.07 0.18 -0.04 2.70 2.39 3dw9A1 TRP 156 H -0.11 0.68 0.15 -0.55 7.97 8.15 3dw9A1 TRP 156 HA 0.06 0.08 0.25 -0.75 4.62 4.25 3dw9A1 TRP 156 HB2 0.09 0.03 0.05 -0.04 3.23 3.35 3dw9A1 TRP 156 HB3 0.12 0.03 0.12 -0.04 3.23 3.46 3dw9A1 TRP 156 HD1 0.06 0.06 -0.32 -0.04 7.22 6.98 3dw9A1 TRP 156 HE1 0.04 -0.06 -0.09 -0.04 10.20 10.04 3dw9A1 TRP 156 HE3 0.01 -0.02 -0.44 -0.04 7.59 7.10 3dw9A1 TRP 156 HZ2 -0.01 -0.01 -0.17 -0.04 7.44 7.21 3dw9A1 TRP 156 HZ3 -0.01 0.03 -0.09 -0.04 7.13 7.02 3dw9A1 TRP 156 HH2 -0.03 0.01 -0.06 -0.04 7.19 7.07 3dw9A1 VAL 157 H -0.97 0.09 -0.36 -0.55 8.24 6.45 3dw9A1 VAL 157 HA -0.34 0.07 0.41 -0.75 4.13 3.51 3dw9A1 VAL 157 HB -0.55 0.01 0.02 -0.04 2.12 1.55 3dw9A1 VAL 157 HG13 -0.24 0.01 -0.04 -0.04 0.97 0.67 3dw9A1 VAL 157 HG23 -1.36 0.00 -0.01 -0.04 0.95 -0.46 3dw9A1 SER 158 H -0.31 0.57 -0.39 -0.55 8.46 7.78 3dw9A1 SER 158 HA -0.05 0.09 0.30 -0.75 4.49 4.08 3dw9A1 SER 158 HB2 -0.02 -0.02 0.09 -0.04 3.95 3.96 3dw9A1 SER 158 HB3 -0.23 -0.04 0.09 -0.04 3.93 3.71 3dw9A1 LEU 159 H 0.14 0.51 -0.39 -0.55 8.37 8.08 3dw9A1 LEU 159 HA 0.22 0.06 0.72 -0.75 4.35 4.60 3dw9A1 LEU 159 HB2 0.29 0.12 0.09 -0.04 1.64 2.09 3dw9A1 LEU 159 HB3 0.19 -0.02 -0.01 -0.04 1.64 1.76 3dw9A1 LEU 159 HG 0.57 -0.04 -0.01 -0.04 1.64 2.13 3dw9A1 LEU 159 HD13 0.31 -0.01 -0.03 -0.04 0.93 1.16 3dw9A1 LEU 159 HD23 0.31 -0.00 -0.10 -0.04 0.89 1.06 3dw9A1 LEU 160 H 0.10 0.31 -0.14 -0.55 8.37 8.09 3dw9A1 LEU 160 HA 0.08 0.24 0.26 -0.75 4.35 4.18 3dw9A1 LEU 160 HB2 0.04 0.10 0.12 -0.04 1.64 1.86 3dw9A1 LEU 160 HB3 0.06 -0.05 0.05 -0.04 1.64 1.66 3dw9A1 LEU 160 HG 0.25 -0.03 -0.00 -0.04 1.64 1.82 3dw9A1 LEU 160 HD13 0.20 -0.02 -0.04 -0.04 0.93 1.03 3dw9A1 LEU 160 HD23 0.13 0.02 -0.14 -0.04 0.89 0.87 3dw9A1 VAL 161 H 0.03 0.48 0.11 -0.55 8.24 8.31 3dw9A1 VAL 161 HA 0.01 0.50 0.51 -0.75 4.13 4.39 3dw9A1 VAL 161 HB 0.00 -0.07 0.10 -0.04 2.12 2.11 3dw9A1 VAL 161 HG13 -0.01 0.08 -0.18 -0.04 0.97 0.82 3dw9A1 VAL 161 HG23 0.01 -0.08 0.05 -0.04 0.95 0.89 3dw9A1 PRO 162 HA 0.00 0.09 0.39 -0.51 4.44 4.42 3dw9A1 PRO 162 HB2 0.01 -0.03 0.07 -0.04 2.28 2.28 3dw9A1 PRO 162 HB3 0.00 0.03 0.08 -0.04 2.02 2.09 3dw9A1 PRO 162 HG2 0.01 0.03 0.13 -0.04 2.03 2.16 3dw9A1 PRO 162 HG3 0.01 0.08 0.14 -0.04 2.03 2.22 3dw9A1 PRO 162 HD2 0.01 0.07 0.29 -0.04 3.68 4.01 3dw9A1 PRO 162 HD3 0.01 0.40 0.36 -0.04 3.65 4.38 3dw9A1 GLU 163 H 0.01 0.15 -0.23 -0.55 8.60 7.98 3dw9A1 GLU 163 HA 0.01 0.06 0.36 -0.75 4.29 3.96 3dw9A1 GLU 163 HB2 0.01 -0.00 0.05 -0.04 2.09 2.10 3dw9A1 GLU 163 HB3 0.00 0.05 0.03 -0.04 1.99 2.03 3dw9A1 GLU 163 HG2 0.00 0.04 0.03 -0.04 2.34 2.37 3dw9A1 GLU 163 HG3 0.00 0.00 0.03 -0.04 2.34 2.33 3dw9A1 SER 164 H 0.01 0.18 -0.24 -0.55 8.46 7.86 3dw9A1 SER 164 HA 0.01 0.09 0.55 -0.75 4.49 4.38 3dw9A1 SER 164 HB2 0.03 0.15 0.14 -0.04 3.95 4.23 3dw9A1 SER 164 HB3 0.04 0.00 0.08 -0.04 3.93 4.02 3dw9A1 GLN 165 H 0.01 0.54 -0.12 -0.55 8.47 8.34 3dw9A1 GLN 165 HA -0.03 -0.02 0.37 -0.75 4.36 3.92 3dw9A1 GLN 165 HB2 -0.01 0.09 0.08 -0.04 2.15 2.27 3dw9A1 GLN 165 HB3 -0.03 -0.09 -0.03 -0.04 2.02 1.83 3dw9A1 GLN 165 HG2 -0.04 -0.01 0.03 -0.04 2.40 2.33 3dw9A1 GLN 165 HG3 -0.00 0.21 -0.18 -0.04 2.39 2.37 3dw9A1 GLN 165 HE21 0.00 -0.09 -0.02 -0.04 6.97 6.82 3dw9A1 GLN 165 HE22 0.01 0.60 -0.02 -0.04 7.69 8.25 3dw9A1 GLU 166 H 0.00 0.61 -0.21 -0.55 8.60 8.46 3dw9A1 GLU 166 HA -0.00 -0.01 0.57 -0.75 4.29 4.10 3dw9A1 GLU 166 HB2 0.01 0.15 0.14 -0.04 2.09 2.34 3dw9A1 GLU 166 HB3 0.01 -0.05 0.03 -0.04 1.99 1.93 3dw9A1 GLU 166 HG2 0.00 -0.05 0.02 -0.04 2.34 2.26 3dw9A1 GLU 166 HG3 -0.00 0.06 0.01 -0.04 2.34 2.37 3dw9A1 VAL 167 H 0.01 0.43 -0.20 -0.55 8.24 7.93 3dw9A1 VAL 167 HA 0.03 0.01 0.42 -0.75 4.13 3.83 3dw9A1 VAL 167 HB 0.01 0.12 0.20 -0.04 2.12 2.41 3dw9A1 VAL 167 HG13 0.00 0.01 0.00 -0.04 0.97 0.94 3dw9A1 VAL 167 HG23 0.01 0.09 0.14 -0.04 0.95 1.15 3dw9A1 ILE 168 H 0.02 0.39 -0.14 -0.55 8.25 7.97 3dw9A1 ILE 168 HA 0.10 0.05 0.28 -0.75 4.18 3.86 3dw9A1 ILE 168 HB -0.03 0.07 0.10 -0.04 1.89 1.99 3dw9A1 ILE 168 HG12 0.02 -0.02 -0.03 -0.04 1.49 1.41 3dw9A1 ILE 168 HG13 0.01 0.09 0.01 -0.04 1.21 1.28 3dw9A1 ILE 168 HG23 -0.01 -0.02 -0.15 -0.04 0.93 0.71 3dw9A1 ILE 168 HD13 -0.03 -0.01 -0.08 -0.04 0.88 0.71 3dw9A1 GLU 169 H 0.01 0.64 -0.05 -0.55 8.60 8.65 3dw9A1 GLU 169 HA -0.01 -0.04 0.46 -0.75 4.29 3.95 3dw9A1 GLU 169 HB2 -0.02 -0.02 0.12 -0.04 2.09 2.13 3dw9A1 GLU 169 HB3 -0.00 0.13 0.24 -0.04 1.99 2.31 3dw9A1 GLU 169 HG2 -0.01 -0.02 -0.02 -0.04 2.34 2.25 3dw9A1 GLU 169 HG3 -0.01 0.03 -0.21 -0.04 2.34 2.11 3dw9A1 GLU 170 H 0.04 0.65 -0.23 -0.55 8.60 8.51 3dw9A1 GLU 170 HA 0.01 -0.03 0.40 -0.75 4.29 3.92 3dw9A1 GLU 170 HB2 0.05 0.23 0.22 -0.04 2.09 2.56 3dw9A1 GLU 170 HB3 0.06 -0.04 -0.04 -0.04 1.99 1.93 3dw9A1 GLU 170 HG2 0.02 0.01 0.05 -0.04 2.34 2.39 3dw9A1 GLU 170 HG3 0.02 -0.02 0.02 -0.04 2.34 2.31 3dw9A1 PHE 171 H 0.18 0.59 -0.06 -0.55 8.34 8.50 3dw9A1 PHE 171 HA -0.00 -0.01 0.42 -0.75 4.62 4.28 3dw9A1 PHE 171 HB2 -0.00 0.03 0.13 -0.04 3.15 3.26 3dw9A1 PHE 171 HB3 -0.01 0.10 0.23 -0.04 3.06 3.34 3dw9A1 PHE 171 HD2 -0.00 0.02 -0.01 -0.04 7.28 7.24 3dw9A1 PHE 171 HE2 0.01 -0.02 -0.07 -0.04 7.38 7.26 3dw9A1 PHE 171 HZ 0.02 -0.02 -0.07 -0.04 7.32 7.20 3dw9A1 ARG 172 H 0.04 0.80 -0.02 -0.55 8.46 8.72 3dw9A1 ARG 172 HA -0.43 -0.01 0.40 -0.75 4.34 3.55 3dw9A1 ARG 172 HB2 -0.04 0.09 0.10 -0.04 1.90 2.01 3dw9A1 ARG 172 HB3 -0.09 -0.09 -0.08 -0.04 1.80 1.51 3dw9A1 ARG 172 HG2 -0.03 -0.13 -0.03 -0.04 1.67 1.44 3dw9A1 ARG 172 HG3 0.11 0.10 0.01 -0.04 1.67 1.84 3dw9A1 ARG 172 HD2 -0.02 0.01 -0.18 -0.04 3.22 2.99 3dw9A1 ARG 172 HD3 -0.04 -0.05 -0.07 -0.04 3.22 3.02 3dw9A1 ALA 173 H -0.06 0.82 -0.03 -0.55 8.40 8.58 3dw9A1 ALA 173 HA -0.06 -0.04 0.53 -0.75 4.34 4.02 3dw9A1 ALA 173 HB3 -0.03 0.02 0.11 -0.04 1.41 1.47 3dw9A1 GLY 174 H -0.10 0.51 -0.32 -0.55 8.43 7.96 3dw9A1 GLY 174 HA2 -0.06 -0.03 0.41 -0.51 4.01 3.83 3dw9A1 GLY 174 HA3 -0.10 0.11 0.31 -0.51 4.01 3.81 3dw9A1 LEU 175 H -0.27 0.33 -0.16 -0.55 8.37 7.72 3dw9A1 LEU 175 HA -0.12 0.03 0.49 -0.75 4.35 4.00 3dw9A1 LEU 175 HB2 -0.21 0.13 -0.08 -0.04 1.64 1.44 3dw9A1 LEU 175 HB3 -0.14 -0.12 -0.19 -0.04 1.64 1.15 3dw9A1 LEU 175 HG -0.71 0.21 0.01 -0.04 1.64 1.11 3dw9A1 LEU 175 HD13 -0.38 -0.01 -0.20 -0.04 0.93 0.29 3dw9A1 LEU 175 HD23 -0.19 -0.01 -0.07 -0.04 0.89 0.57 3dw9A1 ARG 176 H -0.10 0.48 -0.16 -0.55 8.46 8.12 3dw9A1 ARG 176 HA -0.05 0.22 0.35 -0.75 4.34 4.11 3dw9A1 ARG 176 HB2 -0.06 0.06 0.19 -0.04 1.90 2.05 3dw9A1 ARG 176 HB3 -0.04 -0.07 0.06 -0.04 1.80 1.70 3dw9A1 ARG 176 HG2 -0.05 0.18 0.09 -0.04 1.67 1.85 3dw9A1 ARG 176 HG3 -0.07 0.09 -0.01 -0.04 1.67 1.63 3dw9A1 ARG 176 HD2 -0.04 -0.02 0.00 -0.04 3.22 3.12 3dw9A1 ARG 176 HD3 -0.04 -0.07 -0.02 -0.04 3.22 3.04 3dw9A1 LYS 177 H -0.05 0.36 -0.35 -0.55 8.42 7.83 3dw9A1 LYS 177 HA -0.03 0.04 0.53 -0.75 4.32 4.11 3dw9A1 LYS 177 HB2 -0.02 -0.07 0.09 -0.04 1.87 1.82 3dw9A1 LYS 177 HB3 -0.03 0.07 0.11 -0.04 1.79 1.90 3dw9A1 LYS 177 HG2 -0.04 0.31 0.08 -0.04 1.46 1.77 3dw9A1 LYS 177 HG3 -0.02 -0.06 -0.16 -0.04 1.46 1.18 3dw9A1 LYS 177 HD2 -0.02 -0.09 0.00 -0.04 1.69 1.55 3dw9A1 LYS 177 HD3 -0.02 -0.02 0.04 -0.04 1.68 1.64 3dw9A1 LYS 177 HE2 -0.01 -0.10 0.03 -0.04 2.99 2.87 3dw9A1 LYS 177 HE3 -0.03 0.06 0.13 -0.04 2.99 3.12 3dw9A1 ASP 178 H -0.04 0.29 -0.24 -0.55 8.40 7.86 3dw9A1 ASP 178 HA -0.02 0.09 0.60 -0.75 4.63 4.55 3dw9A1 ASP 178 HB2 -0.03 0.06 0.11 -0.04 2.71 2.81 3dw9A1 ASP 178 HB3 -0.02 -0.05 0.17 -0.04 2.70 2.76 3dw9A1 GLY 179 H -0.03 0.35 -0.68 -0.55 8.43 7.53 3dw9A1 GLY 179 HA2 -0.02 0.05 0.28 -0.51 4.01 3.81 3dw9A1 GLY 179 HA3 -0.02 -0.03 0.44 -0.51 4.01 3.90 3dw9A1 LEU 180 H -0.04 0.42 -0.11 -0.55 8.37 8.09 3dw9A1 LEU 180 HA -0.02 0.11 0.70 -0.75 4.35 4.40 3dw9A1 LEU 180 HB2 -0.05 0.06 -0.05 -0.04 1.64 1.56 3dw9A1 LEU 180 HB3 -0.03 -0.06 0.10 -0.04 1.64 1.61 3dw9A1 LEU 180 HG -0.02 0.15 -0.28 -0.04 1.64 1.45 3dw9A1 LEU 180 HD13 -0.01 -0.02 -0.01 -0.04 0.93 0.85 3dw9A1 LEU 180 HD23 -0.00 0.00 -0.04 -0.04 0.89 0.81 3dw9A1 GLY 181 H -0.01 0.27 0.17 -0.55 8.43 8.31 3dw9A1 GLY 181 HA2 -0.06 0.12 0.40 -0.51 4.01 3.96 3dw9A1 GLY 181 HA3 -0.02 0.01 0.27 -0.51 4.01 3.76 3dw9A1 LEU 182 H -0.01 0.15 -0.08 -0.55 8.37 7.88 3dw9A1 LEU 182 HA 0.09 0.13 0.33 -0.75 4.35 4.15 3dw9A1 LEU 182 HB2 0.10 0.06 -0.06 -0.04 1.64 1.70 3dw9A1 LEU 182 HB3 0.13 -0.04 0.12 -0.04 1.64 1.81 3dw9A1 LEU 182 HG 0.14 0.02 -0.05 -0.04 1.64 1.71 3dw9A1 LEU 182 HD13 0.15 0.00 0.05 -0.04 0.93 1.09 3dw9A1 LEU 182 HD23 0.25 -0.01 -0.02 -0.04 0.89 1.07 3dw9A1 PRO 183 HA -0.02 0.04 0.47 -0.51 4.44 4.42 3dw9A1 PRO 183 HB2 0.05 0.00 -0.08 -0.04 2.28 2.21 3dw9A1 PRO 183 HB3 0.00 0.06 0.06 -0.04 2.02 2.10 3dw9A1 PRO 183 HG2 0.03 0.04 -0.01 -0.04 2.03 2.05 3dw9A1 PRO 183 HG3 0.01 0.05 0.01 -0.04 2.03 2.06 3dw9A1 PRO 183 HD2 0.09 0.13 0.02 -0.04 3.68 3.87 3dw9A1 PRO 183 HD3 0.03 0.04 -0.15 -0.04 3.65 3.52 3dw9A1 THR 184 H -0.09 0.19 0.23 -0.55 8.28 8.06 3dw9A1 THR 184 HA 0.11 0.14 0.84 -0.75 4.39 4.73 3dw9A1 THR 184 HB -0.65 -0.01 0.01 -0.04 4.32 3.62 3dw9A1 THR 184 HG23 -0.14 0.04 -0.09 -0.04 1.22 0.98 3dw9A1 SER 185 H 0.22 0.09 0.00 -0.55 8.46 8.23 3dw9A1 SER 185 HA 0.03 0.35 0.84 -0.75 4.49 4.95 3dw9A1 SER 185 HB2 0.09 0.09 0.12 -0.04 3.95 4.21 3dw9A1 SER 185 HB3 0.11 -0.04 -0.00 -0.04 3.93 3.96 3dw9A1 THR 186 H 0.25 0.21 0.13 -0.55 8.28 8.32 3dw9A1 THR 186 HA 0.52 0.04 0.59 -0.75 4.39 4.80 3dw9A1 THR 186 HB 0.29 0.18 -0.63 -0.04 4.32 4.12 3dw9A1 THR 186 HG23 0.17 -0.00 -0.17 -0.04 1.22 1.17 3dw9A1 PRO 187 HA 0.15 0.06 0.64 -0.51 4.44 4.78 3dw9A1 PRO 187 HB2 -0.48 0.15 0.12 -0.04 2.28 2.03 3dw9A1 PRO 187 HB3 -0.64 -0.00 0.05 -0.04 2.02 1.38 3dw9A1 PRO 187 HG2 -0.14 0.06 -0.19 -0.04 2.03 1.72 3dw9A1 PRO 187 HG3 -0.35 0.08 0.02 -0.04 2.03 1.74 3dw9A1 PRO 187 HD2 0.21 0.10 0.16 -0.04 3.68 4.11 3dw9A1 PRO 187 HD3 -0.01 0.10 0.08 -0.04 3.65 3.77 3dw9A1 ASP 188 H -0.08 0.28 0.35 -0.55 8.40 8.40 3dw9A1 ASP 188 HA 0.04 0.14 0.46 -0.75 4.63 4.51 3dw9A1 ASP 188 HB2 0.01 0.02 0.09 -0.04 2.71 2.79 3dw9A1 ASP 188 HB3 0.17 -0.00 0.10 -0.04 2.70 2.93 3dw9A1 LEU 189 H -0.19 0.31 0.02 -0.55 8.37 7.95 3dw9A1 LEU 189 HA -0.04 0.25 1.01 -0.75 4.35 4.81 3dw9A1 LEU 189 HB2 0.14 -0.00 -0.25 -0.04 1.64 1.49 3dw9A1 LEU 189 HB3 -0.21 -0.11 -0.01 -0.04 1.64 1.27 3dw9A1 LEU 189 HG -0.02 0.14 -0.32 -0.04 1.64 1.39 3dw9A1 LEU 189 HD13 0.07 -0.01 -0.18 -0.04 0.93 0.77 3dw9A1 LEU 189 HD23 -0.21 -0.01 -0.54 -0.04 0.89 0.09 3dw9A1 ALA 190 H -0.05 0.82 0.30 -0.55 8.40 8.93 3dw9A1 ALA 190 HA -0.19 0.27 1.00 -0.75 4.34 4.66 3dw9A1 ALA 190 HB3 -0.03 0.00 0.02 -0.04 1.41 1.36 3dw9A1 VAL 191 H -0.14 0.53 0.23 -0.55 8.24 8.31 3dw9A1 VAL 191 HA -0.00 0.32 1.01 -0.75 4.13 4.71 3dw9A1 VAL 191 HB -0.00 -0.12 0.18 -0.04 2.12 2.13 3dw9A1 VAL 191 HG13 0.13 0.01 -0.18 -0.04 0.97 0.88 3dw9A1 VAL 191 HG23 -0.11 -0.02 -0.10 -0.04 0.95 0.67 3dw9A1 VAL 192 H -0.03 0.79 0.31 -0.55 8.24 8.76 3dw9A1 VAL 192 HA -0.03 0.12 1.06 -0.75 4.13 4.53 3dw9A1 VAL 192 HB -0.03 0.14 0.00 -0.04 2.12 2.18 3dw9A1 VAL 192 HG13 0.01 -0.03 -0.14 -0.04 0.97 0.77 3dw9A1 VAL 192 HG23 -0.07 -0.00 -0.20 -0.04 0.95 0.63 3dw9A1 VAL 193 H -0.03 0.61 0.29 -0.55 8.24 8.56 3dw9A1 VAL 193 HA -0.04 0.15 0.61 -0.75 4.13 4.09 3dw9A1 VAL 193 HB -0.04 -0.13 0.16 -0.04 2.12 2.07 3dw9A1 VAL 193 HG13 -0.02 0.07 -0.06 -0.04 0.97 0.92 3dw9A1 VAL 193 HG23 -0.01 0.01 0.08 -0.04 0.95 0.98 3dw9A1 LEU 194 H -0.10 0.39 -0.03 -0.55 8.37 8.08 3dw9A1 LEU 194 HA -0.29 0.02 0.22 -0.75 4.35 3.54 3dw9A1 LEU 194 HB2 -0.26 -0.02 -0.34 -0.04 1.64 0.97 3dw9A1 LEU 194 HB3 -0.13 0.03 -0.10 -0.04 1.64 1.40 3dw9A1 LEU 194 HG -0.19 0.02 -0.26 -0.04 1.64 1.18 3dw9A1 LEU 194 HD13 -1.32 -0.01 -0.13 -0.04 0.93 -0.58 3dw9A1 LEU 194 HD23 -0.15 0.02 -0.18 -0.04 0.89 0.54 3dw9A1 PRO 195 HA -0.15 0.06 0.63 -0.51 4.44 4.46 3dw9A1 PRO 195 HB2 -0.76 -0.11 -0.00 -0.04 2.28 1.36 3dw9A1 PRO 195 HB3 -0.36 0.02 0.09 -0.04 2.02 1.73 3dw9A1 PRO 195 HG2 -0.32 0.04 0.02 -0.04 2.03 1.73 3dw9A1 PRO 195 HG3 -0.18 0.21 0.05 -0.04 2.03 2.06 3dw9A1 PRO 195 HD2 -0.25 0.00 0.11 -0.04 3.68 3.50 3dw9A1 PRO 195 HD3 -0.19 0.25 0.09 -0.04 3.65 3.76 3dw9A1 GLU 196 H -0.10 0.18 0.18 -0.55 8.60 8.31 3dw9A1 GLU 196 HA -0.03 0.15 0.35 -0.75 4.29 4.00 3dw9A1 GLU 196 HB2 -0.04 0.08 0.18 -0.04 2.09 2.27 3dw9A1 GLU 196 HB3 -0.05 -0.09 0.17 -0.04 1.99 1.99 3dw9A1 GLU 196 HG2 -0.01 -0.02 -0.10 -0.04 2.34 2.17 3dw9A1 GLU 196 HG3 -0.00 0.00 0.01 -0.04 2.34 2.30 3dw9A1 GLU 197 H -0.11 0.10 -0.12 -0.55 8.60 7.92 3dw9A1 GLU 197 HA 0.04 0.03 0.24 -0.75 4.29 3.85 3dw9A1 GLU 197 HB2 0.05 0.01 0.08 -0.04 2.09 2.19 3dw9A1 GLU 197 HB3 -0.05 -0.03 0.09 -0.04 1.99 1.97 3dw9A1 GLU 197 HG2 -0.77 0.05 -0.19 -0.04 2.34 1.39 3dw9A1 GLU 197 HG3 -0.25 0.04 -0.06 -0.04 2.34 2.02 3dw9A1 PHE 198 H -0.01 0.64 -0.65 -0.55 8.34 7.78 3dw9A1 PHE 198 HA 0.13 0.15 1.08 -0.75 4.62 5.22 3dw9A1 PHE 198 HB2 -0.06 0.16 -0.07 -0.04 3.15 3.14 3dw9A1 PHE 198 HB3 0.37 -0.12 0.07 -0.04 3.06 3.34 3dw9A1 PHE 198 HD2 0.04 0.07 -0.30 -0.04 7.28 7.05 3dw9A1 PHE 198 HE2 0.14 0.02 -0.14 -0.04 7.38 7.36 3dw9A1 PHE 198 HZ 0.12 0.18 0.04 -0.04 7.32 7.62 3dw9A1 GLN 199 H 0.09 0.57 0.13 -0.55 8.47 8.71 3dw9A1 GLN 199 HA 0.07 0.05 0.35 -0.75 4.36 4.07 3dw9A1 GLN 199 HB2 0.03 0.01 0.10 -0.04 2.15 2.24 3dw9A1 GLN 199 HB3 0.03 -0.01 0.07 -0.04 2.02 2.06 3dw9A1 GLN 199 HG2 -0.01 0.11 0.01 -0.04 2.40 2.47 3dw9A1 GLN 199 HG3 -0.02 0.06 -0.26 -0.04 2.39 2.13 3dw9A1 GLN 199 HE21 -0.02 -0.07 0.06 -0.04 6.97 6.90 3dw9A1 GLN 199 HE22 -0.04 0.37 -0.09 -0.04 7.69 7.89 3dw9A1 ASN 200 H 0.15 0.02 -0.86 -0.55 8.53 7.29 3dw9A1 ASN 200 HA 0.07 0.20 0.77 -0.75 4.76 5.06 3dw9A1 ASN 200 HB2 0.06 -0.04 0.08 -0.04 2.88 2.93 3dw9A1 ASN 200 HB3 0.06 -0.01 -0.08 -0.04 2.79 2.72 3dw9A1 ASN 200 HD21 