============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. TYR 4 0.840 3.837 -19.032 26.931 -99.200 -91.000 HIS 5 0.900 -1.868 -24.793 23.941 -99.200 -91.000 HIS 19 0.900 3.620 -6.460 18.719 -99.200 -91.000 TRP 20 1.040 0.031 -8.599 23.123 -99.200 -91.000 TRP6 20 1.020 -0.908 -10.607 23.945 -99.200 -91.000 TRP 36 1.040 -3.517 -3.443 24.566 -99.200 -91.000 TRP6 36 1.020 -2.631 -5.311 25.711 -99.200 -91.000 PHE 41 1.000 -5.242 -9.797 27.106 -99.200 -91.000 HIS 43 0.900 -14.133 -15.754 29.209 -99.200 -91.000 PHE 45 1.000 -13.376 -12.961 36.387 -99.200 -91.000 PHE 50 1.000 -10.216 -6.312 48.931 -99.200 -91.000 TYR 68 0.840 -12.808 1.228 27.631 -99.200 -91.000 TYR 69 0.840 -15.032 -5.290 30.431 -99.200 -91.000 PHE 75 1.000 -9.747 -11.146 50.362 -99.200 -91.000 HIS 80 0.900 -4.980 -19.461 58.601 -99.200 -91.000 HIS 81 0.900 -6.619 -12.590 53.923 -99.200 -91.000 PHE 82 1.000 -2.569 -8.376 60.140 -99.200 -91.000 TYR 96 0.840 -13.896 1.925 44.620 -99.200 -91.000 TYR 97 0.840 -15.557 -4.546 42.953 -99.200 -91.000 HIS 105 0.900 -16.967 -13.587 41.281 -99.200 -91.000 TYR 107 0.840 -13.699 -19.312 44.029 -99.200 -91.000 PHE 118 1.000 -5.583 -24.104 56.501 -99.200 -91.000 TYR 122 0.840 -6.140 -28.896 55.070 -99.200 -91.000 PHE 125 1.000 -1.169 -22.551 66.670 -99.200 -91.000 TRP 127 1.040 1.735 -19.548 60.980 -99.200 -91.000 TRP6 127 1.020 -0.493 -19.933 61.669 -99.200 -91.000 TYR 134 0.840 -0.868 -20.716 55.887 -99.200 -91.000 TYR 136 0.840 -2.008 -27.108 46.716 -99.200 -91.000 HIS 144 0.900 -5.412 -24.846 39.158 -99.200 -91.000 TYR 147 0.840 -6.322 -17.830 38.985 -99.200 -91.000 HIS 151 0.900 -15.992 -21.300 33.127 -99.200 -91.000 PHE 156 1.000 -6.526 -5.256 34.680 -99.200 -91.000 TRP 190 1.040 2.044 4.695 38.559 -99.200 -91.000 TRP6 190 1.020 0.152 5.582 39.662 -99.200 -91.000 PHE 192 1.000 3.788 2.193 49.713 -99.200 -91.000 TYR 198 0.840 -5.521 6.852 41.589 -99.200 -91.000 TYR 206 0.840 -5.462 4.524 54.206 -99.200 -91.000 TYR 214 0.840 1.416 -3.976 60.742 -99.200 -91.000 TYR 220 0.840 -4.024 -14.806 62.575 -99.200 -91.000 HIS 221 0.900 -0.083 -16.919 59.627 -99.200 -91.000 HIS 241 0.900 1.875 -12.964 43.442 -99.200 -91.000 PHE 246 1.000 3.096 -23.886 46.106 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2oq2D1 MET 1 HA -0.02 -0.12 0.24 -0.75 4.52 3.86 2oq2D1 MET 1 HB2 -0.02 -0.00 0.06 -0.04 2.15 2.15 2oq2D1 MET 1 HB3 -0.02 0.03 0.06 -0.04 2.03 2.05 2oq2D1 MET 1 HG2 -0.02 0.01 -0.07 -0.04 2.63 2.51 2oq2D1 MET 1 HG3 -0.03 0.18 -0.26 -0.04 2.56 2.41 2oq2D1 MET 1 HE3 -0.03 0.04 0.02 -0.04 2.10 2.08 2oq2D1 LYS 2 H -0.04 0.04 0.12 -0.55 8.42 7.98 2oq2D1 LYS 2 HA -0.11 0.11 0.58 -0.75 4.32 4.14 2oq2D1 LYS 2 HB2 -0.10 0.04 0.13 -0.04 1.87 1.90 2oq2D1 LYS 2 HB3 -0.08 -0.11 0.17 -0.04 1.79 1.73 2oq2D1 LYS 2 HG2 -0.30 -0.03 -0.04 -0.04 1.46 1.05 2oq2D1 LYS 2 HG3 -0.75 -0.02 -0.33 -0.04 1.46 0.32 2oq2D1 LYS 2 HD2 -0.25 0.03 0.12 -0.04 1.69 1.55 2oq2D1 LYS 2 HD3 -0.18 -0.03 0.03 -0.04 1.68 1.47 2oq2D1 LYS 2 HE2 -0.27 -0.06 -0.02 -0.04 2.99 2.59 2oq2D1 LYS 2 HE3 -1.15 -0.04 -0.16 -0.04 2.99 1.60 2oq2D1 THR 3 H -0.12 0.23 0.25 -0.55 8.28 8.10 2oq2D1 THR 3 HA -0.05 0.16 0.87 -0.75 4.39 4.62 2oq2D1 THR 3 HB -0.04 0.02 -0.06 -0.04 4.32 4.21 2oq2D1 THR 3 HG23 -0.02 0.02 -0.15 -0.04 1.22 1.02 2oq2D1 TYR 4 H 0.17 0.79 0.30 -0.55 8.29 9.00 2oq2D1 TYR 4 HA 0.14 0.11 0.86 -0.75 4.56 4.92 2oq2D1 TYR 4 HB2 0.05 -0.01 0.06 -0.04 3.06 3.12 2oq2D1 TYR 4 HB3 0.06 0.02 -0.11 -0.04 2.98 2.91 2oq2D1 TYR 4 HD2 0.03 0.09 -0.16 -0.04 7.15 7.07 2oq2D1 TYR 4 HE2 0.01 -0.03 -0.13 -0.04 6.85 6.66 2oq2D1 HIS 5 H 0.33 0.16 0.12 -0.55 8.41 8.47 2oq2D1 HIS 5 HA 0.06 0.22 0.86 -0.75 4.63 5.02 2oq2D1 HIS 5 HB2 0.04 -0.05 0.15 -0.04 3.26 3.36 2oq2D1 HIS 5 HB3 0.03 0.09 -0.01 -0.04 3.20 3.26 2oq2D1 HIS 5 HD2 0.01 0.03 -0.06 -0.04 6.97 6.91 2oq2D1 HIS 5 HE1 -0.02 -0.02 -0.13 -0.04 7.75 7.54 2oq2D1 LEU 6 H 0.06 0.85 0.27 -0.55 8.37 9.00 2oq2D1 LEU 6 HA 0.04 0.05 0.77 -0.75 4.35 4.46 2oq2D1 LEU 6 HB2 0.03 0.01 0.01 -0.04 1.64 1.66 2oq2D1 LEU 6 HB3 -0.01 0.23 0.14 -0.04 1.64 1.96 2oq2D1 LEU 6 HG 0.08 -0.05 -0.35 -0.04 1.64 1.28 2oq2D1 LEU 6 HD13 0.04 0.01 -0.16 -0.04 0.93 0.78 2oq2D1 LEU 6 HD23 0.01 -0.04 -0.56 -0.04 0.89 0.26 2oq2D1 ASN 7 H -0.04 0.73 0.37 -0.55 8.53 9.05 2oq2D1 ASN 7 HA -0.02 -0.05 0.59 -0.75 4.76 4.54 2oq2D1 ASN 7 HB2 -0.08 0.24 -0.00 -0.04 2.88 2.99 2oq2D1 ASN 7 HB3 -0.06 -0.11 0.04 -0.04 2.79 2.62 2oq2D1 ASN 7 HD21 -0.09 0.03 -0.01 -0.04 7.03 6.92 2oq2D1 ASN 7 HD22 -0.11 0.54 0.12 -0.04 7.74 8.25 2oq2D1 ASN 8 H -0.06 0.12 0.16 -0.55 8.53 8.20 2oq2D1 ASN 8 HA -0.10 0.00 0.32 -0.75 4.76 4.23 2oq2D1 ASN 8 HB2 -0.12 0.22 0.05 -0.04 2.88 2.98 2oq2D1 ASN 8 HB3 -0.13 -0.03 0.17 -0.04 2.79 2.75 2oq2D1 ASN 8 HD21 -0.49 0.43 -0.29 -0.04 7.03 6.63 2oq2D1 ASN 8 HD22 -0.33 0.02 -0.41 -0.04 7.74 6.97 2oq2D1 ASP 9 H -0.00 0.13 -0.19 -0.55 8.40 7.79 2oq2D1 ASP 9 HA 0.02 0.03 0.22 -0.75 4.63 4.15 2oq2D1 ASP 9 HB2 0.01 0.19 -0.24 -0.04 2.71 2.63 2oq2D1 ASP 9 HB3 0.01 -0.05 0.14 -0.04 2.70 2.77 2oq2D1 ILE 10 H 0.02 0.29 -0.63 -0.55 8.25 7.37 2oq2D1 ILE 10 HA 0.04 0.05 0.60 -0.75 4.18 4.11 2oq2D1 ILE 10 HB 0.05 0.11 -0.01 -0.04 1.89 2.00 2oq2D1 ILE 10 HG12 0.09 -0.05 0.01 -0.04 1.49 1.50 2oq2D1 ILE 10 HG13 0.06 0.14 -0.12 -0.04 1.21 1.25 2oq2D1 ILE 10 HG23 0.14 -0.03 -0.21 -0.04 0.93 0.79 2oq2D1 ILE 10 HD13 0.13 0.00 -0.01 -0.04 0.88 0.96 2oq2D1 ILE 11 H 0.02 0.21 0.23 -0.55 8.25 8.16 2oq2D1 ILE 11 HA -0.09 0.33 1.01 -0.75 4.18 4.68 2oq2D1 ILE 11 HB -0.06 -0.05 0.06 -0.04 1.89 1.80 2oq2D1 ILE 11 HG12 -0.08 0.14 -0.13 -0.04 1.49 1.38 2oq2D1 ILE 11 HG13 -0.13 -0.04 -0.04 -0.04 1.21 0.95 2oq2D1 ILE 11 HG23 -0.23 -0.03 -0.15 -0.04 0.93 0.48 2oq2D1 ILE 11 HD13 -0.51 0.02 -0.18 -0.04 0.88 0.16 2oq2D1 VAL 12 H 0.08 0.63 0.28 -0.55 8.24 8.68 2oq2D1 VAL 12 HA 0.07 0.13 0.84 -0.75 4.13 4.42 2oq2D1 VAL 12 HB 0.17 -0.04 0.04 -0.04 2.12 2.25 2oq2D1 VAL 12 HG13 -0.03 0.02 -0.12 -0.04 0.97 0.79 2oq2D1 VAL 12 HG23 0.31 0.03 -0.25 -0.04 0.95 1.00 2oq2D1 THR 13 H -0.05 0.12 0.15 -0.55 8.28 7.95 2oq2D1 THR 13 HA 0.02 0.27 0.85 -0.75 4.39 4.78 2oq2D1 THR 13 HB -0.03 0.07 0.15 -0.04 4.32 4.47 2oq2D1 THR 13 HG23 -0.03 0.05 -0.01 -0.04 1.22 1.19 2oq2D1 GLN 14 H 0.02 0.66 0.27 -0.55 8.47 8.88 2oq2D1 GLN 14 HA 0.19 0.08 0.44 -0.75 4.36 4.32 2oq2D1 GLN 14 HB2 0.05 0.07 0.18 -0.04 2.15 2.40 2oq2D1 GLN 14 HB3 0.01 -0.04 0.14 -0.04 2.02 2.09 2oq2D1 GLN 14 HG2 0.04 0.02 0.01 -0.04 2.40 2.44 2oq2D1 GLN 14 HG3 0.04 -0.02 -0.13 -0.04 2.39 2.23 2oq2D1 GLN 14 HE21 0.09 0.04 0.00 -0.04 6.97 7.06 2oq2D1 GLN 14 HE22 0.05 -0.03 0.02 -0.04 7.69 7.69 2oq2D1 GLU 15 H -0.03 0.13 -0.09 -0.55 8.60 8.06 2oq2D1 GLU 15 HA -0.04 0.10 0.49 -0.75 4.29 4.08 2oq2D1 GLU 15 HB2 -0.04 0.03 0.10 -0.04 2.09 2.14 2oq2D1 GLU 15 HB3 -0.08 -0.01 0.04 -0.04 1.99 1.90 2oq2D1 GLU 15 HG2 -0.08 0.02 -0.16 -0.04 2.34 2.07 2oq2D1 GLU 15 HG3 -0.03 0.01 0.04 -0.04 2.34 2.31 2oq2D1 GLN 16 H -0.20 0.06 -0.24 -0.55 8.47 7.55 2oq2D1 GLN 16 HA -0.49 0.08 0.46 -0.75 4.36 3.66 2oq2D1 GLN 16 HB2 -0.46 0.04 0.15 -0.04 2.15 1.84 2oq2D1 GLN 16 HB3 -1.37 0.08 -0.02 -0.04 2.02 0.67 2oq2D1 GLN 16 HG2 -0.25 0.07 0.05 -0.04 2.40 2.23 2oq2D1 GLN 16 HG3 -0.20 -0.08 0.06 -0.04 2.39 2.13 2oq2D1 GLN 16 HE21 0.11 0.12 0.07 -0.04 6.97 7.23 2oq2D1 GLN 16 HE22 0.09 0.01 0.03 -0.04 7.69 7.78 2oq2D1 LEU 17 H -0.31 0.45 -0.15 -0.55 8.37 7.81 2oq2D1 LEU 17 HA -0.12 0.04 0.39 -0.75 4.35 3.90 2oq2D1 LEU 17 HB2 -0.11 0.03 0.01 -0.04 1.64 1.53 2oq2D1 LEU 17 HB3 -0.04 0.09 0.12 -0.04 1.64 1.77 2oq2D1 LEU 17 HG 0.01 0.01 -0.22 -0.04 1.64 1.40 2oq2D1 LEU 17 HD13 0.12 0.01 -0.19 -0.04 0.93 0.82 2oq2D1 LEU 17 HD23 -0.18 -0.01 -0.06 -0.04 0.89 0.60 2oq2D1 ASP 18 H -0.07 0.62 -0.08 -0.55 8.40 8.32 2oq2D1 ASP 18 HA 0.00 0.02 0.48 -0.75 4.63 4.38 2oq2D1 ASP 18 HB2 -0.02 0.07 0.15 -0.04 2.71 2.87 2oq2D1 ASP 18 HB3 -0.00 -0.03 0.01 -0.04 2.70 2.63 2oq2D1 HIS 19 H -0.06 0.55 -0.21 -0.55 8.41 8.15 2oq2D1 HIS 19 HA -0.04 -0.00 0.42 -0.75 4.63 4.26 2oq2D1 HIS 19 HB2 -0.12 0.04 0.12 -0.04 3.26 3.26 2oq2D1 HIS 19 HB3 -0.30 0.12 0.21 -0.04 3.20 3.19 2oq2D1 HIS 19 HD2 0.26 0.03 -0.15 -0.04 6.97 7.06 2oq2D1 HIS 19 HE1 0.03 -0.00 -0.02 -0.04 7.75 7.71 2oq2D1 TRP 20 H -0.03 0.62 -0.09 -0.55 7.97 7.92 2oq2D1 TRP 20 HA -0.17 0.02 0.36 -0.75 4.62 4.08 2oq2D1 TRP 20 HB2 0.09 0.09 0.14 -0.04 3.23 3.51 2oq2D1 TRP 20 HB3 -0.06 -0.05 0.01 -0.04 3.23 3.09 2oq2D1 TRP 20 HD1 0.28 -0.06 -0.06 -0.04 7.22 7.34 2oq2D1 TRP 20 HE1 0.30 -0.00 -0.03 -0.04 10.20 10.43 2oq2D1 TRP 20 HE3 0.26 -0.02 -0.08 -0.04 7.59 7.71 2oq2D1 TRP 20 HZ2 0.13 0.03 -0.03 -0.04 7.44 7.53 2oq2D1 TRP 20 HZ3 0.22 -0.01 -0.12 -0.04 7.13 7.18 2oq2D1 TRP 20 HH2 0.26 0.05 -0.07 -0.04 7.19 7.39 2oq2D1 ASN 21 H 0.12 0.52 -0.12 -0.55 8.53 8.50 2oq2D1 ASN 21 HA 0.01 -0.05 0.50 -0.75 4.76 4.46 2oq2D1 ASN 21 HB2 0.03 0.13 0.19 -0.04 2.88 3.19 2oq2D1 ASN 21 HB3 0.01 -0.02 0.06 -0.04 2.79 2.80 2oq2D1 ASN 21 HD21 0.06 0.37 0.13 -0.04 7.03 7.55 2oq2D1 ASN 21 HD22 0.05 0.01 0.00 -0.04 7.74 7.76 2oq2D1 GLU 22 H -0.04 0.58 -0.12 -0.55 8.60 8.46 2oq2D1 GLU 22 HA -0.05 0.01 0.51 -0.75 4.29 4.00 2oq2D1 GLU 22 HB2 -0.15 0.14 0.17 -0.04 2.09 2.20 2oq2D1 GLU 22 HB3 -0.08 -0.06 0.01 -0.04 1.99 1.81 2oq2D1 GLU 22 HG2 -0.03 -0.07 0.04 -0.04 2.34 2.24 2oq2D1 GLU 22 HG3 -0.03 0.21 0.10 -0.04 2.34 2.59 2oq2D1 GLN 23 H -0.19 0.50 -0.11 -0.55 8.47 8.12 2oq2D1 GLN 23 HA -0.14 0.11 0.66 -0.75 4.36 4.23 2oq2D1 GLN 23 HB2 -0.25 0.05 0.10 -0.04 2.15 2.01 2oq2D1 GLN 23 HB3 -0.18 -0.05 0.02 -0.04 2.02 1.77 2oq2D1 GLN 23 HG2 -0.66 0.15 0.05 -0.04 2.40 1.90 2oq2D1 GLN 23 HG3 -0.43 -0.04 -0.02 -0.04 2.39 1.86 2oq2D1 GLN 23 HE21 -0.05 -0.02 0.00 -0.04 6.97 6.86 2oq2D1 GLN 23 HE22 -0.09 -0.01 0.03 -0.04 7.69 7.58 2oq2D1 LEU 24 H -0.20 0.72 0.09 -0.55 8.37 8.43 2oq2D1 LEU 24 HA -0.29 0.03 0.44 -0.75 4.35 3.78 2oq2D1 LEU 24 HB2 -0.18 0.06 0.11 -0.04 1.64 1.59 2oq2D1 LEU 24 HB3 -0.22 -0.07 0.06 -0.04 1.64 1.37 2oq2D1 LEU 24 HG -0.71 0.05 0.10 -0.04 1.64 1.04 2oq2D1 LEU 24 HD13 -0.50 -0.02 -0.12 -0.04 0.93 0.25 2oq2D1 LEU 24 HD23 -1.15 -0.01 0.01 -0.04 0.89 -0.31 2oq2D1 ILE 25 H -0.09 0.31 -0.36 -0.55 8.25 7.56 2oq2D1 ILE 25 HA -0.04 0.03 0.50 -0.75 4.18 3.92 2oq2D1 ILE 25 HB -0.02 -0.04 0.07 -0.04 1.89 1.86 2oq2D1 ILE 25 HG12 -0.06 0.13 -0.03 -0.04 1.49 1.49 2oq2D1 ILE 25 HG13 -0.05 0.01 -0.14 -0.04 1.21 0.99 2oq2D1 ILE 25 HG23 -0.02 0.02 0.08 -0.04 0.93 0.96 2oq2D1 ILE 25 HD13 -0.03 -0.03 0.04 -0.04 0.88 0.82 2oq2D1 LYS 26 H -0.08 0.37 -0.49 -0.55 8.42 7.66 2oq2D1 LYS 26 HA -0.03 0.07 0.55 -0.75 4.32 4.15 2oq2D1 LYS 26 HB2 -0.07 0.15 0.09 -0.04 1.87 2.01 2oq2D1 LYS 26 HB3 -0.03 -0.10 0.12 -0.04 1.79 1.74 2oq2D1 LYS 26 HG2 -0.04 -0.04 -0.01 -0.04 1.46 1.32 2oq2D1 LYS 26 HG3 -0.07 0.13 0.13 -0.04 1.46 1.61 2oq2D1 LYS 26 HD2 -0.05 -0.02 0.05 -0.04 1.69 1.64 2oq2D1 LYS 26 HD3 -0.03 -0.05 0.04 -0.04 1.68 1.60 2oq2D1 LYS 26 HE2 -0.03 -0.01 0.01 -0.04 2.99 2.93 2oq2D1 LYS 26 HE3 -0.04 0.03 0.01 -0.04 2.99 2.95 2oq2D1 LEU 27 H -0.07 0.40 -0.38 -0.55 8.37 7.78 2oq2D1 LEU 27 HA -0.03 0.03 0.61 -0.75 4.35 4.22 2oq2D1 LEU 27 HB2 -0.06 0.15 0.10 -0.04 1.64 1.79 2oq2D1 LEU 27 HB3 -0.03 -0.20 0.04 -0.04 1.64 1.41 2oq2D1 LEU 27 HG -0.15 0.07 0.05 -0.04 1.64 1.57 2oq2D1 LEU 27 HD13 -0.12 -0.02 -0.16 -0.04 0.93 0.58 2oq2D1 LEU 27 HD23 -0.06 -0.00 -0.12 -0.04 0.89 0.67 2oq2D1 GLU 28 H 0.01 0.05 0.18 -0.55 8.60 8.29 2oq2D1 GLU 28 HA 0.03 0.24 0.40 -0.75 4.29 4.21 2oq2D1 GLU 28 HB2 0.03 -0.05 0.14 -0.04 2.09 2.16 2oq2D1 GLU 28 HB3 0.04 -0.03 0.03 -0.04 1.99 2.00 2oq2D1 GLU 28 HG2 0.02 0.00 0.02 -0.04 2.34 2.35 2oq2D1 GLU 28 HG3 0.01 0.13 -0.06 -0.04 2.34 2.38 2oq2D1 THR 29 H 0.02 0.07 -0.00 -0.55 8.28 7.82 2oq2D1 THR 29 HA 0.13 0.31 0.89 -0.75 4.39 4.96 2oq2D1 THR 29 HB 0.07 -0.04 0.12 -0.04 4.32 4.43 2oq2D1 THR 29 HG23 0.12 0.03 -0.17 -0.04 1.22 1.15 2oq2D1 PRO 30 HA -0.21 0.21 0.63 -0.51 4.44 4.57 2oq2D1 PRO 30 HB2 -0.62 0.02 -0.05 -0.04 2.28 1.58 2oq2D1 PRO 30 HB3 -0.58 0.06 -0.11 -0.04 2.02 1.35 2oq2D1 PRO 30 HG2 -2.16 0.03 0.05 -0.04 2.03 -0.10 2oq2D1 PRO 30 HG3 -0.99 0.07 0.10 -0.04 2.03 1.17 2oq2D1 PRO 30 HD2 -0.07 0.08 0.21 -0.04 3.68 3.87 2oq2D1 PRO 30 HD3 0.17 0.21 0.19 -0.04 3.65 4.18 2oq2D1 GLN 31 H -0.13 0.14 -0.19 -0.55 8.47 7.75 2oq2D1 GLN 31 HA -0.14 0.11 0.33 -0.75 4.36 3.90 2oq2D1 GLN 31 HB2 -0.01 -0.05 0.03 -0.04 2.15 2.08 2oq2D1 GLN 31 HB3 -0.01 0.09 -0.03 -0.04 2.02 2.03 2oq2D1 GLN 31 HG2 0.01 0.10 0.00 -0.04 2.40 2.47 2oq2D1 GLN 31 HG3 -0.12 0.01 -0.00 -0.04 2.39 2.23 2oq2D1 GLN 31 HE21 0.24 0.00 -0.01 -0.04 6.97 7.16 2oq2D1 GLN 31 HE22 0.16 0.07 -0.02 -0.04 7.69 7.87 2oq2D1 GLU 32 H -0.02 0.08 -0.31 -0.55 8.60 7.80 2oq2D1 GLU 32 HA 0.03 0.11 0.52 -0.75 4.29 4.20 2oq2D1 GLU 32 HB2 -0.00 0.03 0.14 -0.04 2.09 2.22 2oq2D1 GLU 32 HB3 0.02 0.06 0.01 -0.04 1.99 2.04 2oq2D1 GLU 32 HG2 0.03 0.09 0.04 -0.04 2.34 2.46 2oq2D1 GLU 32 HG3 0.02 -0.05 0.02 -0.04 2.34 2.29 2oq2D1 ILE 33 H -0.03 0.35 -0.07 -0.55 8.25 7.95 2oq2D1 ILE 33 HA 0.07 0.05 0.52 -0.75 4.18 4.07 2oq2D1 ILE 33 HB -0.04 0.10 0.21 -0.04 1.89 2.12 2oq2D1 ILE 33 HG12 -0.07 -0.00 0.06 -0.04 1.49 1.43 2oq2D1 ILE 33 HG13 -0.04 -0.04 0.07 -0.04 1.21 1.15 2oq2D1 ILE 33 HG23 0.10 -0.01 -0.12 -0.04 0.93 0.86 2oq2D1 ILE 33 HD13 -0.05 0.02 0.00 -0.04 0.88 0.81 2oq2D1 ILE 34 H -0.06 0.53 -0.18 -0.55 8.25 7.99 2oq2D1 ILE 34 HA 0.10 0.01 0.36 -0.75 4.18 3.89 2oq2D1 ILE 34 HB -0.18 0.08 0.11 -0.04 1.89 1.86 2oq2D1 ILE 34 HG12 -0.68 -0.04 -0.01 -0.04 1.49 0.72 2oq2D1 ILE 34 HG13 -0.25 0.09 0.04 -0.04 1.21 1.05 2oq2D1 ILE 34 HG23 -0.37 0.01 -0.12 -0.04 0.93 0.41 2oq2D1 ILE 34 HD13 -0.41 -0.04 -0.15 -0.04 0.88 0.25 2oq2D1 ALA 35 H -0.02 0.44 -0.15 -0.55 8.40 8.13 2oq2D1 ALA 35 HA -0.29 0.06 0.40 -0.75 4.34 3.75 2oq2D1 ALA 35 HB3 0.01 0.01 0.11 -0.04 1.41 1.50 2oq2D1 TRP 36 H 0.18 0.53 -0.12 -0.55 7.97 8.01 2oq2D1 TRP 36 HA -0.13 0.02 0.49 -0.75 4.62 4.25 2oq2D1 TRP 36 HB2 -0.07 -0.02 0.11 -0.04 3.23 3.21 2oq2D1 TRP 36 HB3 -0.07 0.10 0.16 -0.04 3.23 3.38 2oq2D1 TRP 36 HD1 -0.08 -0.01 -0.00 -0.04 7.22 7.09 2oq2D1 TRP 36 HE1 -0.14 -0.01 -0.04 -0.04 10.20 9.97 2oq2D1 TRP 36 HE3 -0.05 0.11 -0.09 -0.04 7.59 7.52 2oq2D1 TRP 36 HZ2 -1.11 -0.02 -0.05 -0.04 7.44 6.22 2oq2D1 TRP 36 HZ3 -0.01 -0.03 -0.09 -0.04 7.13 6.95 2oq2D1 TRP 36 HH2 -1.11 -0.03 -0.08 -0.04 7.19 5.93 2oq2D1 SER 37 H 0.22 0.51 -0.19 -0.55 8.46 8.45 2oq2D1 SER 37 HA -0.48 -0.03 0.37 -0.75 4.49 3.60 2oq2D1 SER 37 HB2 0.33 0.15 0.14 -0.04 3.95 4.53 2oq2D1 SER 37 HB3 0.00 -0.05 -0.03 -0.04 3.93 3.81 2oq2D1 ILE 38 H -0.10 0.57 -0.07 -0.55 8.25 8.09 2oq2D1 ILE 38 HA -0.14 0.03 0.40 -0.75 4.18 3.72 2oq2D1 ILE 38 HB -0.51 0.09 0.19 -0.04 1.89 1.61 2oq2D1 ILE 38 HG12 -0.40 -0.00 0.03 -0.04 1.49 1.08 2oq2D1 ILE 38 HG13 -0.07 0.07 0.06 -0.04 1.21 1.22 2oq2D1 ILE 38 HG23 -0.64 -0.01 -0.13 -0.04 0.93 0.10 2oq2D1 ILE 38 HD13 -0.27 -0.04 -0.04 -0.04 0.88 0.49 2oq2D1 VAL 39 H -0.37 0.43 -0.20 -0.55 8.24 7.55 2oq2D1 VAL 39 HA -0.15 0.04 0.40 -0.75 4.13 3.66 2oq2D1 VAL 39 HB -0.29 0.05 0.13 -0.04 2.12 1.97 2oq2D1 VAL 39 HG13 -0.10 -0.03 -0.04 -0.04 0.97 0.76 2oq2D1 VAL 39 HG23 -0.20 0.04 0.03 -0.04 0.95 0.77 2oq2D1 THR 40 H -0.67 0.33 -0.33 -0.55 8.28 7.05 2oq2D1 THR 40 HA -0.62 0.01 0.26 -0.75 4.39 3.29 2oq2D1 THR 40 HB -2.03 0.02 0.09 -0.04 4.32 2.37 2oq2D1 THR 40 HG23 -1.59 -0.05 -0.07 -0.04 1.22 -0.53 2oq2D1 PHE 41 H -0.36 0.59 -0.02 -0.55 8.34 8.00 2oq2D1 PHE 41 HA -0.19 0.19 0.90 -0.75 4.62 4.76 2oq2D1 PHE 41 HB2 -0.27 0.01 0.05 -0.04 3.15 2.90 2oq2D1 PHE 41 HB3 -0.16 0.08 -0.10 -0.04 3.06 2.83 2oq2D1 PHE 41 HD2 -0.34 0.07 -0.03 -0.04 7.28 6.94 2oq2D1 PHE 41 HE2 -0.45 -0.05 -0.09 -0.04 7.38 6.75 2oq2D1 PHE 41 HZ -1.17 -0.08 -0.10 -0.04 7.32 5.93 2oq2D1 PRO 42 HA -0.10 0.10 0.73 -0.51 4.44 4.66 2oq2D1 PRO 42 HB2 -0.19 0.01 0.03 -0.04 2.28 2.10 2oq2D1 PRO 42 HB3 -0.13 0.02 0.13 -0.04 2.02 2.00 2oq2D1 PRO 42 HG2 0.13 0.02 0.06 -0.04 2.03 2.19 2oq2D1 PRO 42 HG3 0.00 0.02 0.08 -0.04 2.03 2.09 2oq2D1 PRO 42 HD2 0.08 0.04 0.28 -0.04 3.68 4.04 2oq2D1 PRO 42 HD3 -0.07 0.26 0.12 -0.04 3.65 3.92 2oq2D1 HIS 43 H -0.27 0.12 0.16 -0.55 8.41 7.88 2oq2D1 HIS 43 HA 0.18 0.06 0.37 -0.75 4.63 4.49 2oq2D1 HIS 43 HB2 0.07 0.05 0.11 -0.04 3.26 3.45 2oq2D1 HIS 43 HB3 0.15 0.20 0.39 -0.04 3.20 3.91 2oq2D1 HIS 43 HD2 0.03 0.03 -0.19 -0.04 6.97 6.79 2oq2D1 HIS 43 HE1 0.02 -0.04 0.04 -0.04 7.75 7.72 2oq2D1 LEU 44 H 0.09 0.12 -0.09 -0.55 8.37 7.94 2oq2D1 LEU 44 HA 0.05 0.19 0.78 -0.75 4.35 4.62 2oq2D1 LEU 44 HB2 0.03 0.12 -0.12 -0.04 1.64 1.63 2oq2D1 LEU 44 HB3 0.12 0.00 0.09 -0.04 1.64 1.82 2oq2D1 LEU 44 HG -0.10 -0.03 -0.31 -0.04 1.64 1.16 2oq2D1 LEU 44 HD13 -0.69 -0.01 -0.20 -0.04 0.93 -0.00 2oq2D1 LEU 44 HD23 -0.04 0.02 -0.22 -0.04 0.89 0.61 2oq2D1 PHE 45 H 0.18 0.65 0.42 -0.55 8.34 9.03 2oq2D1 PHE 45 HA 0.10 0.20 0.84 -0.75 4.62 5.01 2oq2D1 PHE 45 HB2 0.01 -0.02 -0.00 -0.04 3.15 3.10 2oq2D1 PHE 45 HB3 0.07 0.01 -0.02 -0.04 3.06 3.07 2oq2D1 PHE 45 HD2 0.06 -0.01 -0.45 -0.04 7.28 6.84 2oq2D1 PHE 45 HE2 -0.04 0.00 -0.12 -0.04 7.38 7.19 2oq2D1 PHE 45 HZ 0.01 0.07 -0.02 -0.04 7.32 7.33 2oq2D1 GLN 46 H 0.26 0.69 0.31 -0.55 8.47 9.19 2oq2D1 GLN 46 HA 0.22 0.02 0.96 -0.75 4.36 4.81 2oq2D1 GLN 46 HB2 0.32 0.04 -0.00 -0.04 2.15 2.47 2oq2D1 GLN 46 HB3 0.18 0.02 0.04 -0.04 2.02 2.22 2oq2D1 GLN 46 HG2 0.08 0.01 -0.32 -0.04 2.40 2.13 2oq2D1 GLN 46 HG3 0.17 -0.03 -0.00 -0.04 2.39 2.49 2oq2D1 GLN 46 HE21 -0.06 0.19 -0.00 -0.04 6.97 7.06 2oq2D1 GLN 46 HE22 -0.02 -0.08 -0.09 -0.04 7.69 7.47 2oq2D1 THR 47 H 0.12 0.69 0.30 -0.55 8.28 8.84 2oq2D1 THR 47 HA 0.08 0.28 1.06 -0.75 4.39 5.06 2oq2D1 THR 47 HB 0.06 -0.05 0.04 -0.04 4.32 4.33 2oq2D1 THR 47 HG23 0.14 0.01 -0.10 -0.04 1.22 1.22 2oq2D1 THR 48 H -0.01 0.73 0.32 -0.55 8.28 8.77 2oq2D1 THR 48 HA -0.02 0.02 0.69 -0.75 4.39 4.32 2oq2D1 THR 48 HB -0.14 0.17 -0.25 -0.04 4.32 4.06 2oq2D1 THR 48 HG23 -0.82 0.04 -0.19 -0.04 1.22 0.21 2oq2D1 ALA 49 H 0.03 0.08 0.15 -0.55 8.40 8.11 2oq2D1 ALA 49 HA 0.41 0.27 0.78 -0.75 4.34 5.04 2oq2D1 ALA 49 HB3 0.21 0.01 0.14 -0.04 1.41 1.74 2oq2D1 PHE 50 H -0.38 0.07 -0.17 -0.55 8.34 7.30 2oq2D1 PHE 50 HA 0.04 0.08 0.20 -0.75 4.62 4.18 2oq2D1 PHE 50 HB2 -0.06 0.12 -0.01 -0.04 3.15 3.16 2oq2D1 PHE 50 HB3 -0.02 0.02 0.06 -0.04 3.06 3.08 2oq2D1 PHE 50 HD2 -0.30 0.03 -0.26 -0.04 7.28 6.71 2oq2D1 PHE 50 HE2 -0.81 0.04 -0.13 -0.04 7.38 6.44 2oq2D1 PHE 50 HZ -0.25 0.06 -0.11 -0.04 7.32 6.98 2oq2D1 GLY 51 H 0.11 -0.12 -0.29 -0.55 8.43 7.58 2oq2D1 GLY 51 HA2 0.16 0.17 0.63 -0.51 4.01 4.46 2oq2D1 GLY 51 HA3 0.13 0.01 0.32 -0.51 4.01 3.96 2oq2D1 LEU 52 H 0.15 0.25 0.17 -0.55 8.37 8.40 2oq2D1 LEU 52 HA 0.09 0.15 0.26 -0.75 4.35 4.10 2oq2D1 LEU 52 HB2 0.13 0.03 0.18 -0.04 1.64 1.94 2oq2D1 LEU 52 HB3 -0.07 0.03 -0.10 -0.04 1.64 1.46 2oq2D1 LEU 52 HG 0.09 0.03 0.07 -0.04 1.64 1.79 2oq2D1 LEU 52 HD13 -0.28 0.02 -0.06 -0.04 0.93 0.57 2oq2D1 LEU 52 HD23 0.03 0.01 0.00 -0.04 0.89 0.89 2oq2D1 THR 53 H 0.09 0.08 -0.18 -0.55 8.28 7.72 2oq2D1 THR 53 HA 0.01 0.11 0.41 -0.75 4.39 4.16 2oq2D1 THR 53 HB 