#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1hk3 n GLU 6 N 0.00 0.65 -0.14 -1.46 4.07 -1.25 -3.99 120.64 118.53 1hk3 n GLU 6 Ca 0.00 0.28 0.18 0.00 -0.06 0.00 0.00 57.16 57.56 1hk3 n GLU 6 Cb 0.00 -1.61 0.57 0.00 -0.06 0.00 0.00 31.44 30.34 1hk3 n GLU 6 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 1hk3 h VAL 7 N -0.36 0.74 0.10 6.31 2.07 -1.86 -2.06 116.25 121.19 1hk3 h VAL 7 Ca -0.52 -0.10 -0.20 0.00 0.82 0.00 0.00 66.70 66.70 1hk3 h VAL 7 Cb 1.78 0.43 0.02 0.00 -1.52 0.00 0.00 31.29 32.00 1hk3 h VAL 7 CO -0.13 0.05 -0.83 0.00 0.02 0.00 0.00 177.57 176.68 1hk3 h ALA 8 N 1.65 -0.03 -0.74 1.67 0.00 -1.87 -2.75 119.26 117.19 1hk3 h ALA 8 Ca 0.37 -0.67 0.15 0.00 0.00 0.00 0.00 54.91 54.76 1hk3 h ALA 8 Cb 1.02 0.08 -0.10 0.00 0.00 0.00 0.00 17.79 18.78 1hk3 h ALA 8 CO -0.09 0.42 0.23 1.25 0.00 0.00 0.00 179.25 181.06 1hk3 h HIS 9 N -0.17 0.38 0.17 0.00 6.17 -1.51 0.86 115.15 121.05 1hk3 h HIS 9 Ca -0.13 0.04 -0.01 0.00 0.71 0.00 0.00 60.37 60.98 1hk3 h HIS 9 Cb 1.59 -0.05 0.00 0.00 2.52 0.00 0.00 27.41 31.47 1hk3 h HIS 9 CO 0.17 -0.03 -0.08 0.00 0.71 0.00 0.00 177.93 178.70 1hk3 h ARG 10 N 0.34 -0.23 -1.00 5.26 2.47 -1.55 -2.66 114.38 117.01 1hk3 h ARG 10 Ca 0.42 0.02 0.22 0.00 -1.26 0.00 0.00 59.98 59.38 1hk3 h ARG 10 Cb 0.69 0.05 -0.10 0.00 -1.65 0.00 0.00 29.97 28.96 1hk3 h ARG 10 CO -0.47 0.18 0.63 0.35 0.56 0.00 0.00 179.97 181.22 1hk3 h PHE 11 N -0.73 0.84 -0.50 3.04 3.04 -1.12 0.12 116.94 121.63 1hk3 h PHE 11 Ca -0.02 0.03 -0.10 0.00 3.98 0.00 0.00 57.97 61.85 1hk3 h PHE 11 Cb 0.51 -0.25 -0.02 0.00 2.56 0.00 0.00 35.95 38.75 1hk3 h PHE 11 CO 0.06 0.14 -0.08 0.87 -2.02 0.00 0.00 178.31 177.29 1hk3 h LYS 12 N 0.56 0.94 0.12 1.11 1.57 -0.79 -1.09 116.57 118.99 1hk3 h LYS 12 Ca 0.57 -0.34 -0.01 0.00 -1.87 0.00 0.00 60.65 59.01 1hk3 h LYS 12 Cb 1.19 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.43 1hk3 h LYS 12 CO -0.33 1.00 -0.06 -0.44 -0.57 0.00 0.00 179.45 179.04 1hk3 h ASP 13 N 0.80 -0.14 0.43 0.86 3.32 -0.51 -3.35 116.42 117.82 1hk3 h ASP 13 Ca 0.13 -0.38 -0.10 0.00 0.02 0.00 0.00 57.03 56.70 1hk3 h ASP 13 Cb 0.62 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.20 1hk3 h ASP 13 CO 0.04 0.47 -0.45 -0.07 -1.72 0.00 0.00 179.24 177.51 1hk3 h LEU 14 N -0.91 0.03 0.00 1.55 3.38 -1.05 -3.50 115.31 114.81 1hk3 h LEU 14 Ca -0.02 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1hk3 h LEU 14 Cb 0.51 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1hk3 h LEU 14 CO 0.03 0.48 0.00 0.61 0.09 0.00 0.00 178.44 179.65 1hk3 n GLY 15 N -0.22 0.87 0.08 0.83 0.00 -0.41 -4.41 105.19 101.92 1hk3 n GLY 15 Ca -0.02 -1.96 -0.14 0.00 0.00 0.00 0.00 46.02 43.90 1hk3 n GLY 15 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1hk3 h GLU 16 N 0.00 0.08 0.01 1.61 4.81 -1.95 -3.00 114.58 116.14 1hk3 h GLU 16 Ca 0.00 -0.07 0.01 0.00 -0.13 0.00 0.00 59.36 59.17 1hk3 h GLU 16 Cb 0.00 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 1hk3 h GLU 16 CO 0.00 0.76 -0.22 1.49 -0.73 0.00 0.00 179.01 180.31 1hk3 h GLU 17 N -0.57 -0.28 -0.75 1.92 4.81 -1.96 -2.18 114.58 115.57 1hk3 h GLU 17 Ca -0.01 0.02 0.11 0.00 -0.13 0.00 0.00 59.36 59.35 1hk3 h GLU 17 Cb 0.78 0.06 -0.08 0.00 0.63 0.00 0.00 28.75 30.14 1hk3 h GLU 17 CO 0.02 -0.19 0.36 -0.91 -0.73 0.00 0.00 179.01 177.56 1hk3 h ASN 18 N -0.29 0.44 -0.91 1.04 2.35 -1.77 -1.66 115.58 114.79 1hk3 h ASN 18 Ca 0.00 0.08 0.15 0.00 -0.55 0.00 0.00 56.30 55.98 1hk3 h ASN 18 Cb 0.31 0.01 -0.09 0.00 0.05 0.00 0.00 38.32 38.59 1hk3 h ASN 18 CO -0.15 0.23 0.51 0.15 -1.65 0.00 0.00 177.43 176.52 1hk3 h PHE 19 N 0.58 0.90 -0.45 1.19 3.04 -1.35 0.68 116.94 121.54 1hk3 h PHE 19 Ca 0.38 0.03 -0.11 0.00 3.98 0.00 0.00 57.97 62.26 1hk3 h PHE 19 Cb 0.47 -0.27 -0.02 0.00 2.56 0.00 0.00 35.95 38.70 1hk3 h PHE 19 CO -0.12 0.25 -0.16 0.87 -2.02 0.00 0.00 178.31 177.14 1hk3 h LYS 20 N 0.73 0.86 -0.01 1.11 1.57 -0.67 -1.86 116.57 118.30 1hk3 h LYS 20 Ca 0.49 -0.32 -0.00 0.00 -1.87 0.00 0.00 60.65 58.95 1hk3 h LYS 20 Cb 0.65 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.91 1hk3 h LYS 20 CO -0.34 0.96 0.00 0.00 -0.57 0.00 0.00 179.45 179.50 1hk3 h ALA 21 N 1.06 0.02 -0.60 3.86 0.00 -0.78 -0.90 119.26 121.92 1hk3 h ALA 21 Ca 0.11 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1hk3 h ALA 21 Cb 0.68 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 1hk3 h ALA 21 CO 0.05 -0.36 0.10 -0.07 0.00 0.00 0.00 179.25 178.97 1hk3 h LEU 22 N -0.21 0.92 -0.63 0.00 3.38 -0.93 0.14 115.31 117.97 1hk3 h LEU 22 Ca 0.00 -0.20 -0.11 0.00 0.09 0.00 0.00 57.88 57.67 1hk3 h LEU 22 Cb 0.24 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1hk3 h LEU 22 CO 0.00 0.92 -0.08 0.58 0.09 0.00 0.00 178.44 179.94 1hk3 h VAL 23 N 0.91 1.27 0.37 1.22 2.07 -1.28 0.34 116.25 121.15 1hk3 h VAL 23 Ca 0.19 -1.22 -0.02 0.00 0.82 0.00 0.00 66.70 66.47 1hk3 h VAL 23 Cb 0.39 0.94 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1hk3 h VAL 23 CO 0.01 0.43 -0.18 0.25 0.02 0.00 0.00 177.57 178.10 1hk3 h LEU 24 N 0.89 -0.42 -0.57 2.57 5.85 -0.71 -1.66 115.31 121.24 1hk3 h LEU 24 Ca 0.14 -0.10 0.11 0.00 0.84 0.00 0.00 57.88 58.88 1hk3 h LEU 24 Cb 0.63 0.11 -0.09 0.00 0.37 0.00 0.00 40.66 41.68 1hk3 h LEU 24 CO 0.04 -0.15 0.05 0.40 -0.34 0.00 0.00 178.44 178.44 1hk3 h ILE 25 N -0.70 0.58 -0.86 4.05 5.03 -0.64 -0.36 117.51 124.61 1hk3 h ILE 25 Ca -0.05 -0.06 0.14 0.00 -0.12 0.00 0.00 64.86 64.77 1hk3 h ILE 25 Cb 0.49 0.40 -0.07 0.00 -3.03 0.00 0.00 36.82 34.62 1hk3 h ILE 25 CO 0.08 0.03 0.56 0.00 -0.68 0.00 0.00 178.15 178.14 1hk3 h ALA 26 N 1.49 1.86 0.20 1.87 0.00 -0.04 -1.52 119.26 123.12 1hk3 h ALA 26 Ca 0.30 0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.94 1hk3 h ALA 26 Cb 0.46 -0.12 0.03 0.00 0.00 0.00 0.00 17.79 18.16 1hk3 h ALA 26 CO -0.44 -0.08 -1.22 0.74 0.00 0.00 0.00 179.25 178.24 1hk3 h PHE 27 N 0.66 0.85 0.00 0.00 0.04 -0.14 -3.14 116.94 115.20 1hk3 h PHE 27 Ca 0.43 -0.60 -0.01 0.00 2.80 0.00 0.00 57.97 60.58 1hk3 h PHE 27 Cb 0.69 -0.04 -0.00 0.00 2.20 0.00 0.00 35.95 38.80 1hk3 h PHE 27 CO -0.00 1.47 -0.04 0.00 -0.60 0.00 0.00 178.31 179.14 1hk3 h ALA 28 N 0.15 1.11 0.06 2.45 0.00 -0.90 0.11 119.26 122.24 1hk3 h ALA 28 Ca -0.21 -0.03 -0.26 0.00 0.00 0.00 0.00 54.91 54.40 1hk3 h ALA 28 Cb 1.96 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.72 1hk3 h ALA 28 CO 0.23 0.05 -1.31 1.96 0.00 0.00 0.00 179.25 180.18 1hk3 h GLN 29 N 0.00 0.12 0.24 0.00 4.20 -1.34 -3.29 115.11 115.04 1hk3 h GLN 29 Ca -0.00 -0.21 -0.33 0.00 0.06 0.00 0.00 58.65 58.18 1hk3 h GLN 29 Cb 0.24 0.08 0.04 0.00 0.30 0.00 0.00 27.48 28.13 1hk3 h GLN 29 CO 0.00 0.99 -1.45 1.88 -0.67 0.00 0.00 178.83 179.59 1hk3 h TYR 30 N 0.03 0.93 -2.96 2.96 0.05 -1.27 -3.41 116.97 113.31 1hk3 h TYR 30 Ca -0.14 -0.68 -0.62 0.00 0.05 0.00 0.00 58.73 57.34 1hk3 h TYR 30 Cb 1.92 -0.04 -0.42 0.00 1.01 0.00 0.00 36.73 39.20 1hk3 h TYR 30 CO 0.03 1.56 -0.59 1.28 -1.05 0.00 0.00 178.16 179.38 1hk3 n LEU 31 N -3.75 2.93 0.29 3.88 4.77 0.30 -4.87 117.00 120.55 1hk3 n LEU 31 Ca -0.17 -5.20 0.16 0.00 -0.03 0.00 0.00 56.01 50.77 1hk3 n LEU 31 Cb 1.08 -0.68 0.86 0.00 -2.33 0.00 0.00 43.42 42.35 1hk3 n LEU 31 CO 0.59 1.79 1.05 1.56 -1.33 0.00 0.00 177.39 181.05 1hk3 h GLN 32 N 5.27 0.00 0.01 3.23 4.20 -1.79 -3.21 115.11 122.82 1hk3 h GLN 32 Ca 0.16 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.58 1hk3 h GLN 32 Cb 0.75 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.48 1hk3 h GLN 32 CO 0.71 0.06 -1.68 1.96 -0.67 0.00 0.00 178.83 179.21 1hk3 h GLN 33 N 0.00 0.02 -7.17 1.46 7.50 -1.92 -3.48 115.11 111.52 1hk3 h GLN 33 Ca -0.00 -0.04 -0.54 0.00 0.50 0.00 0.00 58.65 58.57 1hk3 h GLN 33 Cb 0.22 0.01 0.17 0.00 0.05 0.00 0.00 27.48 27.94 1hk3 h GLN 33 CO 0.01 0.58 0.41 0.00 -1.50 0.00 0.00 178.83 178.33 1hk3 s PRO 35 N -3.84 1.75 0.02 0.00 0.02 -1.26 -4.97 135.00 126.71 1hk3 s PRO 35 Ca 0.77 1.30 -0.08 0.00 0.02 0.00 0.00 61.00 63.01 1hk3 s PRO 35 Cb -0.32 -1.83 -0.04 0.00 0.02 0.00 0.00 34.50 32.33 1hk3 s PRO 35 CO 0.46 -2.04 1.13 0.35 -0.33 0.00 0.00 177.00 176.57 1hk3 h PHE 36 N -1.43 -0.33 -0.91 6.54 3.57 -1.99 -3.22 116.94 119.17 1hk3 h PHE 36 Ca -0.44 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.16 1hk3 h PHE 36 Cb 1.25 0.13 -0.12 0.00 2.79 0.00 0.00 35.95 40.00 1hk3 h PHE 36 CO 0.55 -0.15 -0.50 -0.85 -2.23 0.00 0.00 178.31 175.13 1hk3 n GLU 37 N -3.05 -0.36 -0.33 1.11 0.00 -1.26 -0.74 120.64 116.01 1hk3 n GLU 37 Ca -0.02 1.38 0.14 0.00 0.00 0.00 0.00 57.16 58.65 1hk3 n GLU 37 Cb 0.10 -2.03 0.28 0.00 0.00 0.00 0.00 31.44 29.79 1hk3 n GLU 37 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 1hk3 h ASP 38 N 0.00 -0.44 -0.11 -1.84 5.19 -1.96 0.45 116.42 117.72 1hk3 h ASP 38 Ca 0.18 0.27 -0.00 0.00 -0.62 0.00 0.00 57.03 56.85 1hk3 h ASP 38 Cb 0.41 0.46 -0.01 0.00 0.18 0.00 0.00 39.33 40.37 1hk3 h ASP 38 CO -0.86 -0.33 0.06 0.45 -3.12 0.00 0.00 179.24 175.44 1hk3 h HIS 39 N 0.03 0.15 -0.67 4.55 3.86 -0.95 -2.42 115.15 119.70 1hk3 h HIS 39 Ca 0.58 -0.01 0.14 0.00 -1.16 0.00 0.00 60.37 59.93 1hk3 h HIS 39 Cb 1.17 -0.05 -0.11 0.00 1.06 0.00 0.00 27.41 29.49 1hk3 h HIS 39 CO -0.48 0.19 0.10 0.28 0.86 0.00 0.00 177.93 178.88 1hk3 h VAL 40 N 0.07 0.52 -0.51 2.45 2.07 0.14 0.19 116.25 121.17 1hk3 h VAL 40 Ca 0.04 -0.07 0.01 0.00 0.82 0.00 0.00 66.70 67.50 1hk3 h VAL 40 Cb 0.09 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.13 1hk3 h VAL 40 CO -0.01 0.04 0.34 0.11 0.02 0.00 0.00 177.57 178.07 1hk3 h LYS 41 N 0.20 0.64 -0.05 1.57 1.57 -0.96 -0.55 116.57 119.00 1hk3 h LYS 41 Ca 0.37 -0.04 -0.21 0.00 -1.87 0.00 0.00 60.65 58.90 1hk3 h LYS 41 Cb 0.61 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.77 1hk3 h LYS 41 CO -0.51 0.42 -0.83 -0.07 -0.57 0.00 0.00 179.45 177.90 1hk3 h LEU 42 N 0.66 0.54 0.19 2.94 3.38 -0.24 -3.05 115.31 119.73 1hk3 h LEU 42 Ca 0.20 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 1hk3 h LEU 42 Cb -0.02 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.57 1hk3 h LEU 42 CO -0.05 1.16 -0.09 0.58 0.09 0.00 0.00 178.44 180.13 1hk3 h VAL 43 N 0.28 0.91 -0.77 1.22 2.07 -0.20 -2.45 116.25 117.30 1hk3 h VAL 43 Ca -0.05 -0.75 0.10 0.00 0.82 0.00 0.00 66.70 66.81 1hk3 h VAL 43 Cb 1.43 1.34 -0.07 0.00 -1.52 0.00 0.00 31.29 32.47 1hk3 h VAL 43 CO 0.14 0.16 0.42 0.78 0.02 0.00 0.00 177.57 179.10 1hk3 h ASN 44 N -0.64 0.58 0.20 0.57 2.35 -1.24 0.55 115.58 117.95 1hk3 h ASN 44 Ca -0.03 0.05 -0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1hk3 h ASN 44 Cb 0.47 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.78 1hk3 h ASN 44 CO 0.04 0.33 -0.14 -0.33 -1.65 0.00 0.00 177.43 175.68 1hk3 h GLU 45 N 0.70 -0.33 -0.83 0.81 5.08 -1.56 -0.25 114.58 118.21 1hk3 h GLU 45 Ca 0.38 0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.77 1hk3 h GLU 45 Cb 0.37 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.65 1hk3 h GLU 45 CO -0.26 -0.22 0.55 0.28 -1.00 0.00 0.00 179.01 178.36 1hk3 h VAL 46 N -0.34 1.20 -0.41 3.13 2.07 -0.78 -1.84 116.25 119.27 1hk3 h VAL 46 Ca -0.01 -0.38 -0.05 0.00 0.82 0.00 0.00 66.70 67.08 1hk3 h VAL 46 Cb 0.29 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.04 1hk3 h VAL 46 CO 0.00 0.20 0.07 0.74 0.02 0.00 0.00 177.57 178.60 1hk3 h THR 47 N 1.10 1.24 0.79 2.57 2.02 0.47 -2.47 112.91 118.63 1hk3 h THR 47 Ca 0.31 -0.87 -0.04 0.00 0.77 0.00 0.00 66.41 66.58 1hk3 h THR 47 Cb -0.09 1.02 0.01 0.00 -1.74 0.00 0.00 68.15 67.35 1hk3 h THR 47 CO -0.07 0.30 -0.38 -0.33 0.37 0.00 0.00 175.52 175.41 1hk3 h GLU 48 N 0.53 -1.02 -0.88 6.66 4.39 -0.76 -2.81 114.58 120.69 1hk3 h GLU 48 Ca 0.12 0.07 0.23 0.00 0.34 0.00 0.00 59.36 60.12 1hk3 h GLU 48 Cb 0.37 0.23 -0.16 0.00 -0.10 0.00 0.00 28.75 29.09 1hk3 h GLU 48 CO 0.01 -0.68 -0.02 0.34 -1.16 0.00 0.00 179.01 177.50 1hk3 n PHE 49 N -5.35 0.52 0.15 4.33 -0.00 -0.72 0.72 117.46 117.12 1hk3 n PHE 49 Ca -0.13 1.06 -0.13 0.00 -0.00 0.00 0.00 57.45 58.24 1hk3 n PHE 49 Cb 0.42 -1.14 -0.07 0.00 -0.00 0.00 0.00 39.48 38.70 1hk3 n PHE 49 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1hk3 h ALA 50 N 1.75 -0.39 -1.29 3.13 0.00 -1.38 -2.31 119.26 118.77 1hk3 h ALA 50 Ca 0.52 -0.06 0.38 0.00 0.00 0.00 0.00 54.91 55.74 1hk3 h ALA 50 Cb 1.03 0.26 -0.09 0.00 0.00 0.00 0.00 17.79 18.99 1hk3 h ALA 50 CO -0.83 -0.74 0.88 0.87 0.00 0.00 0.00 179.25 179.43 1hk3 h LYS 51 N -0.42 0.12 -0.05 0.00 1.57 0.57 0.39 116.57 118.76 1hk3 h LYS 51 Ca -0.00 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 1hk3 h LYS 51 Cb 0.38 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1hk3 h LYS 51 CO -0.03 0.08 -0.11 1.79 -0.57 0.00 0.00 179.45 180.60 1hk3 h THR 52 N 0.13 1.43 0.00 -0.16 1.35 -1.15 -2.79 112.91 111.72 1hk3 h THR 52 Ca 0.69 -1.44 -0.00 0.00 -0.55 0.00 0.00 66.41 65.10 1hk3 h THR 52 Cb 2.36 2.25 -0.00 0.00 -1.73 0.00 0.00 68.15 71.03 1hk3 h THR 52 CO -0.19 0.40 -0.02 0.00 -0.25 0.00 0.00 175.52 175.46 1hk3 h VAL 54 N 0.00 1.35 0.00 0.00 2.07 -0.81 -2.94 116.25 115.92 1hk3 h VAL 54 Ca -0.00 -1.81 -0.13 0.00 0.82 0.00 0.00 66.70 65.58 1hk3 h VAL 54 Cb 0.07 1.