0.07 -0.01 -0.05 -0.04 7.03 7.00 3dw9A1 ASN 200 HD22 0.05 -0.04 -0.05 -0.04 7.74 7.67 3dw9A1 ASP 201 H 0.23 0.86 0.07 -0.55 8.40 9.01 3dw9A1 ASP 201 HA 0.07 0.03 0.63 -0.75 4.63 4.61 3dw9A1 ASP 201 HB2 0.46 0.28 0.19 -0.04 2.71 3.60 3dw9A1 ASP 201 HB3 0.03 -0.23 0.03 -0.04 2.70 2.49 3dw9A1 GLU 202 H -0.02 0.04 0.21 -0.55 8.60 8.28 3dw9A1 GLU 202 HA 0.05 0.27 0.25 -0.75 4.29 4.10 3dw9A1 GLU 202 HB2 -0.03 -0.03 0.01 -0.04 2.09 2.01 3dw9A1 GLU 202 HB3 0.00 0.05 0.03 -0.04 1.99 2.03 3dw9A1 GLU 202 HG2 0.02 0.06 0.08 -0.04 2.34 2.46 3dw9A1 GLU 202 HG3 -0.01 -0.04 0.10 -0.04 2.34 2.35 3dw9A1 MET 203 H -0.19 0.04 0.09 -0.55 8.47 7.86 3dw9A1 MET 203 HA -0.11 0.07 0.42 -0.75 4.52 4.15 3dw9A1 MET 203 HB2 -0.31 0.05 0.07 -0.04 2.15 1.93 3dw9A1 MET 203 HB3 -0.27 -0.03 0.13 -0.04 2.03 1.82 3dw9A1 MET 203 HG2 -0.66 -0.07 0.03 -0.04 2.63 1.89 3dw9A1 MET 203 HG3 -1.67 0.09 -0.16 -0.04 2.56 0.77 3dw9A1 MET 203 HE3 -0.91 0.02 -0.08 -0.04 2.10 1.08 3dw9A1 TRP 204 H -0.08 0.14 -0.55 -0.55 7.97 6.93 3dw9A1 TRP 204 HA -0.23 0.10 0.38 -0.75 4.62 4.12 3dw9A1 TRP 204 HB2 -0.04 0.14 -0.13 -0.04 3.23 3.16 3dw9A1 TRP 204 HB3 -0.13 0.08 0.05 -0.04 3.23 3.20 3dw9A1 TRP 204 HD1 0.02 0.17 -0.12 -0.04 7.22 7.24 3dw9A1 TRP 204 HE1 -0.19 -0.01 -0.04 -0.04 10.20 9.91 3dw9A1 TRP 204 HE3 -0.45 0.03 0.02 -0.04 7.59 7.14 3dw9A1 TRP 204 HZ2 -0.05 0.02 -0.07 -0.04 7.44 7.29 3dw9A1 TRP 204 HZ3 0.13 0.00 -0.05 -0.04 7.13 7.17 3dw9A1 TRP 204 HH2 0.15 0.08 -0.05 -0.04 7.19 7.33 3dw9A1 ARG 205 H 0.05 0.32 -0.41 -0.55 8.46 7.87 3dw9A1 ARG 205 HA 0.04 0.21 0.86 -0.75 4.34 4.69 3dw9A1 ARG 205 HB2 0.04 0.03 0.02 -0.04 1.90 1.95 3dw9A1 ARG 205 HB3 0.04 -0.05 0.10 -0.04 1.80 1.85 3dw9A1 ARG 205 HG2 0.11 0.04 -0.32 -0.04 1.67 1.46 3dw9A1 ARG 205 HG3 0.13 0.01 -0.11 -0.04 1.67 1.66 3dw9A1 ARG 205 HD2 0.04 0.00 -0.28 -0.04 3.22 2.94 3dw9A1 ARG 205 HD3 0.08 0.12 -0.12 -0.04 3.22 3.25 3dw9A1 GLU 206 H 0.03 0.19 -0.12 -0.55 8.60 8.15 3dw9A1 GLU 206 HA 0.02 0.06 0.69 -0.75 4.29 4.30 3dw9A1 GLU 206 HB2 0.06 0.05 0.16 -0.04 2.09 2.31 3dw9A1 GLU 206 HB3 0.04 0.02 -0.05 -0.04 1.99 1.96 3dw9A1 GLU 206 HG2 0.01 -0.01 -0.02 -0.04 2.34 2.28 3dw9A1 GLU 206 HG3 0.00 0.15 -0.03 -0.04 2.34 2.43 3dw9A1 GLU 207 H 0.00 0.16 0.16 -0.55 8.60 8.38 3dw9A1 GLU 207 HA 0.05 0.01 0.57 -0.75 4.29 4.16 3dw9A1 GLU 207 HB2 -0.03 -0.04 0.13 -0.04 2.09 2.11 3dw9A1 GLU 207 HB3 -0.13 0.08 0.07 -0.04 1.99 1.97 3dw9A1 GLU 207 HG2 -0.17 0.03 0.16 -0.04 2.34 2.32 3dw9A1 GLU 207 HG3 -0.05 0.05 0.08 -0.04 2.34 2.37 3dw9A1 ILE 208 H 0.11 0.08 0.18 -0.55 8.25 8.06 3dw9A1 ILE 208 HA 0.01 0.11 0.72 -0.75 4.18 4.26 3dw9A1 ILE 208 HB -0.07 -0.07 0.16 -0.04 1.89 1.87 3dw9A1 ILE 208 HG12 -0.02 0.00 0.10 -0.04 1.49 1.53 3dw9A1 ILE 208 HG13 -0.05 -0.03 -0.19 -0.04 1.21 0.91 3dw9A1 ILE 208 HG23 -0.05 0.03 0.03 -0.04 0.93 0.90 3dw9A1 ILE 208 HD13 -0.20 0.09 -0.03 -0.04 0.88 0.69 3dw9A1 ALA 209 H -0.01 0.09 0.16 -0.55 8.40 8.09 3dw9A1 ALA 209 HA 0.02 0.18 0.53 -0.75 4.34 4.32 3dw9A1 ALA 209 HB3 0.01 0.00 0.06 -0.04 1.41 1.43 3dw9A1 GLY 210 H -0.01 0.13 -0.01 -0.55 8.43 7.99 3dw9A1 GLY 210 HA2 0.05 0.11 0.05 -0.51 4.01 3.71 3dw9A1 GLY 210 HA3 0.04 0.47 0.15 -0.51 4.01 4.15 3dw9A1 LEU 211 H 0.09 0.69 -0.18 -0.55 8.37 8.42 3dw9A1 LEU 211 HA -0.04 0.10 0.68 -0.75 4.35 4.34 3dw9A1 LEU 211 HB2 0.12 0.08 -0.02 -0.04 1.64 1.78 3dw9A1 LEU 211 HB3 0.03 -0.08 0.02 -0.04 1.64 1.57 3dw9A1 LEU 211 HG -0.05 0.03 -0.22 -0.04 1.64 1.36 3dw9A1 LEU 211 HD13 -0.07 -0.01 -0.08 -0.04 0.93 0.73 3dw9A1 LEU 211 HD23 -0.11 0.01 -0.10 -0.04 0.89 0.65 3dw9A1 THR 212 H -0.01 0.18 -0.53 -0.55 8.28 7.38 3dw9A1 THR 212 HA 0.02 0.12 0.60 -0.75 4.39 4.38 3dw9A1 THR 212 HB -0.01 -0.01 0.07 -0.04 4.32 4.33 3dw9A1 THR 212 HG23 0.00 0.07 0.06 -0.04 1.22 1.31 3dw9A1 ARG 213 H 0.00 0.17 0.11 -0.55 8.46 8.19 3dw9A1 ARG 213 HA -0.01 0.06 0.33 -0.75 4.34 3.96 3dw9A1 ARG 213 HB2 -0.00 0.01 0.14 -0.04 1.90 2.00 3dw9A1 ARG 213 HB3 -0.01 0.04 -0.06 -0.04 1.80 1.72 3dw9A1 ARG 213 HG2 0.01 0.02 -0.01 -0.04 1.67 1.65 3dw9A1 ARG 213 HG3 0.00 0.03 -0.01 -0.04 1.67 1.66 3dw9A1 ARG 213 HD2 -0.00 0.02 -0.03 -0.04 3.22 3.16 3dw9A1 ARG 213 HD3 -0.01 0.02 -0.04 -0.04 3.22 3.15 3dw9A1 PRO 214 HA -0.05 0.10 0.44 -0.51 4.44 4.42 3dw9A1 PRO 214 HB2 -0.05 0.02 -0.02 -0.04 2.28 2.19 3dw9A1 PRO 214 HB3 -0.05 0.08 0.02 -0.04 2.02 2.03 3dw9A1 PRO 214 HG2 -0.03 0.07 0.02 -0.04 2.03 2.05 3dw9A1 PRO 214 HG3 -0.03 0.07 0.01 -0.04 2.03 2.04 3dw9A1 PRO 214 HD2 -0.02 0.02 -0.04 -0.04 3.68 3.59 3dw9A1 PRO 214 HD3 -0.02 0.11 0.02 -0.04 3.65 3.72 3dw9A1 ASN 215 H -0.07 0.21 -0.24 -0.55 8.53 7.89 3dw9A1 ASN 215 HA -0.18 0.10 0.62 -0.75 4.76 4.55 3dw9A1 ASN 215 HB2 -0.10 0.04 0.16 -0.04 2.88 2.95 3dw9A1 ASN 215 HB3 -0.19 0.05 0.11 -0.04 2.79 2.71 3dw9A1 ASN 215 HD21 -0.07 0.02 0.01 -0.04 7.03 6.95 3dw9A1 ASN 215 HD22 -0.15 0.04 0.05 -0.04 7.74 7.64 3dw9A1 GLN 216 H -0.09 0.54 -0.16 -0.55 8.47 8.21 3dw9A1 GLN 216 HA -0.13 0.05 0.49 -0.75 4.36 4.01 3dw9A1 GLN 216 HB2 -0.05 0.11 0.09 -0.04 2.15 2.26 3dw9A1 GLN 216 HB3 -0.05 -0.04 -0.05 -0.04 2.02 1.85 3dw9A1 GLN 216 HG2 -0.03 -0.04 -0.04 -0.04 2.40 2.25 3dw9A1 GLN 216 HG3 -0.03 0.08 -0.25 -0.04 2.39 2.15 3dw9A1 GLN 216 HE21 0.04 0.25 0.04 -0.04 6.97 7.25 3dw9A1 GLN 216 HE22 0.03 0.48 -0.33 -0.04 7.69 7.82 3dw9A1 ILE 217 H -0.08 0.50 -0.19 -0.55 8.25 7.93 3dw9A1 ILE 217 HA -0.06 0.01 0.37 -0.75 4.18 3.75 3dw9A1 ILE 217 HB -0.07 0.14 0.16 -0.04 1.89 2.08 3dw9A1 ILE 217 HG12 -0.03 -0.03 -0.00 -0.04 1.49 1.38 3dw9A1 ILE 217 HG13 -0.04 0.09 0.07 -0.04 1.21 1.29 3dw9A1 ILE 217 HG23 -0.05 -0.00 -0.16 -0.04 0.93 0.67 3dw9A1 ILE 217 HD13 -0.03 -0.02 -0.05 -0.04 0.88 0.74 3dw9A1 LEU 218 H -0.16 0.56 -0.05 -0.55 8.37 8.18 3dw9A1 LEU 218 HA -0.16 0.00 0.42 -0.75 4.35 3.85 3dw9A1 LEU 218 HB2 -0.17 0.01 0.17 -0.04 1.64 1.60 3dw9A1 LEU 218 HB3 -0.31 0.11 0.24 -0.04 1.64 1.63 3dw9A1 LEU 218 HG -0.42 0.04 -0.13 -0.04 1.64 1.10 3dw9A1 LEU 218 HD13 -0.16 -0.02 0.05 -0.04 0.93 0.77 3dw9A1 LEU 218 HD23 -0.12 -0.01 0.02 -0.04 0.89 0.74 3dw9A1 LEU 219 H -0.32 0.39 -0.47 -0.55 8.37 7.43 3dw9A1 LEU 219 HA -0.79 0.08 0.30 -0.75 4.35 3.19 3dw9A1 LEU 219 HB2 -0.37 0.08 0.21 -0.04 1.64 1.53 3dw9A1 LEU 219 HB3 -0.32 -0.05 -0.01 -0.04 1.64 1.22 3dw9A1 LEU 219 HG -1.51 0.02 0.04 -0.04 1.64 0.16 3dw9A1 LEU 219 HD13 -1.31 0.02 0.00 -0.04 0.93 -0.40 3dw9A1 LEU 219 HD23 -0.38 -0.02 -0.02 -0.04 0.89 0.43 3dw9A1 SER 220 H -0.12 0.66 0.10 -0.55 8.46 8.55 3dw9A1 SER 220 HA 0.02 0.15 0.55 -0.75 4.49 4.45 3dw9A1 SER 220 HB2 0.02 -0.06 0.06 -0.04 3.95 3.93 3dw9A1 SER 220 HB3 -0.04 -0.05 0.09 -0.04 3.93 3.89 3dw9A1 GLY 221 H -0.04 0.50 -0.29 -0.55 8.43 8.05 3dw9A1 GLY 221 HA2 -0.00 0.06 0.75 -0.51 4.01 4.31 3dw9A1 GLY 221 HA3 -0.06 0.06 0.30 -0.51 4.01 3.80 3dw9A1 ALA 222 H 0.06 0.38 -0.30 -0.55 8.40 7.99 3dw9A1 ALA 222 HA 0.13 0.01 0.22 -0.75 4.34 3.94 3dw9A1 ALA 222 HB3 