0.06 -0.01 0.12 -0.04 4.32 4.45 2oq2D1 THR 53 HG23 -0.01 0.03 -0.19 -0.04 1.22 1.01 2oq2D1 GLY 54 H 0.03 0.06 -0.19 -0.55 8.43 7.79 2oq2D1 GLY 54 HA2 -0.05 0.10 0.33 -0.51 4.01 3.88 2oq2D1 GLY 54 HA3 -0.02 -0.03 0.27 -0.51 4.01 3.72 2oq2D1 LEU 55 H 0.04 0.40 -0.30 -0.55 8.37 7.96 2oq2D1 LEU 55 HA 0.05 0.05 0.46 -0.75 4.35 4.15 2oq2D1 LEU 55 HB2 0.10 0.08 0.02 -0.04 1.64 1.80 2oq2D1 LEU 55 HB3 0.13 0.11 -0.07 -0.04 1.64 1.77 2oq2D1 LEU 55 HG 0.17 -0.00 -0.26 -0.04 1.64 1.50 2oq2D1 LEU 55 HD13 0.19 0.07 -0.03 -0.04 0.93 1.12 2oq2D1 LEU 55 HD23 0.28 0.01 -0.07 -0.04 0.89 1.08 2oq2D1 VAL 56 H -0.03 0.41 -0.20 -0.55 8.24 7.87 2oq2D1 VAL 56 HA -0.04 0.09 0.49 -0.75 4.13 3.91 2oq2D1 VAL 56 HB -0.19 0.18 0.18 -0.04 2.12 2.24 2oq2D1 VAL 56 HG13 -0.84 -0.02 -0.13 -0.04 0.97 -0.06 2oq2D1 VAL 56 HG23 0.09 0.03 0.07 -0.04 0.95 1.09 2oq2D1 THR 57 H -0.19 0.33 -0.17 -0.55 8.28 7.71 2oq2D1 THR 57 HA -0.34 -0.01 0.35 -0.75 4.39 3.63 2oq2D1 THR 57 HB -0.16 0.13 0.06 -0.04 4.32 4.31 2oq2D1 THR 57 HG23 -0.42 -0.00 -0.07 -0.04 1.22 0.69 2oq2D1 ILE 58 H -0.14 0.48 -0.18 -0.55 8.25 7.86 2oq2D1 ILE 58 HA -0.16 0.05 0.40 -0.75 4.18 3.72 2oq2D1 ILE 58 HB -0.17 0.09 0.12 -0.04 1.89 1.89 2oq2D1 ILE 58 HG12 0.10 0.03 -0.05 -0.04 1.49 1.52 2oq2D1 ILE 58 HG13 -0.03 0.11 0.00 -0.04 1.21 1.25 2oq2D1 ILE 58 HG23 -0.47 0.01 -0.16 -0.04 0.93 0.27 2oq2D1 ILE 58 HD13 0.13 -0.04 -0.12 -0.04 0.88 0.80 2oq2D1 ASP 59 H -0.19 0.45 -0.21 -0.55 8.40 7.90 2oq2D1 ASP 59 HA -0.25 0.07 0.49 -0.75 4.63 4.20 2oq2D1 ASP 59 HB2 0.09 0.05 0.10 -0.04 2.71 2.91 2oq2D1 ASP 59 HB3 0.24 0.02 0.11 -0.04 2.70 3.03 2oq2D1 MET 60 H -0.15 0.64 -0.05 -0.55 8.47 8.36 2oq2D1 MET 60 HA -0.00 0.01 0.48 -0.75 4.52 4.25 2oq2D1 MET 60 HB2 -0.29 0.09 0.13 -0.04 2.15 2.03 2oq2D1 MET 60 HB3 -0.21 -0.07 -0.05 -0.04 2.03 1.66 2oq2D1 MET 60 HG2 -0.16 -0.04 -0.01 -0.04 2.63 2.38 2oq2D1 MET 60 HG3 -0.48 0.13 -0.01 -0.04 2.56 2.15 2oq2D1 MET 60 HE3 -0.89 -0.02 -0.06 -0.04 2.10 1.10 2oq2D1 LEU 61 H -0.20 0.72 -0.12 -0.55 8.37 8.22 2oq2D1 LEU 61 HA -0.14 -0.01 0.49 -0.75 4.35 3.94 2oq2D1 LEU 61 HB2 -0.17 0.08 0.17 -0.04 1.64 1.68 2oq2D1 LEU 61 HB3 -0.12 0.04 0.02 -0.04 1.64 1.53 2oq2D1 LEU 61 HG -0.35 -0.02 0.02 -0.04 1.64 1.25 2oq2D1 LEU 61 HD13 -0.13 -0.02 -0.10 -0.04 0.93 0.64 2oq2D1 LEU 61 HD23 -0.20 -0.00 0.01 -0.04 0.89 0.66 2oq2D1 SER 62 H -0.14 0.53 -0.15 -0.55 8.46 8.15 2oq2D1 SER 62 HA -0.05 0.05 0.39 -0.75 4.49 4.12 2oq2D1 SER 62 HB2 -0.05 0.06 0.15 -0.04 3.95 4.07 2oq2D1 SER 62 HB3 0.07 0.09 0.18 -0.04 3.93 4.23 2oq2D1 LYS 63 H 0.00 0.42 -0.24 -0.55 8.42 8.05 2oq2D1 LYS 63 HA 0.02 0.06 0.50 -0.75 4.32 4.14 2oq2D1 LYS 63 HB2 0.04 0.06 0.13 -0.04 1.87 2.05 2oq2D1 LYS 63 HB3 0.03 -0.08 0.06 -0.04 1.79 1.76 2oq2D1 LYS 63 HG2 0.05 -0.03 0.01 -0.04 1.46 1.45 2oq2D1 LYS 63 HG3 0.08 0.19 0.07 -0.04 1.46 1.75 2oq2D1 LYS 63 HD2 0.12 -0.03 -0.07 -0.04 1.69 1.67 2oq2D1 LYS 63 HD3 0.06 -0.07 -0.01 -0.04 1.68 1.62 2oq2D1 LYS 63 HE2 0.03 -0.03 -0.01 -0.04 2.99 2.94 2oq2D1 LYS 63 HE3 0.09 0.05 -0.02 -0.04 2.99 3.07 2oq2D1 LEU 64 H -0.02 0.44 -0.19 -0.55 8.37 8.06 2oq2D1 LEU 64 HA 0.04 0.04 0.72 -0.75 4.35 4.39 2oq2D1 LEU 64 HB2 -0.01 0.13 0.13 -0.04 1.64 1.85 2oq2D1 LEU 64 HB3 0.18 -0.07 0.10 -0.04 1.64 1.81 2oq2D1 LEU 64 HG 0.01 0.05 0.01 -0.04 1.64 1.66 2oq2D1 LEU 64 HD13 -0.07 -0.03 -0.06 -0.04 0.93 0.74 2oq2D1 LEU 64 HD23 0.11 -0.03 0.01 -0.04 0.89 0.94 2oq2D1 SER 65 H -0.01 0.36 -0.45 -0.55 8.46 7.81 2oq2D1 SER 65 HA 0.02 0.02 0.07 -0.75 4.49 3.84 2oq2D1 SER 65 HB2 0.01 -0.15 -0.23 -0.04 3.95 3.54 2oq2D1 SER 65 HB3 -0.03 0.13 -0.08 -0.04 3.93 3.91 2oq2D1 GLU 66 H -0.01 0.18 -0.43 -0.55 8.60 7.79 2oq2D1 GLU 66 HA -0.01 0.08 0.41 -0.75 4.29 4.02 2oq2D1 LYS 67 H -0.10 0.12 -0.20 -0.55 8.42 7.68 2oq2D1 LYS 67 HA -0.17 0.06 0.58 -0.75 4.32 4.04 2oq2D1 LYS 67 HB2 -0.24 -0.07 0.08 -0.04 1.87 1.60 2oq2D1 LYS 67 HB3 -0.59 0.07 0.12 -0.04 1.79 1.34 2oq2D1 LYS 67 HG2 -0.70 0.05 -0.11 -0.04 1.46 0.65 2oq2D1 LYS 67 HG3 -0.28 -0.04 0.04 -0.04 1.46 1.14 2oq2D1 LYS 67 HD2 -0.26 -0.04 0.01 -0.04 1.69 1.36 2oq2D1 LYS 67 HD3 -0.89 0.01 -0.02 -0.04 1.68 0.73 2oq2D1 LYS 67 HE2 -0.22 0.02 -0.02 -0.04 2.99 2.72 2oq2D1 LYS 67 HE3 -0.15 -0.01 -0.00 -0.04 2.99 2.78 2oq2D1 TYR 68 H -0.04 0.37 -0.08 -0.55 8.29 7.99 2oq2D1 TYR 68 HA 0.06 0.13 0.70 -0.75 4.56 4.71 2oq2D1 TYR 68 HB2 -0.15 0.06 0.16 -0.04 3.06 3.09 2oq2D1 TYR 68 HB3 -0.09 0.01 0.07 -0.04 2.98 2.93 2oq2D1 TYR 68 HD2 -0.03 0.09 -0.01 -0.04 7.15 7.17 2oq2D1 TYR 68 HE2 -0.02 -0.05 -0.01 -0.04 6.85 6.73 2oq2D1 TYR 69 H -0.07 0.23 0.16 -0.55 8.29 8.06 2oq2D1 TYR 69 HA 0.03 0.21 0.48 -0.75 4.56 4.53 2oq2D1 TYR 69 HB2 0.00 0.00 0.04 -0.04 3.06 3.07 2oq2D1 TYR 69 HB3 0.02 0.10 -0.01 -0.04 2.98 3.05 2oq2D1 TYR 69 HD2 0.01 0.02 -0.36 -0.04 7.15 6.78 2oq2D1 TYR 69 HE2 -0.06 0.06 -0.04 -0.04 6.85 6.76 2oq2D1 MET 70 H 0.12 0.18 0.09 -0.55 8.47 8.31 2oq2D1 MET 70 HA -0.04 0.18 0.86 -0.75 4.52 4.76 2oq2D1 MET 70 HB2 0.01 -0.00 0.13 -0.04 2.15 2.25 2oq2D1 MET 70 HB3 0.00 0.01 -0.06 -0.04 2.03 1.94 2oq2D1 MET 70 HG2 -0.06 0.01 -0.08 -0.04 2.63 2.46 2oq2D1 MET 70 HG3 -0.12 0.06 -0.01 -0.04 2.56 2.45 2oq2D1 MET 70 HE3 -0.60 -0.02 -0.07 -0.04 2.10 1.36 2oq2D1 PRO 71 HA 0.08 0.07 0.62 -0.51 4.44 4.70 2oq2D1 PRO 71 HB2 0.15 -0.10 -0.11 -0.04 2.28 2.18 2oq2D1 PRO 71 HB3 0.08 0.23 -0.09 -0.04 2.02 2.19 2oq2D1 PRO 71 HG2 0.15 -0.06 -0.03 -0.04 2.03 2.04 2oq2D1 PRO 71 HG3 -0.13 0.08 -0.03 -0.04 2.03 1.91 2oq2D1 PRO 71 HD2 -0.04 -0.01 0.15 -0.04 3.68 3.74 2oq2D1 PRO 71 HD3 -0.23 0.44 0.12 -0.04 3.65 3.94 2oq2D1 GLU 72 H -0.26 0.14 0.23 -0.55 8.60 8.18 2oq2D1 GLU 72 HA 0.19 0.09 0.46 -0.75 4.29 4.27 2oq2D1 GLU 72 HB2 -0.45 -0.02 0.06 -0.04 2.09 1.63 2oq2D1 GLU 72 HB3 0.32 -0.02 0.16 -0.04 1.99 2.40 2oq2D1 GLU 72 HG2 0.04 0.09 0.09 -0.04 2.34 2.52 2oq2D1 GLU 72 HG3 -0.27 0.01 0.17 -0.04 2.34 2.21 2oq2D1 LEU 73 H 0.17 0.15 0.23 -0.55 8.37 8.38 2oq2D1 LEU 73 HA 0.19 0.23 0.93 -0.75 4.35 4.95 2oq2D1 LEU 73 HB2 -0.00 0.10 -0.06 -0.04 1.64 1.64 2oq2D1 LEU 73 HB3 -0.28 -0.10 0.07 -0.04 1.64 1.30 2oq2D1 LEU 73 HG -0.03 0.01 -0.25 -0.04 1.64 1.33 2oq2D1 LEU 73 HD13 0.05 0.01 -0.17 -0.04 0.93 0.78 2oq2D1 LEU 73 HD23 -0.15 -0.03 -0.15 -0.04 0.89 0.53 2oq2D1 LEU 74 H 0.16 0.78 0.44 -0.55 8.37 9.20 2oq2D1 LEU 74 HA 0.21 0.26 1.05 -0.75 4.35 5.12 2oq2D1 LEU 74 HB2 0.08 0.06 -0.08 -0.04 1.64 1.65 2oq2D1 LEU 74 HB3 0.09 -0.00 0.14 -0.04 1.64 1.82 2oq2D1 LEU 74 HG -0.05 -0.12 -0.33 -0.04 1.64 1.09 2oq2D1 LEU 74 HD13 -0.08 0.03 -0.15 -0.04 0.93 0.68 2oq2D1 LEU 74 HD23 -0.25 0.00 -0.12 -0.04 0.89 0.48 2oq2D1 PHE 75 H 0.25 0.83 0.29 -0.55 8.34 9.15 2oq2D1 PHE 75 HA -0.04 0.21 0.99 -0.75 4.62 5.03 2oq2D1 PHE 75 HB2 0.01 -0.02 -0.07 -0.04 3.15 3.04 2oq2D1 PHE 75 HB3 0.11 0.07 0.08 -0.04 3.06 3.28 2oq2D1 PHE 75 HD2 0.00 0.19 0.02 -0.04 7.28 7.45 2oq2D1 PHE 75 HE2 -0.05 -0.06 -0.07 -0.04 7.38 7.16 2oq2D1 PHE 75 HZ -0.84 -0.13 -0.11 -0.04 7.32 6.20 2oq2D1 ILE 76 H -0.29 0.16 0.09 -0.55 8.25 7.67 2oq2D1 ILE 76 HA -0.18 0.26 0.92 -0.75 4.18 4.43 2oq2D1 ILE 76 HB -0.20 -0.11 0.13 -0.04 1.89 1.67 2oq2D1 ILE 76 HG12 -0.15 -0.05 -0.12 -0.04 1.49 1.13 2oq2D1 ILE 76 HG13 -0.19 0.03 -0.05 -0.04 1.21 0.96 2oq2D1 ILE 76 HG23 -0.16 -0.00 -0.15 -0.04 0.93 0.57 2oq2D1 ILE 76 HD13 -0.17 0.01 -0.29 -0.04 0.88 0.38 2oq2D1 ASP 77 H -0.18 0.58 0.16 -0.55 8.40 8.41 2oq2D1 ASP 77 HA -0.04 -0.02 0.73 -0.75 4.63 4.54 2oq2D1 ASP 77 HB2 0.08 0.06 -0.00 -0.04 2.71 2.81 2oq2D1 ASP 77 HB3 0.02 0.11 0.09 -0.04 2.70 2.88 2oq2D1 THR 78 H -0.12 0.19 0.08 -0.55 8.28 7.88 2oq2D1 THR 78 HA -0.17 0.45 0.47 -0.75 4.39 4.39 2oq2D1 THR 78 HB -0.26 0.02 0.08 -0.04 4.32 4.11 2oq2D1 THR 78 HG23 -0.26 0.07 -0.07 -0.04 1.22 0.92 2oq2D1 LEU 79 H 0.03 0.02 -0.65 -0.55 8.37 7.23 2oq2D1 LEU 79 HA -0.00 0.01 0.19 -0.75 4.35 3.79 2oq2D1 LEU 79 HB2 -0.16 0.27 0.23 -0.04 1.64 1.94 2oq2D1 LEU 79 HB3 -0.12 -0.18 0.07 -0.04 1.64 1.37 2oq2D1 LEU 79 HG 0.02 0.20 -0.33 -0.04 1.64 1.49 2oq2D1 LEU 79 HD13 0.18 0.04 -0.16 -0.04 0.93 0.94 2oq2D1 LEU 79 HD23 0.03 -0.05 -0.29 -0.04 0.89 0.54 2oq2D1 HIS 80 H -0.10 -0.01 -0.59 -0.55 8.41 7.16 2oq2D1 HIS 80 HA 0.08 0.25 0.78 -0.75 4.63 4.99 2oq2D1 HIS 80 HB2 -0.22 0.00 -0.01 -0.04 3.26 2.99 2oq2D1 HIS 80 HB3 -0.63 -0.12 0.18 -0.04 3.20 2.59 2oq2D1 HIS 80 HD2 -0.08 -0.04 0.02 -0.04 6.97 6.82 2oq2D1 HIS 80 HE1 -1.14 0.06 -0.00 -0.04 7.75 6.63 2oq2D1 HIS 81 H 0.09 0.05 -0.12 -0.55 8.41 7.88 2oq2D1 HIS 81 HA 0.03 0.14 0.58 -0.75 4.63 4.62 2oq2D1 HIS 81 HB2 0.15 -0.01 -0.01 -0.04 3.26 3.35 2oq2D1 HIS 81 HB3 0.21 0.09 0.03 -0.04 3.20 3.48 2oq2D1 HIS 81 HD2 0.07 -0.09 0.09 -0.04 6.97 6.99 2oq2D1 HIS 81 HE1 0.08 0.05 0.02 -0.04 7.75 7.86 2oq2D1 PHE 82 H 0.36 0.25 0.16 -0.55 8.34 8.56 2oq2D1 PHE 82 HA 0.08 0.21 0.64 -0.75 4.62 4.80 2oq2D1 PHE 82 HB2 0.06 -0.04 0.16 -0.04 3.15 3.29 2oq2D1 PHE 82 HB3 -0.01 -0.16 0.07 -0.04 3.06 2.92 2oq2D1 PHE 82 HD2 0.00 0.05 0.03 -0.04 7.28 7.32 2oq2D1 PHE 82 HE2 -0.01 0.03 -0.08 -0.04 7.38 7.28 2oq2D1 PHE 82 HZ 0.05 0.22 0.01 -0.04 7.32 7.55 2oq2D1 PRO 83 HA 0.06 0.09 0.52 -0.51 4.44 4.59 2oq2D1 PRO 83 HB2 0.03 0.03 -0.00 -0.04 2.28 2.29 2oq2D1 PRO 83 HB3 0.01 0.08 0.09 -0.04 2.02 2.16 2oq2D1 PRO 83 HG2 -0.02 0.09 0.09 -0.04 2.03 2.15 2oq2D1 PRO 83 HG3 -0.03 0.08 0.09 -0.04 2.03 2.13 2oq2D1 PRO 83 HD2 0.12 0.08 0.24 -0.04 3.68 4.09 2oq2D1 PRO 83 HD3 -0.04 0.25 0.24 -0.04 3.65 4.07 2oq2D1 GLN 84 H 0.11 0.14 -0.26 -0.55 8.47 7.90 2oq2D1 GLN 84 HA -0.03 0.13 0.45 -0.75 4.36 4.16 2oq2D1 GLN 84 HB2 -0.08 -0.01 0.02 -0.04 2.15 2.05 2oq2D1 GLN 84 HB3 -0.08 -0.08 0.01 -0.04 2.02 1.82 2oq2D1 GLN 84 HG2 -0.11 0.01 -0.02 -0.04 2.40 2.24 2oq2D1 GLN 84 HG3 -0.04 0.06 0.00 -0.04 2.39 2.37 2oq2D1 GLN 84 HE21 0.00 0.07 0.01 -0.04 6.97 7.01 2oq2D1 GLN 84 HE22 -0.11 0.03 -0.03 -0.04 7.69 7.54 2oq2D1 THR 85 H 0.15 0.13 -0.24 -0.55 8.28 7.76 2oq2D1 THR 85 HA 0.01 0.07 0.40 -0.75 4.39 4.12 2oq2D1 THR 85 HB 0.20 0.11 0.10 -0.04 4.32 4.70 2oq2D1 THR 85 HG23 0.10 0.03 -0.08 -0.04 1.22 1.23 2oq2D1 LEU 86 H 0.04 0.34 -0.23 -0.55 8.37 7.97 2oq2D1 LEU 86 HA -0.16 0.07 0.36 -0.75 4.35 3.87 2oq2D1 LEU 86 HB2 0.02 0.08 0.06 -0.04 1.64 1.75 2oq2D1 LEU 86 HB3 -0.00 0.04 -0.01 -0.04 1.64 1.62 2oq2D1 LEU 86 HG 0.14 0.03 -0.09 -0.04 1.64 1.69 2oq2D1 LEU 86 HD13 0.10 -0.00 -0.07 -0.04 0.93 0.92 2oq2D1 LEU 86 HD23 0.20 -0.01 -0.09 -0.04 0.89 0.95 2oq2D1 THR 87 H -0.06 0.40 -0.19 -0.55 8.28 7.89 2oq2D1 THR 87 HA -0.09 0.07 0.48 -0.75 4.39 4.09 2oq2D1 THR 87 HB -0.07 0.02 0.12 -0.04 4.32 4.36 2oq2D1 THR 87 HG23 -0.07 0.00 -0.03 -0.04 1.22 1.08 2oq2D1 LEU 88 H -0.16 0.37 -0.32 -0.55 8.37 7.72 2oq2D1 LEU 88 HA -0.17 0.04 0.44 -0.75 4.35 3.91 2oq2D1 LEU 88 HB2 -0.12 -0.05 0.02 -0.04 1.64 1.45 2oq2D1 LEU 88 HB3 -0.21 0.23 0.14 -0.04 1.64 1.75 2oq2D1 LEU 88 HG -0.32 0.01 -0.28 -0.04 1.64 1.01 2oq2D1 LEU 88 HD13 -0.03 0.02 -0.25 -0.04 0.93 0.63 2oq2D1 LEU 88 HD23 0.07 -0.01 -0.06 -0.04 0.89 0.85 2oq2D1 LYS 89 H -0.53 0.34 -0.23 -0.55 8.42 7.45 2oq2D1 LYS 89 HA -1.40 0.01 0.37 -0.75 4.32 2.54 2oq2D1 LYS 89 HB2 -1.09 -0.02 0.03 -0.04 1.87 0.75 2oq2D1 LYS 89 HB3 -0.44 0.21 0.10 -0.04 1.79 1.61 2oq2D1 LYS 89 HG2 -0.27 -0.03 -0.15 -0.04 1.46 0.97 2oq2D1 LYS 89 HG3 -0.29 -0.02 -0.06 -0.04 1.46 1.05 2oq2D1 LYS 89 HD2 -0.04 -0.03 -0.09 -0.04 1.69 1.49 2oq2D1 LYS 89 HD3 -0.14 0.04 -0.06 -0.04 1.68 1.47 2oq2D1 LYS 89 HE2 -0.07 -0.02 -0.14 -0.04 2.99 2.72 2oq2D1 LYS 89 HE3 0.03 0.04 -0.10 -0.04 2.99 2.92 2oq2D1 ASN 90 H -0.23 0.27 -0.41 -0.55 8.53 7.61 2oq2D1 ASN 90 HA -0.10 0.04 0.48 -0.75 4.76 4.43 2oq2D1 ASN 90 HB2 -0.10 0.17 0.17 -0.04 2.88 3.08 2oq2D1 ASN 90 HB3 -0.07 -0.02 0.03 -0.04 2.79 2.69 2oq2D1 ASN 90 HD21 -0.05 -0.05 -0.05 -0.04 7.03 6.84 2oq2D1 ASN 90 HD22 -0.06 -0.03 0.04 -0.04 7.74 7.65 2oq2D1 GLU 91 H -0.13 0.49 -0.01 -0.55 8.60 8.40 2oq2D1 GLU 91 HA -0.06 0.03 0.46 -0.75 4.29 3.97 2oq2D1 GLU 91 HB2 -0.09 0.09 0.15 -0.04 2.09 2.19 2oq2D1 GLU 91 HB3 -0.06 -0.00 0.04 -0.04 1.99 1.93 2oq2D1 GLU 91 HG2 -0.07 -0.03 0.05 -0.04 2.34 2.25 2oq2D1 GLU 91 HG3 -0.10 0.30 0.13 -0.04 2.34 2.63 2oq2D1 ILE 92 H -0.13 0.62 -0.13 -0.55 8.25 8.06 2oq2D1 ILE 92 HA 0.21 0.05 0.34 -0.75 4.18 4.03 2oq2D1 ILE 92 HB -0.14 0.03 0.08 -0.04 1.89 1.82 2oq2D1 ILE 92 HG12 -0.08 0.17 -0.01 -0.04 1.49 1.53 2oq2D1 ILE 92 HG13 0.21 -0.09 -0.08 -0.04 1.21 1.20 2oq2D1 ILE 92 HG23 0.52 -0.01 -0.16 -0.04 0.93 1.24 2oq2D1 ILE 92 HD13 0.27 0.03 -0.05 -0.04 0.88 1.09 2oq2D1 GLU 93 H -0.03 0.61 -0.15 -0.55 8.60 8.49 2oq2D1 GLU 93 HA 0.21 -0.02 0.48 -0.75 4.29 4.21 2oq2D1 GLU 93 HB2 -0.04 0.16 0.19 -0.04 2.09 2.35 2oq2D1 GLU 93 HB3 -0.01 0.08 0.15 -0.04 1.99 2.17 2oq2D1 GLU 93 HG2 0.05 0.04 0.00 -0.04 2.34 2.38 2oq2D1 GLU 93 HG3 -0.00 -0.12 0.10 -0.04 2.34 2.28 2oq2D1 LYS 94 H 0.01 0.57 -0.12 -0.55 8.42 8.33 2oq2D1 LYS 94 HA 0.02 -0.01 0.53 -0.75 4.32 4.11 2oq2D1 LYS 95 H -0.01 0.54 -0.03 -0.55 8.42 8.36 2oq2D1 LYS 95 HA -0.15 0.06 0.54 -0.75 4.32 4.01 2oq2D1 LYS 95 HB2 -0.17 -0.05 0.10 -0.04 1.87 1.71 2oq2D1 LYS 95 HB3 -0.23 -0.02 0.12 -0.04 1.79 1.63 2oq2D1 LYS 95 HG2 -1.36 0.01 -0.16 -0.04 1.46 -0.09 2oq2D1 LYS 95 HG3 -0.41 -0.01 0.07 -0.04 1.46 1.08 2oq2D1 LYS 95 HD2 -0.19 -0.05 0.04 -0.04 1.69 1.45 2oq2D1 LYS 95 HD3 -0.21 -0.07 0.02 -0.04 1.68 1.38 2oq2D1 LYS 95 HE2 -0.07 0.17 0.15 -0.04 2.99 3.20 2oq2D1 LYS 95 HE3 -0.50 -0.04 0.02 -0.04 2.99 2.43 2oq2D1 TYR 96 H 0.16 0.44 -0.05 -0.55 8.29 8.29 2oq2D1 TYR 96 HA -0.09 0.24 0.89 -0.75 4.56 4.85 2oq2D1 TYR 96 HB2 0.02 0.05 0.04 -0.04 3.06 3.13 2oq2D1 TYR 96 HB3 -0.39 -0.00 -0.01 -0.04 2.98 2.53 2oq2D1 TYR 96 HD2 0.02 0.02 0.01 -0.04 7.15 7.15 2oq2D1 TYR 96 HE2 0.04 -0.01 -0.01 -0.04 6.85 6.83 2oq2D1 TYR 97 H 0.24 0.29 0.07 -0.55 8.29 8.35 2oq2D1 TYR 97 HA 0.08 0.22 0.84 -0.75 4.56 4.94 2oq2D1 TYR 97 HB2 0.07 -0.01 0.15 -0.04 3.06 3.23 2oq2D1 TYR 97 HB3 0.04 -0.00 -0.25 -0.04 2.98 2.73 2oq2D1 TYR 97 HD2 0.11 0.08 -0.14 -0.04 7.15 7.16 2oq2D1 TYR 97 HE2 0.09 0.05 -0.12 -0.04 6.85 6.83 2oq2D1 GLN 98 H 0.14 0.68 0.31 -0.55 8.47 9.06 2oq2D1 GLN 98 HA 0.06 0.07 0.54 -0.75 4.36 4.27 2oq2D1 GLN 98 HB2 0.05 -0.05 0.10 -0.04 2.15 2.21 2oq2D1 GLN 98 HB3 0.03 0.15 0.18 -0.04 2.02 2.34 2oq2D1 GLN 98 HG2 0.02 -0.04 0.06 -0.04 2.40 2.41 2oq2D1 GLN 98 HG3 0.01 -0.07 0.02 -0.04 2.39 2.31 2oq2D1 GLN 98 HE21 0.00 -0.01 -0.05 -0.04 6.97 6.87 2oq2D1 GLN 98 HE22 0.01 -0.04 -0.02 -0.04 7.69 7.59 2oq2D1 PRO 99 HA 0.00 0.02 0.45 -0.51 4.44 4.40 2oq2D1 PRO 99 HB2 -0.01 0.09 -0.16 -0.04 2.28 2.15 2oq2D1 PRO 99 HB3 -0.02 -0.04 0.07 -0.04 2.02 2.00 2oq2D1 PRO 99 HG2 -0.04 0.25 -0.15 -0.04 2.03 2.05 2oq2D1 PRO 99 HG3 -0.02 -0.01 0.02 -0.04 2.03 1.98 2oq2D1 PRO 99 HD2 0.02 0.01 -0.66 -0.04 3.68 3.01 2oq2D1 PRO 99 HD3 0.02 0.17 -0.00 -0.04 3.65 3.79 2oq2D1 LYS 100 H 0.04 0.45 -0.78 -0.55 8.42 7.57 2oq2D1 LYS 100 HA 0.02 0.16 0.83 -0.75 4.32 4.57 2oq2D1 LYS 100 HB2 0.01 0.08 0.10 -0.04 1.87 2.02 2oq2D1 LYS 100 HB3 0.02 -0.05 0.17 -0.04 1.79 1.90 2oq2D1 LYS 100 HG2 -0.00 -0.02 -0.06 -0.04 1.46 1.35 2oq2D1 LYS 100 HG3 -0.01 -0.06 -0.45 -0.04 1.46 0.89 2oq2D1 LYS 100 HD2 -0.10 0.17 0.08 -0.04 1.69 1.80 2oq2D1 LYS 100 HD3 -0.03 -0.09 0.01 -0.04 1.68 1.52 2oq2D1 LYS 100 HE2 -0.01 -0.03 -0.03 -0.04 2.99 2.87 2oq2D1 LYS 100 HE3 -0.02 -0.01 -0.05 -0.04 2.99 2.87 2oq2D1 ASN 101 H 0.03 0.25 -0.14 -0.55 8.53 8.13 2oq2D1 ASN 101 HA 0.03 0.00 0.31 -0.75 4.76 4.36 2oq2D1 ASN 101 HB2 0.03 0.11 0.05 -0.04 2.88 3.04 2oq2D1 ASN 101 HB3 0.03 -0.07 0.20 -0.04 2.79 2.91 2oq2D1 ASN 101 HD21 0.01 -0.03 -0.05 -0.04 7.03 6.93 2oq2D1 ASN 101 HD22 0.02 0.05 -0.13 -0.04 7.74 7.64 2oq2D1 GLN 102 H 0.08 0.43 -0.21 -0.55 8.47 8.22 2oq2D1 GLN 102 HA 0.06 0.12 0.91 -0.75 4.36 4.70 2oq2D1 GLN 102 HB2 0.19 0.11 0.00 -0.04 2.15 2.41 2oq2D1 GLN 102 HB3 0.24 -0.09 -0.14 -0.04 2.02 1.99 2oq2D1 GLN 102 HG2 0.09 -0.02 0.03 -0.04 2.40 2.46 2oq2D1 GLN 102 HG3 0.09 0.26 -0.15 -0.04 2.39 2.55 2oq2D1 GLN 102 HE21 0.10 0.39 -0.04 -0.04 6.97 7.38 2oq2D1 GLN 102 HE22 0.08 0.00 0.03 -0.04 7.69 7.76 2oq2D1 THR 103 H -0.02 0.22 0.11 -0.55 8.28 8.03 2oq2D1 THR 103 HA -0.00 0.10 0.74 -0.75 4.39 4.48 2oq2D1 THR 103 HB -0.09 0.01 -0.03 -0.04 4.32 4.16 2oq2D1 THR 103 HG23 -0.02 0.03 0.02 -0.04 1.22 1.20 2oq2D1 ILE 104 H -0.09 0.09 0.06 -0.55 8.25 7.76 2oq2D1 ILE 104 HA -0.23 0.07 0.65 -0.75 4.18 3.91 2oq2D1 ILE 104 HB -0.04 -0.05 0.05 -0.04 1.89 1.80 2oq2D1 ILE 104 HG12 -0.77 0.04 -0.05 -0.04 1.49 0.66 2oq2D1 ILE 104 HG13 -0.34 -0.02 -0.00 -0.04 1.21 0.81 2oq2D1 ILE 104 HG23 0.09 0.01 -0.26 -0.04 0.93 0.73 2oq2D1 ILE 104 HD13 0.03 -0.00 -0.08 -0.04 0.88 0.79 2oq2D1 HIS 105 H 0.03 0.42 0.32 -0.55 8.41 8.64 2oq2D1 HIS 105 HA 0.12 0.04 0.63 -0.75 4.63 4.67 2oq2D1 HIS 105 HB2 0.18 0.11 0.29 -0.04 3.26 3.81 2oq2D1 HIS 105 HB3 0.27 -0.04 0.02 -0.04 3.20 3.40 2oq2D1 HIS 105 HD2 0.29 -0.05 0.04 -0.04 6.97 7.20 2oq2D1 HIS 105 HE1 0.16 -0.00 0.01 -0.04 7.75 7.87 2oq2D1 VAL 106 H 0.15 0.24 0.18 -0.55 8.24 8.26 2oq2D1 VAL 106 HA 0.23 0.35 1.06 -0.75 4.13 5.02 2oq2D1 VAL 106 HB 0.08 -0.01 0.11 -0.04 2.12 2.26 2oq2D1 VAL 106 HG13 0.19 -0.02 -0.13 -0.04 0.97 0.96 2oq2D1 VAL 106 HG23 0.21 0.05 -0.24 -0.04 0.95 0.92 2oq2D1 TYR 107 H 0.16 0.48 0.28 -0.55 8.29 8.67 2oq2D1 TYR 107 HA -0.03 0.19 0.99 -0.75 4.56 4.96 2oq2D1 TYR 107 HB2 -0.12 -0.05 -0.03 -0.04 3.06 2.82 2oq2D1 TYR 107 HB3 -0.12 0.05 -0.09 -0.04 2.98 2.78 2oq2D1 TYR 107 HD2 -0.06 -0.05 -0.23 -0.04 7.15 6.77 2oq2D1 TYR 107 HE2 -0.06 0.00 -0.12 -0.04 6.85 6.63 2oq2D1 LYS 108 H -0.04 0.21 0.16 -0.55 8.42 8.19 2oq2D1 LYS 108 HA -0.01 0.32 0.89 -0.75 4.32 4.77 2oq2D1 LYS 108 HB2 -0.01 0.06 0.03 -0.04 1.87 1.91 2oq2D1 LYS 108 HB3 0.03 0.04 0.01 -0.04 1.79 1.84 2oq2D1 LYS 108 HG2 0.02 -0.02 -0.08 -0.04 1.46 1.34 2oq2D1 LYS 108 HG3 -0.01 -0.05 -0.28 -0.04 1.46 1.08 2oq2D1 LYS 108 HD2 0.00 0.09 0.03 -0.04 1.69 1.77 2oq2D1 LYS 108 HD3 0.03 -0.11 -0.15 -0.04 1.68 1.41 2oq2D1 LYS 108 HE2 0.05 -0.10 -0.08 -0.04 2.99 2.82 2oq2D1 LYS 108 HE3 0.02 0.03 -0.06 -0.04 2.99 2.94 2oq2D1 PRO 109 HA 0.02 0.04 0.55 -0.51 4.44 4.54 2oq2D1 PRO 109 HB2 0.30 -0.12 0.03 -0.04 2.28 2.45 2oq2D1 PRO 109 HB3 0.29 0.08 0.05 -0.04 2.02 2.40 2oq2D1 PRO 109 HG2 0.19 -0.05 0.02 -0.04 2.03 2.15 2oq2D1 PRO 109 HG3 0.05 0.14 0.19 -0.04 2.03 2.37 2oq2D1 PRO 109 HD2 0.05 -0.01 0.14 -0.04 3.68 3.82 2oq2D1 PRO 109 HD3 -0.03 0.29 0.20 -0.04 3.65 4.07 2oq2D1 ASP 110 H 0.02 0.08 0.17 -0.55 8.40 8.12 2oq2D1 ASP 110 HA 0.02 0.05 0.32 -0.75 4.63 4.27 2oq2D1 ASP 110 HB2 0.01 0.01 0.13 -0.04 2.71 2.83 2oq2D1 ASP 110 HB3 0.04 -0.01 0.09 -0.04 2.70 2.77 2oq2D1 GLY 111 H 0.01 0.14 0.11 -0.55 8.43 8.15 2oq2D1 GLY 111 HA2 -0.00 -0.01 0.36 -0.51 4.01 3.84 2oq2D1 GLY 111 HA3 0.00 0.10 0.49 -0.51 4.01 4.08 2oq2D1 CYS 112 H 0.06 0.57 -0.66 -0.55 8.50 7.92 2oq2D1 CYS 112 HA 0.03 -0.01 0.64 -0.75 4.58 4.49 2oq2D1 CYS 112 HB2 0.16 0.16 -0.02 -0.04 2.97 3.24 2oq2D1 CYS 112 HB3 0.14 -0.16 -0.00 -0.04 2.97 2.91 2oq2D1 GLU 113 H 0.03 0.00 0.20 -0.55 8.60 8.28 2oq2D1 GLU 113 HA 0.02 0.21 0.58 -0.75 4.29 4.34 2oq2D1 GLU 113 HB2 0.00 -0.01 0.17 -0.04 2.09 2.22 2oq2D1 GLU 113 