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.67 1hk3 h VAL 54 CO 0.00 0.54 -0.74 0.00 0.02 0.00 0.00 177.57 177.40 1hk3 h ALA 55 N 1.16 0.15 -3.06 1.67 0.00 -0.40 -3.42 119.26 115.36 1hk3 h ALA 55 Ca 0.01 -0.90 -0.70 0.00 0.00 0.00 0.00 54.91 53.31 1hk3 h ALA 55 Cb 1.03 0.44 -0.35 0.00 0.00 0.00 0.00 17.79 18.91 1hk3 h ALA 55 CO 0.09 0.42 -0.26 0.16 0.00 0.00 0.00 179.25 179.66 1hk3 s ASP 56 N -6.56 5.53 0.00 0.00 1.47 0.46 -4.91 116.67 112.66 1hk3 s ASP 56 Ca -0.24 -3.12 0.00 0.00 1.18 0.00 0.00 52.55 50.37 1hk3 s ASP 56 Cb 0.02 -1.89 0.00 0.00 -0.34 0.00 0.00 42.92 40.72 1hk3 s ASP 56 CO 0.61 -0.32 0.47 -0.62 0.68 0.00 0.00 175.17 175.99 1hk3 n GLU 57 N 3.14 0.00 0.00 2.11 -0.58 -1.11 0.05 120.64 124.26 1hk3 n GLU 57 Ca 0.12 0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.87 1hk3 n GLU 57 Cb 0.38 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.75 1hk3 n GLU 57 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1hk3 n SER 58 N -0.97 1.37 -3.28 1.62 3.41 -1.26 -4.42 113.62 110.09 1hk3 n SER 58 Ca 0.00 -1.61 -0.21 0.00 -0.26 0.00 0.00 58.87 56.79 1hk3 n SER 58 Cb 0.00 0.00 0.20 0.00 -0.26 0.00 0.00 64.21 64.15 1hk3 n SER 58 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1hk3 n ALA 59 N -0.30 -3.63 -2.40 7.33 0.00 0.11 -4.89 120.51 116.73 1hk3 n ALA 59 Ca 0.00 -1.06 -0.42 0.00 0.00 0.00 0.00 53.44 51.96 1hk3 n ALA 59 Cb 0.26 -0.09 -0.03 0.00 0.00 0.00 0.00 19.45 19.58 1hk3 n ALA 59 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1hk3 s GLU 60 N -4.16 4.41 0.00 0.00 8.01 -1.26 -3.49 118.70 122.21 1hk3 s GLU 60 Ca 0.46 1.80 0.00 0.00 0.01 0.00 0.00 54.97 57.24 1hk3 s GLU 60 Cb -0.08 -3.36 0.00 0.00 -4.31 0.00 0.00 34.13 26.38 1hk3 s GLU 60 CO 0.39 -0.30 0.00 0.09 0.01 0.00 0.00 175.26 175.45 1hk3 n ASN 61 N 4.07 -0.22 0.28 -0.19 3.02 -1.26 -4.86 115.26 116.10 1hk3 n ASN 61 Ca 0.09 0.00 0.19 0.00 -0.03 0.00 0.00 54.58 54.83 1hk3 n ASN 61 Cb 0.46 -1.23 0.89 0.00 -0.61 0.00 0.00 39.78 39.29 1hk3 n ASN 61 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1hk3 n ASP 63 N -2.94 0.57 -3.61 0.00 5.68 -1.26 -3.76 116.55 111.24 1hk3 n ASP 63 Ca -0.01 0.58 -0.22 0.00 -0.50 0.00 0.00 54.79 54.64 1hk3 n ASP 63 Cb 0.17 -0.72 0.18 0.00 -1.14 0.00 0.00 41.12 39.61 1hk3 n ASP 63 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1hk3 n LYS 64 N -2.06 -2.71 -4.35 0.11 4.76 -0.53 -4.79 118.16 108.59 1hk3 n LYS 64 Ca 0.05 -0.80 -0.31 0.00 -2.87 0.00 0.00 58.31 54.38 1hk3 n LYS 64 Cb 0.35 -1.59 -0.10 0.00 -1.84 0.00 0.00 35.03 31.85 1hk3 n LYS 64 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1hk3 s SER 65 N -2.18 4.42 0.48 4.39 1.04 -1.26 -4.45 113.70 116.14 1hk3 s SER 65 Ca 0.44 -0.31 0.21 0.00 0.48 0.00 0.00 55.95 56.78 1hk3 s SER 65 Cb -0.08 -0.90 1.24 0.00 0.10 0.00 0.00 66.02 66.38 1hk3 s SER 65 CO 0.41 0.22 1.94 -0.07 0.98 0.00 0.00 173.24 176.72 1hk3 h LEU 66 N 4.00 0.20 -0.48 2.42 3.38 -1.97 -0.90 115.31 121.95 1hk3 h LEU 66 Ca -0.48 0.01 -0.17 0.00 0.09 0.00 0.00 57.88 57.33 1hk3 h LEU 66 Cb 1.17 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 1hk3 h LEU 66 CO 0.52 0.10 -0.69 0.45 0.09 0.00 0.00 178.44 178.91 1hk3 h HIS 67 N 0.21 0.45 -0.06 1.13 3.86 -1.98 -1.88 115.15 116.88 1hk3 h HIS 67 Ca 0.34 -0.19 -0.07 0.00 -1.16 0.00 0.00 60.37 59.28 1hk3 h HIS 67 Cb 1.03 -0.07 0.00 0.00 1.06 0.00 0.00 27.41 29.43 1hk3 h HIS 67 CO -0.00 0.92 -0.25 1.15 0.86 0.00 0.00 177.93 180.60 1hk3 h THR 68 N 0.23 1.44 0.00 2.45 2.02 -1.61 -0.25 112.91 117.20 1hk3 h THR 68 Ca -0.02 -1.69 0.00 0.00 0.77 0.00 0.00 66.41 65.47 1hk3 h THR 68 Cb 1.24 2.38 0.00 0.00 -1.74 0.00 0.00 68.15 70.03 1hk3 h THR 68 CO 0.11 0.48 0.00 0.18 0.37 0.00 0.00 175.52 176.66 1hk3 n LEU 69 N -4.50 0.00 -0.33 2.58 4.77 -0.71 0.06 117.00 118.87 1hk3 n LEU 69 Ca -0.08 0.97 0.21 0.00 -0.03 0.00 0.00 56.01 57.08 1hk3 n LEU 69 Cb 0.47 -0.48 0.43 0.00 -2.33 0.00 0.00 43.42 41.51 1hk3 n LEU 69 CO 0.40 -0.48 1.07 -0.26 -1.33 0.00 0.00 177.39 176.80 1hk3 h PHE 70 N 0.00 0.79 -0.21 -1.77 -1.00 -1.48 0.23 116.94 113.49 1hk3 h PHE 70 Ca 0.00 0.04 -0.01 0.00 2.81 0.00 0.00 57.97 60.82 1hk3 h PHE 70 Cb 0.00 -0.19 -0.01 0.00 3.61 0.00 0.00 35.95 39.36 1hk3 h PHE 70 CO 0.22 -0.18 0.11 0.78 -1.61 0.00 0.00 178.31 177.62 1hk3 h GLY 71 N 0.30 0.32 0.96 -1.45 0.00 -0.82 -2.47 103.07 99.91 1hk3 h GLY 71 Ca 0.69 -0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.86 1hk3 h GLY 71 CO -0.62 0.14 -0.12 -0.55 0.00 0.00 0.00 176.54 175.39 1hk3 h ASP 72 N 0.22 -0.30 -0.24 0.19 3.32 0.30 -2.55 116.42 117.36 1hk3 h ASP 72 Ca 0.07 -0.02 0.06 0.00 0.02 0.00 0.00 57.03 57.16 1hk3 h ASP 72 Cb 0.09 0.08 -0.06 0.00 0.22 0.00 0.00 39.33 39.65 1hk3 h ASP 72 CO -0.01 -0.17 -0.18 0.11 -1.72 0.00 0.00 179.24 177.27 1hk3 h LYS 73 N -0.39 -0.16 -0.15 3.56 1.79 -1.37 0.69 116.57 120.55 1hk3 h LYS 73 Ca -0.04 0.01 0.04 0.00 -2.18 0.00 0.00 60.65 58.49 1hk3 h LYS 73 Cb 0.30 0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 30.98 1hk3 h LYS 73 CO 0.06 -0.11 0.21 -0.07 -1.08 0.00 0.00 179.45 178.46 1hk3 h LEU 74 N -0.17 0.00 0.00 2.94 3.38 -1.39 0.13 115.31 120.21 1hk3 h LEU 74 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1hk3 h LEU 74 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1hk3 h LEU 74 CO -0.35 0.00 -0.05 0.00 0.09 0.00 0.00 178.44 178.13 1hk3 n THR 76 N -1.95 3.37 0.07 0.00 -2.24 0.47 -5.08 114.28 108.91 1hk3 n THR 76 Ca 0.06 -2.76 0.02 0.00 -2.27 0.00 0.00 64.05 59.10 1hk3 n THR 76 Cb 0.40 -1.71 0.04 0.00 -2.10 0.00 0.00 70.33 66.95 1hk3 n THR 76 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1hk3 n ASP 89 N 1.28 0.00 -0.00 3.42 5.75 -1.26 -5.14 116.55 120.59 1hk3 n ASP 89 Ca 0.49 0.20 -0.19 0.00 -0.01 0.00 0.00 54.79 55.27 1hk3 n ASP 89 Cb 0.61 -0.02 -0.14 0.00 -1.03 0.00 0.00 41.12 40.53 1hk3 n ASP 89 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1hk3 n ALA 92 N -2.49 1.78 -2.30 0.00 0.00 -1.26 -4.56 120.51 111.68 1hk3 n ALA 92 Ca -0.02 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.26 1hk3 n ALA 92 Cb 0.57 -1.00 -0.09 0.00 0.00 0.00 0.00 19.45 18.94 1hk3 n ALA 92 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1hk3 s LYS 93 N 0.26 1.54 0.30 0.00 1.02 -1.20 -5.03 119.74 116.63 1hk3 s LYS 93 Ca 0.00 -1.84 0.05 0.00 0.02 0.00 0.00 55.97 54.20 1hk3 s LYS 93 Cb 0.00 0.31 -0.06 0.00 -0.52 0.00 0.00 37.83 37.56 1hk3 s LYS 93 CO 0.00 -0.55 0.02 -0.65 -0.92 0.00 0.00 175.35 173.24 1hk3 s GLN 94 N -3.72 1.59 0.22 1.68 -0.21 -1.26 -4.70 119.66 113.25 1hk3 s GLN 94 Ca 0.39 -1.85 -0.32 0.00 0.02 0.00 0.00 55.36 53.60 1hk3 s GLN 94 Cb 0.04 -0.93 -0.13 0.00 1.00 0.00 0.00 33.01 33.00 1hk3 s GLN 94 CO 0.21 -0.11 1.58 -1.91 -2.12 0.00 0.00 175.29 172.94 1hk3 n GLU 95 N -0.63 2.40 0.00 2.91 4.07 -1.26 -0.90 120.64 127.23 1hk3 n GLU 95 Ca -0.04 0.86 0.12 0.00 -0.06 0.00 0.00 57.16 58.04 1hk3 n GLU 95 Cb 0.65 -2.63 0.09 0.00 -0.06 0.00 0.00 31.44 29.49 1hk3 n GLU 95 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 1hk3 n PRO 96 N 3.01 1.60 -0.17 5.31 -0.04 -1.26 -4.86 135.00 138.59 1hk3 n PRO 96 Ca 0.14 -1.29 0.10 0.00 -0.04 0.00 0.00 63.50 62.42 1hk3 n PRO 96 Cb 0.32 -1.47 0.42 0.00 -0.04 0.00 0.00 33.50 32.73 1hk3 n PRO 96 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1hk3 h GLU 97 N 3.14 0.58 -0.44 0.54 3.07 -1.43 -0.69 114.58 119.35 1hk3 h GLU 97 Ca 0.00 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 1hk3 h GLU 97 Cb 0.81 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 28.57 1hk3 h GLU 97 CO 0.00 0.38 0.28 -0.09 -1.40 0.00 0.00 179.01 178.18 1hk3 h ARG 98 N 0.60 0.59 0.54 2.33 2.43 -1.34 -2.60 114.38 116.93 1hk3 h ARG 98 Ca 0.34 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.44 1hk3 h ARG 98 Cb 0.52 -0.13 0.01 0.00 -0.42 0.00 0.00 29.97 29.95 1hk3 h ARG 98 CO -0.12 0.42 -0.26 -0.97 -1.51 0.00 0.00 179.97 177.53 1hk3 h ASN 99 N 0.59 -0.62 0.00 -3.80 -0.73 -1.42 -2.10 115.58 107.51 1hk3 h ASN 99 Ca 0.16 -0.04 0.00 0.00 1.87 0.00 0.00 56.30 58.29 1hk3 h ASN 99 Cb -0.03 0.16 0.00 0.00 0.27 0.00 0.00 38.32 38.72 1hk3 h ASN 99 CO -0.03 -0.32 0.19 -0.62 -0.37 0.00 0.00 177.43 176.27 1hk3 n GLU 100 N -5.34 0.00 -0.01 6.67 -0.58 -0.67 -0.09 120.64 120.62 1hk3 n GLU 100 Ca -0.12 0.31 -0.17 0.00 -0.42 0.00 0.00 57.16 56.76 1hk3 n GLU 100 Cb 0.33 -1.69 -0.14 0.00 -0.57 0.00 0.00 31.44 29.37 1hk3 n GLU 100 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1hk3 h PHE 102 N -0.66 0.69 -0.76 0.00 0.04 -0.48 -1.86 116.94 113.91 1hk3 h PHE 102 Ca -0.08 -0.12 0.04 0.00 2.80 0.00 0.00 57.97 60.61 1hk3 h PHE 102 Cb 1.34 -0.18 -0.05 0.00 2.20 0.00 0.00 35.95 39.26 1hk3 h PHE 102 CO 0.24 0.74 0.47 -0.07 -0.60 0.00 0.00 178.31 179.09 1hk3 h LEU 103 N 0.45 0.76 -0.19 1.54 3.38 -1.55 -0.51 115.31 119.18 1hk3 h LEU 103 Ca 0.10 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1hk3 h LEU 103 Cb 0.47 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1hk3 h LEU 103 CO 0.02 0.51 0.00 1.67 0.09 0.00 0.00 178.44 180.73 1hk3 n GLN 104 N -4.65 0.11 0.00 1.13 -0.06 -1.01 -3.13 117.38 109.78 1hk3 n GLN 104 Ca 0.09 0.23 0.12 0.00 -2.00 0.00 0.00 57.00 55.44 1hk3 n GLN 104 Cb 0.12 -1.67 0.10 0.00 -4.06 0.00 0.00 30.24 24.73 1hk3 n GLN 104 CO 0.00 0.00 0.00 0.72 -0.20 0.00 0.00 177.06 177.58 1hk3 n HIS 105 N -1.88 0.00 -1.71 3.69 8.25 -0.22 -4.96 115.22 118.38 1hk3 n HIS 105 Ca 0.04 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.08 1hk3 n HIS 105 Cb 0.28 -0.01 -0.03 0.00 1.12 0.00 0.00 29.99 31.35 1hk3 n HIS 105 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1hk3 n LYS 106 N 0.30 2.74 -3.60 -0.41 5.02 -1.06 -4.97 118.16 116.19 1hk3 n LYS 106 Ca 0.11 0.99 -0.38 0.00 -2.02 0.00 0.00 58.31 57.01 1hk3 n LYS 106 Cb 0.49 -2.83 -0.11 0.00 -0.02 0.00 0.00 35.03 32.55 1hk3 n LYS 106 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1hk3 s ASP 107 N 1.20 5.87 0.00 4.39 -1.08 -1.26 -4.96 116.67 120.82 1hk3 s ASP 107 Ca 0.76 -0.20 0.28 0.00 -0.52 0.00 0.00 52.55 52.86 1hk3 s ASP 107 Cb -0.52 -2.09 1.55 0.00 -1.46 0.00 0.00 42.92 40.41 1hk3 s ASP 107 CO 0.33 -0.11 1.99 0.47 0.52 0.00 0.00 175.17 178.37 1hk3 n ASP 108 N 5.05 0.00 -2.83 -0.34 8.00 -1.26 -4.06 116.55 121.11 1hk3 n ASP 108 Ca -0.14 -0.53 -0.11 0.00 0.71 0.00 0.00 54.79 54.72 1hk3 n ASP 108 Cb 0.51 -0.13 0.06 0.00 -0.02 0.00 0.00 41.12 41.54 1hk3 n ASP 108 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1hk3 n ASN 109 N -1.13 -1.60 -4.53 -2.24 4.05 -1.26 -5.02 115.26 103.53 1hk3 n ASN 109 Ca 0.17 -3.50 -0.34 0.00 0.45 0.00 0.00 54.58 51.37 1hk3 n ASN 109 Cb 0.15 1.32 0.12 0.00 1.23 0.00 0.00 39.78 42.60 1hk3 n ASN 109 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 177.26 171.56 1hk3 n PRO 110 N 0.30 -0.05 -0.12 1.20 -0.02 -1.26 -4.86 135.00 130.19 1hk3 n PRO 110 Ca 0.10 0.04 0.01 0.00 -2.02 0.00 0.00 63.50 61.63 1hk3 n PRO 110 Cb 0.70 -2.07 0.06 0.00 -0.02 0.00 0.00 33.50 32.16 1hk3 n PRO 110 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 1hk3 n ASN 111 N -1.97 1.61 -4.77 2.55 0.23 -1.26 -4.93 115.26 106.72 1hk3 n ASN 111 Ca 0.10 -2.12 -0.41 0.00 -0.53 0.00 0.00 54.58 51.61 1hk3 n ASN 111 Cb 0.52 -0.50 -0.01 0.00 -2.08 0.00 0.00 39.78 37.71 1hk3 n ASN 111 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 1hk3 s LEU 112 N -0.42 4.34 0.72 -4.53 1.43 -1.26 -4.97 118.68 113.98 1hk3 s LEU 112 Ca 0.08 2.98 -0.16 0.00 -1.03 0.00 0.00 54.13 56.00 1hk3 s LEU 112 Cb 0.06 -3.66 -0.01 0.00 0.03 0.00 0.00 46.19 42.61 1hk3 s LEU 112 CO 0.02 -0.83 0.83 -2.65 0.23 0.00 0.00 176.35 173.95 1hk3 n PRO 113 N 0.82 0.43 -1.76 1.29 -0.02 -1.26 -4.89 135.00 129.60 1hk3 n PRO 113 Ca 0.02 0.20 -0.42 0.00 -2.02 0.00 0.00 63.50 61.28 1hk3 n PRO 113 Cb 0.39 -2.09 -0.03 0.00 -0.02 0.00 0.00 33.50 31.75 1hk3 n PRO 113 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1hk3 s ARG 114 N -3.15 4.14 -1.17 -0.52 3.03 -1.26 -4.89 118.95 115.13 1hk3 s ARG 114 Ca 0.71 2.56 -0.19 0.00 2.03 0.00 0.00 55.73 60.84 1hk3 s ARG 114 Cb -0.35 -3.21 0.08 0.00 -1.03 0.00 0.00 34.95 30.45 1hk3 s ARG 114 CO 0.53 -0.75 1.55 -1.17 -1.13 0.00 0.00 175.30 174.33 1hk3 s LEU 115 N 1.55 4.02 0.27 -1.89 2.96 -1.26 -4.99 118.68 119.34 1hk3 s LEU 115 Ca 0.75 -2.19 -0.05 0.00 -0.22 0.00 0.00 54.13 52.42 1hk3 s LEU 115 Cb -0.48 -2.54 -0.05 0.00 0.50 0.00 0.00 46.19 43.62 1hk3 s LEU 115 CO 0.33 -1.20 0.54 0.54 -1.32 0.00 0.00 176.35 175.23 1hk3 s VAL 116 N 3.94 5.02 -0.21 1.68 0.11 -1.26 -5.09 120.40 124.60 1hk3 s VAL 116 Ca 0.48 0.10 -0.07 0.00 -2.93 0.00 0.00 61.98 59.57 1hk3 s VAL 116 Cb 0.01 -3.71 -0.03 0.00 -1.53 0.00 0.00 36.38 31.12 1hk3 s VAL 116 CO -0.00 -0.27 0.04 0.00 -3.33 0.00 0.00 175.10 171.54 1hk3 s ARG 117 N -3.40 3.74 1.37 1.54 3.03 -1.26 -5.11 118.95 118.86 1hk3 s ARG 117 Ca 0.44 -0.45 -0.23 0.00 2.03 0.00 0.00 55.73 57.52 1hk3 s ARG 117 Cb -0.11 -3.20 0.35 0.00 -1.03 0.00 0.00 34.95 30.96 1hk3 s ARG 117 CO 0.28 0.03 1.00 -2.14 -1.13 0.00 0.00 175.30 173.35 1hk3 s PRO 118 N 1.00 -2.52 0.27 3.89 0.02 -1.26 -4.92 135.00 131.48 1hk3 s PRO 118 Ca 0.03 -0.06 -0.30 0.00 0.02 0.00 0.00 61.00 60.69 1hk3 s PRO 118 Cb -0.14 -1.44 -0.13 0.00 0.02 0.00 0.00 34.50 32.81 1hk3 s PRO 118 CO 0.03 -4.57 1.43 0.39 -0.33 0.00 0.00 177.00 173.95 1hk3 n GLU 119 N -5.37 2.22 -0.35 5.54 -0.58 -1.26 -4.72 120.64 116.12 1hk3 n GLU 119 Ca 0.14 0.79 -0.03 0.00 -0.42 0.00 0.00 57.16 57.65 1hk3 n GLU 119 Cb 0.60 -2.46 0.01 0.00 -0.57 0.00 0.00 31.44 29.03 1hk3 n GLU 119 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1hk3 n VAL 120 N 1.61 -0.49 0.09 2.62 0.31 -1.26 0.11 118.33 121.32 1hk3 n VAL 120 Ca 0.09 2.08 0.03 0.00 -0.01 0.00 0.00 64.34 66.54 1hk3 n VAL 120 Cb 0.34 -2.72 0.41 0.00 -0.91 0.00 0.00 33.84 30.96 1hk3 n VAL 120 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1hk3 h ASP 121 N 0.00 0.29 0.15 4.52 3.32 -1.98 0.09 116.42 122.82 1hk3 h ASP 121 Ca 0.28 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.29 1hk3 h ASP 121 Cb 0.50 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 1hk3 h ASP 121 CO -0.87 0.36 -0.16 0.58 -1.72 0.00 0.00 179.24 177.43 1hk3 h VAL 122 N 0.31 0.65 0.16 -1.35 2.07 0.47 0.14 116.25 118.70 1hk3 h VAL 122 Ca 0.07 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.58 1hk3 h VAL 122 Cb 0.24 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 30.65 1hk3 h VAL 122 CO 0.01 0.00 -0.08 0.24 0.02 0.00 0.00 177.57 177.76 1hk3 h MET 123 N -0.34 -0.20 -1.04 1.57 2.86 -0.96 -2.96 114.93 113.84 1hk3 h MET 123 Ca 0.00 0.01 0.28 0.00 -2.06 0.00 0.00 59.70 57.94 1hk3 h MET 123 Cb 0.33 0.05 -0.12 0.00 0.06 0.00 0.00 31.60 31.92 1hk3 h MET 123 CO -0.04 0.02 0.64 0.00 1.06 0.00 0.00 176.91 178.58 1hk3 h THR 125 N 0.43 1.24 0.00 0.00 2.02 -0.84 -2.62 112.91 113.15 1hk3 h THR 125 Ca 0.66 -0.76 -0.04 0.00 0.77 0.00 0.00 66.41 67.05 1hk3 h THR 125 Cb 1.51 1.59 -0.01 0.00 -1.74 0.00 0.00 68.15 69.50 1hk3 h THR 125 CO -0.44 0.21 -0.18 0.00 0.37 0.00 0.00 175.52 175.49 1hk3 h ALA 126 N 0.74 1.33 -0.01 6.16 0.00 -0.80 0.39 119.26 127.07 1hk3 h ALA 126 Ca 0.02 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 54.64 1hk3 h ALA 126 Cb 0.33 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1hk3 h ALA 126 CO 0.00 0.22 -0.63 0.35 0.00 0.00 0.00 179.25 179.20 1hk3 h PHE 127 N 0.00 0.04 0.02 0.00 3.57 -0.53 -2.92 116.94 117.11 1hk3 h PHE 127 Ca -0.00 -0.01 -0.22 0.00 3.53 0.00 0.00 57.97 61.26 1hk3 h PHE 127 Cb 0.42 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.13 1hk3 h PHE 127 CO 0.00 0.65 -1.18 0.45 -2.23 0.00 0.00 178.31 175.99 1hk3 h HIS 128 N 0.02 0.08 -0.86 0.41 3.86 -1.04 -3.18 115.15 114.43 1hk3 h HIS 128 Ca -0.01 -0.06 0.21 0.00 -1.16 0.00 0.00 60.37 59.35 1hk3 h HIS 128 Cb 1.11 -0.00 -0.06 0.00 1.06 0.00 0.00 27.41 29.52 1hk3 h HIS 128 CO 0.00 1.46 0.59 0.22 0.86 0.00 0.00 177.93 181.06 1hk3 h ASP 129 N -0.85 0.28 -1.20 2.45 1.82 -1.04 -3.37 116.42 114.51 1hk3 h ASP 129 Ca -0.31 0.03 0.05 0.00 -0.39 0.00 0.00 57.03 56.41 1hk3 h ASP 129 Cb 1.37 -0.02 -0.22 0.00 0.68 0.00 0.00 39.33 41.13 1hk3 h ASP 129 CO -0.14 0.11 -0.30 0.21 -1.61 0.00 0.00 179.24 177.52 1hk3 s ASN 130 N -5.70 -1.12 0.01 2.28 3.84 -1.10 -5.05 114.94 108.11 1hk3 s ASN 130 Ca -0.07 0.81 0.03 0.00 0.21 0.00 0.00 52.86 53.84 1hk3 s ASN 130 Cb 0.22 2.01 -0.25 0.00 -0.55 0.00 0.00 41.25 42.68 1hk3 s ASN 130 CO 0.78 -0.26 0.86 -0.08 -2.79 0.00 0.00 177.10 175.61 1hk3 h GLU 131 N 8.03 0.14 -0.05 0.43 4.81 -1.72 -3.27 114.58 122.95 1hk3 h GLU 131 Ca -0.22 -0.24 -0.04 0.00 -0.13 0.00 0.00 59.36 58.73 1hk3 h GLU 131 Cb 1.16 0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.62 1hk3 h GLU 131 CO 0.25 0.94 -0.14 0.93 -0.73 0.00 0.00 179.01 180.26 1hk3 h GLU 132 N 0.04 0.18 0.00 1.92 4.39 -1.94 -2.99 114.58 116.18 1hk3 h GLU 132 Ca -0.22 -0.13 -0.04 0.00 0.34 0.00 0.00 59.36 59.31 1hk3 h GLU 132 Cb 1.97 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 30.63 1hk3 h GLU 132 CO 0.13 0.75 -0.20 1.15 -1.16 0.00 0.00 179.01 179.68 1hk3 h THR 133 N -0.36 0.93 0.06 1.13 2.02 -1.96 -2.25 112.91 112.48 1hk3 h THR 133 Ca -0.00 -0.75 -0.00 0.00 0.77 0.00 0.00 66.41 66.43 1hk3 h THR 133 Cb 0.77 1.43 0.00 0.00 -1.74 0.00 0.00 68.15 68.60 1hk3 h THR 133 CO 0.03 0.20 -0.03 0.15 0.37 0.00 0.00 175.52 176.24 1hk3 h PHE 134 N 0.00 -0.08 -0.28 3.16 3.57 -1.59 -2.13 116.94 119.59 1hk3 h PHE 134 Ca -0.00 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.43 1hk3 h PHE 134 Cb 0.41 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 1hk3 h PHE 134 CO 0.00 0.11 -0.10 -0.07 -2.23 0.00 0.00 178.31 176.03 1hk3 h LEU 135 N -0.26 0.56 -2.14 0.59 3.38 -1.37 -2.52 115.31 113.56 1hk3 h LEU 135 Ca -0.01 -0.39 0.07 0.00 0.09 0.00 0.00 57.88 57.65 1hk3 h LEU 135 Cb 0.23 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1hk3 h LEU 135 CO 0.01 0.82 0.24 0.11 0.09 0.00 0.00 178.44 179.72 1hk3 h LYS 136 N 0.30 0.00 0.20 1.13 1.57 -1.41 0.22 116.57 118.58 1hk3 h LYS 136 Ca 0.07 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1hk3 h LYS 136 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.90 1hk3 h LYS 136 CO 0.03 0.00 -0.09 -0.22 -0.57 0.00 0.00 179.45 178.60 1hk3 h LYS 137 N 0.00 -0.25 -0.10 3.15 1.63 -0.96 -0.61 116.57 119.43 1hk3 h LYS 137 Ca 0.12 0.02 0.03 0.00 -0.85 0.00 0.00 60.65 59.96 1hk3 h LYS 137 Cb 0.60 0.06 -0.06 0.00 -0.60 0.00 0.00 32.23 32.23 1hk3 h LYS 137 CO -0.00 0.06 -0.51 -0.92 -3.45 0.00 0.00 179.45 174.63 1hk3 h TYR 138 N -0.58 -1.52 -1.01 1.91 3.20 -0.34 -0.18 116.97 118.45 1hk3 h TYR 138 Ca -0.03 0.06 0.07 0.00 3.14 0.00 0.00 58.73 61.97 1hk3 h TYR 138 Cb 0.43 0.68 -0.07 0.00 1.54 0.00 0.00 36.73 39.31 1hk3 h TYR 138 CO 0.03 -0.52 0.65 -0.07 -1.64 0.00 0.00 178.16 176.60 1hk3 h LEU 139 N -0.57 1.03 0.78 2.82 3.38 -1.15 -1.49 115.31 120.11 1hk3 h LEU 139 Ca 0.03 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 1hk3 h LEU 139 Cb 0.65 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 1hk3 h LEU 139 CO -0.39 0.64 -0.46 0.22 0.09 0.00 0.00 178.44 178.54 1hk3 h TYR 140 N 1.16 -1.22 0.26 1.13 3.20 -0.38 -1.23 116.97 119.88 1hk3 h TYR 140 Ca 0.44 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.29 1hk3 h TYR 140 Cb 0.21 0.43 -0.02 0.00 1.54 0.00 0.00 36.73 38.89 1hk3 h TYR 140 CO -0.00 -0.70 -0.31 0.93 -1.64 0.00 0.00 178.16 176.45 1hk3 h GLU 141 N -1.15 -0.55 -0.97 1.82 4.39 -0.85 -1.27 114.58 115.99 1hk3 h GLU 141 Ca -0.11 0.04 0.21 0.00 0.34 0.00 0.00 59.36 59.84 1hk3 h GLU 141 Cb 0.92 0.13 -0.11 0.00 -0.10 0.00 0.00 28.75 29.58 1hk3 h GLU 141 CO 0.12 -0.37 0.56 0.82 -1.16 0.00 0.00 179.01 178.98 1hk3 h ILE 142 N -0.57 0.61 -0.27 3.13 5.03 -1.36 -1.09 117.51 122.98 1hk3 h ILE 142 Ca -0.03 -0.22 -0.12 0.00 -0.12 0.00 0.00 64.86 64.37 1hk3 h ILE 142 Cb 0.51 -0.08 -0.01 0.00 -3.03 0.00 0.00 36.82 34.21 1hk3 h ILE 142 CO -0.07 0.12 -0.35 0.00 -0.68 0.00 0.00 178.15 177.18 1hk3 h ALA 143 N 1.68 0.89 0.00 1.87 0.00 -0.94 -2.19 119.26 120.56 1hk3 h ALA 143 Ca 0.59 -0.41 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 1hk3 h ALA 143 Cb 1.02 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1hk3 h ALA 143 CO -0.44 0.63 -0.39 0.07 0.00 0.00 0.00 179.25 179.12 1hk3 h ARG 144 N 0.51 0.00 0.00 0.00 0.11 -0.02 -3.05 114.38 111.93 1hk3 h ARG 144 Ca 0.05 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.13 1hk3 h ARG 144 Cb 0.84 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.92 1hk3 h ARG 144 CO 0.07 0.39 -0.66 0.54 0.10 0.00 0.00 179.97 180.42 1hk3 n ARG 145 N -3.33 0.13 -3.36 0.08 1.74 -0.73 -4.46 116.66 106.74 1hk3 n ARG 145 Ca 0.01 0.02 -0.26 0.00 -0.77 0.00 0.00 57.85 56.85 1hk3 n ARG 145 Cb 0.61 -1.56 -0.09 0.00 -1.02 0.00 0.00 32.46 30.39 1hk3 n ARG 145 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1hk3 n HIS 146 N -1.74 -0.89 0.59 -1.55 8.25 -0.83 -4.90 115.22 114.15 1hk3 n HIS 146 Ca 0.04 -3.32 0.01 0.00 -0.26 0.00 0.00 57.72 54.19 1hk3 n HIS 146 Cb 0.38 0.19 0.05 0.00 1.12 0.00 0.00 29.99 31.73 1hk3 n HIS 146 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1hk3 n PRO 147 N 2.63 0.29 0.00 -0.41 -0.04 -1.16 -2.04 135.00 134.28 1hk3 n PRO 147 Ca 0.29 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.75 1hk3 n PRO 147 Cb 0.49 -1.08 0.00 0.00 -0.04 0.00 0.00 33.50 32.86 1hk3 n PRO 147 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1hk3 n TYR 148 N -0.58 0.00 -1.61 0.54 4.02 -1.26 -4.94 117.16 113.32 1hk3 n TYR 148 Ca 0.01 -0.03 -0.49 0.00 -0.01 0.00 0.00 57.90 57.38 1hk3 n TYR 148 Cb 0.01 -0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.28 1hk3 n TYR 148 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1hk3 n PHE 149 N -0.03 1.70 -1.54 -0.72 -0.00 -0.87 -4.75 117.46 111.25 1hk3 n PHE 149 Ca 0.00 0.55 -0.35 0.00 -0.00 0.00 0.00 57.45 57.65 1hk3 n PHE 149 Cb 0.14 -2.38 -0.05 0.00 -0.00 0.00 0.00 39.48 37.19 1hk3 n PHE 149 CO 0.00 0.00 0.00 0.98 -0.00 0.00 0.00 176.76 177.74 1hk3 n TYR 150 N 2.27 1.26 -0.29 -5.13 9.36 -1.26 -4.87 117.16 118.50 1hk3 n TYR 150 Ca 0.16 0.14 -0.09 0.00 3.32 0.00 0.00 57.90 61.44 1hk3 n TYR 150 Cb 0.25 -2.57 -0.05 0.00 -0.63 0.00 0.00 39.34 36.34 1hk3 n TYR 150 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 1hk3 h ALA 151 N 17.86 -0.38 -0.69 2.98 0.00 -1.90 -1.41 119.26 135.72 1hk3 h ALA 151 Ca -0.19 0.12 0.14 0.00 0.00 0.00 0.00 54.91 54.99 1hk3 h ALA 151 Cb 1.25 1.12 -0.10 0.00 0.00 0.00 0.00 17.79 20.06 1hk3 h ALA 151 CO 1.19 -0.87 0.16 -1.35 0.00 0.00 0.00 179.25 178.38 1hk3 h PRO 152 N -0.15 0.27 -0.02 0.00 0.11 -1.90 0.67 132.00 130.97 1hk3 h PRO 152 Ca 0.19 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 66.21 1hk3 h PRO 152 Cb 0.53 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.57 1hk3 h PRO 152 CO -0.80 0.18 -0.31 0.93 -0.21 0.00 0.00 178.00 177.78 1hk3 h GLU 153 N 0.27 0.04 -0.16 1.05 4.39 -1.75 -2.37 114.58 116.06 1hk3 h GLU 153 Ca 0.38 -0.01 -0.05 0.00 0.34 0.00 0.00 59.36 60.01 1hk3 h GLU 153 Cb 0.61 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.25 1hk3 h GLU 153 CO -0.47 0.36 -0.14 1.25 -1.16 0.00 0.00 179.01 178.85 1hk3 h LEU 154 N 0.04 0.24 -0.95 1.33 5.85 0.16 -0.07 115.31 121.91 1hk3 h LEU 154 Ca 0.00 -0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.59 1hk3 h LEU 154 Cb 0.58 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 1hk3 h LEU 154 CO 0.04 0.40 -0.16 -0.07 -0.34 0.00 0.00 178.44 178.31 1hk3 h LEU 155 N 0.24 0.57 -0.62 2.25 3.38 -1.05 0.09 115.31 120.17 1hk3 h LEU 155 Ca 0.05 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 1hk3 h LEU 155 Cb 0.39 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 1hk3 h LEU 155 CO 0.02 0.75 0.17 0.15 0.09 0.00 0.00 178.44 179.62 1hk3 h PHE 156 N 0.53 1.02 -0.45 1.13 3.57 -0.96 -2.27 116.94 119.51 1hk3 h PHE 156 Ca 0.09 -0.11 -0.12 0.00 3.53 0.00 0.00 57.97 61.36 1hk3 h PHE 156 Cb 0.58 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 1hk3 h PHE 156 CO 0.02 0.85 -0.17 0.74 -2.23 0.00 0.00 178.31 177.52 1hk3 h PHE 157 N 0.90 1.03 -0.29 0.41 -1.00 -0.77 -2.81 116.94 114.41 1hk3 h PHE 157 Ca 0.20 -0.24 0.06 0.00 2.81 0.00 0.00 57.97 60.79 1hk3 h PHE 157 Cb 0.33 -0.24 -0.05 0.00 3.61 0.00 0.00 35.95 39.59 1hk3 h PHE 157 CO 0.02 1.03 -0.06 0.00 -1.61 0.00 0.00 178.31 177.69 1hk3 h ALA 158 N 0.85 0.21 0.00 2.45 0.00 -0.76 0.11 119.26 122.11 1hk3 h ALA 158 Ca 0.10 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 1hk3 h ALA 158 Cb 0.73 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 1hk3 h ALA 158 CO 0.06 -0.45 -0.13 -0.22 0.00 0.00 0.00 179.25 178.50 1hk3 h LYS 159 N 0.02 0.00 0.00 0.00 3.64 -1.35 0.62 116.57 119.49 1hk3 h LYS 159 Ca 0.14 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.47 1hk3 h LYS 159 Cb 0.21 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 1hk3 h LYS 159 CO -0.29 0.13 -0.42 0.00 -2.27 0.00 0.00 179.45 176.61 1hk3 h ARG 160 N 0.00 0.00 -0.09 1.90 3.08 -0.98 -2.39 114.38 115.91 1hk3 h ARG 160 Ca -0.00 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.90 1hk3 h ARG 160 Cb 0.26 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.31 1hk3 h ARG 160 CO 0.02 0.18 -0.52 -0.92 -1.07 0.00 0.00 179.97 177.66 1hk3 h TYR 161 N 0.00 0.69 -0.46 3.04 3.20 0.61 -2.81 116.97 121.25 1hk3 h TYR 161 Ca -0.01 -0.31 -0.01 0.00 3.14 0.00 0.00 58.73 61.53 1hk3 h TYR 161 Cb 1.17 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 39.31 1hk3 h TYR 161 CO 0.00 1.09 0.26 -0.22 -1.64 0.00 0.00 178.16 177.65 1hk3 h LYS 162 N 0.09 0.64 -0.70 1.82 3.64 -0.94 -2.37 116.57 118.74 1hk3 h LYS 162 Ca -0.04 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.28 1hk3 h LYS 162 Cb 1.17 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.83 1hk3 h LYS 162 CO 0.11 0.50 0.46 0.00 -2.27 0.00 0.00 179.45 178.25 1hk3 h ALA 163 N 1.11 1.53 0.33 5.00 0.00 -1.46 -1.92 119.26 123.84 1hk3 h ALA 163 Ca 0.16 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1hk3 h ALA 163 Cb 0.04 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1hk3 h ALA 163 CO -0.03 0.43 -0.16 0.00 0.00 0.00 0.00 179.25 179.49 1hk3 h ALA 164 N 1.57 -0.44 0.00 0.00 0.00 -1.15 -2.40 119.26 116.83 1hk3 h ALA 164 Ca 0.26 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1hk3 h ALA 164 Cb -0.06 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1hk3 h ALA 164 CO -0.06 -0.73 -0.23 0.74 0.00 0.00 0.00 179.25 178.97 1hk3 h PHE 165 N -0.47 0.00 0.00 0.00 0.04 -1.24 0.47 116.94 115.74 1hk3 h PHE 165 Ca -0.04 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.65 1hk3 h PHE 165 Cb 0.35 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.49 1hk3 h PHE 165 CO -0.05 0.23 -0.38 1.15 -0.60 0.00 0.00 178.31 178.66 1hk3 h THR 166 N 0.00 0.62 0.00 -1.55 2.02 -1.24 -2.88 112.91 109.88 1hk3 h THR 166 Ca -0.00 -1.88 -0.07 0.00 0.77 0.00 0.00 66.41 65.23 1hk3 h THR 166 Cb 0.46 2.30 -0.01 0.00 -1.74 0.00 0.00 68.15 69.16 1hk3 h THR 166 CO 0.03 0.35 -1.94 -0.62 0.37 0.00 0.00 175.52 173.71 1hk3 n GLU 167 N -3.18 0.70 -0.06 6.66 4.71 -0.92 -4.58 120.64 123.97 1hk3 n GLU 167 Ca 0.02 -0.14 -0.07 0.00 -0.01 0.00 0.00 57.16 56.96 1hk3 n GLU 167 Cb 0.68 -1.45 -0.15 0.00 -1.01 0.00 0.00 31.44 29.51 1hk3 n GLU 167 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1hk3 n GLN 170 N -0.55 1.58 -3.95 0.00 7.27 -1.26 -5.08 117.38 115.39 1hk3 n GLN 170 Ca 0.02 -3.70 -0.09 0.00 0.07 0.00 0.00 57.00 53.31 1hk3 n GLN 170 Cb 0.01 -1.75 -0.05 0.00 2.41 0.00 0.00 30.24 30.87 1hk3 n GLN 170 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1hk3 s ALA 171 N -2.83 -0.49 0.03 1.69 0.00 -1.24 -5.01 121.76 113.91 1hk3 s ALA 171 Ca 0.40 -0.70 -0.09 0.00 0.00 0.00 0.00 51.96 51.56 1hk3 s ALA 171 Cb 0.36 1.00 -0.03 0.00 0.00 0.00 0.00 23.12 24.45 1hk3 s ALA 171 CO -0.07 -0.88 1.15 0.00 0.00 0.00 0.00 175.76 175.96 1hk3 h ALA 172 N 2.21 -0.53 -3.05 0.00 0.00 -1.98 -3.40 119.26 112.52 1hk3 h ALA 172 Ca -0.25 -0.01 -0.66 0.00 0.00 0.00 0.00 54.91 53.98 1hk3 h ALA 172 Cb 1.25 0.72 -0.10 0.00 0.00 0.00 0.00 17.79 19.66 1hk3 h ALA 172 CO 0.33 -0.59 -0.56 0.34 0.00 0.00 0.00 179.25 178.78 1hk3 s ASP 173 N -3.23 5.75 -0.07 0.00 -1.08 -1.26 -5.03 116.67 111.74 1hk3 s ASP 173 Ca -0.04 0.22 -0.09 0.00 -0.52 0.00 0.00 52.55 52.12 1hk3 s ASP 173 Cb 0.02 -1.70 -0.04 0.00 -1.46 0.00 0.00 42.92 39.74 1hk3 s ASP 173 CO 0.17 0.32 -0.18 0.29 0.52 0.00 0.00 175.17 176.29 1hk3 n LYS 174 N 1.55 0.28 0.00 4.34 5.02 -1.26 -4.23 118.16 123.86 1hk3 n LYS 174 Ca -0.16 0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 1hk3 n LYS 174 Cb 0.53 -0.99 0.00 0.00 -0.02 0.00 0.00 35.03 34.55 1hk3 n LYS 174 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1hk3 n ALA 175 N -3.91 1.46 0.13 7.82 0.00 -1.26 0.85 120.51 125.60 1hk3 n ALA 175 Ca -0.13 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.37 1hk3 n ALA 175 Cb 0.38 -0.98 -0.09 0.00 0.00 0.00 0.00 19.45 18.77 1hk3 n ALA 175 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1hk3 n ALA 176 N -0.99 2.70 -0.11 0.00 0.00 -1.26 -4.30 120.51 116.55 1hk3 n ALA 176 Ca 0.00 -0.30 -0.19 0.00 0.00 0.00 0.00 53.44 52.95 1hk3 n ALA 176 Cb 0.00 -0.41 -0.07 0.00 0.00 0.00 0.00 19.45 18.97 1hk3 n ALA 176 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1hk3 n LEU 178 N -4.37 0.56 -0.22 0.00 7.94 0.17 -3.95 117.00 117.13 1hk3 n LEU 178 Ca -0.34 0.57 0.00 0.00 -1.11 0.00 0.00 56.01 55.13 1hk3 n LEU 178 Cb 0.69 -0.27 0.03 0.00 0.53 0.00 0.00 43.42 44.41 1hk3 n LEU 178 CO 0.12 -0.27 0.35 0.18 -1.11 0.00 0.00 177.39 176.66 1hk3 n LEU 179 N -1.31 -0.35 -0.14 -1.96 4.77 -1.26 0.14 117.00 116.89 1hk3 n LEU 179 Ca 0.00 1.01 0.21 0.00 -0.03 0.00 0.00 56.01 57.19 1hk3 n LEU 179 Cb 0.00 -0.24 0.61 0.00 -2.33 0.00 0.00 43.42 41.45 1hk3 n LEU 179 CO 0.00 -0.91 1.22 -0.65 -1.33 0.00 0.00 177.39 175.71 1hk3 h PRO 180 N 0.00 0.20 0.13 3.23 0.11 -1.82 0.19 132.00 134.04 1hk3 h PRO 180 Ca 0.21 -0.01 -0.32 0.00 0.11 0.00 0.00 66.00 65.99 1hk3 h PRO 180 Cb 0.36 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.42 1hk3 h PRO 180 CO -0.58 0.13 -1.60 0.87 -0.21 0.00 0.00 178.00 176.61 1hk3 h LYS 181 N 0.20 0.28 0.00 1.05 1.57 0.11 -3.16 116.57 116.63 1hk3 h LYS 181 Ca 0.38 -0.48 -0.04 0.00 -1.87 0.00 0.00 60.65 58.63 1hk3 h LYS 181 Cb 1.17 0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.65 1hk3 h LYS 181 CO -0.08 1.15 -0.18 -0.07 -0.57 0.00 0.00 179.45 179.71 1hk3 h LEU 182 N 0.08 0.00 0.66 2.94 3.38 0.15 -2.36 115.31 120.15 1hk3 h LEU 182 Ca -0.27 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.66 1hk3 h LEU 182 Cb 2.04 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.80 1hk3 h LEU 182 CO 0.16 0.18 -0.32 0.44 0.09 0.00 0.00 178.44 179.00 1hk3 h ASP 183 N 0.00 -0.75 -0.54 -0.43 3.32 -0.74 -2.84 116.42 114.44 1hk3 h ASP 183 Ca -0.00 0.01 0.16 0.00 0.02 0.00 0.00 57.03 57.21 1hk3 h ASP 183 Cb 0.37 0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.09 1hk3 h ASP 183 CO 0.02 -0.37 0.42 -0.08 -1.72 0.00 0.00 179.24 177.51 1hk3 h GLU 184 N -1.21 0.00 -0.00 3.56 4.81 -1.48 -2.14 114.58 118.13 1hk3 h GLU 184 Ca -0.09 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.13 1hk3 h GLU 184 Cb 0.70 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.08 1hk3 h GLU 184 CO 0.15 0.00 -0.03 -0.07 -0.73 0.00 0.00 179.01 178.33 1hk3 h LEU 185 N 0.00 0.03 -1.76 1.64 3.38 -1.42 -1.68 115.31 115.50 1hk3 h LEU 185 Ca 0.26 -0.76 0.05 0.00 0.09 0.00 0.00 57.88 57.51 1hk3 h LEU 185 Cb 1.08 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 1hk3 h LEU 185 CO -0.00 0.78 0.25 0.03 0.09 0.00 0.00 178.44 179.59 1hk3 h ARG 186 N -0.72 0.30 0.04 1.13 2.47 -1.19 1.25 114.38 117.66 1hk3 h ARG 186 Ca -0.00 -0.02 -0.00 0.00 -1.26 0.00 0.00 59.98 58.70 1hk3 h ARG 186 Cb 0.78 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 29.04 1hk3 h ARG 186 CO 0.01 0.20 -0.02 -0.44 0.56 0.00 0.00 179.97 180.27 1hk3 h ASP 187 N 0.31 -0.05 0.20 7.04 5.19 -1.44 -0.96 116.42 126.71 1hk3 h ASP 187 Ca 0.16 -0.56 -0.05 0.00 -0.62 0.00 0.00 57.03 55.96 1hk3 h ASP 187 Cb 0.25 0.01 -0.01 0.00 0.18 0.00 0.00 39.33 39.76 1hk3 h ASP 187 CO -0.03 0.57 -0.22 -0.08 -3.12 0.00 0.00 179.24 176.36 1hk3 h GLU 188 N -0.70 0.03 -0.04 3.56 4.81 -0.73 -2.22 114.58 119.30 1hk3 h GLU 188 Ca -0.01 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1hk3 h GLU 188 Cb 0.61 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.98 1hk3 h GLU 188 CO 0.01 0.25 0.01 0.78 -0.73 0.00 0.00 179.01 179.33 1hk3 h GLY 189 N 0.69 0.06 1.12 1.92 0.00 0.16 -1.67 103.07 105.37 1hk3 h GLY 189 Ca 0.00 -0.04 0.04 0.00 0.00 0.00 0.00 47.33 47.33 1hk3 h GLY 189 CO 0.03 0.04 0.50 0.50 0.00 0.00 0.00 176.54 177.61 1hk3 h LYS 190 N -0.19 0.89 -0.47 4.80 1.57 -0.66 -1.38 116.57 121.12 1hk3 h LYS 190 Ca 0.01 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.66 1hk3 h LYS 190 Cb 0.27 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 1hk3 h LYS 190 CO 0.00 0.59 -0.02 0.00 -0.57 0.00 0.00 179.45 179.45 1hk3 h ALA 191 N 1.56 0.64 0.26 3.86 0.00 -1.28 -1.65 119.26 122.64 1hk3 h ALA 191 Ca 0.31 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1hk3 h ALA 191 Cb 0.07 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1hk3 h ALA 191 CO -0.09 0.46 -0.18 1.03 0.00 0.00 0.00 179.25 180.47 1hk3 h SER 192 N 0.70 -0.45 -0.30 0.00 0.87 -0.31 0.20 113.55 114.25 1hk3 h SER 192 Ca 0.13 0.03 0.05 0.00 -1.23 0.00 0.00 61.79 60.77 1hk3 h SER 192 Cb 0.54 0.14 -0.05 0.00 -0.44 0.00 0.00 62.40 62.59 1hk3 h SER 192 CO 