0.47 0.04 0.14 -0.04 1.41 2.02 3dw9A1 TYR 223 H 0.31 0.22 -0.38 -0.55 8.29 7.89 3dw9A1 TYR 223 HA 0.11 0.04 0.18 -0.75 4.56 4.14 3dw9A1 TYR 223 HB2 -0.20 -0.02 -0.07 -0.04 3.06 2.73 3dw9A1 TYR 223 HB3 -0.15 0.06 -0.09 -0.04 2.98 2.77 3dw9A1 TYR 223 HD2 -0.01 0.02 -0.23 -0.04 7.15 6.89 3dw9A1 TYR 223 HE2 0.08 0.10 0.05 -0.04 6.85 7.03 3dw9A1 GLN 224 H -0.74 0.51 -0.38 -0.55 8.47 7.32 3dw9A1 GLN 224 HA -0.25 0.02 0.42 -0.75 4.36 3.79 3dw9A1 GLN 224 HB2 -0.25 0.16 0.13 -0.04 2.15 2.15 3dw9A1 GLN 224 HB3 -0.15 -0.05 0.03 -0.04 2.02 1.82 3dw9A1 GLN 224 HG2 -0.44 -0.04 0.04 -0.04 2.40 1.91 3dw9A1 GLN 224 HG3 -1.27 0.02 0.08 -0.04 2.39 1.18 3dw9A1 GLN 224 HE21 -0.01 -0.06 0.02 -0.04 6.97 6.88 3dw9A1 GLN 224 HE22 -0.05 0.03 0.07 -0.04 7.69 7.69 3dw9A1 ARG 225 H 0.06 0.47 -0.16 -0.55 8.46 8.27 3dw9A1 ARG 225 HA 0.15 -0.01 0.15 -0.75 4.34 3.88 3dw9A1 ARG 225 HB2 0.45 0.14 0.07 -0.04 1.90 2.53 3dw9A1 ARG 225 HB3 0.22 -0.06 0.06 -0.04 1.80 1.98 3dw9A1 ARG 225 HG2 -0.00 -0.06 0.00 -0.04 1.67 1.56 3dw9A1 ARG 225 HG3 0.03 0.01 0.04 -0.04 1.67 1.70 3dw9A1 ARG 225 HD2 0.13 0.09 0.05 -0.04 3.22 3.45 3dw9A1 ARG 225 HD3 -0.10 -0.06 0.00 -0.04 3.22 3.02 3dw9A1 LEU 226 H 0.19 0.23 -0.74 -0.55 8.37 7.50 3dw9A1 LEU 226 HA 0.21 0.15 0.61 -0.75 4.35 4.57 3dw9A1 LEU 226 HB2 0.18 0.02 -0.04 -0.04 1.64 1.77 3dw9A1 LEU 226 HB3 0.10 -0.05 -0.02 -0.04 1.64 1.63 3dw9A1 LEU 226 HG 0.25 0.03 -0.23 -0.04 1.64 1.65 3dw9A1 LEU 226 HD13 0.07 0.00 -0.17 -0.04 0.93 0.80 3dw9A1 LEU 226 HD23 -0.11 -0.01 -0.12 -0.04 0.89 0.61 3dw9A1 GLN 227 H 0.16 0.29 -0.06 -0.55 8.47 8.31 3dw9A1 GLN 227 HA 0.19 -0.01 0.55 -0.75 4.36 4.34 3dw9A1 GLN 227 HB2 0.14 0.03 0.18 -0.04 2.15 2.45 3dw9A1 GLN 227 HB3 0.15 0.03 0.05 -0.04 2.02 2.21 3dw9A1 GLN 227 HG2 0.44 -0.05 -0.10 -0.04 2.40 2.65 3dw9A1 GLN 227 HG3 0.29 0.22 0.06 -0.04 2.39 2.93 3dw9A1 GLN 227 HE21 0.33 -0.07 -0.03 -0.04 6.97 7.16 3dw9A1 GLN 227 HE22 0.37 -0.02 -0.07 -0.04 7.69 7.93 3dw9A1 GLY 228 H 0.10 0.26 0.03 -0.55 8.43 8.27 3dw9A1 GLY 228 HA2 0.04 0.20 0.13 -0.51 4.01 3.88 3dw9A1 GLY 228 HA3 0.05 0.01 0.55 -0.51 4.01 4.11 3dw9A1 ARG 229 H 0.05 0.54 -0.07 -0.55 8.46 8.43 3dw9A1 ARG 229 HA -0.03 0.11 0.88 -0.75 4.34 4.54 3dw9A1 ARG 229 HB2 -0.03 0.24 0.03 -0.04 1.90 2.10 3dw9A1 ARG 229 HB3 -0.16 -0.16 0.12 -0.04 1.80 1.56 3dw9A1 ARG 229 HG2 -0.08 -0.12 -0.10 -0.04 1.67 1.32 3dw9A1 ARG 229 HG3 0.01 0.09 -0.45 -0.04 1.67 1.28 3dw9A1 ARG 229 HD2 0.07 0.09 0.07 -0.04 3.22 3.41 3dw9A1 ARG 229 HD3 -0.39 -0.16 -0.00 -0.04 3.22 2.63 3dw9A1 VAL 230 H 0.03 0.40 0.07 -0.55 8.24 8.19 3dw9A1 VAL 230 HA -0.02 0.18 0.67 -0.75 4.13 4.20 3dw9A1 VAL 230 HB 0.07 -0.07 -0.17 -0.04 2.12 1.90 3dw9A1 VAL 230 HG13 0.01 0.08 -0.20 -0.04 0.97 0.82 3dw9A1 VAL 230 HG23 0.03 0.05 -0.10 -0.04 0.95 0.89 3dw9A1 GLN 231 H -0.01 0.19 0.17 -0.55 8.47 8.27 3dw9A1 GLN 231 HA 0.01 0.10 0.78 -0.75 4.36 4.49 3dw9A1 GLN 231 HB2 -0.01 -0.01 0.05 -0.04 2.15 2.14 3dw9A1 GLN 231 HB3 -0.00 0.03 0.13 -0.04 2.02 2.13 3dw9A1 GLN 231 HG2 -0.02 0.04 0.07 -0.04 2.40 2.45 3dw9A1 GLN 231 HG3 -0.01 0.04 0.05 -0.04 2.39 2.43 3dw9A1 GLN 231 HE21 -0.01 -0.05 -0.00 -0.04 6.97 6.87 3dw9A1 GLN 231 HE22 -0.02 0.06 -0.02 -0.04 7.69 7.66 3dw9A1 PRO 232 HA 0.05 0.06 0.37 -0.51 4.44 4.41 3dw9A1 PRO 232 HB2 0.01 0.09 0.13 -0.04 2.28 2.47 3dw9A1 PRO 232 HB3 0.03 0.06 0.13 -0.04 2.02 2.20 3dw9A1 PRO 232 HG2 0.02 0.14 0.17 -0.04 2.03 2.32 3dw9A1 PRO 232 HG3 0.05 -0.00 0.15 -0.04 2.03 2.18 3dw9A1 PRO 232 HD2 0.01 0.12 0.27 -0.04 3.68 4.04 3dw9A1 PRO 232 HD3 0.03 0.10 0.29 -0.04 3.65 4.03 3dw9A1 GLY 233 H -0.00 0.11 -0.08 -0.55 8.43 7.91 3dw9A1 GLY 233 HA2 -0.02 0.19 0.55 -0.51 4.01 4.22 3dw9A1 GLY 233 HA3 -0.01 0.04 0.33 -0.51 4.01 3.85 3dw9A1 GLU 234 H -0.00 0.38 -0.66 -0.55 8.60 7.76 3dw9A1 GLU 234 HA -0.02 0.23 0.77 -0.75 4.29 4.52 3dw9A1 GLU 234 HB2 -0.01 0.02 0.10 -0.04 2.09 2.15 3dw9A1 GLU 234 HB3 -0.03 -0.06 0.21 -0.04 1.99 2.07 3dw9A1 GLU 234 HG2 -0.02 0.10 0.02 -0.04 2.34 2.39 3dw9A1 GLU 234 HG3 -0.02 -0.09 -0.10 -0.04 2.34 2.10 3dw9A1 ILE 235 H -0.02 0.30 -0.18 -0.55 8.25 7.81 3dw9A1 ILE 235 HA -0.03 0.04 0.77 -0.75 4.18 4.21 3dw9A1 ILE 235 HB -0.08 0.09 0.14 -0.04 1.89 2.00 3dw9A1 ILE 235 HG12 0.03 -0.02 -0.06 -0.04 1.49 1.41 3dw9A1 ILE 235 HG13 0.02 0.09 -0.03 -0.04 1.21 1.26 3dw9A1 ILE 235 HG23 -0.15 -0.03 -0.15 -0.04 0.93 0.57 3dw9A1 ILE 235 HD13 0.07 -0.03 -0.06 -0.04 0.88 0.81 3dw9A1 SER 236 H -0.02 0.41 0.18 -0.55 8.46 8.49 3dw9A1 SER 236 HA 0.03 0.17 0.28 -0.75 4.49 4.21 3dw9A1 SER 236 HB2 0.09 -0.08 -0.03 -0.04 3.95 3.88 3dw9A1 SER 236 HB3 0.11 -0.01 -0.08 -0.04 3.93 3.90 3dw9A1 LEU 237 H -0.03 0.29 0.22 -0.55 8.37 8.30 3dw9A1 LEU 237 HA -0.17 0.28 0.91 -0.75 4.35 4.61 3dw9A1 LEU 237 HB2 -0.30 0.03 -0.10 -0.04 1.64 1.22 3dw9A1 LEU 237 HB3 -0.23 -0.14 0.00 -0.04 1.64 1.23 3dw9A1 LEU 237 HG -0.43 -0.02 -0.42 -0.04 1.64 0.72 3dw9A1 LEU 237 HD13 -0.64 0.04 -0.09 -0.04 0.93 0.20 3dw9A1 LEU 237 HD23 -0.63 -0.02 -0.17 -0.04 0.89 0.03 3dw9A1 ALA 238 H -0.34 0.82 0.37 -0.55 8.40 8.70 3dw9A1 ALA 238 HA -0.48 0.26 1.01 -0.75 4.34 4.38 3dw9A1 ALA 238 HB3 -1.00 -0.02 0.11 -0.04 1.41 0.46 3dw9A1 VAL 239 H -0.54 0.59 0.24 -0.55 8.24 7.98 3dw9A1 VAL 239 HA -0.52 0.35 1.02 -0.75 4.13 4.22 3dw9A1 VAL 239 HB -0.73 -0.06 -0.04 -0.04 2.12 1.25 3dw9A1 VAL 239 HG13 -1.47 -0.03 -0.26 -0.04 0.97 -0.83 3dw9A1 VAL 239 HG23 -0.51 0.01 -0.31 -0.04 0.95 0.10 3dw9A1 ALA 240 H -0.22 0.75 0.39 -0.55 8.40 8.77 3dw9A1 ALA 240 HA -0.17 -0.01 0.80 -0.75 4.34 4.20 3dw9A1 ALA 240 HB3 0.11 0.01 0.10 -0.04 1.41 1.59 3dw9A1 PHE 241 H -0.15 0.14 0.08 -0.55 8.34 7.86 3dw9A1 PHE 241 HA 0.08 0.24 0.93 -0.75 4.62 5.12 3dw9A1 PHE 241 HB2 -0.11 -0.01 0.08 -0.04 3.15 3.07 3dw9A1 PHE 241 HB3 -0.41 -0.01 -0.07 -0.04 3.06 2.53 3dw9A1 PHE 241 HD2 -0.35 0.01 -0.04 -0.04 7.28 6.85 3dw9A1 PHE 241 HE2 -0.24 0.03 -0.15 -0.04 7.38 6.98 3dw9A1 PHE 241 HZ -0.31 0.04 -0.21 -0.04 7.32 6.79 3dw9A1 LYS 242 H 0.50 0.70 0.16 -0.55 8.42 9.22 3dw9A1 LYS 242 HA 0.21 0.05 0.57 -0.75 4.32 4.39 3dw9A1 LYS 242 HB2 0.13 0.00 0.03 -0.04 1.87 2.00 3dw9A1 LYS 242 HB3 0.09 0.12 0.04 -0.04 1.79 2.00 3dw9A1 LYS 242 HG2 0.11 0.03 0.10 -0.04 1.46 1.67 3dw9A1 LYS 242 HG3 0.12 -0.06 -0.52 -0.04 1.46 0.96 3dw9A1 LYS 242 HD2 0.09 -0.06 -0.04 -0.04 1.69 1.64 3dw9A1 LYS 242 HD3 0.07 0.02 0.08 -0.04 1.68 1.80 3dw9A1 LYS 242 HE2 0.07 -0.08 -0.06 -0.04 2.99 2.89 3dw9A1 LYS 242 HE3 0.07 0.03 0.01 -0.04 2.99 3.06 3dw9A1 ARG 243 H 0.16 0.15 0.10 -0.55 8.46 8.32 3dw9A1 ARG 243 HA -0.78 -0.01 0.27 -0.75 4.34 3.07 3dw9A1 ARG 243 HB2 -0.04 0.03 0.10 -0.04 1.90 1.96 3dw9A1 ARG 243 HB3 -0.10 0.00 0.01 -0.04 1.80 1.68 3dw9A1 ARG 243 HG2 -0.44 -0.05 0.04 -0.04 1.67 1.17 3dw9A1 ARG 243 HG3 -0.54 0.03 0.01 -0.04 1.67 1.12 3dw9A1 ARG 243 HD2 -0.14 0.01 -0.07 -0.04 3.22 2.98 3dw9A1 ARG 243 HD3 -0.07 0.00 -0.16 -0.04 3.22 2.95 3dw9A1 SER 244 H -0.02 0.16 -0.09 -0.55 8.46 7.97 3dw9A1 SER 244 HA -0.06 0.12 0.80 -0.75 4.49 4.59 3dw9A1 SER 244 HB2 -0.03 0.12 0.06 -0.04 3.95 4.06 3dw9A1 SER 244 HB3 -0.05 -0.01 -0.01 -0.04 3.93 3.81 3dw9A1 LEU 245 H -0.02 0.67 0.28 -0.55 8.37 8.75 3dw9A1 LEU 245 HA -0.00 0.17 0.93 -0.75 4.35 4.70 3dw9A1 LEU 245 HB2 -0.05 0.05 0.01 -0.04 1.64 1.62 3dw9A1 LEU 245 HB3 -0.06 0.01 -0.09 -0.04 1.64 1.46 3dw9A1 LEU 245 HG -0.03 -0.06 -0.26 -0.04 1.64 1.25 3dw9A1 LEU 245 HD13 -0.11 -0.00 -0.12 -0.04 0.93 0.66 3dw9A1 LEU 245 HD23 0.03 0.06 -0.25 -0.04 0.89 0.69 3dw9A1 ARG 246 H -0.00 0.19 0.12 -0.55 8.46 8.21 3dw9A1 ARG 246 HA -0.01 0.23 0.36 -0.75 4.34 4.17 3dw9A1 ARG 246 HB2 0.01 -0.09 0.01 -0.04 1.90 1.80 3dw9A1 ARG 246 HB3 0.01 -0.04 0.06 -0.04 1.80 1.79 3dw9A1 ARG 246 HG2 0.00 0.01 -0.31 -0.04 1.67 1.33 3dw9A1 ARG 246 HG3 0.01 0.01 -0.04 -0.04 1.67 1.61 3dw9A1 ARG 246 HD2 0.00 -0.03 0.05 -0.04 3.22 3.20 3dw9A1 ARG 246 HD3 -0.00 0.14 0.16 -0.04 3.22 3.47 3dw9A1 SER 247 H -0.00 0.21 0.09 -0.55 8.46 8.22 3dw9A1 SER 247 HA -0.04 0.09 0.14 -0.75 4.49 3.93 3dw9A1 SER 247 HB2 0.04 0.07 0.08 -0.04 3.95 4.09 3dw9A1 SER 247 HB3 -0.00 0.02 0.11 -0.04 3.93 4.02 3dw9A1 ASP 248 H 0.04 0.04 -0.27 -0.55 8.40 7.66 3dw9A1 ASP 248 HA 0.18 0.17 0.44 -0.75 4.63 4.67 3dw9A1 ASP 248 HB2 0.06 0.05 0.10 -0.04 2.71 2.88 3dw9A1 ASP 248 HB3 0.05 0.02 0.06 -0.04 2.70 2.79 3dw9A1 ARG 249 H 0.03 0.42 -0.24 -0.55 8.46 8.12 3dw9A1 ARG 249 HA 0.07 0.13 0.50 -0.75 4.34 4.29 3dw9A1 ARG 249 HB2 0.02 -0.12 0.16 -0.04 1.90 1.91 3dw9A1 ARG 249 HB3 0.04 0.06 0.21 -0.04 1.80 2.07 3dw9A1 ARG 249 HG2 0.04 0.06 -0.09 -0.04 1.67 1.64 3dw9A1 ARG 249 HG3 0.03 -0.09 -0.04 -0.04 1.67 1.53 3dw9A1 ARG 249 HD2 0.04 0.05 0.03 -0.04 3.22 3.30 3dw9A1 ARG 249 HD3 0.03 0.02 -0.02 -0.04 3.22 3.21 3dw9A1 LEU 250 H -0.03 0.26 -0.50 -0.55 8.37 7.56 3dw9A1 LEU 250 HA -0.05 0.18 0.76 -0.75 4.35 4.48 3dw9A1 LEU 250 HB2 -0.89 0.12 0.04 -0.04 1.64 0.87 3dw9A1 LEU 250 HB3 -0.73 -0.00 0.02 -0.04 1.64 0.88 3dw9A1 LEU 250 HG -0.19 0.07 -0.15 -0.04 1.64 1.32 3dw9A1 LEU 250 HD13 -0.46 -0.01 -0.06 -0.04 0.93 0.35 3dw9A1 LEU 250 HD23 -0.20 -0.00 -0.17 -0.04 0.89 0.47 3dw9A1 TYR 251 H 0.13 0.16 -0.07 -0.55 8.29 7.95 3dw9A1 TYR 251 HA 0.08 0.12 -0.01 -0.75 4.56 4.00 3dw9A1 TYR 251 HB2 0.02 0.08 0.11 -0.04 3.06 3.22 3dw9A1 TYR 251 HB3 0.04 0.02 0.03 -0.04 2.98 3.03 3dw9A1 TYR 251 HD2 0.02 0.05 0.02 -0.04 7.15 7.19 3dw9A1 TYR 251 HE2 -0.02 0.11 0.03 -0.04 6.85 6.94 3dw9A1 GLN 252 H 0.12 0.12 -0.04 -0.55 8.47 8.13 3dw9A1 GLN 252 HA 0.14 0.08 0.37 -0.75 4.36 4.20 3dw9A1 GLN 252 HB2 0.09 -0.00 0.09 -0.04 2.15 2.29 3dw9A1 GLN 252 HB3 0.09 0.07 0.05 -0.04 2.02 2.19 3dw9A1 GLN 252 HG2 0.13 -0.04 0.06 -0.04 2.40 2.51 3dw9A1 GLN 252 HG3 0.10 0.03 0.01 -0.04 2.39 2.49 3dw9A1 GLN 252 HE21 0.19 0.23 0.02 -0.04 6.97 7.37 3dw9A1 GLN 252 HE22 0.17 -0.11 0.02 -0.04 7.69 7.73 3dw9A1 PRO 253 HA -0.22 0.09 0.54 -0.51 4.44 4.34 3dw9A1 PRO 253 HB2 -0.29 0.10 -0.08 -0.04 2.28 1.96 3dw9A1 PRO 253 HB3 -0.27 0.04 -0.04 -0.04 2.02 1.71 3dw9A1 PRO 253 HG2 -0.00 0.10 -0.03 -0.04 2.03 2.06 3dw9A1 PRO 253 HG3 0.04 0.02 -0.01 -0.04 2.03 2.04 3dw9A1 PRO 253 HD2 0.05 0.21 -0.26 -0.04 3.68 3.63 3dw9A1 PRO 253 HD3 0.06 0.07 -0.02 -0.04 3.65 3.71 3dw9A1 LEU 254 H -0.03 0.27 -0.20 -0.55 8.37 7.86 3dw9A1 LEU 254 HA -0.20 0.07 0.40 -0.75 4.35 3.87 3dw9A1 LEU 254 HB2 0.15 0.06 0.04 -0.04 1.64 1.85 3dw9A1 LEU 254 HB3 0.13 0.04 0.05 -0.04 1.64 1.83 3dw9A1 LEU 254 HG 0.09 -0.03 -0.12 -0.04 1.64 1.54 3dw9A1 LEU 254 HD13 0.05 0.00 0.01 -0.04 0.93 0.95 3dw9A1 LEU 254 HD23 0.14 0.00 -0.04 -0.04 0.89 0.95 3dw9A1 TYR 255 H 0.16 0.59 -0.19 -0.55 8.29 8.30 3dw9A1 TYR 255 HA 0.03 0.04 0.37 -0.75 4.56 4.25 3dw9A1 TYR 255 HB2 0.08 -0.00 0.08 -0.04 3.06 3.17 3dw9A1 TYR 255 HB3 0.06 0.03 0.14 -0.04 2.98 3.16 3dw9A1 TYR 255 HD2 0.06 -0.01 -0.10 -0.04 7.15 7.06 3dw9A1 TYR 255 HE2 0.06 0.05 -0.04 -0.04 6.85 6.87 3dw9A1 GLU 256 H 0.08 0.63 -0.05 -0.55 8.60 8.71 3dw9A1 GLU 256 HA 0.05 0.01 0.35 -0.75 4.29 3.94 3dw9A1 GLU 256 HB2 0.19 0.09 0.11 -0.04 2.09 2.44 3dw9A1 GLU 256 HB3 0.11 0.05 0.01 -0.04 1.99 2.12 3dw9A1 GLU 256 HG2 0.31 -0.01 -0.29 -0.04 2.34 2.31 3dw9A1 GLU 256 HG3 0.25 0.01 -0.16 -0.04 2.34 2.41 3dw9A1 ALA 257 H -0.40 0.68 -0.29 -0.55 8.40 7.84 3dw9A1 ALA 257 HA -0.04 0.00 0.41 -0.75 4.34 3.96 3dw9A1 ALA 257 HB3 -0.56 0.05 0.02 -0.04 1.41 0.88 3dw9A1 ASN 258 H -0.18 0.49 -0.28 -0.55 8.53 8.01 3dw9A1 ASN 258 HA -0.06 -0.05 0.42 -0.75 4.76 4.31 3dw9A1 ASN 258 HB2 -0.23 0.27 0.26 -0.04 2.88 3.14 3dw9A1 ASN 258 HB3 -0.11 -0.11 0.09 -0.04 2.79 2.62 3dw9A1 ASN 258 HD21 -0.01 -0.08 0.03 -0.04 7.03 6.93 3dw9A1 ASN 258 HD22 -0.05 0.74 0.14 -0.04 7.74 8.53 3dw9A1 VAL 259 H -0.18 0.38 -0.32 -0.55 8.24 7.56 3dw9A1 VAL 259 HA -0.05 0.03 0.46 -0.75 4.13 3.82 3dw9A1 VAL 259 HB 0.02 0.04 0.17 -0.04 2.12 2.32 3dw9A1 VAL 259 HG13 0.19 0.02 -0.10 -0.04 0.97 1.04 3dw9A1 VAL 259 HG23 -0.40 0.04 -0.01 -0.04 0.95 0.55 3dw9A1 MET 260 H 0.01 0.66 0.05 -0.55 8.47 8.64 3dw9A1 MET 260 HA -0.05 -0.03 0.39 -0.75 4.52 4.07 3dw9A1 MET 260 HB2 -0.15 0.16 0.15 -0.04 2.15 2.26 3dw9A1 MET 260 HB3 -0.46 0.01 0.00 -0.04 2.03 1.54 3dw9A1 MET 260 HG2 -1.57 -0.08 0.00 -0.04 2.63 0.94 3dw9A1 MET 260 HG3 -0.18 0.21 0.05 -0.04 2.56 2.61 3dw9A1 MET 260 HE3 -0.90 0.01 -0.06 -0.04 2.10 1.10 3dw9A1 GLN 261 H -0.05 0.50 -0.35 -0.55 8.47 8.02 3dw9A1 GLN 261 HA -0.04 0.05 0.56 -0.75 4.36 4.17 3dw9A1 GLN 261 HB2 0.04 0.03 0.17 -0.04 2.15 2.34 3dw9A1 GLN 261 HB3 0.18 -0.07 0.03 -0.04 2.02 2.12 3dw9A1 GLN 261 HG2 0.15 -0.07 0.09 -0.04 2.40 2.53 3dw9A1 GLN 261 HG3 0.01 0.05 0.06 -0.04 2.39 2.47 3dw9A1 GLN 261 HE21 0.01 0.25 0.29 -0.04 6.97 7.49 3dw9A1 GLN 261 HE22 0.17 0.14 0.15 -0.04 7.69 8.10 3dw9A1 LEU 262 H -0.12 0.58 0.04 -0.55 8.37 8.32 3dw9A1 LEU 262 HA -1.07 -0.05 0.39 -0.75 4.35 2.86 3dw9A1 LEU 262 HB2 -0.06 0.00 0.22 -0.04 1.64 1.76 3dw9A1 LEU 262 HB3 -0.09 0.12 0.21 -0.04 1.64 1.84 3dw9A1 LEU 262 HG -0.19 -0.04 0.06 -0.04 1.64 1.43 3dw9A1 LEU 262 HD13 0.10 -0.01 0.01 -0.04 0.93 0.98 3dw9A1 LEU 262 HD23 -0.25 0.00 -0.25 -0.04 0.89 0.36 3dw9A1 LEU 263 H -0.06 0.53 -0.34 -0.55 8.37 7.95 3dw9A1 LEU 263 HA -0.18 0.06 0.26 -0.75 4.35 3.74 3dw9A1 LEU 263 HB2 0.30 0.05 0.06 -0.04 1.64 2.01 3dw9A1 LEU 263 HB3 0.14 -0.04 -0.08 -0.04 1.64 1.62 3dw9A1 LEU 263 HG 0.07 0.07 -0.02 -0.04 1.64 1.72 3dw9A1 LEU 263 HD13 0.17 -0.01 -0.10 -0.04 0.93 0.95 3dw9A1 LEU 263 HD23 -0.03 -0.01 -0.09 -0.04 0.89 0.72 3dw9A1 LEU 264 H -0.02 0.75 0.11 -0.55 8.37 8.66 3dw9A1 LEU 264 HA 0.02 0.02 0.54 -0.75 4.35 4.18 3dw9A1 LEU 264 HB2 -0.08 0.12 0.14 -0.04 1.64 1.77 3dw9A1 LEU 264 HB3 -0.04 0.05 -0.02 -0.04 1.64 1.59 3dw9A1 LEU 264 HG 0.07 -0.09 0.07 -0.04 1.64 1.64 3dw9A1 LEU 264 HD13 -0.37 0.00 0.01 -0.04 0.93 0.53 3dw9A1 LEU 264 HD23 0.14 0.01 0.04 -0.04 0.89 1.04 3dw9A1 GLU 265 H -0.12 0.36 0.02 -0.55 