HB3 -0.00 0.11 -0.07 -0.04 1.99 1.99 2oq2D1 GLU 113 HG2 0.00 0.04 -0.03 -0.04 2.34 2.31 2oq2D1 GLU 113 HG3 0.01 -0.06 -0.11 -0.04 2.34 2.14 2oq2D1 SER 114 H 0.05 0.11 0.22 -0.55 8.46 8.30 2oq2D1 SER 114 HA 0.02 0.21 0.50 -0.75 4.49 4.47 2oq2D1 GLU 115 H 0.00 0.24 0.18 -0.55 8.60 8.48 2oq2D1 GLU 115 HA -0.05 0.14 0.60 -0.75 4.29 4.23 2oq2D1 GLU 115 HB2 -0.14 0.40 0.27 -0.04 2.09 2.58 2oq2D1 GLU 115 HB3 -0.02 -0.05 0.23 -0.04 1.99 2.11 2oq2D1 GLU 115 HG2 0.02 0.02 0.02 -0.04 2.34 2.36 2oq2D1 GLU 115 HG3 0.03 -0.03 -0.34 -0.04 2.34 1.96 2oq2D1 ALA 116 H 0.03 0.11 -0.09 -0.55 8.40 7.90 2oq2D1 ALA 116 HA 0.04 0.10 0.42 -0.75 4.34 4.15 2oq2D1 ALA 116 HB3 0.02 0.04 0.05 -0.04 1.41 1.47 2oq2D1 ASP 117 H 0.05 0.09 -0.36 -0.55 8.40 7.64 2oq2D1 ASP 117 HA 0.00 0.13 0.57 -0.75 4.63 4.58 2oq2D1 ASP 117 HB2 0.06 0.02 0.23 -0.04 2.71 2.98 2oq2D1 ASP 117 HB3 0.01 0.14 0.06 -0.04 2.70 2.87 2oq2D1 PHE 118 H 0.23 0.33 -0.05 -0.55 8.34 8.30 2oq2D1 PHE 118 HA 0.15 0.08 0.50 -0.75 4.62 4.59 2oq2D1 PHE 118 HB2 0.15 0.01 0.15 -0.04 3.15 3.42 2oq2D1 PHE 118 HB3 0.19 0.10 0.16 -0.04 3.06 3.47 2oq2D1 PHE 118 HD2 0.29 0.04 -0.10 -0.04 7.28 7.47 2oq2D1 PHE 118 HE2 0.13 -0.05 -0.15 -0.04 7.38 7.27 2oq2D1 PHE 118 HZ -0.04 -0.05 -0.03 -0.04 7.32 7.15 2oq2D1 ALA 119 H 0.20 0.34 -0.19 -0.55 8.40 8.21 2oq2D1 ALA 119 HA 0.14 0.27 0.36 -0.75 4.34 4.35 2oq2D1 ALA 119 HB3 0.04 0.01 0.05 -0.04 1.41 1.47 2oq2D1 SER 120 H -0.01 0.32 -0.24 -0.55 8.46 7.99 2oq2D1 SER 120 HA -0.05 0.05 0.49 -0.75 4.49 4.24 2oq2D1 SER 120 HB2 -0.06 0.05 0.14 -0.04 3.95 4.03 2oq2D1 SER 120 HB3 -0.05 -0.02 0.05 -0.04 3.93 3.87 2oq2D1 LYS 121 H -0.21 0.39 -0.13 -0.55 8.42 7.91 2oq2D1 LYS 121 HA -0.31 0.07 0.52 -0.75 4.32 3.84 2oq2D1 LYS 121 HB2 -0.41 0.13 0.14 -0.04 1.87 1.69 2oq2D1 LYS 121 HB3 -1.39 0.00 0.03 -0.04 1.79 0.39 2oq2D1 LYS 121 HG2 -0.66 -0.01 0.03 -0.04 1.46 0.77 2oq2D1 LYS 121 HG3 -0.32 -0.03 0.03 -0.04 1.46 1.09 2oq2D1 LYS 121 HD2 -0.28 -0.01 -0.06 -0.04 1.69 1.30 2oq2D1 LYS 121 HD3 -0.68 -0.01 -0.04 -0.04 1.68 0.90 2oq2D1 LYS 121 HE2 -0.11 -0.03 -0.02 -0.04 2.99 2.78 2oq2D1 LYS 121 HE3 -0.03 0.08 -0.03 -0.04 2.99 2.97 2oq2D1 TYR 122 H -0.24 0.37 -0.10 -0.55 8.29 7.77 2oq2D1 TYR 122 HA -0.11 0.19 0.89 -0.75 4.56 4.77 2oq2D1 TYR 122 HB2 -0.49 0.14 -0.00 -0.04 3.06 2.67 2oq2D1 TYR 122 HB3 -0.19 -0.12 0.04 -0.04 2.98 2.68 2oq2D1 TYR 122 HD2 -0.89 0.04 -0.02 -0.04 7.15 6.23 2oq2D1 TYR 122 HE2 -0.20 -0.00 -0.05 -0.04 6.85 6.55 2oq2D1 GLY 123 H -0.03 0.27 -0.11 -0.55 8.43 8.01 2oq2D1 GLY 123 HA2 -0.03 0.14 0.42 -0.51 4.01 4.04 2oq2D1 GLY 123 HA3 -0.01 0.05 0.73 -0.51 4.01 4.27 2oq2D1 ASP 124 H -0.11 -0.26 0.16 -0.55 8.40 7.64 2oq2D1 ASP 124 HA -0.10 0.10 0.26 -0.75 4.63 4.13 2oq2D1 PHE 125 H -0.57 0.16 0.17 -0.55 8.34 7.55 2oq2D1 PHE 125 HA -1.48 0.02 0.37 -0.75 4.62 2.77 2oq2D1 PHE 125 HB2 -0.52 0.24 0.46 -0.04 3.15 3.29 2oq2D1 PHE 125 HB3 -1.17 -0.04 0.21 -0.04 3.06 2.02 2oq2D1 PHE 125 HD2 -0.06 0.05 -0.10 -0.04 7.28 7.13 2oq2D1 PHE 125 HE2 0.11 0.03 -0.03 -0.04 7.38 7.45 2oq2D1 PHE 125 HZ 0.07 0.02 -0.02 -0.04 7.32 7.35 2oq2D1 LEU 126 H -0.29 0.15 0.04 -0.55 8.37 7.72 2oq2D1 LEU 126 HA -0.13 0.15 0.01 -0.75 4.35 3.63 2oq2D1 LEU 126 HB2 0.33 0.02 -0.02 -0.04 1.64 1.92 2oq2D1 LEU 126 HB3 0.38 0.00 -0.11 -0.04 1.64 1.87 2oq2D1 LEU 126 HG 0.11 0.20 -0.19 -0.04 1.64 1.71 2oq2D1 LEU 126 HD13 0.17 0.00 -0.15 -0.04 0.93 0.91 2oq2D1 LEU 126 HD23 0.06 -0.01 -0.04 -0.04 0.89 0.86 2oq2D1 TRP 127 H -0.58 0.02 -0.26 -0.55 7.97 6.60 2oq2D1 TRP 127 HA -0.30 0.13 0.31 -0.75 4.62 4.02 2oq2D1 TRP 127 HB2 -0.47 0.08 -0.05 -0.04 3.23 2.75 2oq2D1 TRP 127 HB3 -1.58 -0.04 0.02 -0.04 3.23 1.58 2oq2D1 TRP 127 HD1 -0.25 0.11 -0.25 -0.04 7.22 6.79 2oq2D1 TRP 127 HE1 -0.17 0.10 -0.03 -0.04 10.20 10.07 2oq2D1 TRP 127 HE3 -1.21 0.01 -0.00 -0.04 7.59 6.35 2oq2D1 TRP 127 HZ2 0.18 0.09 0.02 -0.04 7.44 7.69 2oq2D1 TRP 127 HZ3 -0.11 0.05 0.04 -0.04 7.13 7.07 2oq2D1 TRP 127 HH2 0.22 0.05 0.03 -0.04 7.19 7.45 2oq2D1 GLU 128 H -1.13 0.17 -0.26 -0.55 8.60 6.83 2oq2D1 GLU 128 HA -0.08 0.10 0.49 -0.75 4.29 4.04 2oq2D1 LYS 129 H -0.27 0.23 -0.14 -0.55 8.42 7.68 2oq2D1 LYS 129 HA -0.07 0.08 0.39 -0.75 4.32 3.96 2oq2D1 ASP 130 H -0.04 0.69 -0.18 -0.55 8.40 8.32 2oq2D1 ASP 130 HA 0.02 0.09 0.72 -0.75 4.63 4.71 2oq2D1 ASP 130 HB2 0.02 0.12 -0.24 -0.04 2.71 2.56 2oq2D1 ASP 130 HB3 0.07 -0.09 0.08 -0.04 2.70 2.72 2oq2D1 ASP 131 H 0.06 0.22 0.07 -0.55 8.40 8.21 2oq2D1 ASP 131 HA 0.14 0.16 0.44 -0.75 4.63 4.62 2oq2D1 ASP 131 HB2 0.06 0.07 0.16 -0.04 2.71 2.96 2oq2D1 ASP 131 HB3 0.08 -0.04 0.11 -0.04 2.70 2.80 2oq2D1 ASP 132 H 0.09 0.12 -0.03 -0.55 8.40 8.03 2oq2D1 ASP 132 HA 0.26 0.10 0.34 -0.75 4.63 4.58 2oq2D1 ASP 132 HB2 0.07 -0.02 0.10 -0.04 2.71 2.82 2oq2D1 ASP 132 HB3 0.09 0.07 -0.00 -0.04 2.70 2.81 2oq2D1 LYS 133 H 0.12 0.10 -0.14 -0.55 8.42 7.95 2oq2D1 LYS 133 HA 0.15 0.07 0.34 -0.75 4.32 4.12 2oq2D1 TYR 134 H 0.25 0.45 -0.28 -0.55 8.29 8.16 2oq2D1 TYR 134 HA 0.15 0.04 0.38 -0.75 4.56 4.38 2oq2D1 TYR 134 HB2 0.12 -0.02 -0.26 -0.04 3.06 2.86 2oq2D1 TYR 134 HB3 0.11 0.22 0.01 -0.04 2.98 3.28 2oq2D1 TYR 134 HD2 0.13 0.06 -0.11 -0.04 7.15 7.19 2oq2D1 TYR 134 HE2 -0.56 0.02 -0.04 -0.04 6.85 6.23 2oq2D1 ASP 135 H 0.22 0.44 -0.18 -0.55 8.40 8.33 2oq2D1 ASP 135 HA -0.12 -0.02 0.45 -0.75 4.63 4.18 2oq2D1 TYR 136 H 0.10 0.65 -0.09 -0.55 8.29 8.39 2oq2D1 TYR 136 HA -0.67 -0.07 0.45 -0.75 4.56 3.52 2oq2D1 TYR 136 HB2 -0.18 0.03 0.08 -0.04 3.06 2.95 2oq2D1 TYR 136 HB3 -0.07 0.11 0.15 -0.04 2.98 3.14 2oq2D1 TYR 136 HD2 -0.27 0.02 -0.05 -0.04 7.15 6.81 2oq2D1 TYR 136 HE2 -0.10 0.05 -0.06 -0.04 6.85 6.71 2oq2D1 LEU 137 H -0.06 0.62 -0.03 -0.55 8.37 8.35 2oq2D1 LEU 137 HA -0.36 0.02 0.37 -0.75 4.35 3.63 2oq2D1 LEU 137 HB2 -0.06 0.02 0.12 -0.04 1.64 1.68 2oq2D1 LEU 137 HB3 -0.28 -0.01 0.02 -0.04 1.64 1.33 2oq2D1 LEU 137 HG -0.01 0.03 0.08 -0.04 1.64 1.70 2oq2D1 LEU 137 HD13 -0.83 -0.01 -0.06 -0.04 0.93 -0.01 2oq2D1 LEU 137 HD23 -0.22 -0.00 -0.01 -0.04 0.89 0.61 2oq2D1 ALA 138 H -0.34 0.59 -0.09 -0.55 8.40 8.02 2oq2D1 ALA 138 HA -0.16 0.12 0.57 -0.75 4.34 4.12 2oq2D1 ALA 138 HB3 -0.81 -0.04 0.12 -0.04 1.41 0.64 2oq2D1 LYS 139 H -0.33 0.29 -0.25 -0.55 8.42 7.58 2oq2D1 LYS 139 HA -0.22 0.18 0.84 -0.75 4.32 4.37 2oq2D1 VAL 140 H -0.38 0.40 0.20 -0.55 8.24 7.91 2oq2D1 VAL 140 HA -0.23 0.02 0.32 -0.75 4.13 3.49 2oq2D1 VAL 140 HB -0.54 -0.01 0.18 -0.04 2.12 1.71 2oq2D1 VAL 140 HG13 -0.13 0.02 -0.13 -0.04 0.97 0.69 2oq2D1 VAL 140 HG23 -0.77 0.04 -0.32 -0.04 0.95 -0.14 2oq2D1 GLU 141 H -0.72 0.72 0.10 -0.55 8.60 8.16 2oq2D1 GLU 141 HA -0.31 0.02 0.37 -0.75 4.29 3.61 2oq2D1 GLU 141 HB2 -1.34 -0.01 0.04 -0.04 2.09 0.73 2oq2D1 GLU 141 HB3 -0.46 0.12 0.07 -0.04 1.99 1.69 2oq2D1 GLU 141 HG2 -0.15 -0.02 0.01 -0.04 2.34 2.14 2oq2D1 GLU 141 HG3 -0.20 0.00 -0.01 -0.04 2.34 2.09 2oq2D1 PRO 142 HA -0.06 0.06 0.34 -0.51 4.44 4.28 2oq2D1 PRO 142 HB2 -0.13 0.04 -0.24 -0.04 2.28 1.90 2oq2D1 PRO 142 HB3 -0.02 0.03 -0.46 -0.04 2.02 1.53 2oq2D1 PRO 142 HG2 -0.13 0.27 -0.41 -0.04 2.03 1.72 2oq2D1 PRO 142 HG3 -0.08 -0.05 -0.26 -0.04 2.03 1.60 2oq2D1 PRO 142 HD2 -0.27 -0.02 -0.79 -0.04 3.68 2.56 2oq2D1 PRO 142 HD3 -0.30 0.16 -0.13 -0.04 3.65 3.35 2oq2D1 ALA 143 H -0.25 0.48 -0.32 -0.55 8.40 7.76 2oq2D1 ALA 143 HA -0.55 -0.02 0.37 -0.75 4.34 3.39 2oq2D1 ALA 143 HB3 -0.30 0.02 0.06 -0.04 1.41 1.15 2oq2D1 HIS 144 H -0.14 0.68 -0.03 -0.55 8.41 8.37 2oq2D1 HIS 144 HA -0.05 0.02 0.39 -0.75 4.63 4.23 2oq2D1 HIS 144 HB2 -0.04 -0.01 0.07 -0.04 3.26 3.25 2oq2D1 HIS 144 HB3 -0.11 0.07 0.15 -0.04 3.20 3.26 2oq2D1 HIS 144 HD2 -0.02 -0.02 -0.18 -0.04 6.97 6.71 2oq2D1 HIS 144 HE1 0.04 0.25 0.04 -0.04 7.75 8.04 2oq2D1 ARG 145 H -0.11 0.65 -0.11 -0.55 8.46 8.34 2oq2D1 ARG 145 HA -0.12 0.00 0.45 -0.75 4.34 3.93 2oq2D1 ARG 145 HB2 -0.01 0.01 0.10 -0.04 1.90 1.96 2oq2D1 ARG 145 HB3 -0.04 0.11 0.11 -0.04 1.80 1.94 2oq2D1 ARG 145 HG2 0.13 0.00 -0.11 -0.04 1.67 1.65 2oq2D1 ARG 145 HG3 0.01 -0.03 0.06 -0.04 1.67 1.67 2oq2D1 ARG 145 HD2 0.07 -0.02 -0.00 -0.04 3.22 3.23 2oq2D1 ARG 145 HD3 0.04 -0.02 0.01 -0.04 3.22 3.20 2oq2D1 ALA 146 H -0.58 0.52 -0.24 -0.55 8.40 7.55 2oq2D1 ALA 146 HA -1.27 -0.02 0.42 -0.75 4.34 2.72 2oq2D1 ALA 146 HB3 -1.04 0.03 0.05 -0.04 1.41 0.41 2oq2D1 TYR 147 H -0.72 0.55 -0.08 -0.55 8.29 7.48 2oq2D1 TYR 147 HA -0.40 -0.03 0.29 -0.75 4.56 3.67 2oq2D1 TYR 147 HB2 -0.32 0.12 0.13 -0.04 3.06 2.96 2oq2D1 TYR 147 HB3 -0.24 0.11 0.02 -0.04 2.98 2.83 2oq2D1 TYR 147 HD2 -0.23 -0.01 -0.07 -0.04 7.15 6.79 2oq2D1 TYR 147 HE2 -0.11 -0.07 -0.15 -0.04 6.85 6.48 2oq2D1 LYS 148 H -0.28 0.38 -0.24 -0.55 8.42 7.73 2oq2D1 LYS 148 HA -0.15 0.05 0.50 -0.75 4.32 3.97 2oq2D1 LYS 148 HB2 -0.24 0.12 0.19 -0.04 1.87 1.90 2oq2D1 LYS 148 HB3 -0.13 -0.03 -0.01 -0.04 1.79 1.58 2oq2D1 LYS 148 HG2 -0.09 -0.06 0.01 -0.04 1.46 1.27 2oq2D1 LYS 148 HG3 -0.08 -0.04 0.05 -0.04 1.46 1.35 2oq2D1 LYS 148 HD2 -0.21 0.00 -0.06 -0.04 1.69 1.38 2oq2D1 LYS 148 HD3 -0.61 0.03 0.01 -0.04 1.68 1.06 2oq2D1 LYS 148 HE2 -0.00 -0.06 -0.02 -0.04 2.99 2.87 2oq2D1 LYS 148 HE3 -0.04 -0.05 -0.02 -0.04 2.99 2.84 2oq2D1 GLU 149 H -0.25 0.58 0.03 -0.55 8.60 8.41 2oq2D1 GLU 149 HA -0.26 0.04 0.47 -0.75 4.29 3.80 2oq2D1 GLU 149 HB2 -0.06 0.04 0.11 -0.04 2.09 2.14 2oq2D1 GLU 149 HB3 -0.03 -0.05 0.04 -0.04 1.99 1.91 2oq2D1 GLU 149 HG2 -0.04 -0.05 0.03 -0.04 2.34 2.25 2oq2D1 GLU 149 HG3 -0.06 0.18 0.12 -0.04 2.34 2.54 2oq2D1 LEU 150 H -0.36 0.57 -0.13 -0.55 8.37 7.91 2oq2D1 LEU 150 HA -0.20 0.09 0.63 -0.75 4.35 4.12 2oq2D1 LEU 150 