0.03 -0.28 0.01 -1.28 -0.53 0.00 0.00 176.83 174.78 1hk3 h SER 193 N -0.44 -0.09 0.23 6.23 0.87 -1.29 -0.45 113.55 118.60 1hk3 h SER 193 Ca -0.02 0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.60 1hk3 h SER 193 Cb 0.37 0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.42 1hk3 h SER 193 CO 0.01 -0.01 -0.31 0.00 -0.53 0.00 0.00 176.83 175.99 1hk3 h ALA 194 N 1.25 -0.94 -0.91 6.23 0.00 -0.96 0.15 119.26 124.09 1hk3 h ALA 194 Ca 0.14 -0.10 0.25 0.00 0.00 0.00 0.00 54.91 55.20 1hk3 h ALA 194 Cb 0.19 0.61 -0.16 0.00 0.00 0.00 0.00 17.79 18.42 1hk3 h ALA 194 CO -0.23 -0.98 0.11 -0.22 0.00 0.00 0.00 179.25 177.93 1hk3 h LYS 195 N -0.56 0.09 -0.05 0.00 3.64 -0.33 0.10 116.57 119.45 1hk3 h LYS 195 Ca -0.03 -0.01 -0.16 0.00 -1.27 0.00 0.00 60.65 59.19 1hk3 h LYS 195 Cb 0.50 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.29 1hk3 h LYS 195 CO -0.08 0.06 -0.66 0.37 -2.27 0.00 0.00 179.45 176.86 1hk3 h GLN 196 N 0.09 0.23 -0.25 1.90 5.75 -0.58 -3.08 115.11 119.17 1hk3 h GLN 196 Ca 0.56 -0.17 -0.01 0.00 -0.15 0.00 0.00 58.65 58.87 1hk3 h GLN 196 Cb 1.13 0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.70 1hk3 h GLN 196 CO -0.78 0.81 0.09 -0.09 -2.65 0.00 0.00 178.83 176.20 1hk3 h ARG 197 N 0.16 0.35 -0.46 1.69 9.65 0.19 -0.95 114.38 125.01 1hk3 h ARG 197 Ca -0.01 -0.04 -0.09 0.00 -1.10 0.00 0.00 59.98 58.74 1hk3 h ARG 197 Cb 1.19 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 29.68 1hk3 h ARG 197 CO 0.10 0.30 -0.05 1.25 2.80 0.00 0.00 179.97 184.37 1hk3 h LEU 198 N 0.35 0.84 0.24 3.80 5.85 -1.40 -0.06 115.31 124.93 1hk3 h LEU 198 Ca 0.09 -0.33 -0.01 0.00 0.84 0.00 0.00 57.88 58.46 1hk3 h LEU 198 Cb 0.09 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 40.90 1hk3 h LEU 198 CO -0.01 0.97 -0.12 0.11 -0.34 0.00 0.00 178.44 179.06 1hk3 h LYS 199 N 0.68 -0.31 -0.93 1.25 1.57 -1.30 0.32 116.57 117.85 1hk3 h LYS 199 Ca 0.12 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1hk3 h LYS 199 Cb 0.58 0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.91 1hk3 h LYS 199 CO 0.03 -0.16 0.59 0.00 -0.57 0.00 0.00 179.45 179.34 1hk3 h ALA 201 N 1.32 0.40 0.11 0.00 0.00 -0.73 -1.99 119.26 118.37 1hk3 h ALA 201 Ca 0.34 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.19 1hk3 h ALA 201 Cb -0.10 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 1hk3 h ALA 201 CO -0.07 -0.07 -0.35 0.77 0.00 0.00 0.00 179.25 179.53 1hk3 h SER 202 N 0.38 -1.02 -0.53 0.00 0.02 0.25 -0.44 113.55 112.21 1hk3 h SER 202 Ca 0.11 0.12 0.10 0.00 -0.84 0.00 0.00 61.79 61.27 1hk3 h SER 202 Cb 0.07 0.39 -0.08 0.00 0.14 0.00 0.00 62.40 62.91 1hk3 h SER 202 CO -0.02 -0.43 0.07 -0.07 -1.14 0.00 0.00 176.83 175.24 1hk3 h LEU 203 N -0.57 -0.07 0.34 5.07 3.38 -1.35 -1.40 115.31 120.70 1hk3 h LEU 203 Ca 0.03 0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 1hk3 h LEU 203 Cb 0.61 0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1hk3 h LEU 203 CO -0.21 -0.01 -0.16 1.56 0.09 0.00 0.00 178.44 179.70 1hk3 h GLN 204 N 0.20 -0.44 0.00 1.13 4.20 -0.95 0.56 115.11 119.81 1hk3 h GLN 204 Ca 0.27 0.03 0.00 0.00 0.06 0.00 0.00 58.65 59.01 1hk3 h GLN 204 Cb 0.40 0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.28 1hk3 h GLN 204 CO -0.39 -0.12 0.00 1.63 -0.67 0.00 0.00 178.83 179.28 1hk3 n LYS 205 N -5.12 0.26 0.00 1.46 5.02 -0.21 -4.22 118.16 115.35 1hk3 n LYS 205 Ca -0.09 0.22 0.00 0.00 -2.02 0.00 0.00 58.31 56.42 1hk3 n LYS 205 Cb 0.27 -1.81 0.00 0.00 -0.02 0.00 0.00 35.03 33.47 1hk3 n LYS 205 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1hk3 n PHE 206 N -2.26 0.00 0.00 2.13 3.72 -0.54 -5.08 117.46 115.43 1hk3 n PHE 206 Ca 0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.45 1hk3 n PHE 206 Cb 0.42 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.96 1hk3 n PHE 206 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1hk3 n GLY 207 N 0.25 -0.92 0.27 1.37 0.00 0.19 -4.23 105.19 102.13 1hk3 n GLY 207 Ca 0.00 -1.61 -0.01 0.00 0.00 0.00 0.00 46.02 44.41 1hk3 n GLY 207 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1hk3 h GLU 208 N 0.00 0.52 -0.66 1.61 4.11 -1.87 -2.48 114.58 115.81 1hk3 h GLU 208 Ca 0.00 -0.12 0.14 0.00 0.07 0.00 0.00 59.36 59.45 1hk3 h GLU 208 Cb 0.00 -0.07 -0.10 0.00 0.50 0.00 0.00 28.75 29.08 1hk3 h GLU 208 CO 0.00 0.58 0.10 -0.09 0.07 0.00 0.00 179.01 179.67 1hk3 h ARG 209 N 0.50 0.21 -0.55 1.06 9.65 -1.95 0.28 114.38 123.58 1hk3 h ARG 209 Ca 0.10 -0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 58.97 1hk3 h ARG 209 Cb 0.38 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 28.88 1hk3 h ARG 209 CO 0.02 0.14 0.32 0.00 2.80 0.00 0.00 179.97 183.24 1hk3 h ALA 210 N 1.56 0.70 0.00 2.80 0.00 -1.62 -2.52 119.26 120.18 1hk3 h ALA 210 Ca 0.36 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 1hk3 h ALA 210 Cb 0.59 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1hk3 h ALA 210 CO -0.49 0.20 -0.10 0.35 0.00 0.00 0.00 179.25 179.21 1hk3 h PHE 211 N 0.74 0.00 -0.11 0.00 3.57 -0.45 -2.65 116.94 118.04 1hk3 h PHE 211 Ca 0.20 0.00 -0.11 0.00 3.53 0.00 0.00 57.97 61.59 1hk3 h PHE 211 Cb 0.00 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.75 1hk3 h PHE 211 CO -0.02 0.10 -0.36 0.87 -2.23 0.00 0.00 178.31 176.66 1hk3 h LYS 212 N 0.00 0.43 -0.14 1.11 1.57 -0.17 -1.55 116.57 117.81 1hk3 h LYS 212 Ca -0.00 -0.32 0.03 0.00 -1.87 0.00 0.00 60.65 58.49 1hk3 h LYS 212 Cb 0.17 0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.51 1hk3 h LYS 212 CO 0.01 0.95 -0.04 0.00 -0.57 0.00 0.00 179.45 179.80 1hk3 h ALA 213 N 0.49 0.09 -0.00 3.86 0.00 -1.37 -1.14 119.26 121.18 1hk3 h ALA 213 Ca -0.02 0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1hk3 h ALA 213 Cb 0.99 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.85 1hk3 h ALA 213 CO 0.08 -0.49 -0.47 2.35 0.00 0.00 0.00 179.25 180.72 1hk3 h TRP 214 N -0.01 -1.38 -0.79 0.00 7.01 -1.47 -1.96 115.95 117.36 1hk3 h TRP 214 Ca 0.07 0.04 0.20 0.00 2.11 0.00 0.00 58.89 61.32 1hk3 h TRP 214 Cb 0.12 0.60 -0.04 0.00 -2.10 0.00 0.00 29.16 27.74 1hk3 h TRP 214 CO -0.19 -0.50 0.55 0.00 -2.79 0.00 0.00 178.44 175.51 1hk3 h ALA 215 N -0.56 2.49 0.00 2.65 0.00 -0.97 -0.51 119.26 122.35 1hk3 h ALA 215 Ca 0.01 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1hk3 h ALA 215 Cb 0.63 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1hk3 h ALA 215 CO -0.32 -0.72 -0.27 0.28 0.00 0.00 0.00 179.25 178.23 1hk3 h VAL 216 N 0.17 1.01 0.04 0.00 2.07 -0.41 -3.02 116.25 116.10 1hk3 h VAL 216 Ca 0.39 -0.98 -0.00 0.00 0.82 0.00 0.00 66.70 66.92 1hk3 h VAL 216 Cb 1.27 1.56 0.00 0.00 -1.52 0.00 0.00 31.29 32.60 1hk3 h VAL 216 CO -0.07 0.26 -0.02 0.00 0.02 0.00 0.00 177.57 177.77 1hk3 h ALA 217 N 1.73 -0.05 -0.61 1.67 0.00 -0.94 -2.52 119.26 118.55 1hk3 h ALA 217 Ca -0.00 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.51 1hk3 h ALA 217 Cb 0.54 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1hk3 h ALA 217 CO 0.03 -0.16 0.09 -1.35 0.00 0.00 0.00 179.25 177.86 1hk3 h PRO 218 N -0.78 1.01 -0.27 0.00 0.11 -1.62 -2.50 132.00 127.95 1hk3 h PRO 218 Ca -0.01 -0.28 -0.04 0.00 0.11 0.00 0.00 66.00 65.79 1hk3 h PRO 218 Cb 0.67 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.65 1hk3 h PRO 218 CO 0.01 0.95 0.01 -0.07 -0.21 0.00 0.00 178.00 178.70 1hk3 h LEU 219 N 0.92 0.45 -2.28 2.35 3.38 -1.66 -0.92 115.31 117.55 1hk3 h LEU 219 Ca 0.18 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1hk3 h LEU 219 Cb 0.44 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1hk3 h LEU 219 CO 0.01 0.64 0.00 0.28 0.09 0.00 0.00 178.44 179.46 1hk3 h SER 220 N 0.26 0.00 0.03 -0.43 0.02 -1.39 0.20 113.55 112.24 1hk3 h SER 220 Ca 0.08 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.94 1hk3 h SER 220 Cb 0.40 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.94 1hk3 h SER 220 CO 0.01 0.00 -0.43 1.56 -1.14 0.00 0.00 176.83 176.84 1hk3 h GLN 221 N 0.00 0.07 0.00 3.45 4.20 -0.94 -3.20 115.11 118.69 1hk3 h GLN 221 Ca 0.00 -0.12 -0.07 0.00 0.06 0.00 0.00 58.65 58.52 1hk3 h GLN 221 Cb 0.19 0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 1hk3 h GLN 221 CO 0.00 1.06 -0.32 0.00 -0.67 0.00 0.00 178.83 178.90 1hk3 h ARG 222 N -0.84 0.00 -2.21 1.46 2.47 -0.73 -3.34 114.38 111.20 1hk3 h ARG 222 Ca -0.10 0.00 -0.56 0.00 -1.26 0.00 0.00 59.98 58.06 1hk3 h ARG 222 Cb 1.21 0.00 -0.41 0.00 -1.65 0.00 0.00 29.97 29.12 1hk3 h ARG 222 CO 0.00 0.32 -0.79 1.19 0.56 0.00 0.00 179.97 181.24 1hk3 n PHE 223 N -3.64 3.00 0.11 3.04 3.72 0.65 -1.68 117.46 122.66 1hk3 n PHE 223 Ca -0.01 -3.95 0.20 0.00 -0.05 0.00 0.00 57.45 53.64 1hk3 n PHE 223 Cb 0.43 -0.47 0.76 0.00 -0.94 0.00 0.00 39.48 39.26 1hk3 n PHE 223 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1hk3 h PRO 224 N 2.98 0.00 0.00 -1.08 0.11 -1.67 -0.85 132.00 131.50 1hk3 h PRO 224 Ca 0.12 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 66.09 1hk3 h PRO 224 Cb 0.63 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.72 1hk3 h PRO 224 CO 0.73 0.00 -0.76 0.87 -0.21 0.00 0.00 178.00 178.63 1hk3 h LYS 225 N 0.00 0.00 -6.96 1.05 1.79 -1.83 -3.45 116.57 107.18 1hk3 h LYS 225 Ca 0.18 0.00 -0.56 0.00 -2.18 0.00 0.00 60.65 58.09 1hk3 h LYS 225 Cb 0.98 0.00 0.15 0.00 -1.58 0.00 0.00 32.23 31.78 1hk3 h LYS 225 CO -0.00 0.56 0.42 0.00 -1.08 0.00 0.00 179.45 179.35 1hk3 n ALA 226 N -2.28 1.00 -1.96 3.86 0.00 -0.33 -4.93 120.51 115.88 1hk3 n ALA 226 Ca -0.00 0.08 -0.34 0.00 0.00 0.00 0.00 53.44 53.17 1hk3 n ALA 226 Cb 0.80 -2.26 -0.06 0.00 0.00 0.00 0.00 19.45 17.92 1hk3 n ALA 226 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1hk3 s GLU 227 N -2.86 4.25 0.42 0.00 0.41 -1.26 -4.92 118.70 114.74 1hk3 s GLU 227 Ca 0.74 0.99 0.21 0.00 -0.41 0.00 0.00 54.97 56.50 1hk3 s GLU 227 Cb -0.42 -2.54 1.16 0.00 -1.78 0.00 0.00 34.13 30.56 1hk3 s GLU 227 CO 0.48 0.18 1.78 0.35 -0.49 0.00 0.00 175.26 177.55 1hk3 h PHE 228 N 2.61 0.57 -0.62 1.61 3.57 -1.98 0.39 116.94 123.09 1hk3 h PHE 228 Ca -0.48 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 60.95 1hk3 h PHE 228 Cb 1.18 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.74 1hk3 h PHE 228 CO 0.62 0.05 0.02 0.00 -2.23 0.00 0.00 178.31 176.77 1hk3 h ALA 229 N 1.60 0.85 -0.33 2.41 0.00 -2.00 -1.80 119.26 120.00 1hk3 h ALA 229 Ca 0.59 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 1hk3 h ALA 229 Cb 1.60 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 1hk3 h ALA 229 CO -0.26 0.67 0.17 1.49 0.00 0.00 0.00 179.25 181.32 1hk3 h GLU 230 N 0.99 0.46 -0.91 0.00 4.57 -1.31 -1.28 114.58 117.10 1hk3 h GLU 230 Ca 0.18 -0.06 0.02 0.00 -1.18 0.00 0.00 59.36 58.31 1hk3 h GLU 230 Cb 0.54 -0.09 -0.05 0.00 -0.16 0.00 0.00 28.75 29.00 1hk3 h GLU 230 CO 0.03 0.41 0.60 0.28 -1.18 0.00 0.00 179.01 179.15 1hk3 h VAL 231 N 0.40 1.21 -0.50 0.32 2.07 -1.24 -1.67 116.25 116.84 1hk3 h VAL 231 Ca 0.11 -0.41 -0.13 0.00 0.82 0.00 0.00 66.70 67.09 1hk3 h VAL 231 Cb 0.09 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 29.74 1hk3 h VAL 231 CO -0.02 0.22 -0.19 0.28 0.02 0.00 0.00 177.57 177.88 1hk3 h SER 232 N 1.21 1.03 -0.63 0.57 0.02 -0.94 0.15 113.55 114.96 1hk3 h SER 232 Ca 0.34 -0.39 -0.01 0.00 -0.84 0.00 0.00 61.79 60.89 1hk3 h SER 232 Cb -0.10 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.13 1hk3 h SER 232 CO -0.08 1.19 0.35 0.50 -1.14 0.00 0.00 176.83 177.64 1hk3 h LYS 233 N 0.87 0.90 0.04 3.45 3.11 -0.43 -0.54 116.57 123.98 1hk3 h LYS 233 Ca 0.12 -0.10 -0.28 0.00 -2.81 0.00 0.00 60.65 57.58 1hk3 h LYS 233 Cb 0.77 -0.18 0.02 0.00 -1.00 0.00 0.00 32.23 31.85 1hk3 h LYS 233 CO 0.06 0.67 -1.10 -0.07 -2.81 0.00 0.00 179.45 176.20 1hk3 h LEU 234 N 0.91 0.89 -1.87 5.20 3.38 -1.09 -2.92 115.31 119.80 1hk3 h LEU 234 Ca 0.23 -0.77 -0.02 0.00 0.09 0.00 0.00 57.88 57.41 1hk3 h LEU 234 Cb 0.03 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.50 1hk3 h LEU 234 CO -0.04 1.56 -0.10 0.58 0.09 0.00 0.00 178.44 180.53 1hk3 h VAL 235 N 0.33 0.95 -0.06 1.22 2.07 -0.59 0.24 116.25 120.41 1hk3 h VAL 235 Ca -0.15 -0.37 -0.14 0.00 0.82 0.00 0.00 66.70 66.86 1hk3 h VAL 235 Cb 1.77 1.21 0.01 0.00 -1.52 0.00 0.00 31.29 32.75 1hk3 h VAL 235 CO 0.21 0.10 -0.49 0.74 0.02 0.00 0.00 177.57 178.15 1hk3 h THR 236 N 0.00 1.40 -0.27 2.57 2.02 -1.10 -0.58 112.91 116.94 1hk3 h THR 236 Ca -0.00 -1.89 -0.08 0.00 0.77 0.00 0.00 66.41 65.20 1hk3 h THR 236 Cb 0.20 2.36 -0.01 0.00 -1.74 0.00 0.00 68.15 68.97 1hk3 h THR 236 CO 0.01 0.56 -0.16 0.44 0.37 0.00 0.00 175.52 176.74 1hk3 h ASP 237 N -0.02 0.61 -0.71 4.18 3.32 -1.25 -2.18 116.42 120.37 1hk3 h ASP 237 Ca -0.04 -0.42 0.08 0.00 0.02 0.00 0.00 57.03 56.66 1hk3 h ASP 237 Cb 1.16 -0.17 -0.06 0.00 0.22 0.00 0.00 39.33 40.48 1hk3 h ASP 237 CO 0.10 0.90 0.38 0.25 -1.72 0.00 0.00 179.24 179.15 1hk3 h LEU 238 N 0.32 0.54 -1.19 1.55 5.85 -0.58 0.20 115.31 122.01 1hk3 h LEU 238 Ca 0.06 0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.75 1hk3 h LEU 238 Cb 0.68 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.64 1hk3 h LEU 238 CO 0.05 0.33 -0.18 0.74 -0.34 0.00 0.00 178.44 179.03 1hk3 h THR 239 N 0.68 1.22 -0.14 1.05 2.02 -0.94 -1.81 112.91 114.99 1hk3 h THR 239 Ca 0.33 -1.02 -0.13 0.00 0.77 0.00 0.00 66.41 66.36 1hk3 h THR 239 Cb 0.28 1.27 0.00 0.00 -1.74 0.00 0.00 68.15 67.97 1hk3 h THR 239 CO -0.22 0.32 -0.43 0.50 0.37 0.00 0.00 175.52 176.06 1hk3 h LYS 240 N 0.31 0.55 0.48 6.66 3.64 -0.51 -2.20 116.57 125.50 1hk3 h LYS 240 Ca 0.06 -0.39 -0.02 0.00 -1.27 0.00 0.00 60.65 59.03 1hk3 h LYS 240 Cb 0.51 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.39 1hk3 h LYS 240 CO 0.03 1.01 -0.30 0.28 -2.27 0.00 0.00 179.45 178.21 1hk3 h VAL 241 N 0.18 0.38 -0.04 2.00 2.07 -0.40 -2.46 116.25 117.98 1hk3 h VAL 241 Ca -0.01 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.46 1hk3 h VAL 241 Cb 1.05 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 1hk3 h VAL 241 CO 0.09 0.00 -0.18 0.45 0.02 0.00 0.00 177.57 177.95 1hk3 h HIS 242 N -0.74 0.06 -0.34 1.57 3.86 -1.42 -1.13 115.15 117.01 1hk3 h HIS 242 Ca -0.05 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.14 1hk3 h HIS 242 Cb 0.61 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 29.05 1hk3 h HIS 242 CO -0.10 0.24 0.17 1.15 0.86 0.00 0.00 177.93 180.25 1hk3 h THR 243 N 0.06 1.16 0.71 2.45 2.02 -1.22 0.43 112.91 118.51 1hk3 h THR 243 Ca 0.01 -0.43 -0.03 0.00 0.77 0.00 0.00 66.41 66.72 1hk3 h THR 243 Cb 0.36 0.82 0.01 0.00 -1.74 0.00 0.00 68.15 67.60 1hk3 h THR 243 CO 0.02 0.16 -0.34 -0.33 0.37 0.00 0.00 175.52 175.40 1hk3 h GLU 244 N 0.41 -0.92 -0.83 6.66 5.08 -0.95 0.16 114.58 124.18 1hk3 h GLU 244 Ca 0.12 0.06 0.14 0.00 -1.00 0.00 0.00 59.36 58.68 1hk3 h GLU 244 Cb 0.10 0.21 -0.06 0.00 0.50 0.00 0.00 28.75 29.50 1hk3 h GLU 244 CO -0.02 -0.59 0.54 0.00 -1.00 0.00 0.00 179.01 177.95 1hk3 h HIS 247 N 0.06 0.00 0.00 0.00 6.17 0.60 -3.48 115.15 118.50 1hk3 h HIS 247 Ca -0.04 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.04 1hk3 h HIS 247 Cb 1.59 0.00 0.00 0.00 2.52 0.00 0.00 27.41 31.52 1hk3 h HIS 247 CO 0.02 0.00 0.00 0.41 0.71 0.00 0.00 177.93 179.07 1hk3 n GLY 248 N 1.07 1.10 2.67 5.26 0.00 0.10 -4.92 105.19 110.46 1hk3 n GLY 248 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1hk3 n GLY 248 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1hk3 n ASP 249 N 0.00 5.39 0.15 1.61 8.00 -0.44 -4.76 116.55 126.51 1hk3 n ASP 249 Ca 0.00 -2.90 0.03 0.00 0.71 0.00 0.00 54.79 52.64 1hk3 n ASP 249 Cb 0.00 -1.57 0.43 0.00 -0.02 0.00 0.00 41.12 39.96 1hk3 n ASP 249 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1hk3 h LEU 250 N 8.51 0.16 0.22 0.64 3.38 -1.88 -1.95 115.31 124.39 1hk3 h LEU 250 Ca 0.58 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.51 1hk3 h LEU 250 Cb 0.55 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1hk3 h LEU 250 CO 1.77 0.31 -0.11 -0.07 0.09 0.00 0.00 178.44 180.43 1hk3 h LEU 251 N 0.16 -0.25 -1.28 1.67 3.38 -1.89 -2.54 115.31 114.57 1hk3 h LEU 251 Ca 0.03 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 1hk3 h LEU 251 Cb 0.34 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1hk3 h LEU 251 CO 0.02 0.13 0.12 1.05 0.09 0.00 0.00 178.44 179.85 1hk3 h GLU 252 N -0.67 0.61 -0.28 1.13 9.09 -1.96 -2.11 114.58 120.39 1hk3 h GLU 252 Ca -0.03 -0.10 -0.00 0.00 0.05 0.00 0.00 59.36 59.28 1hk3 h GLU 252 Cb 0.47 -0.11 -0.01 0.00 -1.65 0.00 0.00 28.75 27.45 1hk3 h GLU 252 CO 0.05 0.55 0.18 0.00 0.05 0.00 0.00 179.01 179.83 1hk3 h ALA 254 N 1.07 0.97 0.46 0.00 0.00 -1.15 0.28 119.26 120.90 1hk3 h ALA 254 Ca 0.10 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1hk3 h ALA 254 Cb -0.00 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1hk3 h ALA 254 CO -0.02 0.64 -0.22 0.22 0.00 0.00 0.00 179.25 179.87 1hk3 h ASP 255 N 0.94 -0.53 -0.71 0.00 1.82 -1.03 -1.11 116.42 115.80 1hk3 h ASP 255 Ca 0.18 -0.02 0.05 0.00 -0.39 0.00 0.00 57.03 56.85 1hk3 h ASP 255 Cb 0.45 0.14 -0.05 0.00 0.68 0.00 0.00 39.33 40.54 1hk3 h ASP 255 CO 0.02 -0.31 0.42 0.44 -1.61 0.00 0.00 179.24 178.19 1hk3 h ASP 256 N -0.71 0.64 -0.78 2.28 3.32 -0.50 -0.86 116.42 119.81 1hk3 h ASP 256 Ca -0.06 0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.02 1hk3 h ASP 256 Cb 0.52 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.92 1hk3 h ASP 256 CO 0.10 0.42 0.51 -0.09 -1.72 0.00 0.00 179.24 178.47 1hk3 h ARG 257 N 0.77 1.01 -0.44 3.56 2.43 -0.30 -1.25 114.38 120.16 1hk3 h ARG 257 Ca 0.31 -0.06 -0.08 0.00 -0.81 0.00 0.00 59.98 59.34 1hk3 h ARG 257 Cb 0.16 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 1hk3 h ARG 257 CO -0.17 0.67 -0.05 0.00 -1.51 0.00 0.00 179.97 178.91 1hk3 h ALA 258 N 1.30 0.60 -0.77 2.80 0.00 -0.60 -1.01 119.26 121.58 1hk3 h ALA 258 Ca 0.29 -0.30 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1hk3 h ALA 258 Cb -0.09 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.49 1hk3 h ALA 258 CO -0.07 0.44 0.49 -0.44 0.00 0.00 0.00 179.25 179.67 1hk3 h ASP 259 N 0.65 0.82 -0.52 0.00 3.32 -0.79 -1.09 116.42 118.81 1hk3 h ASP 259 Ca 0.12 -0.01 -0.09 0.00 0.02 0.00 0.00 57.03 57.07 1hk3 h ASP 259 Cb 0.57 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.92 1hk3 h ASP 259 CO 0.03 0.57 -0.02 0.25 -1.72 0.00 0.00 179.24 178.36 1hk3 h LEU 260 N 0.97 0.92 -1.31 1.55 5.85 -1.07 0.11 115.31 122.33 1hk3 h LEU 260 Ca 0.30 -0.31 0.02 0.00 0.84 0.00 0.00 57.88 58.73 1hk3 h LEU 260 Cb -0.02 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.73 1hk3 h LEU 260 CO -0.10 1.01 0.48 0.00 -0.34 0.00 0.00 178.44 179.49 1hk3 h ALA 261 N 0.94 1.54 0.25 1.25 0.00 -0.68 0.18 119.26 122.73 1hk3 h ALA 261 Ca 0.15 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1hk3 h ALA 261 Cb 0.55 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1hk3 h ALA 261 CO 0.03 0.40 -0.12 -0.22 0.00 0.00 0.00 179.25 179.34 1hk3 h LYS 262 N 0.92 -0.32 -0.37 0.00 3.64 -0.75 -2.44 116.57 117.24 1hk3 h LYS 262 Ca 0.28 0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.76 1hk3 h LYS 262 Cb -0.01 0.07 -0.08 0.00 -0.41 0.00 0.00 32.23 31.80 1hk3 h LYS 262 CO -0.07 0.00 -0.21 -0.92 -2.27 0.00 0.00 179.45 175.98 1hk3 h TYR 263 N -0.68 -0.52 -0.65 1.91 3.20 -0.17 -1.13 116.97 118.93 1hk3 h TYR 263 Ca -0.03 0.04 0.11 0.00 3.14 0.00 0.00 58.73 61.99 1hk3 h TYR 263 Cb 0.47 0.29 -0.08 0.00 1.54 0.00 0.00 36.73 38.95 1hk3 h TYR 263 CO 0.03 -0.28 0.24 0.82 -1.64 0.00 0.00 178.16 177.32 1hk3 h ILE 264 N -0.15 0.73 -0.05 1.81 5.03 -0.68 -1.75 117.51 122.45 1hk3 h ILE 264 Ca 0.18 -0.14 -0.09 0.00 -0.12 0.00 0.00 64.86 64.70 1hk3 h ILE 264 Cb 0.43 0.28 -0.01 0.00 -3.03 0.00 0.00 36.82 34.49 1hk3 h ILE 264 CO -0.46 0.07 -0.37 0.00 -0.68 0.00 0.00 178.15 176.71 1hk3 h GLU 266 N 0.09 0.61 -0.53 0.00 5.08 -0.43 -3.12 114.58 116.29 1hk3 h GLU 266 Ca 0.01 -0.39 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 1hk3 h GLU 266 Cb 0.71 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.00 1hk3 h GLU 266 CO 0.05 1.00 0.00 0.09 -1.00 0.00 0.00 179.01 179.15 1hk3 n ASN 267 N -4.26 2.89 -0.17 1.42 4.13 -0.78 -4.60 115.26 113.89 1hk3 n ASN 267 Ca -0.06 -2.05 0.14 0.00 1.68 0.00 0.00 54.58 54.29 1hk3 n ASN 267 Cb 0.52 -0.37 0.26 0.00 -1.54 0.00 0.00 39.78 38.65 1hk3 n ASN 267 CO 0.00 0.00 0.00 1.67 0.28 0.00 0.00 177.26 179.21 1hk3 n GLN 268 N 0.96 -0.03 0.14 3.52 7.27 -0.05 0.66 117.38 129.85 1hk3 n GLN 268 Ca 0.17 0.71 0.12 0.00 0.07 0.00 0.00 57.00 58.08 1hk3 n GLN 268 Cb 0.47 -1.24 0.50 0.00 2.41 0.00 0.00 30.24 32.39 1hk3 n GLN 268 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 1hk3 n ASP 269 N -4.27 0.71 -0.67 1.69 8.00 -1.26 -2.42 116.55 118.33 1hk3 n ASP 269 Ca 0.17 0.68 0.08 0.00 0.71 0.00 0.00 54.79 56.43 1hk3 n ASP 269 Cb 0.58 -0.83 0.22 0.00 -0.02 0.00 0.00 41.12 41.07 1hk3 n ASP 269 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1hk3 n SER 270 N -2.28 3.42 0.00 -2.24 3.41 0.21 -4.79 113.62 111.35 1hk3 n SER 270 Ca 0.02 -2.91 0.00 0.00 -0.26 0.00 0.00 58.87 55.72 1hk3 n SER 270 Cb 0.23 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 63.71 1hk3 n SER 270 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1hk3 n ILE 271 N -0.61 0.00 -3.71 -1.33 -0.00 -1.05 -4.32 119.36 108.34 1hk3 n ILE 271 Ca 0.19 0.00 -0.14 0.00 -0.00 0.00 0.00 62.75 62.79 1hk3 n ILE 271 Cb 0.78 -0.64 -0.08 0.00 -0.00 0.00 0.00 39.64 39.70 1hk3 n ILE 271 CO 0.00 0.00 0.00 -0.55 -0.00 0.00 0.00 176.55 176.00 1hk3 s SER 272 N -4.57 -0.30 0.40 4.38 0.15 -1.02 -3.89 113.70 108.85 1hk3 s SER 272 Ca 0.00 0.27 0.23 0.00 0.70 0.00 0.00 55.95 57.15 1hk3 s SER 272 Cb 0.00 0.41 0.33 0.00 -1.71 0.00 0.00 66.02 65.05 1hk3 s SER 272 CO 0.00 -0.45 1.56 0.28 1.20 0.00 0.00 173.24 175.83 1hk3 h SER 273 N 3.86 0.00 1.00 5.45 0.02 -1.94 -3.24 113.55 118.70 1hk3 h SER 273 Ca -0.29 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 1hk3 h SER 273 Cb 1.