8.60 8.31 3dw9A1 GLU 265 HA -0.02 0.29 0.59 -0.75 4.29 4.40 3dw9A1 GLU 265 HB2 -0.06 0.12 0.18 -0.04 2.09 2.28 3dw9A1 GLU 265 HB3 0.13 -0.02 -0.04 -0.04 1.99 2.03 3dw9A1 GLU 265 HG2 0.02 0.27 -0.30 -0.04 2.34 2.29 3dw9A1 GLU 265 HG3 0.01 -0.07 -0.03 -0.04 2.34 2.21 3dw9A1 GLY 266 H -0.54 0.39 0.02 -0.55 8.43 7.75 3dw9A1 GLY 266 HA2 0.03 0.02 0.18 -0.51 4.01 3.72 3dw9A1 GLY 266 HA3 -0.51 -0.00 0.33 -0.51 4.01 3.31 3dw9A1 LYS 267 H -0.20 0.19 -0.21 -0.55 8.42 7.64 3dw9A1 LYS 267 HA -0.13 0.19 1.06 -0.75 4.32 4.69 3dw9A1 LYS 267 HB2 -0.20 0.13 0.14 -0.04 1.87 1.90 3dw9A1 LYS 267 HB3 -0.17 -0.07 0.06 -0.04 1.79 1.56 3dw9A1 LYS 267 HG2 -0.50 0.06 -0.13 -0.04 1.46 0.85 3dw9A1 LYS 267 HG3 -0.86 -0.08 -0.04 -0.04 1.46 0.44 3dw9A1 LYS 267 HD2 -0.39 -0.05 0.00 -0.04 1.69 1.21 3dw9A1 LYS 267 HD3 -0.22 0.16 -0.01 -0.04 1.68 1.57 3dw9A1 LYS 267 HE2 -0.23 0.03 -0.12 -0.04 2.99 2.63 3dw9A1 LYS 267 HE3 -0.78 -0.05 -0.09 -0.04 2.99 2.04 3dw9A1 LEU 268 H -0.07 0.16 -0.24 -0.55 8.37 7.67 3dw9A1 LEU 268 HA -0.02 0.15 0.92 -0.75 4.35 4.65 3dw9A1 LEU 268 HB2 -0.00 0.10 0.23 -0.04 1.64 1.94 3dw9A1 LEU 268 HB3 0.01 -0.12 0.24 -0.04 1.64 1.73 3dw9A1 LEU 268 HG -0.01 0.12 -0.10 -0.04 1.64 1.62 3dw9A1 LEU 268 HD13 0.07 -0.04 -0.00 -0.04 0.93 0.91 3dw9A1 LEU 268 HD23 0.00 0.03 0.03 -0.04 0.89 0.91 3dw9A1 GLY 269 H -0.03 0.22 -0.18 -0.55 8.43 7.89 3dw9A1 GLY 269 HA2 0.00 0.10 0.34 -0.51 4.01 3.94 3dw9A1 GLY 269 HA3 -0.00 -0.09 0.31 -0.51 4.01 3.71 3dw9A1 ALA 270 H -0.02 0.53 -0.13 -0.55 8.40 8.24 3dw9A1 ALA 270 HA -0.01 0.01 0.54 -0.75 4.34 4.13 3dw9A1 ALA 270 HB3 -0.02 -0.06 -0.16 -0.04 1.41 1.14 3dw9A1 PRO 271 HA -0.03 0.09 0.56 -0.51 4.44 4.55 3dw9A1 PRO 271 HB2 -0.04 -0.01 0.11 -0.04 2.28 2.30 3dw9A1 PRO 271 HB3 -0.03 0.00 0.13 -0.04 2.02 2.08 3dw9A1 PRO 271 HG2 -0.03 0.14 -0.08 -0.04 2.03 2.03 3dw9A1 PRO 271 HG3 -0.02 0.06 0.08 -0.04 2.03 2.11 3dw9A1 PRO 271 HD2 -0.02 0.01 0.22 -0.04 3.68 3.84 3dw9A1 PRO 271 HD3 -0.02 0.11 0.19 -0.04 3.65 3.89 3dw9A1 LYS 272 H -0.09 0.07 0.08 -0.55 8.42 7.92 3dw9A1 LYS 272 HA -0.21 -0.04 0.26 -0.75 4.32 3.58 3dw9A1 LYS 272 HB2 -0.19 -0.03 0.12 -0.04 1.87 1.73 3dw9A1 LYS 272 HB3 -0.08 0.01 -0.01 -0.04 1.79 1.67 3dw9A1 LYS 272 HG2 -0.12 0.14 -0.13 -0.04 1.46 1.31 3dw9A1 LYS 272 HG3 -1.24 -0.05 0.01 -0.04 1.46 0.14 3dw9A1 LYS 272 HD2 -0.02 -0.05 -0.01 -0.04 1.69 1.57 3dw9A1 LYS 272 HD3 -0.16 -0.00 -0.01 -0.04 1.68 1.47 3dw9A1 LYS 272 HE2 -0.01 0.00 -0.03 -0.04 2.99 2.92 3dw9A1 LYS 272 HE3 0.03 0.03 -0.11 -0.04 2.99 2.89 3dw9A1 VAL 273 H 0.05 0.01 0.14 -0.55 8.24 7.89 3dw9A1 VAL 273 HA -0.03 0.23 0.74 -0.75 4.13 4.32 3dw9A1 VAL 273 HB 0.01 -0.09 0.07 -0.04 2.12 2.07 3dw9A1 VAL 273 HG13 -0.13 0.00 -0.16 -0.04 0.97 0.65 3dw9A1 VAL 273 HG23 -0.06 0.03 -0.08 -0.04 0.95 0.80 3dw9A1 GLU 274 H -0.00 0.39 0.16 -0.55 8.60 8.60 3dw9A1 GLU 274 HA 0.05 0.07 0.71 -0.75 4.29 4.37 3dw9A1 GLU 274 HB2 0.02 0.20 0.37 -0.04 2.09 2.63 3dw9A1 GLU 274 HB3 -0.04 -0.12 0.03 -0.04 1.99 1.82 3dw9A1 GLU 274 HG2 0.13 0.18 0.06 -0.04 2.34 2.68 3dw9A1 GLU 274 HG3 0.48 -0.02 0.04 -0.04 2.34 2.79 3dw9A1 PHE 275 H 0.08 0.22 0.25 -0.55 8.34 8.34 3dw9A1 PHE 275 HA -0.19 0.27 1.00 -0.75 4.62 4.94 3dw9A1 PHE 275 HB2 -0.15 0.04 -0.16 -0.04 3.15 2.84 3dw9A1 PHE 275 HB3 -0.14 0.03 0.14 -0.04 3.06 3.05 3dw9A1 PHE 275 HD2 -0.21 0.05 -0.25 -0.04 7.28 6.83 3dw9A1 PHE 275 HE2 -0.17 -0.06 -0.19 -0.04 7.38 6.91 3dw9A1 PHE 275 HZ -0.10 -0.07 -0.04 -0.04 7.32 7.07 3dw9A1 GLU 276 H -0.14 0.75 0.41 -0.55 8.60 9.07 3dw9A1 GLU 276 HA -0.01 0.17 1.14 -0.75 4.29 4.83 3dw9A1 GLU 276 HB2 0.02 0.13 0.09 -0.04 2.09 2.29 3dw9A1 GLU 276 HB3 -0.06 -0.03 -0.14 -0.04 1.99 1.72 3dw9A1 GLU 276 HG2 -0.25 0.10 -0.01 -0.04 2.34 2.14 3dw9A1 GLU 276 HG3 -0.12 -0.08 -0.23 -0.04 2.34 1.87 3dw9A1 VAL 277 H -0.04 0.66 0.39 -0.55 8.24 8.71 3dw9A1 VAL 277 HA -0.07 0.22 1.01 -0.75 4.13 4.55 3dw9A1 VAL 277 HB -0.23 -0.02 0.13 -0.04 2.12 1.95 3dw9A1 VAL 277 HG13 0.06 -0.01 -0.18 -0.04 0.97 0.79 3dw9A1 VAL 277 HG23 -0.45 -0.01 -0.17 -0.04 0.95 0.27 3dw9A1 HIS 278 H 0.05 0.69 0.40 -0.55 8.41 9.00 3dw9A1 HIS 278 HA 0.16 0.23 1.03 -0.75 4.63 5.29 3dw9A1 HIS 278 HB2 0.15 -0.07 0.17 -0.04 3.26 3.46 3dw9A1 HIS 278 HB3 0.45 0.02 -0.04 -0.04 3.20 3.58 3dw9A1 HIS 278 HD2 0.04 -0.02 -0.57 -0.04 6.97 6.38 3dw9A1 HIS 278 HE1 0.10 0.02 -0.13 -0.04 7.75 7.70 3dw9A1 THR 279 H 0.11 0.71 0.28 -0.55 8.28 8.83 3dw9A1 THR 279 HA 0.15 0.25 0.59 -0.75 4.39 4.63 3dw9A1 THR 279 HB 0.07 0.05 -0.20 -0.04 4.32 4.19 3dw9A1 THR 279 HG23 -0.03 -0.02 -0.27 -0.04 1.22 0.87 3dw9A1 LEU 280 H -0.31 0.45 0.22 -0.55 8.37 8.19 3dw9A1 LEU 280 HA -0.11 0.21 0.94 -0.75 4.35 4.64 3dw9A1 LEU 280 HB2 -0.33 0.13 0.14 -0.04 1.64 1.55 3dw9A1 LEU 280 HB3 -0.17 -0.10 0.17 -0.04 1.64 1.51 3dw9A1 LEU 280 HG -1.00 -0.02 -0.07 -0.04 1.64 0.50 3dw9A1 LEU 280 HD13 -0.46 -0.04 -0.08 -0.04 0.93 0.31 3dw9A1 LEU 280 HD23 -0.04 0.01 -0.03 -0.04 0.89 0.79 3dw9A1 ALA 281 H -0.07 0.10 -0.15 -0.55 8.40 7.73 3dw9A1 ALA 281 HA -0.02 0.13 0.78 -0.75 4.34 4.48 3dw9A1 ALA 281 HB3 -0.05 0.01 0.06 -0.04 1.41 1.39 3dw9A1 PRO 282 HA -0.04 0.08 0.62 -0.51 4.44 4.58 3dw9A1 PRO 282 HB2 0.04 0.10 -0.07 -0.04 2.28 2.31 3dw9A1 PRO 282 HB3 -0.15 0.03 -0.05 -0.04 2.02 1.81 3dw9A1 PRO 282 HG2 0.17 0.07 -0.00 -0.04 2.03 2.22 3dw9A1 PRO 282 HG3 0.12 0.10 -0.08 -0.04 2.03 2.12 3dw9A1 PRO 282 HD2 0.03 0.11 0.11 -0.04 3.68 3.89 3dw9A1 PRO 282 HD3 0.01 0.18 -0.26 -0.04 3.65 3.54 3dw9A1 GLU 283 H 0.03 0.08 -0.07 -0.55 8.60 8.10 3dw9A1 GLU 283 HA 0.02 -0.02 0.32 -0.75 4.29 3.85 3dw9A1 GLU 283 HB2 -0.01 0.13 -0.21 -0.04 2.09 1.96 3dw9A1 GLU 283 HB3 0.00 -0.04 0.09 -0.04 1.99 1.99 3dw9A1 GLU 283 HG2 -0.01 0.00 -0.34 -0.04 2.34 1.95 3dw9A1 GLU 283 HG3 -0.01 0.16 -0.00 -0.04 2.34 2.45 3dw9A1 GLY 284 H 0.05 0.08 0.09 -0.55 8.43 8.10 3dw9A1 GLY 284 HA2 0.04 0.06 0.33 -0.51 4.01 3.93 3dw9A1 GLY 284 HA3 0.04 0.12 0.85 -0.51 4.01 4.51 3dw9A1 THR 285 H 0.07 0.16 0.14 -0.55 8.28 8.09 3dw9A1 THR 285 HA 0.37 0.23 0.80 -0.75 4.39 5.03 3dw9A1 THR 285 HB 0.08 0.03 0.10 -0.04 4.32 4.49 3dw9A1 THR 285 HG23 -0.05 0.03 -0.04 -0.04 1.22 1.12 3dw9A1 ASN 286 H 0.04 0.21 -0.03 -0.55 8.53 8.20 3dw9A1 ASN 286 HA 0.03 0.15 0.26 -0.75 4.76 4.44 3dw9A1 ASN 286 HB2 0.01 -0.00 0.12 -0.04 2.88 2.97 3dw9A1 ASN 286 HB3 -0.03 0.05 0.01 -0.04 2.79 2.78 3dw9A1 ASN 286 HD21 0.00 0.05 0.01 -0.04 7.03 7.06 3dw9A1 ASN 286 HD22 -0.01 -0.01 -0.02 -0.04 7.74 7.66 3dw9A1 ALA 287 H -0.07 0.17 -0.27 -0.55 8.40 7.69 3dw9A1 ALA 287 HA -0.37 0.10 0.41 -0.75 4.34 3.73 3dw9A1 ALA 287 HB3 -0.32 0.03 -0.07 -0.04 1.41 1.02 3dw9A1 PHE 288 H 0.12 0.13 -0.37 -0.55 8.34 7.66 3dw9A1 PHE 288 HA 0.08 0.08 0.33 -0.75 4.62 4.36 3dw9A1 PHE 288 HB2 0.01 0.11 0.08 -0.04 3.15 3.32 3dw9A1 PHE 288 HB3 0.04 0.05 0.02 -0.04 3.06 3.13 3dw9A1 PHE 288 HD2 0.04 -0.04 0.05 -0.04 7.28 7.30 3dw9A1 PHE 288 HE2 0.05 0.13 0.02 -0.04 