HB2 -0.56 0.10 -0.03 -0.04 1.64 1.11 2oq2D1 LEU 150 HB3 -0.50 -0.04 0.04 -0.04 1.64 1.10 2oq2D1 LEU 150 HG -0.34 0.03 0.03 -0.04 1.64 1.31 2oq2D1 LEU 150 HD13 -0.43 -0.04 -0.09 -0.04 0.93 0.33 2oq2D1 LEU 150 HD23 -0.14 -0.01 -0.07 -0.04 0.89 0.63 2oq2D1 HIS 151 H -0.46 0.20 -0.58 -0.55 8.41 7.02 2oq2D1 HIS 151 HA -0.14 0.05 0.32 -0.75 4.63 4.10 2oq2D1 HIS 151 HB2 0.00 0.09 0.04 -0.04 3.26 3.35 2oq2D1 HIS 151 HB3 -0.21 -0.10 0.12 -0.04 3.20 2.98 2oq2D1 HIS 151 HD2 0.04 -0.02 -0.12 -0.04 6.97 6.82 2oq2D1 HIS 151 HE1 -0.02 -0.09 0.05 -0.04 7.75 7.64 2oq2D1 ILE 152 H -0.20 0.53 0.06 -0.55 8.25 8.09 2oq2D1 ILE 152 HA -0.04 0.18 0.70 -0.75 4.18 4.27 2oq2D1 ILE 152 HB -0.18 -0.07 0.02 -0.04 1.89 1.62 2oq2D1 ILE 152 HG12 -1.71 0.10 -0.25 -0.04 1.49 -0.40 2oq2D1 ILE 152 HG13 -0.58 0.00 -0.22 -0.04 1.21 0.37 2oq2D1 ILE 152 HG23 -0.12 -0.02 -0.17 -0.04 0.93 0.58 2oq2D1 ILE 152 HD13 -0.57 -0.04 -0.21 -0.04 0.88 0.01 2oq2D1 SER 153 H 0.07 0.53 0.39 -0.55 8.46 8.90 2oq2D1 SER 153 HA -0.09 0.21 1.03 -0.75 4.49 4.88 2oq2D1 SER 153 HB2 0.09 0.21 0.11 -0.04 3.95 4.31 2oq2D1 SER 153 HB3 0.00 -0.12 0.05 -0.04 3.93 3.82 2oq2D1 ALA 154 H -0.04 0.46 0.33 -0.55 8.40 8.60 2oq2D1 ALA 154 HA -0.29 0.21 0.98 -0.75 4.34 4.49 2oq2D1 ALA 154 HB3 -0.49 0.01 -0.08 -0.04 1.41 0.80 2oq2D1 VAL 155 H -0.26 0.60 0.34 -0.55 8.24 8.38 2oq2D1 VAL 155 HA -0.14 0.41 0.93 -0.75 4.13 4.58 2oq2D1 VAL 155 HB 0.03 -0.03 -0.09 -0.04 2.12 1.99 2oq2D1 VAL 155 HG13 -0.02 -0.01 -0.29 -0.04 0.97 0.61 2oq2D1 VAL 155 HG23 -0.09 -0.02 -0.14 -0.04 0.95 0.66 2oq2D1 PHE 156 H -0.09 0.58 0.43 -0.55 8.34 8.70 2oq2D1 PHE 156 HA -0.03 0.25 0.99 -0.75 4.62 5.08 2oq2D1 PHE 156 HB2 -0.01 -0.07 0.25 -0.04 3.15 3.28 2oq2D1 PHE 156 HB3 -0.04 -0.03 0.08 -0.04 3.06 3.04 2oq2D1 PHE 156 HD2 -0.03 0.01 -0.03 -0.04 7.28 7.19 2oq2D1 PHE 156 HE2 -0.05 0.03 -0.08 -0.04 7.38 7.23 2oq2D1 PHE 156 HZ -0.09 0.09 0.00 -0.04 7.32 7.29 2oq2D1 THR 157 H 0.13 0.68 0.45 -0.55 8.28 9.00 2oq2D1 THR 157 HA 0.10 0.28 0.89 -0.75 4.39 4.91 2oq2D1 THR 157 HB 0.14 -0.08 0.07 -0.04 4.32 4.41 2oq2D1 THR 157 HG23 0.08 0.06 -0.18 -0.04 1.22 1.13 2oq2D1 GLY 158 H 0.07 0.14 0.08 -0.55 8.43 8.18 2oq2D1 GLY 158 HA2 -0.00 0.20 0.46 -0.51 4.01 4.15 2oq2D1 GLY 158 HA3 0.03 -0.15 0.30 -0.51 4.01 3.68 2oq2D1 ARG 159 H 0.01 0.18 -0.47 -0.55 8.46 7.62 2oq2D1 ARG 159 HA -0.01 0.07 0.67 -0.75 4.34 4.31 2oq2D1 ARG 159 HB2 -0.05 0.04 -0.03 -0.04 1.90 1.82 2oq2D1 ARG 159 HB3 -0.07 0.10 -0.08 -0.04 1.80 1.71 2oq2D1 ARG 159 HG2 -0.29 0.03 -0.07 -0.04 1.67 1.30 2oq2D1 ARG 159 HG3 -0.15 -0.12 -0.17 -0.04 1.67 1.19 2oq2D1 ARG 159 HD2 -0.39 -0.04 -0.10 -0.04 3.22 2.64 2oq2D1 ARG 159 HD3 -0.08 0.03 -0.10 -0.04 3.22 3.02 2oq2D1 ARG 160 H 0.02 0.15 0.17 -0.55 8.46 8.25 2oq2D1 ARG 160 HA 0.03 0.21 0.79 -0.75 4.34 4.62 2oq2D1 ARG 160 HB2 0.09 -0.18 -0.02 -0.04 1.90 1.75 2oq2D1 ARG 160 HB3 0.09 0.20 0.11 -0.04 1.80 2.17 2oq2D1 ARG 160 HG2 0.05 0.16 -0.39 -0.04 1.67 1.45 2oq2D1 ARG 160 HG3 0.07 -0.08 -0.37 -0.04 1.67 1.25 2oq2D1 ARG 160 HD2 0.19 0.11 -0.04 -0.04 3.22 3.43 2oq2D1 ARG 160 HD3 0.13 -0.16 -0.11 -0.04 3.22 3.04 2oq2D1 LYS 161 H 0.04 0.73 0.31 -0.55 8.42 8.95 2oq2D1 LYS 161 HA 0.02 0.44 0.52 -0.75 4.32 4.54 2oq2D1 LYS 161 HB2 0.04 0.20 0.24 -0.04 1.87 2.31 2oq2D1 LYS 161 HB3 0.03 -0.07 -0.03 -0.04 1.79 1.68 2oq2D1 LYS 161 HG2 0.02 0.07 0.11 -0.04 1.46 1.63 2oq2D1 LYS 161 HG3 0.02 -0.02 0.02 -0.04 1.46 1.43 2oq2D1 LYS 161 HD2 0.03 -0.03 -0.04 -0.04 1.69 1.60 2oq2D1 LYS 161 HD3 0.02 -0.08 0.01 -0.04 1.68 1.59 2oq2D1 LYS 161 HE2 0.02 -0.08 0.01 -0.04 2.99 2.89 2oq2D1 LYS 161 HE3 0.01 0.17 0.08 -0.04 2.99 3.22 2oq2D1 SER 162 H 0.06 0.23 -0.12 -0.55 8.46 8.09 2oq2D1 SER 162 HA 0.03 0.12 0.39 -0.75 4.49 4.27 2oq2D1 SER 162 HB2 0.06 -0.07 0.16 -0.04 3.95 4.06 2oq2D1 SER 162 HB3 0.06 0.06 0.06 -0.04 3.93 4.07 2oq2D1 GLN 163 H 0.04 0.32 -0.82 -0.55 8.47 7.47 2oq2D1 GLN 163 HA 0.02 -0.00 0.57 -0.75 4.36 4.19 2oq2D1 GLN 163 HB2 0.02 0.30 0.09 -0.04 2.15 2.53 2oq2D1 GLN 163 HB3 0.02 -0.05 0.11 -0.04 2.02 2.05 2oq2D1 GLN 163 HG2 0.07 -0.03 -0.01 -0.04 2.40 2.39 2oq2D1 GLN 163 HG3 0.08 -0.04 -0.05 -0.04 2.39 2.33 2oq2D1 GLN 163 HE21 0.09 0.03 0.06 -0.04 6.97 7.12 2oq2D1 GLN 163 HE22 0.13 -0.02 0.01 -0.04 7.69 7.77 2oq2D1 GLY 164 H 0.02 0.38 -0.37 -0.55 8.43 7.91 2oq2D1 GLY 164 HA2 0.01 0.09 0.25 -0.51 4.01 3.85 2oq2D1 GLY 164 HA3 0.01 0.02 0.20 -0.51 4.01 3.73 2oq2D1 SER 165 H 0.01 0.12 0.13 -0.55 8.46 8.18 2oq2D1 SER 165 HA 0.01 0.08 0.36 -0.75 4.49 4.18 2oq2D1 ALA 166 H 0.02 0.19 0.21 -0.55 8.40 8.27 2oq2D1 ALA 166 HA 0.01 0.09 0.40 -0.75 4.34 4.10 2oq2D1 ALA 166 HB3 0.02 0.02 0.09 -0.04 1.41 1.51 2oq2D1 ARG 167 H 0.01 0.46 -0.36 -0.55 8.46 8.02 2oq2D1 ARG 167 HA -0.01 0.11 0.50 -0.75 4.34 4.19 2oq2D1 ARG 167 HB2 0.00 0.17 -0.06 -0.04 1.90 1.97 2oq2D1 ARG 167 HB3 -0.01 0.09 0.03 -0.04 1.80 1.88 2oq2D1 ARG 167 HG2 -0.06 0.00 -0.11 -0.04 1.67 1.46 2oq2D1 ARG 167 HG3 -0.02 -0.05 -0.09 -0.04 1.67 1.47 2oq2D1 ARG 167 HD2 -0.01 0.04 -0.01 -0.04 3.22 3.19 2oq2D1 ARG 167 HD3 -0.05 -0.11 0.00 -0.04 3.22 3.02 2oq2D1 SER 168 H 0.01 0.36 -0.45 -0.55 8.46 7.83 2oq2D1 SER 168 HA 0.01 0.13 0.65 -0.75 4.49 4.54 2oq2D1 SER 168 HB2 0.01 0.11 0.03 -0.04 3.95 4.06 2oq2D1 SER 168 HB3 0.01 -0.00 0.02 -0.04 3.93 3.92 2oq2D1 GLN 169 H 0.01 0.20 -0.36 -0.55 8.47 7.77 2oq2D1 GLN 169 HA 0.01 0.16 0.53 -0.75 4.36 4.31 2oq2D1 GLN 169 HB2 0.01 0.08 0.01 -0.04 2.15 2.20 2oq2D1 GLN 169 HB3 0.01 -0.02 0.10 -0.04 2.02 2.08 2oq2D1 GLN 169 HG2 0.01 -0.08 -0.08 -0.04 2.40 2.21 2oq2D1 GLN 169 HG3 0.01 -0.01 -0.01 -0.04 2.39 2.35 2oq2D1 GLN 169 HE21 0.01 -0.00 -0.07 -0.04 6.97 6.86 2oq2D1 GLN 169 HE22 0.01 -0.04 -0.14 -0.04 7.69 7.48 2oq2D1 LEU 170 H 0.01 0.19 -0.69 -0.55 8.37 7.33 2oq2D1 LEU 170 HA 0.01 -0.02 0.28 -0.75 4.35 3.87 2oq2D1 LEU 170 HB2 0.01 0.07 -0.06 -0.04 1.64 1.62 2oq2D1 LEU 170 HB3 0.01 0.10 -0.19 -0.04 1.64 1.52 2oq2D1 LEU 170 HG -0.01 -0.03 -0.04 -0.04 1.64 1.52 2oq2D1 LEU 170 HD13 -0.01 -0.04 -0.33 -0.04 0.93 0.50 2oq2D1 LEU 170 HD23 -0.02 -0.00 -0.10 -0.04 0.89 0.73 2oq2D1 SER 171 H 0.01 0.10 0.11 -0.55 8.46 8.13 2oq2D1 SER 171 HA 0.01 0.17 0.74 -0.75 4.49 4.66 2oq2D1 SER 171 HB2 0.02 0.08 0.01 -0.04 3.95 4.01 2oq2D1 SER 171 HB3 0.02 -0.08 0.14 -0.04 3.93 3.98 2oq2D1 ILE 172 H 0.01 0.16 0.11 -0.55 8.25 7.99 2oq2D1 ILE 172 HA 0.02 0.10 0.49 -0.75 4.18 4.04 2oq2D1 ILE 172 HB 0.00 -0.02 0.09 -0.04 1.89 1.93 2oq2D1 ILE 172 HG12 -0.01 0.00 -0.00 -0.04 1.49 1.44 2oq2D1 ILE 172 HG13 -0.00 -0.03 0.05 -0.04 1.21 1.18 2oq2D1 ILE 172 HG23 0.01 0.01 -0.13 -0.04 0.93 0.78 2oq2D1 ILE 172 HD13 -0.04 0.04 -0.13 -0.04 0.88 0.71 2oq2D1 ILE 173 H 0.06 0.09 -0.04 -0.55 8.25 7.82 2oq2D1 ILE 173 HA 0.06 0.35 1.06 -0.75 4.18 4.90 2oq2D1 ILE 173 HB 0.23 -0.03 0.02 -0.04 1.89 2.07 2oq2D1 ILE 173 HG12 0.12 -0.11 -0.19 -0.04 1.49 1.27 2oq2D1 ILE 173 HG13 0.34 0.01 -0.11 -0.04 1.21 1.42 2oq2D1 ILE 173 HG23 0.25 0.01 -0.10 -0.04 0.93 1.04 2oq2D1 ILE 173 HD13 0.20 0.06 -0.20 -0.04 0.88 0.90 2oq2D1 GLU 174 H 0.00 0.69 0.34 -0.55 8.60 9.09 2oq2D1 GLU 174 HA -0.02 0.13 0.79 -0.75 4.29 4.44 2oq2D1 GLU 174 HB2 -0.01 -0.02 -0.04 -0.04 2.09 1.97 2oq2D1 GLU 174 HB3 -0.01 0.00 0.05 -0.04 1.99 1.98 2oq2D1 GLU 174 HG2 0.01 0.05 -0.22 -0.04 2.34 2.13 2oq2D1 GLU 174 HG3 0.01 0.04 -0.61 -0.04 2.34 1.74 2oq2D1 ILE 175 H -0.11 0.20 0.15 -0.55 8.25 7.95 2oq2D1 ILE 175 HA -0.11 0.27 1.11 -0.75 4.18 4.68 2oq2D1 ILE 175 HB -0.50 -0.05 0.05 -0.04 1.89 1.34 2oq2D1 ILE 175 HG12 -0.18 -0.06 -0.50 -0.04 1.49 0.71 2oq2D1 ILE 175 HG13 -0.69 -0.02 -0.11 -0.04 1.21 0.34 2oq2D1 ILE 175 HG23 -0.12 -0.00 -0.26 -0.04 0.93 0.50 2oq2D1 ILE 175 HD13 -0.15 0.02 -0.14 -0.04 0.88 0.57 2oq2D1 ASP 176 H -0.08 0.88 0.17 -0.55 8.40 8.82 2oq2D1 ASP 176 HA 0.02 0.09 0.85 -0.75 4.63 4.83 2oq2D1 ASP 176 HB2 -0.02 0.05 -0.05 -0.04 2.71 2.65 2oq2D1 ASP 176 HB3 -0.09 0.07 0.12 -0.04 2.70 2.76 2oq2D1 GLU 177 H 0.08 0.22 -0.03 -0.55 8.60 8.32 2oq2D1 GLU 177 HA 0.08 0.18 0.31 -0.75 4.29 4.11 2oq2D1 GLU 177 HB2 0.25 -0.01 0.04 -0.04 2.09 2.34 2oq2D1 GLU 177 HB3 0.12 -0.02 0.07 -0.04 1.99 2.12 2oq2D1 GLU 177 HG2 0.09 0.04 -0.06 -0.04 2.34 2.38 2oq2D1 GLU 177 HG3 0.15 0.20 0.11 -0.04 2.34 2.76 2oq2D1 LEU 178 H 0.08 0.01 -0.10 -0.55 8.37 7.82 2oq2D1 LEU 178 HA 0.08 0.13 0.37 -0.75 4.35 4.17 2oq2D1 LEU 178 HB2 0.08 -0.11 0.05 -0.04 1.64 1.62 2oq2D1 LEU 178 HB3 0.10 0.01 -0.12 -0.04 1.64 1.59 2oq2D1 LEU 178 HG 0.05 -0.02 -0.01 -0.04 1.64 1.63 2oq2D1 LEU 178 HD13 0.06 -0.01 -0.24 -0.04 0.93 0.71 2oq2D1 LEU 178 HD23 0.04 0.02 0.00 -0.04 0.89 0.91 2oq2D1 ASN 179 H 0.08 -0.02 -0.35 -0.55 8.53 7.69 2oq2D1 ASN 179 HA 0.24 0.16 0.61 -0.75 4.76 5.02 2oq2D1 ASN 179 HB2 -0.03 -0.04 -0.01 -0.04 2.88 2.76 2oq2D1 ASN 179 HB3 -0.08 0.06 0.00 -0.04 2.79 2.73 2oq2D1 ASN 179 HD21 0.18 0.01 -0.05 -0.04 7.03 7.13 2oq2D1 ASN 179 HD22 0.11 -0.01 -0.05 -0.04 7.74 7.74 2oq2D1 GLY 180 H 0.03 0.10 -0.45 -0.55 8.43 7.56 2oq2D1 GLY 180 HA2 0.02 0.12 0.39 -0.51 4.01 4.02 2oq2D1 GLY 180 HA3 -0.02 0.01 0.37 -0.51 4.01 3.87 2oq2D1 ILE 181 H -0.12 0.36 -0.06 -0.55 8.25 7.88 2oq2D1 ILE 181 HA -0.16 0.40 1.07 -0.75 4.18 4.73 2oq2D1 ILE 181 HB -0.34 0.06 -0.26 -0.04 1.89 1.31 2oq2D1 ILE 181 HG12 -0.39 -0.07 -0.19 -0.04 1.49 0.81 2oq2D1 ILE 181 HG13 -0.26 -0.15 -0.34 -0.04 1.21 0.42 2oq2D1 ILE 181 HG23 -0.53 0.11 -0.40 -0.04 0.93 0.06 2oq2D1 ILE 181 HD13 -0.85 -0.00 -0.21 -0.04 0.88 -0.22 2oq2D1 LEU 182 H -0.21 0.89 0.41 -0.55 8.37 8.92 2oq2D1 LEU 182 HA -0.13 0.09 0.97 -0.75 4.35 4.53 2oq2D1 