7.38 7.53 3dw9A1 PHE 288 HZ 0.04 -0.01 -0.06 -0.04 7.32 7.25 3dw9A1 VAL 289 H 0.10 0.21 -0.31 -0.55 8.24 7.68 3dw9A1 VAL 289 HA 0.07 0.12 0.50 -0.75 4.13 4.06 3dw9A1 VAL 289 HB 0.02 0.04 0.13 -0.04 2.12 2.28 3dw9A1 VAL 289 HG13 0.02 0.00 -0.11 -0.04 0.97 0.84 3dw9A1 VAL 289 HG23 0.06 0.03 -0.00 -0.04 0.95 0.99 3dw9A1 THR 290 H -0.10 0.52 -0.01 -0.55 8.28 8.13 3dw9A1 THR 290 HA -0.06 0.02 0.47 -0.75 4.39 4.06 3dw9A1 THR 290 HB -0.55 0.07 0.16 -0.04 4.32 3.96 3dw9A1 THR 290 HG23 -0.48 -0.02 -0.13 -0.04 1.22 0.55 3dw9A1 TYR 291 H -0.06 0.42 -0.42 -0.55 8.29 7.69 3dw9A1 TYR 291 HA -0.06 0.05 0.57 -0.75 4.56 4.37 3dw9A1 TYR 291 HB2 -0.04 0.09 0.05 -0.04 3.06 3.12 3dw9A1 TYR 291 HB3 -0.03 0.04 0.08 -0.04 2.98 3.03 3dw9A1 TYR 291 HD2 -0.14 -0.00 -0.13 -0.04 7.15 6.84 3dw9A1 TYR 291 HE2 -0.18 -0.02 -0.06 -0.04 6.85 6.55 3dw9A1 GLU 292 H 0.08 0.46 -0.48 -0.55 8.60 8.12 3dw9A1 GLU 292 HA 0.07 0.14 0.67 -0.75 4.29 4.42 3dw9A1 GLU 292 HB2 0.05 0.16 0.10 -0.04 2.09 2.36 3dw9A1 GLU 292 HB3 0.05 -0.08 0.11 -0.04 1.99 2.03 3dw9A1 GLU 292 HG2 0.08 -0.01 0.04 -0.04 2.34 2.40 3dw9A1 GLU 292 HG3 0.11 0.24 0.08 -0.04 2.34 2.72 3dw9A1 ALA 293 H 0.07 0.18 -0.46 -0.55 8.40 7.64 3dw9A1 ALA 293 HA 0.02 -0.02 0.35 -0.75 4.34 3.94 3dw9A1 ALA 293 HB3 0.05 0.01 0.10 -0.04 1.41 1.53 3dw9A1 ALA 294 H -0.00 0.08 0.17 -0.55 8.40 8.10 3dw9A1 ALA 294 HA -0.06 0.15 0.60 -0.75 4.34 4.28 3dw9A1 ALA 294 HB3 -0.03 0.02 0.01 -0.04 1.41 1.36 3dw9A1 SER 295 H -0.20 0.61 0.21 -0.55 8.46 8.52 3dw9A1 SER 295 HA -0.08 -0.00 0.59 -0.75 4.49 4.25 3dw9A1 SER 295 HB2 -0.32 0.18 -0.12 -0.04 3.95 3.65 3dw9A1 SER 295 HB3 -0.32 0.05 0.07 -0.04 3.93 3.69 3dw9A1 LEU 296 H -0.00 0.16 0.21 -0.55 8.37 8.18 3dw9A1 LEU 296 HA -0.01 0.12 0.28 -0.75 4.35 3.98 3dw9A1 LEU 296 HB2 0.04 -0.03 0.14 -0.04 1.64 1.75 3dw9A1 LEU 296 HB3 0.04 0.03 -0.00 -0.04 1.64 1.66 3dw9A1 LEU 296 HG 0.02 0.08 0.09 -0.04 1.64 1.79 3dw9A1 LEU 296 HD13 0.06 -0.00 0.02 -0.04 0.93 0.97 3dw9A1 LEU 296 HD23 0.02 0.00 0.01 -0.04 0.89 0.88 3dw9A1 TYR 297 H 0.13 0.08 -0.09 -0.55 8.29 7.85 3dw9A1 TYR 297 HA 0.00 0.10 0.34 -0.75 4.56 4.24 3dw9A1 TYR 297 HB2 -0.01 0.05 0.10 -0.04 3.06 3.17 3dw9A1 TYR 297 HB3 -0.02 -0.01 0.13 -0.04 2.98 3.03 3dw9A1 TYR 297 HD2 -0.01 -0.04 -0.10 -0.04 7.15 6.97 3dw9A1 TYR 297 HE2 0.02 0.06 -0.07 -0.04 6.85 6.82 3dw9A1 GLY 298 H -0.30 0.05 -0.29 -0.55 8.43 7.34 3dw9A1 GLY 298 HA2 -0.96 -0.02 0.32 -0.51 4.01 2.83 3dw9A1 GLY 298 HA3 -0.40 0.07 0.21 -0.51 4.01 3.38 3dw9A1 LEU 299 H -0.14 0.33 -0.23 -0.55 8.37 7.77 3dw9A1 LEU 299 HA -0.08 0.05 0.44 -0.75 4.35 4.01 3dw9A1 LEU 299 HB2 -0.05 0.06 0.15 -0.04 1.64 1.75 3dw9A1 LEU 299 HB3 -0.04 -0.00 -0.06 -0.04 1.64 1.50 3dw9A1 LEU 299 HG -0.05 0.04 -0.09 -0.04 1.64 1.50 3dw9A1 LEU 299 HD13 -0.02 -0.03 -0.05 -0.04 0.93 0.79 3dw9A1 LEU 299 HD23 -0.03 -0.00 -0.04 -0.04 0.89 0.78 3dw9A1 ALA 300 H -0.06 0.49 -0.04 -0.55 8.40 8.24 3dw9A1 ALA 300 HA -0.02 -0.00 0.09 -0.75 4.34 3.65 3dw9A1 ALA 300 HB3 0.00 -0.03 0.09 -0.04 1.41 1.43 3dw9A1 GLU 301 H -0.14 0.36 -0.31 -0.55 8.60 7.96 3dw9A1 GLU 301 HA -0.03 0.04 0.71 -0.75 4.29 4.26 3dw9A1 GLU 301 HB2 0.01 -0.05 0.08 -0.04 2.09 2.08 3dw9A1 GLU 301 HB3 -0.25 0.02 0.16 -0.04 1.99 1.87 3dw9A1 GLY 302 H -0.22 -0.05 0.08 -0.55 8.43 7.70 3dw9A1 GLY 302 HA2 -0.07 0.15 0.32 -0.51 4.01 3.91 3dw9A1 GLY 302 HA3 -0.05 0.02 0.23 -0.51 4.01 3.70 3dw9A1 VAL 306 HA 0.08 -0.15 0.27 -0.75 4.13 3.58 3dw9A1 VAL 306 HB 0.00 -0.00 0.02 -0.04 2.12 2.10 3dw9A1 VAL 306 HG13 -0.02 -0.02 -0.27 -0.04 0.97 0.63 3dw9A1 VAL 306 HG23 -0.06 -0.05 -0.14 -0.04 0.95 0.66 3dw9A1 HIS 307 H 0.05 0.06 0.11 -0.55 8.41 8.09 3dw9A1 HIS 307 HA 0.01 0.20 0.82 -0.75 4.63 4.90 3dw9A1 HIS 307 HB2 0.02 -0.07 0.16 -0.04 3.26 3.32 3dw9A1 HIS 307 HB3 0.01 0.07 -0.13 -0.04 3.20 3.11 3dw9A1 HIS 307 HD2 0.02 -0.05 0.01 -0.04 6.97 6.90 3dw9A1 HIS 307 HE1 0.03 0.00 0.05 -0.04 7.75 7.79 3dw9A1 ARG 308 H 0.09 0.16 0.10 -0.55 8.46 8.26 3dw9A1 ARG 308 HA -0.09 0.03 0.81 -0.75 4.34 4.34 3dw9A1 ARG 308 HB2 0.01 0.22 -0.10 -0.04 1.90 1.99 3dw9A1 ARG 308 HB3 0.02 -0.03 -0.05 -0.04 1.80 1.71 3dw9A1 ARG 308 HG2 0.07 -0.11 -0.03 -0.04 1.67 1.56 3dw9A1 ARG 308 HG3 0.03 -0.06 -0.53 -0.04 1.67 1.07 3dw9A1 ARG 308 HD2 0.06 0.07 0.02 -0.04 3.22 3.33 3dw9A1 ARG 308 HD3 0.06 0.30 0.06 -0.04 3.22 3.60 3dw9A1 ALA 309 H -0.08 0.51 0.05 -0.55 8.40 8.33 3dw9A1 ALA 309 HA -0.13 0.03 0.57 -0.75 4.34 4.06 3dw9A1 ALA 309 HB3 -0.08 -0.02 0.01 -0.04 1.41 1.28 3dw9A1 ILE 310 H -0.05 0.22 -0.06 -0.55 8.25 7.82 3dw9A1 ILE 310 HA -0.11 0.23 0.77 -0.75 4.18 4.31 3dw9A1 ILE 310 HB -0.14 0.08 0.17 -0.04 1.89 1.96 3dw9A1 ILE 310 HG12 -0.25 -0.07 -0.19 -0.04 1.49 0.94 3dw9A1 ILE 310 HG13 -0.53 -0.07 -0.13 -0.04 1.21 0.44 3dw9A1 ILE 310 HG23 -0.46 -0.02 -0.15 -0.04 0.93 0.25 3dw9A1 ILE 310 HD13 -0.59 0.03 -0.33 -0.04 0.88 -0.06 3dw9A1 ARG 311 H 0.02 0.36 0.28 -0.55 8.46 8.57 3dw9A1 ARG 311 HA 0.06 0.03 0.16 -0.75 4.34 3.83 3dw9A1 ARG 311 HB2 0.06 -0.00 0.05 -0.04 1.90 1.96 3dw9A1 ARG 311 HB3 0.06 0.00 0.14 -0.04 1.80 1.96 3dw9A1 ARG 311 HG2 -0.01 0.04 -0.07 -0.04 1.67 1.60 3dw9A1 ARG 311 HG3 0.01 -0.01 -0.25 -0.04 1.67 1.37 3dw9A1 ARG 311 HD2 -0.04 -0.10 -0.11 -0.04 3.22 2.92 3dw9A1 ARG 311 HD3 -0.15 -0.03 -0.19 -0.04 3.22 2.81 3dw9A1 GLU 312 H -0.01 0.14 -0.12 -0.55 8.60 8.05 3dw9A1 GLU 312 HA 0.09 0.12 0.51 -0.75 4.29 4.26 3dw9A1 GLU 312 HB2 0.06 0.18 -0.34 -0.04 2.09 1.95 3dw9A1 GLU 312 HB3 0.05 -0.09 -0.18 -0.04 1.99 1.73 3dw9A1 GLU 312 HG2 0.16 -0.03 -0.45 -0.04 2.34 1.99 3dw9A1 GLU 312 HG3 0.15 0.00 0.04 -0.04 2.34 2.49 3dw9A1 LEU 313 H 0.18 0.21 0.13 -0.55 8.37 8.34 3dw9A1 LEU 313 HA 0.03 0.25 0.98 -0.75 4.35 4.86 3dw9A1 LEU 313 HB2 0.09 0.03 -0.03 -0.04 1.64 1.68 3dw9A1 LEU 313 HB3 -0.07 -0.03 0.12 -0.04 1.64 1.61 3dw9A1 LEU 313 HG -0.27 -0.01 -0.36 -0.04 1.64 0.96 3dw9A1 LEU 313 HD13 0.05 0.05 -0.19 -0.04 0.93 0.79 3dw9A1 LEU 313 HD23 -1.00 -0.02 -0.22 -0.04 0.89 -0.40 3dw9A1 TYR 314 H 0.18 0.82 0.41 -0.55 8.29 9.15 3dw9A1 TYR 314 HA 0.08 0.12 0.69 -0.75 4.56 4.70 3dw9A1 TYR 314 HB2 -0.03 0.03 -0.17 -0.04 3.06 2.86 3dw9A1 TYR 314 HB3 -0.19 0.01 0.06 -0.04 2.98 2.82 3dw9A1 TYR 314 HD2 -0.62 -0.00 -0.09 -0.04 7.15 6.40 3dw9A1 TYR 314 HE2 -0.07 -0.01 -0.11 -0.04 6.85 6.62 3dw9A1 VAL 315 H -0.03 0.19 0.08 -0.55 8.24 7.93 3dw9A1 VAL 315 HA -0.16 0.56 1.03 -0.75 4.13 4.81 3dw9A1 VAL 315 HB 0.03 -0.04 0.17 -0.04 2.12 2.24 3dw9A1 VAL 315 HG13 -0.01 -0.00 -0.14 -0.04 0.97 0.78 3dw9A1 VAL 315 HG23 0.15 -0.01 -0.19 -0.04 0.95 0.87 3dw9A1 PRO 316 HA -0.36 0.11 0.40 -0.51 4.44 4.07 3dw9A1 PRO 316 HB2 0.08 -0.00 -0.09 -0.04 2.28 2.23 3dw9A1 PRO 316 HB3 -0.16 0.03 -0.02 -0.04 2.02 1.83 3dw9A1 PRO 316 HG2 0.35 -0.05 0.02 -0.04 2.03 2.31 3dw9A1 PRO 316 HG3 0.24 0.03 -0.04 -0.04 2.03 2.22 3dw9A1 PRO 316 HD2 -0.10 0.38 0.20 -0.04 3.68 4.12 3dw9A1 PRO 316 HD3 -0.64 0.17 -0.12 -0.04 