LEU 182 HB2 -0.16 0.01 0.07 -0.04 1.64 1.52 2oq2D1 LEU 182 HB3 -0.42 0.02 0.20 -0.04 1.64 1.40 2oq2D1 LEU 182 HG -0.09 0.11 0.07 -0.04 1.64 1.68 2oq2D1 LEU 182 HD13 0.11 -0.01 -0.09 -0.04 0.93 0.90 2oq2D1 LEU 182 HD23 -0.64 -0.02 -0.22 -0.04 0.89 -0.02 2oq2D1 LYS 183 H -0.10 0.73 0.28 -0.55 8.42 8.78 2oq2D1 LYS 183 HA -0.13 0.26 1.01 -0.75 4.32 4.71 2oq2D1 LYS 183 HB2 -0.03 -0.09 0.00 -0.04 1.87 1.71 2oq2D1 LYS 183 HB3 -0.01 -0.00 -0.08 -0.04 1.79 1.65 2oq2D1 LYS 183 HG2 -0.10 0.09 -0.20 -0.04 1.46 1.21 2oq2D1 LYS 183 HG3 -0.09 -0.05 -0.35 -0.04 1.46 0.93 2oq2D1 LYS 183 HD2 0.07 -0.04 -0.12 -0.04 1.69 1.56 2oq2D1 LYS 183 HD3 0.02 0.02 -0.13 -0.04 1.68 1.55 2oq2D1 LYS 183 HE2 -0.01 -0.05 -0.17 -0.04 2.99 2.72 2oq2D1 LYS 183 HE3 0.01 -0.04 -0.18 -0.04 2.99 2.75 2oq2D1 ILE 184 H -0.09 0.87 0.41 -0.55 8.25 8.89 2oq2D1 ILE 184 HA 0.03 0.26 1.02 -0.75 4.18 4.74 2oq2D1 ILE 184 HB -0.06 -0.04 0.06 -0.04 1.89 1.81 2oq2D1 ILE 184 HG12 -0.06 0.01 -0.14 -0.04 1.49 1.27 2oq2D1 ILE 184 HG13 -0.26 -0.10 -0.37 -0.04 1.21 0.43 2oq2D1 ILE 184 HG23 0.24 -0.01 -0.11 -0.04 0.93 1.01 2oq2D1 ILE 184 HD13 -0.51 0.01 -0.16 -0.04 0.88 0.18 2oq2D1 ASN 185 H 0.05 0.71 0.25 -0.55 8.53 9.00 2oq2D1 ASN 185 HA 0.05 0.20 1.03 -0.75 4.76 5.29 2oq2D1 ASN 185 HB2 0.01 0.04 0.23 -0.04 2.88 3.13 2oq2D1 ASN 185 HB3 0.01 0.10 0.10 -0.04 2.79 2.95 2oq2D1 ASN 185 HD21 0.01 -0.11 -0.19 -0.04 7.03 6.69 2oq2D1 ASN 185 HD22 0.01 0.47 0.01 -0.04 7.74 8.19 2oq2D1 PRO 186 HA -0.04 0.10 0.29 -0.51 4.44 4.29 2oq2D1 PRO 186 HB2 -0.25 -0.00 0.01 -0.04 2.28 2.00 2oq2D1 PRO 186 HB3 -0.06 0.06 0.01 -0.04 2.02 2.00 2oq2D1 PRO 186 HG2 -0.22 -0.03 0.05 -0.04 2.03 1.79 2oq2D1 PRO 186 HG3 -0.32 0.08 0.03 -0.04 2.03 1.78 2oq2D1 PRO 186 HD2 0.03 0.32 0.30 -0.04 3.68 4.30 2oq2D1 PRO 186 HD3 0.25 0.19 -0.14 -0.04 3.65 3.90 2oq2D1 LEU 187 H -0.13 0.22 -0.23 -0.55 8.37 7.69 2oq2D1 LEU 187 HA -0.38 0.15 0.81 -0.75 4.35 4.19 2oq2D1 LEU 187 HB2 -0.16 0.04 -0.00 -0.04 1.64 1.48 2oq2D1 LEU 187 HB3 -0.08 -0.04 0.13 -0.04 1.64 1.61 2oq2D1 LEU 187 HG -1.08 0.01 -0.02 -0.04 1.64 0.50 2oq2D1 LEU 187 HD13 -0.48 -0.00 -0.19 -0.04 0.93 0.22 2oq2D1 LEU 187 HD23 -0.27 0.01 -0.00 -0.04 0.89 0.58 2oq2D1 ILE 188 H -0.04 0.44 -0.41 -0.55 8.25 7.68 2oq2D1 ILE 188 HA 0.02 0.03 0.43 -0.75 4.18 3.91 2oq2D1 ILE 188 HB 0.01 0.18 0.09 -0.04 1.89 2.12 2oq2D1 ILE 188 HG12 0.03 -0.02 -0.25 -0.04 1.49 1.21 2oq2D1 ILE 188 HG13 0.02 -0.11 -0.07 -0.04 1.21 1.01 2oq2D1 ILE 188 HG23 0.00 0.00 -0.02 -0.04 0.93 0.87 2oq2D1 ILE 188 HD13 0.01 0.12 -0.50 -0.04 0.88 0.47 2oq2D1 ASN 189 H 0.07 0.13 -0.31 -0.55 8.53 7.87 2oq2D1 ASN 189 HA 0.09 0.15 0.69 -0.75 4.76 4.93 2oq2D1 ASN 189 HB2 0.12 0.04 0.00 -0.04 2.88 3.00 2oq2D1 ASN 189 HB3 0.10 0.01 0.11 -0.04 2.79 2.98 2oq2D1 ASN 189 HD21 0.02 0.02 -0.03 -0.04 7.03 7.00 2oq2D1 ASN 189 HD22 0.04 0.07 -0.03 -0.04 7.74 7.78 2oq2D1 TRP 190 H 0.29 0.31 -0.29 -0.55 7.97 7.73 2oq2D1 TRP 190 HA -0.01 0.07 0.74 -0.75 4.62 4.67 2oq2D1 TRP 190 HB2 -0.03 0.10 0.14 -0.04 3.23 3.40 2oq2D1 TRP 190 HB3 -0.03 0.01 -0.03 -0.04 3.23 3.13 2oq2D1 TRP 190 HD1 -0.02 -0.00 -0.22 -0.04 7.22 6.93 2oq2D1 TRP 190 HE1 -0.03 0.06 0.04 -0.04 10.20 10.23 2oq2D1 TRP 190 HE3 -0.09 -0.05 -0.18 -0.04 7.59 7.23 2oq2D1 TRP 190 HZ2 -0.01 0.01 0.02 -0.04 7.44 7.41 2oq2D1 TRP 190 HZ3 -0.12 0.05 -0.10 -0.04 7.13 6.91 2oq2D1 TRP 190 HH2 0.03 0.04 -0.03 -0.04 7.19 7.19 2oq2D1 THR 191 H -0.05 0.11 0.20 -0.55 8.28 7.98 2oq2D1 THR 191 HA 0.10 0.18 0.67 -0.75 4.39 4.58 2oq2D1 THR 191 HB 0.04 -0.02 0.20 -0.04 4.32 4.50 2oq2D1 THR 191 HG23 -0.00 0.06 0.06 -0.04 1.22 1.30 2oq2D1 PHE 192 H 0.21 0.22 0.15 -0.55 8.34 8.37 2oq2D1 PHE 192 HA 0.05 0.09 0.44 -0.75 4.62 4.45 2oq2D1 PHE 192 HB2 0.02 0.04 0.13 -0.04 3.15 3.30 2oq2D1 PHE 192 HB3 0.00 0.05 0.07 -0.04 3.06 3.14 2oq2D1 PHE 192 HD2 0.02 0.01 -0.06 -0.04 7.28 7.21 2oq2D1 PHE 192 HE2 0.02 0.03 0.03 -0.04 7.38 7.41 2oq2D1 PHE 192 HZ 0.02 0.03 0.06 -0.04 7.32 7.39 2oq2D1 GLU 193 H 0.08 0.10 -0.07 -0.55 8.60 8.17 2oq2D1 GLU 193 HA -0.03 0.11 0.49 -0.75 4.29 4.10 2oq2D1 GLU 193 HB2 0.00 0.05 0.11 -0.04 2.09 2.21 2oq2D1 GLU 193 HB3 -0.06 -0.05 0.06 -0.04 1.99 1.89 2oq2D1 GLU 193 HG2 -0.09 0.01 -0.18 -0.04 2.34 2.04 2oq2D1 GLU 193 HG3 -0.04 0.03 0.03 -0.04 2.34 2.32 2oq2D1 GLN 194 H -0.18 0.04 -0.26 -0.55 8.47 7.52 2oq2D1 GLN 194 HA -0.40 0.08 0.42 -0.75 4.36 3.71 2oq2D1 GLN 194 HB2 -0.48 0.04 0.15 -0.04 2.15 1.82 2oq2D1 GLN 194 HB3 -1.82 0.05 -0.04 -0.04 2.02 0.17 2oq2D1 GLN 194 HG2 -0.84 0.07 0.05 -0.04 2.40 1.64 2oq2D1 GLN 194 HG3 -0.44 -0.05 0.06 -0.04 2.39 1.92 2oq2D1 GLN 194 HE21 -0.49 0.10 0.03 -0.04 6.97 6.56 2oq2D1 GLN 194 HE22 -0.89 0.02 0.03 -0.04 7.69 6.81 2oq2D1 VAL 195 H -0.04 0.43 -0.14 -0.55 8.24 7.93 2oq2D1 VAL 195 HA 0.28 0.04 0.44 -0.75 4.13 4.14 2oq2D1 VAL 195 HB -0.35 0.09 0.15 -0.04 2.12 1.96 2oq2D1 VAL 195 HG13 -0.11 -0.02 -0.25 -0.04 0.97 0.56 2oq2D1 VAL 195 HG23 0.18 0.05 -0.06 -0.04 0.95 1.09 2oq2D1 LYS 196 H -0.32 0.60 -0.06 -0.55 8.42 8.09 2oq2D1 LYS 196 HA -0.20 -0.00 0.35 -0.75 4.32 3.72 2oq2D1 LYS 196 HB2 -0.15 0.08 0.13 -0.04 1.87 1.89 2oq2D1 LYS 196 HB3 -0.14 -0.01 -0.00 -0.04 1.79 1.59 2oq2D1 LYS 196 HG2 -0.52 -0.08 0.02 -0.04 1.46 0.84 2oq2D1 LYS 196 HG3 -0.57 0.22 0.04 -0.04 1.46 1.12 2oq2D1 LYS 196 HD2 -0.03 -0.00 -0.03 -0.04 1.69 1.59 2oq2D1 LYS 196 HD3 0.28 -0.02 -0.04 -0.04 1.68 1.85 2oq2D1 LYS 196 HE2 -0.03 0.02 -0.02 -0.04 2.99 2.92 2oq2D1 LYS 196 HE3 0.06 0.01 -0.03 -0.04 2.99 3.00 2oq2D1 GLN 197 H -0.11 0.59 -0.09 -0.55 8.47 8.32 2oq2D1 GLN 197 HA -0.05 0.00 0.43 -0.75 4.36 3.98 2oq2D1 GLN 197 HB2 -0.10 0.01 0.11 -0.04 2.15 2.13 2oq2D1 GLN 197 HB3 -0.13 0.09 0.15 -0.04 2.02 2.09 2oq2D1 GLN 197 HG2 -0.05 0.02 -0.17 -0.04 2.40 2.15 2oq2D1 GLN 197 HG3 -0.06 -0.02 0.05 -0.04 2.39 2.31 2oq2D1 GLN 197 HE21 -0.08 -0.01 -0.01 -0.04 6.97 6.83 2oq2D1 GLN 197 HE22 -0.06 0.01 -0.01 -0.04 7.69 7.59 2oq2D1 TYR 198 H 0.13 0.46 -0.30 -0.55 8.29 8.03 2oq2D1 TYR 198 HA 0.05 0.05 0.49 -0.75 4.56 4.40 2oq2D1 TYR 198 HB2 0.30 0.01 0.09 -0.04 3.06 3.42 2oq2D1 TYR 198 HB3 0.22 0.10 0.15 -0.04 2.98 3.40 2oq2D1 TYR 198 HD2 0.20 0.00 -0.21 -0.04 7.15 7.11 2oq2D1 TYR 198 HE2 0.06 0.01 -0.05 -0.04 6.85 6.82 2oq2D1 ILE 199 H 0.15 0.51 0.02 -0.55 8.25 8.38 2oq2D1 ILE 199 HA 0.16 0.02 0.38 -0.75 4.18 3.99 2oq2D1 ILE 199 HB -0.07 0.07 0.15 -0.04 1.89 2.00 2oq2D1 ILE 199 HG12 0.08 0.20 0.05 -0.04 1.49 1.77 2oq2D1 ILE 199 HG13 -0.05 -0.14 -0.06 -0.04 1.21 0.91 2oq2D1 ILE 199 HG23 -0.05 0.01 -0.14 -0.04 0.93 0.71 2oq2D1 ILE 199 HD13 0.13 0.03 -0.09 -0.04 0.88 0.91 2oq2D1 ASP 200 H -0.02 0.52 -0.26 -0.55 8.40 8.09 2oq2D1 ASP 200 HA 0.00 0.04 0.45 -0.75 4.63 4.37 2oq2D1 ASP 200 HB2 -0.04 0.09 0.12 -0.04 2.71 2.84 2oq2D1 ASP 200 HB3 -0.02 -0.03 -0.02 -0.04 2.70 2.59 2oq2D1 ALA 201 H -0.07 0.50 -0.02 -0.55 8.40 8.27 2oq2D1 ALA 201 HA -0.06 0.01 0.38 -0.75 4.34 3.92 2oq2D1 ALA 201 HB3 -0.11 -0.01 0.14 -0.04 1.41 1.38 2oq2D1 ASN 202 H -0.13 0.27 -0.58 -0.55 8.53 7.55 2oq2D1 ASN 202 HA -0.10 0.18 0.82 -0.75 4.76 4.90 2oq2D1 ASN 202 HB2 -0.25 0.06 -0.03 -0.04 2.88 2.62 2oq2D1 ASN 202 HB3 -0.11 -0.02 0.07 -0.04 2.79 2.69 2oq2D1 ASN 202 HD21 -1.07 -0.11 -0.05 -0.04 7.03 5.76 2oq2D1 ASN 202 HD22 -1.10 0.61 0.10 -0.04 7.74 7.31 2oq2D1 ASN 203 H -0.01 0.29 -0.25 -0.55 8.53 8.01 2oq2D1 ASN 203 HA 0.05 0.02 0.34 -0.75 4.76 4.42 2oq2D1 ASN 203 HB2 0.00 0.00 -0.03 -0.04 2.88 2.81 2oq2D1 ASN 203 HB3 0.01 0.06 0.01 -0.04 2.79 2.82 2oq2D1 ASN 203 HD21 -0.00 -0.07 -0.02 -0.04 7.03 6.90 2oq2D1 ASN 203 HD22 -0.01 0.03 0.03 -0.04 7.74 7.75 2oq2D1 VAL 204 H 0.11 0.32 -0.07 -0.55 8.24 8.06 2oq2D1 VAL 204 HA 0.17 0.23 0.90 -0.75 4.13 4.67 2oq2D1 VAL 204 HB 0.30 0.05 0.01 -0.04 2.12 2.44 2oq2D1 VAL 204 HG13 0.18 -0.03 -0.09 -0.04 0.97 0.99 2oq2D1 VAL 204 HG23 0.22 -0.01 -0.18 -0.04 0.95 0.93 2oq2D1 PRO 205 HA 0.03 0.01 0.41 -0.51 4.44 4.38 2oq2D1 PRO 205 HB2 0.06 -0.04 -0.04 -0.04 2.28 2.23 2oq2D1 PRO 205 HB3 -0.02 -0.01 0.05 -0.04 2.02 2.00 2oq2D1 PRO 205 HG2 0.03 0.02 -0.03 -0.04 2.03 2.01 2oq2D1 PRO 205 HG3 -0.00 0.07 0.03 -0.04 2.03 2.09 2oq2D1 PRO 205 HD2 0.27 0.06 0.15 -0.04 3.68 4.12 2oq2D1 PRO 205 HD3 0.09 0.32 0.23 -0.04 3.65 4.24 2oq2D1 TYR 206 H -0.21 0.21 0.18 -0.55 8.29 7.91 2oq2D1 TYR 206 HA 0.06 0.15 0.58 -0.75 4.56 4.60 2oq2D1 TYR 206 HB2 0.06 -0.13 0.09 -0.04 3.06 3.04 2oq2D1 TYR 206 HB3 0.06 0.17 -0.18 -0.04 2.98 2.99 2oq2D1 TYR 206 HD2 0.04 0.16 -0.15 -0.04 7.15 7.16 2oq2D1 TYR 206 HE2 0.03 -0.03 -0.10 -0.04 6.85 6.70 2oq2D1 ASN 207 H 0.22 0.17 0.11 -0.55 8.53 8.49 2oq2D1 ASN 207 HA -0.04 0.09 0.44 -0.75 4.76 4.51 2oq2D1 ASN 207 HB2 0.10 0.17 0.12 -0.04 2.88 3.22 2oq2D1 ASN 207 HB3 0.08 -0.05 0.10 -0.04 2.79 2.88 2oq2D1 ASN 207 HD21 -0.00 -0.16 -0.26 -0.04 7.03 6.56 2oq2D1 ASN 207 HD22 0.05 0.16 -0.05 -0.04 7.74 7.86 2oq2D1 GLU 208 H -0.10 0.21 0.20 -0.55 8.60 8.37 2oq2D1 GLU 208 HA -0.11 0.13 0.35 -0.75 4.29 3.91 2oq2D1 LEU 209 H -0.08 -0.00 -0.52 -0.55 8.37 7.22 2oq2D1 LEU 209 HA -0.08 0.14 0.35 -0.75 4.35 4.01 2oq2D1 LEU 209 HB2 -0.27 -0.00 -0.06 -0.04 1.64 1.27 2oq2D1 LEU 209 HB3 -0.57 0.07 -0.04 -0.04 1.64 1.05 2oq2D1 LEU 209 HG -0.32 -0.09 -0.04 -0.04 1.64 1.15 2oq2D1 LEU 209 HD13 -1.04 -0.01 -0.04 -0.04 0.93 -0.20 2oq2D1 LEU 209 HD23 -0.64 0.04 -0.03 -0.04 0.89 0.22 2oq2D1 LEU 210 H 0.14 0.56 -0.23 -0.55 8.37 8.30 2oq2D1 LEU 210 HA 0.18 0.09 0.28 -0.75 4.35 4.14 2oq2D1 ASP 211 H 0.20 0.26 -0.23 -0.55 8.40 8.09 2oq2D1 ASP 211 HA 0.11 0.07 0.43 -0.75 4.63 4.49 2oq2D1 ASP 211 HB2 0.09 0.13 0.03 -0.04 2.71 2.93 2oq2D1 ASP 211 HB3 0.09 0.00 0.09 -0.04 2.70 2.85 2oq2D1 LEU 212 H 0.13 0.17 -0.74 -0.55 8.37 7.39 2oq2D1 LEU 212 HA 0.09 0.17 0.78 -0.75 4.35 4.64 2oq2D1 LEU 212 HB2 0.14 -0.00 0.11 -0.04 1.64 1.84 2oq2D1 LEU 212 HB3 0.19 -0.02 0.18 -0.04 1.64 1.95 2oq2D1 LEU 212 HG 0.06 -0.01 -0.19 -0.04 1.64 1.46 2oq2D1 LEU 212 HD13 0.01 -0.02 -0.05 -0.04 0.93 0.83 2oq2D1 LEU 212 HD23 0.06 0.01 0.01 -0.04 0.89 0.92 2oq2D1 GLY 213 H 0.11 0.46 -0.31 -0.55 8.43 8.14 2oq2D1 GLY 213 HA2 0.01 0.05 0.29 -0.51 4.01 3.84 2oq2D1 GLY 213 HA3 -0.06 0.10 0.50 -0.51 4.01 4.05 2oq2D1 TYR 214 H 0.28 0.45 -0.11 -0.55 8.29 8.36 2oq2D1 TYR 214 HA -0.01 0.16 0.69 -0.75 4.56 4.66 2oq2D1 TYR 214 HB2 -0.06 -0.11 -0.31 -0.04 3.06 2.54 2oq2D1 TYR 214 HB3 -0.06 -0.04 -0.16 -0.04 2.98 2.69 2oq2D1 TYR 214 HD2 -0.04 0.09 -0.25 -0.04 7.15 6.91 2oq2D1 TYR 214 HE2 0.05 0.12 -0.20 -0.04 6.85 6.78 2oq2D1 ARG 215 H -0.02 0.38 0.08 -0.55 8.46 8.35 2oq2D1 ARG 215 HA 0.16 0.04 0.47 -0.75 4.34 4.25 2oq2D1 ARG 215 HB2 -0.18 0.12 0.12 -0.04 1.90 1.92 2oq2D1 ARG 215 HB3 -0.45 -0.07 0.06 -0.04 1.80 1.30 2oq2D1 ARG 215 HG2 0.08 -0.05 -0.01 -0.04 1.67 1.65 2oq2D1 ARG 215 HG3 -0.04 0.06 -0.09 -0.04 1.67 1.55 2oq2D1 ARG 215 HD2 -0.88 -0.09 -0.01 -0.04 3.22 2.20 2oq2D1 ARG 215 HD3 -0.15 -0.01 -0.04 -0.04 3.22 2.97 2oq2D1 SER 216 H 0.05 0.20 -0.13 -0.55 8.46 8.03 2oq2D1 SER 216 HA 0.12 0.03 0.72 -0.75 4.49 4.61 2oq2D1 SER 216 HB2 0.03 0.06 -0.10 -0.04 3.95 3.89 2oq2D1 SER 216 HB3 0.04 0.03 0.11 -0.04 3.93 4.07 2oq2D1 ILE 217 H 0.15 0.14 0.05 -0.55 8.25 8.04 2oq2D1 ILE 217 HA 0.22 0.21 0.87 -0.75 4.18 4.72 2oq2D1 ILE 217 HB 0.15 -0.03 0.04 -0.04 1.89 2.01 2oq2D1 ILE 217 HG12 -0.03 0.03 -0.19 -0.04 1.49 1.25 2oq2D1 ILE 217 HG13 0.15 -0.04 -0.68 -0.04 1.21 0.60 2oq2D1 ILE 217 HG23 0.18 0.00 -0.15 -0.04 0.93 0.92 2oq2D1 ILE 217 HD13 0.05 -0.02 -0.10 -0.04 0.88 0.77 2oq2D1 GLY 218 H 0.26 0.22 -0.01 -0.55 8.43 8.35 2oq2D1 GLY 218 HA2 0.18 0.17 0.77 -0.51 4.01 4.62 2oq2D1 GLY 218 HA3 0.09 0.01 0.35 -0.51 4.01 3.95 2oq2D1 ASP 219 H -0.14 0.14 0.07 -0.55 8.40 7.92 2oq2D1 ASP 219 HA -0.35 0.13 0.51 -0.75 4.63 4.17 2oq2D1 ASP 219 HB2 -0.82 -0.02 0.06 -0.04 2.71 1.89 2oq2D1 ASP 219 HB3 -1.39 0.02 0.11 -0.04 2.70 1.40 2oq2D1 TYR 220 H -0.69 0.63 0.20 -0.55 8.29 7.88 2oq2D1 TYR 220 HA -1.98 0.08 0.34 -0.75 4.56 2.25 2oq2D1 TYR 220 HB2 -0.66 0.03 0.08 -0.04 3.06 2.47 2oq2D1 TYR 220 HB3 -0.80 -0.03 -0.09 -0.04 2.98 2.02 2oq2D1 TYR 220 HD2 -0.21 0.10 -0.31 -0.04 7.15 6.70 2oq2D1 TYR 220 HE2 0.01 0.02 0.01 -0.04 6.85 6.85 2oq2D1 HIS 221 H -1.61 0.01 -0.26 -0.55 8.41 6.01 2oq2D1 HIS 221 HA -0.20 0.20 0.46 -0.75 4.63 4.33 2oq2D1 HIS 221 HB2 -0.78 0.05 0.05 -0.04 3.26 2.54 2oq2D1 HIS 221 HB3 -0.94 -0.00 0.03 -0.04 3.20 2.25 2oq2D1 HIS 221 HD2 -2.07 0.02 0.03 -0.04 6.97 4.91 2oq2D1 HIS 221 HE1 -0.72 0.04 -0.05 -0.04 7.75 6.97 2oq2D1 SER 222 H -0.48 0.16 -0.36 -0.55 8.46 7.24 2oq2D1 SER 222 HA 0.01 0.26 0.83 -0.75 4.49 4.83 2oq2D1 SER 222 HB2 -0.12 -0.15 0.04 -0.04 3.95 3.68 2oq2D1 SER 222 HB3 0.02 0.12 0.18 -0.04 3.93 4.21 2oq2D1 THR 223 H 0.05 0.26 -0.16 -0.55 8.28 7.88 2oq2D1 THR 223 HA 0.14 0.29 0.92 -0.75 4.39 4.98 2oq2D1 THR 223 HB 0.59 0.00 0.02 -0.04 4.32 4.89 2oq2D1 THR 223 HG23 0.37 -0.00 -0.03 -0.04 1.22 1.51 2oq2D1 GLN 224 H 0.09 0.59 0.26 -0.55 8.47 8.86 2oq2D1 GLN 224 HA 0.12 0.15 0.89 -0.75 4.36 4.76 2oq2D1 GLN 224 HB2 0.00 -0.02 0.15 -0.04 2.15 2.25 2oq2D1 GLN 224 HB3 -0.03 0.09 0.13 -0.04 2.02 2.17 2oq2D1 GLN 224 HG2 0.07 -0.02 -0.23 -0.04 2.40 2.17 2oq2D1 GLN 224 HG3 0.04 -0.04 -0.02 -0.04 2.39 2.33 2oq2D1 GLN 224 HE21 0.06 -0.05 0.05 -0.04 6.97 6.99 2oq2D1 GLN 224 HE22 0.02 0.01 0.06 -0.04 7.69 7.73 2oq2D1 PRO 225 HA -0.80 0.11 0.59 -0.51 4.44 3.84 2oq2D1 PRO 225 HB2 -0.24 -0.00 -0.05 -0.04 2.28 1.95 2oq2D1 PRO 225 HB3 -0.61 0.16 0.08 -0.04 2.02 1.60 2oq2D1 PRO 225 HG2 -0.10 0.01 0.05 -0.04 2.03 1.95 2oq2D1 PRO 225 HG3 -0.22 0.04 0.05 -0.04 2.03 1.87 2oq2D1 PRO 225 HD2 -0.09 0.07 0.20 -0.04 3.68 3.81 2oq2D1 PRO 225 HD3 -0.02 0.13 0.21 -0.04 3.65 3.93 2oq2D1 VAL 226 H -0.21 0.61 0.31 -0.55 8.24 8.40 2oq2D1 VAL 226 HA -0.09 0.11 0.85 -0.75 4.13 4.25 2oq2D1 VAL 226 HB -0.08 0.06 0.01 -0.04 2.12 2.07 2oq2D1 VAL 226 HG13 -0.08 0.00 -0.14 -0.04 0.97 0.72 2oq2D1 VAL 226 HG23 -0.12 0.02 0.06 -0.04 0.95 0.87 2oq2D1 LYS 227 H -0.05 0.08 0.14 -0.55 8.42 8.03 2oq2D1 LYS 227 HA -0.04 0.16 0.64 -0.75 4.32 4.34 2oq2D1 LYS 227 HB2 -0.03 -0.00 0.17 -0.04 1.87 1.96 2oq2D1 LYS 227 HB3 -0.02 -0.11 0.08 -0.04 1.79 1.70 2oq2D1 LYS 227 HG2 -0.03 0.05 0.02 -0.04 1.46 1.46 2oq2D1 LYS 227 HG3 -0.02 0.03 0.05 -0.04 1.46 1.48 2oq2D1 LYS 227 HD2 -0.01 -0.02 0.06 -0.04 1.69 1.68 2oq2D1 LYS 227 HD3 -0.02 -0.01 0.12 -0.04 1.68 1.73 2oq2D1 LYS 227 HE2 -0.01 0.04 -0.00 -0.04 2.99 2.97 2oq2D1 LYS 227 HE3 -0.01 0.01 0.01 -0.04 2.99 2.96 2oq2D1 GLU 228 H -0.02 0.15 0.16 -0.55 8.60 8.34 2oq2D1 GLU 228 HA -0.03 0.16 0.20 -0.75 4.29 3.87 2oq2D1 GLU 228 HB2 -0.01 -0.01 0.15 -0.04 2.09 2.19 2oq2D1 GLU 228 HB3 -0.01 0.01 0.02 -0.04 1.99 1.97 2oq2D1 GLU 228 HG2 0.01 -0.00 0.07 -0.04 2.34 2.37 2oq2D1 GLU 228 HG3 0.00 0.03 0.06 -0.04 2.34 2.39 2oq2D1 GLY 229 H -0.02 -0.08 -0.34 -0.55 8.43 7.44 2oq2D1 GLY 229 HA2 -0.02 0.17 0.80 -0.51 4.01 4.46 2oq2D1 GLY 229 HA3 -0.02 -0.04 0.26 -0.51 4.01 3.71 2oq2D1 GLU 230 H -0.04 0.03 -0.17 -0.55 8.60 7.88 2oq2D1 GLU 230 HA -0.03 0.01 0.29 -0.75 4.29 3.81 2oq2D1 ASP 231 H -0.03 0.05 0.16 -0.55 8.40 8.02 2oq2D1 ASP 231 HA -0.05 0.16 0.52 -0.75 4.63 4.51 2oq2D1 ASP 231 HB2 -0.03 -0.06 0.03 -0.04 2.71 2.61 2oq2D1 ASP 231 HB3 -0.02 0.09 0.12 -0.04 2.70 2.84 2oq2D1 GLU 232 H -0.08 0.19 0.16 -0.55 8.60 8.32 2oq2D1 GLU 232 HA -0.22 0.12 0.22 -0.75 4.29 3.65 2oq2D1 GLU 232 HB2 -0.18 0.04 0.15 -0.04 2.09 2.05 2oq2D1 GLU 232 HB3 -0.08 0.03 0.11 -0.04 1.99 2.02 2oq2D1 GLU 232 HG2 -0.13 -0.01 -0.17 -0.04 2.34 1.98 2oq2D1 GLU 232 HG3 -0.63 0.01 0.02 -0.04 2.34 1.70 2oq2D1 ARG 233 H -0.04 0.11 -0.24 -0.55 8.46 7.74 2oq2D1 ARG 233 HA -0.01 0.18 0.77 -0.75 4.34 4.53 2oq2D1 ARG 233 HB2 0.00 0.13 0.07 -0.04 1.90 2.06 2oq2D1 ARG 233 HB3 0.02 0.01 0.13 -0.04 1.80 1.91 2oq2D1 ARG 233 HG2 0.04 -0.02 0.00 -0.04 1.67 1.65 2oq2D1 ARG 233 HG3 0.02 0.01 -0.13 -0.04 1.67 1.54 2oq2D1 ARG 233 HD2 0.04 -0.06 -0.01 -0.04 3.22 3.14 2oq2D1 ARG 233 HD3 0.02 -0.05 -0.01 -0.04 3.22 3.14 2oq2D1 ALA 234 H -0.04 0.49 -0.29 -0.55 8.40 8.01 2oq2D1 ALA 234 HA -0.01 0.06 0.36 -0.75 4.34 4.00 2oq2D1 ALA 234 HB3 -0.03 0.00 0.08 -0.04 1.41 1.42 2oq2D1 GLY 235 H -0.03 0.13 -0.29 -0.55 8.43 7.70 2oq2D1 GLY 235 HA2 -0.01 0.10 0.29 -0.51 4.01 3.88 2oq2D1 GLY 235 HA3 -0.03 0.22 0.19 -0.51 4.01 3.89 2oq2D1 ARG 236 H 0.02 0.32 -0.76 -0.55 8.46 7.49 2oq2D1 ARG 236 HA 0.06 0.27 0.59 -0.75 4.34 4.51 2oq2D1 ARG 236 HB2 0.04 0.21 0.10 -0.04 1.90 2.22 2oq2D1 ARG 236 HB3 0.06 -0.05 0.06 -0.04 1.80 1.82 2oq2D1 ARG 236 HG2 0.06 -0.05 -0.18 -0.04 1.67 1.46 2oq2D1 ARG 236 HG3 0.06 -0.07 -0.06 -0.04 1.67 1.57 2oq2D1 ARG 236 HD2 0.08 -0.01 -0.06 -0.04 3.22 3.18 2oq2D1 ARG 236 HD3 0.10 0.09 -0.11 -0.04 3.22 3.26 2oq2D1 GLU 244 HA 0.09 -0.11 0.20 -0.75 4.29 3.72 2oq2D1 GLU 244 HB2 0.06 -0.06 0.03 -0.04 2.09 2.07 2oq2D1 GLU 244 HB3 0.08 0.02 -0.04 -0.04 1.99 2.01 2oq2D1 GLU 244 HG2 0.09 0.03 -0.14 -0.04 2.34 2.28 2oq2D1 GLU 244 HG3 0.18 0.15 -0.25 -0.04 2.34 2.37 2oq2D1 CYS 245 H 0.17 0.06 0.01 -0.55 8.50 8.20 2oq2D1 CYS 245 HA 0.12 0.09 0.42 -0.75 4.58 4.46 2oq2D1 CYS 245 HB2 0.18 0.06 0.07 -0.04 2.97 3.25 2oq2D1 CYS 245 HB3 0.18 -0.08 0.00 -0.04 2.97 3.03 2oq2D1 GLY 246 H 0.13 0.16 0.15 -0.55 8.43 8.33 2oq2D1 GLY 246 HA2 0.33 0.18 0.26 -0.51 4.01 4.28 2oq2D1 GLY 246 HA3 0.28 0.05 0.24 -0.51 4.01 4.07 2oq2D1 ILE 247 H -0.07 0.01 -0.46 -0.55 8.25 7.18 2oq2D1 ILE 247 HA -0.11 0.12 0.27 -0.75 4.18 3.70 2oq2D1 ILE 247 HB -0.18 -0.04 -0.10 -0.04 1.89 1.53 2oq2D1 ILE 247 HG12 -0.19 0.02 -0.16 -0.04 1.49 1.12 2oq2D1 ILE 247 HG13 -0.13 0.07 -0.05 -0.04 1.21 1.06 2oq2D1 ILE 247 HG23 -0.60 -0.02 -0.18 -0.04 0.93 0.09 2oq2D1 ILE 247 HD13 -0.14 0.00 -0.09 -0.04 0.88 0.62 2oq2D1 HIS 248 H -0.05 0.33 -0.37 -0.55 8.41 7.78 2oq2D1 HIS 248 HA 0.06 0.17 0.64 -0.75 4.63 4.74 2oq2D1 HIS 248 HB2 0.06 0.09 -0.10 -0.04 3.26 3.27 2oq2D1 HIS 248 HB3 0.04 0.01 -0.01 -0.04 3.20 3.20 2oq2D1 HIS 248 HD2 0.04 0.07 -0.14 -0.04 6.97 6.89 2oq2D1 HIS 248 HE1 0.05 -0.03 -0.08 -0.04 7.75 7.64 2oq2D1 GLU 249 H 0.16 0.19 -0.41 -0.55 8.60 8.00 2oq2D1 GLU 249 HA 0.12 0.14 0.77 -0.75 4.29 4.56 2oq2D1 GLU 249 HB2 0.15 0.04 0.06 -0.04 2.09 2.30 2oq2D1 GLU 249 HB3 0.09 -0.04 0.07 -0.04 1.99 2.06 2oq2D1 GLU 249 HG2 0.09 0.05 -0.14 -0.04 2.34 2.30 2oq2D1 GLU 249 HG3 0.14 -0.06 -0.35 -0.04 2.34 2.03 2oq2D1 ALA 250 H 0.13 0.20 -0.25 -0.55 8.40 7.93 2oq2D1 ALA 250 HA 0.28 0.18 0.30 -0.75 4.34 4.34 2oq2D1 ALA 250 HB3 0.12 0.02 -0.03 -0.04 1.41 1.49 2oq2D1 SER 251 H 0.11 0.06 -0.18 -0.55 8.46 7.90 2oq2D1 SER 251 HA 0.07 0.12 0.29 -0.75 4.49 4.22 2oq2D1 SER 251 HB2 0.03 0.06 0.04 -0.04 3.95 4.04 2oq2D1 SER 251 HB3 0.06 -0.06 0.08 -0.04 3.93 3.97 2oq2D1 ARG 252 H 0.05 0.21 -0.53 -0.55 8.46 7.63 2oq2D1 ARG 252 HA -0.13 0.05 0.35 -0.75 4.34 3.86 2oq2D1 PHE 253 H 0.15 0.45 -0.63 -0.55 8.34 7.76 2oq2D1 PHE 253 HA -0.08 0.18 0.68 -0.75 4.62 4.64 2oq2D1 PHE 253 HB2 0.04 0.14 0.04 -0.04 3.15 3.33 2oq2D1 PHE 253 HB3 -0.15 -0.05 0.01 -0.04 3.06 2.84 2oq2D1 PHE 253 HD2 0.02 0.08 -0.04 -0.04 7.28 7.30 2oq2D1 PHE 253 HE2 0.06 0.11 0.03 -0.04 7.38 7.54 2oq2D1 PHE 253 HZ 0.06 -0.08 -0.02 -0.04 7.32 7.24