3.65 3.01 3dw9A1 PRO 317 HA 0.05 0.06 0.62 -0.51 4.44 4.67 3dw9A1 PRO 317 HB2 0.05 0.02 0.01 -0.04 2.28 2.32 3dw9A1 PRO 317 HB3 0.04 0.04 0.16 -0.04 2.02 2.21 3dw9A1 PRO 317 HG2 0.08 -0.04 0.16 -0.04 2.03 2.18 3dw9A1 PRO 317 HG3 0.07 0.07 0.13 -0.04 2.03 2.26 3dw9A1 PRO 317 HD2 0.05 0.03 0.30 -0.04 3.68 4.02 3dw9A1 PRO 317 HD3 -0.01 0.53 0.37 -0.04 3.65 4.50 3dw9A1 THR 318 H 0.03 0.30 0.03 -0.55 8.28 8.09 3dw9A1 THR 318 HA 0.05 0.29 0.79 -0.75 4.39 4.77 3dw9A1 THR 318 HB 0.00 0.28 0.16 -0.04 4.32 4.73 3dw9A1 THR 318 HG23 0.04 0.04 -0.32 -0.04 1.22 0.95 3dw9A1 ALA 319 H -0.16 0.37 0.14 -0.55 8.40 8.20 3dw9A1 ALA 319 HA -0.63 0.09 0.38 -0.75 4.34 3.42 3dw9A1 ALA 319 HB3 -0.20 0.06 -0.11 -0.04 1.41 1.12 3dw9A1 ALA 320 H -0.03 0.50 0.04 -0.55 8.40 8.35 3dw9A1 ALA 320 HA 0.17 0.11 0.37 -0.75 4.34 4.24 3dw9A1 ALA 320 HB3 0.03 0.01 0.01 -0.04 1.41 1.42 3dw9A1 ASP 321 H 0.04 0.11 -0.46 -0.55 8.40 7.55 3dw9A1 ASP 321 HA 0.13 0.09 0.41 -0.75 4.63 4.51 3dw9A1 ASP 321 HB2 0.09 -0.04 0.10 -0.04 2.71 2.82 3dw9A1 ASP 321 HB3 0.16 0.03 0.06 -0.04 2.70 2.91 3dw9A1 LEU 322 H 0.03 0.28 -0.26 -0.55 8.37 7.88 3dw9A1 LEU 322 HA 0.23 0.03 0.38 -0.75 4.35 4.24 3dw9A1 LEU 322 HB2 0.19 -0.04 0.05 -0.04 1.64 1.79 3dw9A1 LEU 322 HB3 -0.04 0.08 0.18 -0.04 1.64 1.81 3dw9A1 LEU 322 HG 0.08 0.06 -0.33 -0.04 1.64 1.40 3dw9A1 LEU 322 HD13 0.29 -0.01 -0.08 -0.04 0.93 1.09 3dw9A1 LEU 322 HD23 0.15 0.01 -0.02 -0.04 0.89 0.99 3dw9A1 ALA 323 H 0.00 0.59 -0.04 -0.55 8.40 8.41 3dw9A1 ALA 323 HA -0.16 0.04 0.36 -0.75 4.34 3.81 3dw9A1 ALA 323 HB3 -0.26 0.03 0.08 -0.04 1.41 1.22 3dw9A1 ARG 324 H 0.15 0.56 -0.16 -0.55 8.46 8.47 3dw9A1 ARG 324 HA 0.36 0.03 0.26 -0.75 4.34 4.23 3dw9A1 ARG 324 HB2 0.17 0.03 0.17 -0.04 1.90 2.23 3dw9A1 ARG 324 HB3 0.18 -0.02 -0.06 -0.04 1.80 1.86 3dw9A1 ARG 324 HG2 0.42 -0.03 0.03 -0.04 1.67 2.05 3dw9A1 ARG 324 HG3 0.45 0.11 0.05 -0.04 1.67 2.24 3dw9A1 ARG 324 HD2 0.15 -0.01 -0.01 -0.04 3.22 3.31 3dw9A1 ARG 324 HD3 0.13 -0.02 -0.01 -0.04 3.22 3.28 3dw9A1 ARG 325 H 0.05 0.64 -0.09 -0.55 8.46 8.52 3dw9A1 ARG 325 HA 0.02 -0.01 0.42 -0.75 4.34 4.01 3dw9A1 ARG 325 HB2 -0.23 -0.03 0.09 -0.04 1.90 1.69 3dw9A1 ARG 325 HB3 -0.18 0.13 0.13 -0.04 1.80 1.84 3dw9A1 ARG 325 HG2 -0.15 0.02 -0.35 -0.04 1.67 1.15 3dw9A1 ARG 325 HG3 -0.24 -0.02 -0.03 -0.04 1.67 1.34 3dw9A1 ARG 325 HD2 -1.99 -0.05 -0.10 -0.04 3.22 1.04 3dw9A1 ARG 325 HD3 -1.02 -0.01 -0.11 -0.04 3.22 2.04 3dw9A1 PHE 326 H 0.08 0.51 -0.35 -0.55 8.34 8.03 3dw9A1 PHE 326 HA -0.03 0.03 0.42 -0.75 4.62 4.29 3dw9A1 PHE 326 HB2 -0.11 0.01 0.01 -0.04 3.15 3.02 3dw9A1 PHE 326 HB3 -0.31 0.12 0.13 -0.04 3.06 2.96 3dw9A1 PHE 326 HD2 -0.13 -0.02 -0.02 -0.04 7.28 7.07 3dw9A1 PHE 326 HE2 -0.08 0.14 -0.06 -0.04 7.38 7.35 3dw9A1 PHE 326 HZ -0.12 -0.00 -0.13 -0.04 7.32 7.03 3dw9A1 PHE 327 H -0.28 0.57 0.08 -0.55 8.34 8.16 3dw9A1 PHE 327 HA -0.21 0.05 0.48 -0.75 4.62 4.18 3dw9A1 PHE 327 HB2 0.11 0.07 0.15 -0.04 3.15 3.43 3dw9A1 PHE 327 HB3 0.15 0.01 0.01 -0.04 3.06 3.19 3dw9A1 PHE 327 HD2 0.11 -0.04 -0.06 -0.04 7.28 7.25 3dw9A1 PHE 327 HE2 -0.30 0.09 -0.01 -0.04 7.38 7.12 3dw9A1 PHE 327 HZ 0.04 -0.01 -0.05 -0.04 7.32 7.27 3dw9A1 ALA 328 H 0.17 0.56 -0.27 -0.55 8.40 8.31 3dw9A1 ALA 328 HA 0.07 -0.02 0.21 -0.75 4.34 3.85 3dw9A1 ALA 328 HB3 0.08 0.03 0.04 -0.04 1.41 1.51 3dw9A1 PHE 329 H 0.15 0.31 -0.42 -0.55 8.34 7.82 3dw9A1 PHE 329 HA -0.04 -0.00 0.43 -0.75 4.62 4.26 3dw9A1 PHE 329 HB2 0.01 0.02 0.09 -0.04 3.15 3.23 3dw9A1 PHE 329 HB3 0.07 0.07 0.16 -0.04 3.06 3.32 3dw9A1 PHE 329 HD2 -0.00 0.01 -0.13 -0.04 7.28 7.11 3dw9A1 PHE 329 HE2 -0.04 -0.02 -0.14 -0.04 7.38 7.14 3dw9A1 PHE 329 HZ -0.05 0.19 -0.08 -0.04 7.32 7.33 3dw9A1 LEU 330 H -0.26 0.72 -0.08 -0.55 8.37 8.21 3dw9A1 LEU 330 HA -0.58 -0.02 0.36 -0.75 4.35 3.36 3dw9A1 LEU 330 HB2 -1.18 0.09 0.21 -0.04 1.64 0.72 3dw9A1 LEU 330 HB3 -2.36 0.02 0.01 -0.04 1.64 -0.72 3dw9A1 LEU 330 HG -0.86 0.10 -0.02 -0.04 1.64 0.82 3dw9A1 LEU 330 HD13 -1.41 -0.02 -0.14 -0.04 0.93 -0.68 3dw9A1 LEU 330 HD23 -0.53 -0.01 -0.10 -0.04 0.89 0.21 3dw9A1 ASN 331 H -0.17 0.77 0.04 -0.55 8.53 8.62 3dw9A1 ASN 331 HA 0.40 0.00 0.27 -0.75 4.76 4.69 3dw9A1 ASN 331 HB2 0.14 0.08 0.08 -0.04 2.88 3.14 3dw9A1 ASN 331 HB3 0.02 0.10 0.06 -0.04 2.79 2.93 3dw9A1 ASN 331 HD21 -0.01 -0.09 0.02 -0.04 7.03 6.91 3dw9A1 ASN 331 HD22 0.00 0.13 -0.14 -0.04 7.74 7.69 3dw9A1 GLU 332 H -0.17 0.34 -0.60 -0.55 8.60 7.62 3dw9A1 GLU 332 HA -0.08 0.03 0.47 -0.75 4.29 3.96 3dw9A1 GLU 332 HB2 -0.08 0.00 0.09 -0.04 2.09 2.06 3dw9A1 GLU 332 HB3 -0.23 0.11 0.14 -0.04 1.99 1.96 3dw9A1 GLU 332 HG2 -0.12 0.01 -0.11 -0.04 2.34 2.08 3dw9A1 GLU 332 HG3 -0.07 -0.05 0.04 -0.04 2.34 2.23 3dw9A1 ARG 333 H -0.51 0.71 0.14 -0.55 8.46 8.25 3dw9A1 ARG 333 HA -0.27 0.04 0.55 -0.75 4.34 3.91 3dw9A1 ARG 333 HB2 -1.07 -0.06 0.08 -0.04 1.90 0.80 3dw9A1 ARG 333 HB3 -0.89 0.08 0.12 -0.04 1.80 1.06 3dw9A1 ARG 333 HG2 -0.08 -0.08 -0.11 -0.04 1.67 1.36 3dw9A1 ARG 333 HG3 -0.15 -0.01 -0.24 -0.04 1.67 1.22 3dw9A1 ARG 333 HD2 -0.11 -0.04 0.09 -0.04 3.22 3.12 3dw9A1 ARG 333 HD3 0.02 -0.00 0.03 -0.04 3.22 3.23 3dw9A1 MET 334 H -0.17 0.83 0.01 -0.55 8.47 8.60 3dw9A1 MET 334 HA -0.02 0.03 0.40 -0.75 4.52 4.18 3dw9A1 MET 334 HB2 0.29 0.11 -0.03 -0.04 2.15 2.48 3dw9A1 MET 334 HB3 0.29 0.03 0.11 -0.04 2.03 2.42 3dw9A1 MET 334 HG2 -0.26 -0.07 0.04 -0.04 2.63 2.30 3dw9A1 MET 334 HG3 -0.04 0.04 -0.04 -0.04 2.56 2.48 3dw9A1 MET 334 HE3 0.15 -0.02 -0.19 -0.04 2.10 2.00 3dw9A1 GLU 335 H -0.03 0.25 -0.59 -0.55 8.60 7.68 3dw9A1 GLU 335 HA 0.01 0.21 0.72 -0.75 4.29 4.47 3dw9A1 GLU 335 HB2 -0.01 -0.08 0.14 -0.04 2.09 2.10 3dw9A1 GLU 335 HB3 -0.00 0.10 0.08 -0.04 1.99 2.12 3dw9A1 GLU 335 HG2 -0.04 0.24 0.01 -0.04 2.34 2.50 3dw9A1 GLU 335 HG3 -0.03 -0.01 -0.25 -0.04 2.34 2.00 3dw9A1 LEU 336 H -0.04 0.40 -0.20 -0.55 8.37 7.99 3dw9A1 LEU 336 HA -0.02 0.10 0.80 -0.75 4.35 4.48 3dw9A1 LEU 336 HB2 -0.04 0.10 0.04 -0.04 1.64 1.70 3dw9A1 LEU 336 HB3 -0.03 -0.08 0.11 -0.04 1.64 1.60 3dw9A1 LEU 336 HG -0.06 0.14 0.12 -0.04 1.64 1.80 3dw9A1 LEU 336 HD13 -0.04 -0.03 0.06 -0.04 0.93 0.89 3dw9A1 LEU 336 HD23 -0.04 -0.04 -0.11 -0.04 0.89 0.66 3dw9A1 VAL 337 H -0.00 0.23 -0.26 -0.55 8.24 7.65 3dw9A1 VAL 337 HA -0.01 0.04 0.78 -0.75 4.13 4.19 3dw9A1 VAL 337 HB 0.03 0.15 0.11 -0.04 2.12 2.37 3dw9A1 VAL 337 HG13 0.00 0.05 -0.03 -0.04 0.97 0.96 3dw9A1 VAL 337 HG23 0.00 -0.02 0.02 -0.04 0.95 0.90 3dw9A1 ASN 338 H -0.01 0.08 0.09 -0.55 8.53 8.15 3dw9A1 ASN 338 HA -0.01 0.08 0.31 -0.75 4.76 4.39 3dw9A1 ASN 338 HB2 -0.01 -0.03 0.09 -0.04 2.88 2.89 3dw9A1 ASN 338 HB3 -0.01 -0.05 -0.00 -0.04 2.79 2.68 3dw9A1 ASN 338 HD21 -0.01 0.03 0.03 -0.04 7.03 7.04 3dw9A1 ASN 338 HD22 -0.01 -0.03 0.08 -0.04 7.74 7.73 3dw9A1 GLY 339 H -0.02 0.14 0.07 -0.55 8.43 8.07 3dw9A1 GLY 339 HA2 -0.02 0.13 0.25 -0.51 4.01 3.86 3dw9A1 GLY 339 HA3 -0.03 0.10 0.19 -0.51 4.01 3.76