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.71 1hk3 h SER 273 CO 0.38 0.00 0.00 0.29 -1.14 0.00 0.00 176.83 176.36 1hk3 n LYS 274 N -3.00 0.06 0.00 3.45 4.76 -1.26 -3.60 118.16 118.57 1hk3 n LYS 274 Ca 0.04 0.10 0.13 0.00 -2.87 0.00 0.00 58.31 55.71 1hk3 n LYS 274 Cb 0.53 -1.58 0.74 0.00 -1.84 0.00 0.00 35.03 32.87 1hk3 n LYS 274 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1hk3 n LEU 275 N -1.69 0.00 0.00 -0.35 4.77 -1.22 -4.36 117.00 114.15 1hk3 n LEU 275 Ca 0.06 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 1hk3 n LEU 275 Cb 0.33 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 1hk3 n LEU 275 CO 0.25 -0.02 0.39 0.29 -1.33 0.00 0.00 177.39 176.98 1hk3 n LYS 276 N -1.09 0.00 -0.34 3.23 4.76 -1.24 -1.30 118.16 122.17 1hk3 n LYS 276 Ca 0.17 0.33 0.18 0.00 -2.87 0.00 0.00 58.31 56.12 1hk3 n LYS 276 Cb 0.13 -1.28 0.40 0.00 -1.84 0.00 0.00 35.03 32.44 1hk3 n LYS 276 CO 0.00 0.00 0.00 1.05 -1.37 0.00 0.00 177.40 177.08 1hk3 h GLU 277 N 0.00 0.56 -0.54 1.97 9.09 -1.90 -0.78 114.58 122.98 1hk3 h GLU 277 Ca 0.00 -0.03 0.02 0.00 0.05 0.00 0.00 59.36 59.40 1hk3 h GLU 277 Cb 0.00 -0.13 -0.03 0.00 -1.65 0.00 0.00 28.75 26.94 1hk3 h GLU 277 CO 0.00 0.37 0.33 0.00 0.05 0.00 0.00 179.01 179.76 1hk3 n GLU 280 N -1.03 3.11 -4.35 0.00 -0.58 -1.13 -5.01 120.64 111.64 1hk3 n GLU 280 Ca 0.15 -2.52 -0.25 0.00 -0.42 0.00 0.00 57.16 54.12 1hk3 n GLU 280 Cb 0.08 -1.60 -0.09 0.00 -0.57 0.00 0.00 31.44 29.26 1hk3 n GLU 280 CO 0.00 0.00 0.00 -1.59 -0.48 0.00 0.00 177.13 175.06 1hk3 s LYS 281 N -1.71 2.06 0.41 3.49 -2.85 -1.17 -5.10 119.74 114.87 1hk3 s LYS 281 Ca 0.37 -1.75 -0.23 0.00 -1.00 0.00 0.00 55.97 53.35 1hk3 s LYS 281 Cb 0.24 -1.92 -0.12 0.00 -2.06 0.00 0.00 37.83 33.98 1hk3 s LYS 281 CO 0.17 0.15 0.78 -2.30 0.10 0.00 0.00 175.35 174.25 1hk3 n PRO 282 N -0.94 0.94 0.00 1.78 -0.02 -1.26 -4.37 135.00 131.12 1hk3 n PRO 282 Ca -0.04 0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 1hk3 n PRO 282 Cb 0.62 -1.76 0.00 0.00 -0.02 0.00 0.00 33.50 32.34 1hk3 n PRO 282 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1hk3 n LEU 283 N 0.88 0.00 -0.26 2.45 7.94 -1.26 -0.44 117.00 126.31 1hk3 n LEU 283 Ca 0.11 0.49 0.06 0.00 -1.11 0.00 0.00 56.01 55.55 1hk3 n LEU 283 Cb 0.39 -0.23 0.17 0.00 0.53 0.00 0.00 43.42 44.28 1hk3 n LEU 283 CO 0.56 -0.23 0.84 -0.07 -1.11 0.00 0.00 177.39 177.38 1hk3 h LEU 284 N 0.00 -0.30 -1.30 -1.96 3.38 -1.98 -1.14 115.31 112.01 1hk3 h LEU 284 Ca 0.00 0.19 -0.07 0.00 0.09 0.00 0.00 57.88 58.09 1hk3 h LEU 284 Cb 0.00 0.33 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1hk3 h LEU 284 CO 0.00 -0.17 -0.28 -0.33 0.09 0.00 0.00 178.44 177.75 1hk3 h GLU 285 N 0.12 0.11 0.00 1.13 3.07 -1.07 -2.81 114.58 115.13 1hk3 h GLU 285 Ca 0.42 -0.04 -0.06 0.00 -0.50 0.00 0.00 59.36 59.19 1hk3 h GLU 285 Cb 0.76 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.65 1hk3 h GLU 285 CO -0.66 0.39 -0.52 1.57 -1.40 0.00 0.00 179.01 178.39 1hk3 h LYS 286 N 0.10 0.00 0.05 2.33 2.10 -0.24 -2.34 116.57 118.57 1hk3 h LYS 286 Ca 0.01 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.66 1hk3 h LYS 286 Cb 0.56 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.89 1hk3 h LYS 286 CO 0.04 0.23 -0.03 0.77 -2.00 0.00 0.00 179.45 178.47 1hk3 h SER 287 N 0.00 -0.06 -0.68 7.07 0.02 -1.27 0.63 113.55 119.26 1hk3 h SER 287 Ca -0.02 -0.42 -0.00 0.00 -0.84 0.00 0.00 61.79 60.51 1hk3 h SER 287 Cb 1.22 0.02 -0.03 0.00 0.14 0.00 0.00 62.40 63.75 1hk3 h SER 287 CO 0.03 0.40 0.43 -0.74 -1.14 0.00 0.00 176.83 175.81 1hk3 h HIS 288 N -0.53 0.89 -0.10 3.45 -0.00 -1.58 -0.83 115.15 116.44 1hk3 h HIS 288 Ca -0.01 0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.36 1hk3 h HIS 288 Cb 0.47 -0.30 -0.00 0.00 -0.00 0.00 0.00 27.41 27.58 1hk3 h HIS 288 CO 0.08 0.58 0.03 0.00 -0.00 0.00 0.00 177.93 178.62 1hk3 h ILE 290 N -0.02 1.20 0.00 0.00 5.03 -0.37 -2.01 117.51 121.34 1hk3 h ILE 290 Ca 0.03 -0.69 -0.04 0.00 -0.12 0.00 0.00 64.86 64.05 1hk3 h ILE 290 Cb 0.22 0.65 -0.01 0.00 -3.03 0.00 0.00 36.82 34.66 1hk3 h ILE 290 CO -0.00 0.26 -0.18 0.00 -0.68 0.00 0.00 178.15 177.55 1hk3 h ALA 291 N 1.44 1.21 -0.22 1.87 0.00 -0.88 -3.01 119.26 119.67 1hk3 h ALA 291 Ca 0.17 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1hk3 h ALA 291 Cb 0.22 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1hk3 h ALA 291 CO -0.01 0.23 0.00 0.39 0.00 0.00 0.00 179.25 179.86 1hk3 n GLU 292 N -3.61 1.87 -1.32 0.00 -0.58 -0.86 -5.05 120.64 111.09 1hk3 n GLU 292 Ca -0.01 -1.78 -0.37 0.00 -0.42 0.00 0.00 57.16 54.58 1hk3 n GLU 292 Cb 0.32 -1.32 0.05 0.00 -0.57 0.00 0.00 31.44 29.91 1hk3 n GLU 292 CO 0.00 0.00 0.00 1.33 -0.48 0.00 0.00 177.13 177.98 1hk3 n VAL 293 N 0.85 1.69 -3.25 2.62 0.24 -0.80 -5.00 118.33 114.68 1hk3 n VAL 293 Ca 0.12 -0.45 -0.25 0.00 -2.04 0.00 0.00 64.34 61.71 1hk3 n VAL 293 Cb 0.43 -0.60 -0.01 0.00 -1.47 0.00 0.00 33.84 32.18 1hk3 n VAL 293 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 1hk3 s GLU 294 N -2.29 3.52 0.37 7.34 1.03 -1.26 -5.03 118.70 122.38 1hk3 s GLU 294 Ca 0.65 -0.18 -0.28 0.00 0.03 0.00 0.00 54.97 55.19 1hk3 s GLU 294 Cb -0.39 -2.61 -0.11 0.00 -0.80 0.00 0.00 34.13 30.21 1hk3 s GLU 294 CO 0.59 0.10 1.43 0.09 -1.33 0.00 0.00 175.26 176.14 1hk3 n ASN 295 N -1.69 3.48 -4.79 0.83 3.02 -1.26 -4.91 115.26 109.94 1hk3 n ASN 295 Ca -0.03 1.22 -0.29 0.00 -0.03 0.00 0.00 54.58 55.45 1hk3 n ASN 295 Cb 0.55 -1.58 0.13 0.00 -0.61 0.00 0.00 39.78 38.27 1hk3 n ASN 295 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1hk3 s ASP 296 N -0.18 3.72 0.19 6.41 -1.08 -0.68 -4.97 116.67 120.08 1hk3 s ASP 296 Ca 0.54 1.04 -0.30 0.00 -0.52 0.00 0.00 52.55 53.30 1hk3 s ASP 296 Cb -0.50 -1.65 -0.08 0.00 -1.46 0.00 0.00 42.92 39.23 1hk3 s ASP 296 CO 0.63 -2.43 1.25 -1.83 0.52 0.00 0.00 175.17 173.32 1hk3 s GLU 297 N -5.25 4.44 0.32 4.34 -1.05 -1.26 -4.81 118.70 115.43 1hk3 s GLU 297 Ca 0.63 1.96 -0.27 0.00 -0.15 0.00 0.00 54.97 57.14 1hk3 s GLU 297 Cb -0.15 -3.22 -0.09 0.00 -0.44 0.00 0.00 34.13 30.23 1hk3 s GLU 297 CO 0.53 -0.17 1.08 1.41 0.95 0.00 0.00 175.26 179.06 1hk3 s MET 298 N -0.15 4.47 0.89 -4.83 1.75 -1.26 -4.66 119.30 115.51 1hk3 s MET 298 Ca 0.55 1.69 -0.10 0.00 -1.25 0.00 0.00 55.69 56.58 1hk3 s MET 298 Cb -0.34 -2.96 0.13 0.00 2.84 0.00 0.00 34.83 34.50 1hk3 s MET 298 CO 0.37 0.09 1.14 -2.14 -0.65 0.00 0.00 175.02 173.83 1hk3 s PRO 299 N -1.81 1.21 0.00 4.11 0.02 -1.26 -5.03 135.00 132.23 1hk3 s PRO 299 Ca 0.49 1.47 0.00 0.00 0.02 0.00 0.00 61.00 62.98 1hk3 s PRO 299 Cb -0.28 -1.76 0.00 0.00 0.02 0.00 0.00 34.50 32.48 1hk3 s PRO 299 CO 0.36 -2.47 0.00 0.00 -0.33 0.00 0.00 177.00 174.56 1hk3 n ALA 300 N -4.12 0.00 -1.54 -1.55 0.00 -1.26 -4.74 120.51 107.30 1hk3 n ALA 300 Ca 0.11 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.35 1hk3 n ALA 300 Cb 0.52 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.88 1hk3 n ALA 300 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1hk3 n ASP 301 N 0.00 1.24 -4.57 0.00 8.00 -1.26 -4.93 116.55 115.04 1hk3 n ASP 301 Ca 0.00 -1.06 -0.34 0.00 0.71 0.00 0.00 54.79 54.10 1hk3 n ASP 301 Cb 0.00 -1.41 -0.11 0.00 -0.02 0.00 0.00 41.12 39.58 1hk3 n ASP 301 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1hk3 s LEU 302 N 11.49 3.34 0.83 0.64 1.43 -1.26 -5.09 118.68 130.06 1hk3 s LEU 302 Ca 1.03 -0.02 -0.13 0.00 -1.03 0.00 0.00 54.13 53.97 1hk3 s LEU 302 Cb -0.33 -1.78 0.06 0.00 0.03 0.00 0.00 46.19 44.17 1hk3 s LEU 302 CO 0.22 0.27 0.91 -0.81 0.23 0.00 0.00 176.35 177.17 1hk3 n PRO 303 N 2.87 0.05 -2.27 1.29 -0.04 -1.26 -4.89 135.00 130.75 1hk3 n PRO 303 Ca -0.18 0.08 -0.42 0.00 -0.04 0.00 0.00 63.50 62.95 1hk3 n PRO 303 Cb 0.53 -2.20 -0.03 0.00 -0.04 0.00 0.00 33.50 31.76 1hk3 n PRO 303 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1hk3 s SER 304 N -2.02 6.91 0.40 3.54 1.04 -1.26 -4.89 113.70 117.42 1hk3 s SER 304 Ca 0.68 2.13 0.19 0.00 0.48 0.00 0.00 55.95 59.43 1hk3 s SER 304 Cb -0.28 -2.57 1.13 0.00 0.10 0.00 0.00 66.02 64.40 1hk3 s SER 304 CO 0.56 -0.64 1.76 -0.07 0.98 0.00 0.00 173.24 175.83 1hk3 h LEU 305 N 7.60 0.43 -0.38 2.42 3.38 -1.94 -1.48 115.31 125.34 1hk3 h LEU 305 Ca -0.39 0.08 0.07 0.00 0.09 0.00 0.00 57.88 57.73 1hk3 h LEU 305 Cb 1.19 0.02 -0.09 0.00 0.09 0.00 0.00 40.66 41.87 1hk3 h LEU 305 CO 0.87 0.07 -0.42 0.00 0.09 0.00 0.00 178.44 179.05 1hk3 h ALA 306 N 1.62 -0.44 -0.81 1.53 0.00 -1.94 -1.35 119.26 117.86 1hk3 h ALA 306 Ca 0.61 0.06 0.14 0.00 0.00 0.00 0.00 54.91 55.71 1hk3 h ALA 306 Cb 1.57 0.88 -0.14 0.00 0.00 0.00 0.00 17.79 20.10 1hk3 h ALA 306 CO -0.30 -0.87 -0.26 0.00 0.00 0.00 0.00 179.25 177.82 1hk3 n ALA 307 N -3.05 0.04 0.49 0.00 0.00 -0.56 -0.19 120.51 117.24 1hk3 n ALA 307 Ca -0.01 0.85 0.11 0.00 0.00 0.00 0.00 53.44 54.39 1hk3 n ALA 307 Cb 0.35 -0.44 0.03 0.00 0.00 0.00 0.00 19.45 19.39 1hk3 n ALA 307 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1hk3 n ASP 308 N -5.26 0.62 -0.14 0.00 10.43 -0.83 -1.81 116.55 119.56 1hk3 n ASP 308 Ca 0.11 -0.10 0.02 0.00 2.57 0.00 0.00 54.79 57.38 1hk3 n ASP 308 Cb 0.36 0.74 0.02 0.00 1.84 0.00 0.00 41.12 44.08 1hk3 n ASP 308 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 1hk3 n PHE 309 N -2.07 0.00 0.06 1.24 3.72 -0.57 -4.68 117.46 115.17 1hk3 n PHE 309 Ca 0.02 -0.01 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 1hk3 n PHE 309 Cb 0.46 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.00 1hk3 n PHE 309 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 1hk3 n VAL 310 N 0.19 0.04 0.00 -4.37 0.31 0.73 -4.93 118.33 110.30 1hk3 n VAL 310 Ca 0.02 0.01 -0.09 0.00 -0.01 0.00 0.00 64.34 64.27 1hk3 n VAL 310 Cb 0.09 -0.57 0.05 0.00 -0.91 0.00 0.00 33.84 32.50 1hk3 n VAL 310 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1hk3 h GLU 311 N 0.00 0.56 -6.75 5.55 5.08 -1.46 -3.46 114.58 114.10 1hk3 h GLU 311 Ca 0.00 -0.35 -0.57 0.00 -1.00 0.00 0.00 59.36 57.44 1hk3 h GLU 311 Cb 0.04 0.04 0.17 0.00 0.50 0.00 0.00 28.75 29.49 1hk3 h GLU 311 CO 0.00 0.96 -0.01 0.45 -1.00 0.00 0.00 179.01 179.41 1hk3 n SER 312 N -3.96 0.30 -0.79 1.42 2.88 -0.75 -4.90 113.62 107.81 1hk3 n SER 312 Ca -0.03 0.78 0.12 0.00 -1.33 0.00 0.00 58.87 58.42 1hk3 n SER 312 Cb 0.60 -1.33 0.29 0.00 -0.75 0.00 0.00 64.21 63.02 1hk3 n SER 312 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1hk3 n LYS 313 N -0.79 2.08 -0.49 -1.46 0.00 -1.26 -4.06 118.16 112.16 1hk3 n LYS 313 Ca 0.13 -1.58 0.08 0.00 -0.00 0.00 0.00 58.31 56.94 1hk3 n LYS 313 Cb 0.47 -1.47 0.28 0.00 -0.00 0.00 0.00 35.03 34.31 1hk3 n LYS 313 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1hk3 n ASP 314 N 0.87 4.11 0.40 -5.58 9.92 -1.26 -4.70 116.55 120.31 1hk3 n ASP 314 Ca 0.17 -2.87 -0.16 0.00 -0.53 0.00 0.00 54.79 51.40 1hk3 n ASP 314 Cb 0.49 -0.53 -0.08 0.00 -0.64 0.00 0.00 41.12 40.35 1hk3 n ASP 314 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 1hk3 h VAL 315 N 2.27 0.00 -0.72 2.53 2.07 -1.89 -1.36 116.25 119.14 1hk3 h VAL 315 Ca 0.00 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.65 1hk3 h VAL 315 Cb 1.45 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 31.17 1hk3 h VAL 315 CO 0.24 0.00 0.48 0.00 0.02 0.00 0.00 177.57 178.31 1hk3 h LYS 317 N 0.46 0.96 -0.17 0.00 3.64 -1.84 -1.71 116.57 117.90 1hk3 h LYS 317 Ca 0.35 -0.36 -0.14 0.00 -1.27 0.00 0.00 60.65 59.23 1hk3 h LYS 317 Cb 0.72 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.47 1hk3 h LYS 317 CO -0.11 1.03 -0.47 -0.91 -2.27 0.00 0.00 179.45 176.72 1hk3 h ASN 318 N 0.81 0.48 -0.49 4.20 2.35 0.05 0.56 115.58 123.55 1hk3 h ASN 318 Ca 0.13 -0.23 -0.05 0.00 -0.55 0.00 0.00 56.30 55.60 1hk3 h ASN 318 Cb 0.68 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.89 1hk3 h ASN 318 CO 0.05 0.88 0.12 0.22 -1.65 0.00 0.00 177.43 177.04 1hk3 h TYR 319 N 0.35 0.82 0.17 1.19 3.20 -0.93 -1.99 116.97 119.79 1hk3 h TYR 319 Ca 0.02 -0.10 -0.01 0.00 3.14 0.00 0.00 58.73 61.78 1hk3 h TYR 319 Cb 0.96 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 39.00 1hk3 h TYR 319 CO 0.03 0.74 -0.08 0.00 -1.64 0.00 0.00 178.16 177.21 1hk3 h ALA 320 N 0.99 -0.23 0.00 1.82 0.00 -1.14 0.57 119.26 121.27 1hk3 h ALA 320 Ca 0.15 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1hk3 h ALA 320 Cb 0.33 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1hk3 h ALA 320 CO 0.00 -0.35 -0.04 0.93 0.00 0.00 0.00 179.25 179.80 1hk3 h GLU 321 N -0.80 0.00 0.00 0.00 4.39 -0.94 -3.37 114.58 113.86 1hk3 h GLU 321 Ca -0.02 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.51 1hk3 h GLU 321 Cb 0.52 0.00 -0.13 0.00 -0.10 0.00 0.00 28.75 29.04 1hk3 h GLU 321 CO 0.04 0.04 -0.22 0.00 -1.16 0.00 0.00 179.01 177.71 1hk3 n ALA 322 N -2.24 -2.02 -0.07 3.43 0.00 -0.75 -5.05 120.51 113.82 1hk3 n ALA 322 Ca -0.02 -0.95 -0.12 0.00 0.00 0.00 0.00 53.44 52.34 1hk3 n ALA 322 Cb 0.14 -2.11 -0.07 0.00 0.00 0.00 0.00 19.45 17.41 1hk3 n ALA 322 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1hk3 h LYS 323 N 2.85 -0.43 -1.04 0.00 2.10 -0.96 -0.68 116.57 118.40 1hk3 h LYS 323 Ca -0.20 0.03 0.27 0.00 -2.00 0.00 0.00 60.65 58.75 1hk3 h LYS 323 Cb 1.15 0.10 -0.10 0.00 -0.90 0.00 0.00 32.23 32.47 1hk3 h LYS 323 CO 0.07 -0.29 0.65 -0.44 -2.00 0.00 0.00 179.45 177.45 1hk3 h ASP 324 N -0.45 0.50 0.00 7.07 3.45 -1.93 -0.28 116.42 124.79 1hk3 h ASP 324 Ca 0.09 0.10 -0.04 0.00 0.43 0.00 0.00 57.03 57.61 1hk3 h ASP 324 Cb 0.62 0.02 -0.01 0.00 -0.56 0.00 0.00 39.33 39.41 1hk3 h ASP 324 CO -0.50 0.08 -0.26 0.58 -1.57 0.00 0.00 179.24 177.58 1hk3 h VAL 325 N 0.44 1.13 -0.68 -1.35 2.07 -1.79 -2.75 116.25 113.31 1hk3 h VAL 325 Ca 0.62 -1.93 0.15 0.00 0.82 0.00 0.00 66.70 66.35 1hk3 h VAL 325 Cb 1.46 2.21 -0.12 0.00 -1.52 0.00 0.00 31.29 33.33 1hk3 h VAL 325 CO -0.35 0.38 0.02 0.15 0.02 0.00 0.00 177.57 177.79 1hk3 h PHE 326 N -1.00 -0.02 0.22 1.57 3.04 -0.77 0.21 116.94 120.19 1hk3 h PHE 326 Ca -0.06 0.05 -0.01 0.00 3.98 0.00 0.00 57.97 61.93 1hk3 h PHE 326 Cb 0.80 0.12 0.00 0.00 2.56 0.00 0.00 35.95 39.43 1hk3 h PHE 326 CO 0.15 -0.19 -0.11 -0.07 -2.02 0.00 0.00 178.31 176.08 1hk3 h LEU 327 N 0.12 -0.25 -0.68 0.59 3.38 -1.19 -1.01 115.31 116.28 1hk3 h LEU 327 Ca 0.37 -0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.43 1hk3 h LEU 327 Cb 0.62 0.07 -0.12 0.00 0.09 0.00 0.00 40.66 41.31 1hk3 h LEU 327 CO -0.58 -0.16 -0.42 1.23 0.09 0.00 0.00 178.44 178.60 1hk3 h GLY 328 N -0.32 -0.34 -0.24 0.83 0.00 -0.65 0.44 103.07 102.78 1hk3 h GLY 328 Ca -0.03 0.55 0.14 0.00 0.00 0.00 0.00 47.33 47.99 1hk3 h GLY 328 CO 0.05 -0.16 -0.10 -0.33 0.00 0.00 0.00 176.54 176.00 1hk3 h MET 329 N -0.16 0.04 -0.28 4.80 2.86 -0.31 -0.78 114.93 121.10 1hk3 h MET 329 Ca 0.21 -0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.86 1hk3 h MET 329 Cb 0.56 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.19 1hk3 h MET 329 CO -0.75 0.03 0.16 0.35 1.06 0.00 0.00 176.91 177.75 1hk3 h PHE 330 N 0.04 0.29 0.04 -0.22 3.57 0.12 0.40 116.94 121.18 1hk3 h PHE 330 Ca 0.33 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.84 1hk3 h PHE 330 Cb 0.53 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.17 1hk3 h PHE 330 CO -0.47 0.17 -0.02 1.25 -2.23 0.00 0.00 178.31 177.02 1hk3 h LEU 331 N 0.33 -0.04 -0.62 0.59 5.85 -0.52 -1.28 115.31 119.62 1hk3 h LEU 331 Ca 0.11 -0.08 0.09 0.00 0.84 0.00 0.00 57.88 58.84 1hk3 h LEU 331 Cb 0.00 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 40.98 1hk3 h LEU 331 CO -0.06 0.05 0.26 0.22 -0.34 0.00 0.00 178.44 178.58 1hk3 h TYR 332 N -0.13 0.46 0.00 1.25 3.20 -0.97 0.28 116.97 121.06 1hk3 h TYR 332 Ca -0.00 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.80 1hk3 h TYR 332 Cb 0.12 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 1hk3 h TYR 332 CO -0.05 0.15 -0.44 0.93 -1.64 0.00 0.00 178.16 177.12 1hk3 h GLU 333 N 0.47 0.00 0.11 1.82 4.39 -0.72 -2.03 114.58 118.61 1hk3 h GLU 333 Ca 0.30 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.78 1hk3 h GLU 333 Cb 0.34 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.99 1hk3 h GLU 333 CO -0.27 0.44 -1.09 -0.92 -1.16 0.00 0.00 179.01 176.01 1hk3 h TYR 334 N 0.00 0.41 0.10 4.33 5.03 -0.63 -3.32 116.97 122.89 1hk3 h TYR 334 Ca -0.00 -0.30 -0.00 0.00 2.58 0.00 0.00 58.73 61.00 1hk3 h TYR 334 Cb 0.91 -0.02 -0.00 0.00 1.55 0.00 0.00 36.73 39.17 1hk3 h TYR 334 CO 0.00 1.42 -0.07 0.00 -1.32 0.00 0.00 178.16 178.19 1hk3 h ALA 335 N -0.03 -0.16 -0.05 1.82 0.00 -0.48 -2.64 119.26 117.72 1hk3 h ALA 335 Ca -0.23 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.67 1hk3 h ALA 335 Cb 1.63 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.50 1hk3 h ALA 335 CO 0.07 -0.59 0.05 0.07 0.00 0.00 0.00 179.25 178.84 1hk3 h ARG 336 N -0.17 0.00 -0.60 0.00 0.11 -1.37 -1.12 114.38 111.22 1hk3 h ARG 336 Ca -0.01 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.07 1hk3 h ARG 336 Cb 0.15 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.23 1hk3 h ARG 336 CO 0.01 0.00 0.00 2.89 0.10 0.00 0.00 179.97 182.97 1hk3 n ARG 337 N -3.96 3.46 -3.12 0.08 1.85 -1.03 -4.61 116.66 109.34 1hk3 n ARG 337 Ca -0.02 -2.78 -0.21 0.00 -1.00 0.00 0.00 57.85 53.84 1hk3 n ARG 337 Cb 0.14 -1.78 -0.05 0.00 -1.05 0.00 0.00 32.46 29.72 1hk3 n ARG 337 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 1hk3 n HIS 338 N 1.02 -0.89 0.29 2.89 8.25 -0.42 -4.91 115.22 121.45 1hk3 n HIS 338 Ca 0.24 -3.25 0.18 0.00 -0.26 0.00 0.00 57.72 54.64 1hk3 n HIS 338 Cb 0.81 -0.01 0.81 0.00 1.12 0.00 0.00 29.99 32.71 1hk3 n HIS 338 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 1hk3 h PRO 339 N 4.03 0.00 -0.09 -0.41 0.11 -1.82 -2.47 132.00 131.36 1hk3 h PRO 339 Ca 0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.15 1hk3 h PRO 339 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 1hk3 h PRO 339 CO 0.44 0.01 0.00 -0.40 -0.21 0.00 0.00 178.00 177.83 1hk3 n ASP 340 N -3.10 0.50 -4.59 -2.05 5.75 -1.26 -4.81 116.55 106.98 1hk3 n ASP 340 Ca -0.00 -1.90 -0.29 0.00 -0.01 0.00 0.00 54.79 52.59 1hk3 n ASP 340 Cb 0.25 -0.06 -0.10 0.00 -1.03 0.00 0.00 41.12 40.19 1hk3 n ASP 340 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 1hk3 s TYR 341 N -1.89 2.76 0.43 2.11 1.51 -0.93 -4.53 117.35 116.82 1hk3 s TYR 341 Ca 0.11 -0.15 -0.21 0.00 -1.01 0.00 0.00 57.07 55.81 1hk3 s TYR 341 Cb 0.06 -1.43 -0.10 0.00 -0.11 0.00 0.00 41.96 40.37 1hk3 s TYR 341 CO 0.08 0.44 0.98 -1.54 -1.11 0.00 0.00 175.55 174.41 1hk3 s SER 342 N -2.29 6.78 0.20 2.29 1.04 -1.26 -4.51 113.70 115.95 1hk3 s SER 342 Ca 0.22 1.80 -0.11 0.00 0.48 0.00 0.00 55.95 58.34 1hk3 s SER 342 Cb -0.11 -2.55 0.24 0.00 0.10 0.00 0.00 66.02 63.70 1hk3 s SER 342 CO 0.14 -0.47 1.71 0.58 0.98 0.00 0.00 173.24 176.18 1hk3 h VAL 343 N 1.89 0.67 -0.73 5.02 2.07 -1.92 -0.59 116.25 122.67 1hk3 h VAL 343 Ca -0.49 -0.08 0.02 0.00 0.82 0.00 0.00 66.70 66.97 1hk3 h VAL 343 Cb 1.20 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 31.34 1hk3 h VAL 343 CO 0.61 0.04 0.48 -0.37 0.02 0.00 0.00 177.57 178.35 1hk3 h VAL 344 N 0.23 1.16 -0.07 2.57 -1.51 -1.92 -1.74 116.25 114.97 1hk3 h VAL 344 Ca 0.28 -0.32 -0.00 0.00 -1.23 0.00 0.00 66.70 65.42 1hk3 h VAL 344 Cb 0.40 0.13 -0.00 0.00 -2.13 0.00 0.00 31.29 29.69 1hk3 h VAL 344 CO -0.37 0.17 0.03 0.25 -1.23 0.00 0.00 177.57 176.42 1hk3 h LEU 345 N 0.94 0.10 -1.47 4.19 5.85 -1.48 -1.75 115.31 121.69 1hk3 h LEU 345 Ca 0.28 -0.16 0.09 0.00 0.84 0.00 0.00 57.88 58.92 1hk3 h LEU 345 Cb -0.04 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 40.92 1hk3 h LEU 345 CO -0.07 0.24 0.46 -0.07 -0.34 0.00 0.00 178.44 178.65 1hk3 h LEU 346 N -0.04 0.54 -0.73 2.25 3.38 -0.82 0.01 115.31 119.90 1hk3 h LEU 346 Ca 0.02 0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.87 1hk3 h LEU 346 Cb 0.17 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1hk3 h LEU 346 CO -0.00 0.33 -0.57 -0.07 0.09 0.00 0.00 178.44 178.22 1hk3 h LEU 347 N 0.61 0.23 -0.50 1.67 3.38 -0.97 -1.57 115.31 118.16 1hk3 h LEU 347 Ca 0.31 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 58.11 1hk3 h LEU 347 Cb 0.42 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1hk3 h LEU 347 CO -0.10 0.75 0.12 0.03 0.09 0.00 0.00 178.44 179.32 1hk3 h ARG 348 N 0.15 0.81 -0.50 1.13 3.08 -0.13 0.47 114.38 119.39 1hk3 h ARG 348 Ca -0.00 -0.20 -0.05 0.00 0.07 0.00 0.00 59.98 59.80 1hk3 h ARG 348 Cb 1.05 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.97 1hk3 h ARG 348 CO 0.09 0.78 0.11 -0.07 -1.07 0.00 0.00 179.97 179.80 1hk3 h LEU 349 N 0.69 0.77 -0.99 3.04 3.38 -1.24 -0.87 115.31 120.10 1hk3 h LEU 349 Ca 0.16 -0.24 0.06 0.00 0.09 0.00 0.00 57.88 57.94 1hk3 h LEU 349 Cb 0.34 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 40.82 1hk3 h LEU 349 CO 0.00 0.82 0.64 0.00 0.09 0.00 0.00 178.44 179.99 1hk3 h ALA 350 N 0.98 1.37 -0.30 1.53 0.00 -0.89 0.16 119.26 122.11 1hk3 h ALA 350 Ca 0.15 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.90 1hk3 h ALA 350 Cb 0.36 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1hk3 h ALA 350 CO 0.00 0.44 -0.36 -0.22 0.00 0.00 0.00 179.25 179.12 1hk3 h LYS 351 N 1.17 0.78 -0.80 0.00 1.63 -0.55 -2.17 116.57 116.64 1hk3 h LYS 351 Ca 0.42 -0.44 0.02 0.00 -0.85 0.00 0.00 60.65 59.81 1hk3 h LYS 351 Cb 0.14 0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 31.76 1hk3 h LYS 351 CO -0.17 1.06 0.52 1.15 -3.45 0.00 0.00 179.45 178.56 1hk3 h THR 352 N 0.54 1.15 -0.28 1.00 2.02 -0.00 -1.34 112.91 115.99 1hk3 h THR 352 Ca 0.04 -0.35 -0.00 0.00 0.77 0.00 0.00 66.41 66.87 1hk3 h THR 352 Cb 0.95 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 1hk3 h THR 352 CO 0.09 0.19 0.18 0.22 0.37 0.00 0.00 175.52 176.56 1hk3 h TYR 353 N 1.03 0.37 -0.65 3.16 3.20 -0.57 -0.23 116.97 123.27 1hk3 h TYR 353 Ca 0.31 0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.19 1hk3 h TYR 353 Cb -0.04 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.07 1hk3 h TYR 353 CO -0.02 0.26 0.43 1.49 -1.64 0.00 0.00 178.16 178.68 1hk3 h GLU 354 N 0.37 0.86 -0.27 1.82 4.81 -0.82 -1.65 114.58 119.70 1hk3 h GLU 354 Ca 0.10 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.24 1hk3 h GLU 354 Cb -0.00 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.17 1hk3 h GLU 354 CO -0.02 0.57 0.02 1.15 -0.73 0.00 0.00 179.01 180.01 1hk3 h THR 355 N 0.88 1.24 -0.37 0.32 2.02 -1.00 -0.26 112.91 115.74 1hk3 h THR 355 Ca 0.24 -0.85 0.00 0.00 0.77 0.00 0.00 66.41 66.57 1hk3 h THR 355 Cb -0.09 1.28 -0.02 0.00 -1.74 0.00 0.00 68.15 67.58 1hk3 h THR 355 CO -0.05 0.27 0.23 0.74 0.37 0.00 0.00 175.52 177.08 1hk3 h THR 356 N 0.25 1.10 0.07 3.16 2.02 -0.77 -1.86 112.91 116.89 1hk3 h THR 356 Ca 0.08 -0.21 -0.00 0.00 0.77 0.00 0.00 66.41 67.05 1hk3 h THR 356 Cb 0.38 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 67.35 1hk3 h THR 356 CO 0.01 0.10 -0.03 -0.07 0.37 0.00 0.00 175.52 175.90 1hk3 h LEU 357 N 0.51 -0.08 -0.99 2.58 3.38 -1.15 -0.93 115.31 118.63 1hk3 h LEU 357 Ca 0.14 -0.51 0.33 0.00 0.09 0.00 0.00 57.88 57.92 1hk3 h LEU 357 Cb -0.04 0.02 -0.18 0.00 0.09 0.00 0.00 40.66 40.56 1hk3 h LEU 357 CO -0.03 0.60 0.26 -0.08 0.09 0.00 0.00 178.44 179.28 1hk3 h GLU 358 N -0.90 0.03 0.01 1.13 4.57 -0.78 0.23 114.58 118.87 1hk3 h GLU 358 Ca -0.01 -0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1hk3 h GLU 358 Cb 0.59 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.17 1hk3 h GLU 358 CO 0.02 0.02 -0.00 0.87 -1.18 0.00 0.00 179.01 178.73 1hk3 h LYS 359 N 0.03 -0.01 -0.50 1.92 1.79 -1.40 -3.37 116.57 115.03 1hk3 h LYS 359 Ca 0.70 0.00 0.04 0.00 -2.18 0.00 0.00 60.65 59.21 1hk3 h LYS 359 Cb 1.64 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 32.26 1hk3 h LYS 359 CO -0.84 0.78 0.33 0.00 -1.08 0.00 0.00 179.45 178.65 1hk3 n ALA 362 N -0.45 1.95 -0.55 0.00 0.00 -1.10 -5.01 120.51 115.35 1hk3 n ALA 362 Ca 0.00 -0.11 -0.26 0.00 0.00 0.00 0.00 53.44 53.07 1hk3 n ALA 362 Cb 0.02 0.32 0.18 0.00 0.00 0.00 0.00 19.45 19.97 1hk3 n ALA 362 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1hk3 n ALA 363 N -2.30 -2.96 -0.61 0.00 0.00 -1.08 -4.96 120.51 108.60 1hk3 n ALA 363 Ca -0.03 -1.29 0.00 0.00 0.00 0.00 0.00 53.44 52.12 1hk3 n ALA 363 Cb 0.55 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.70 1hk3 n ALA 363 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1hk3 n ALA 364 N -4.65 -0.16 -3.58 0.00 0.00 -1.26 -4.30 120.51 106.56 1hk3 n ALA 364 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.08 1hk3 n ALA 364 Cb 0.51 0.06 -0.07 0.00 0.00 0.00 0.00 19.45 19.96 1hk3 n ALA 364 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1hk3 s ASP 365 N -2.18 5.77 0.21 0.00 2.15 -1.26 -4.97 116.67 116.39 1hk3 s ASP 365 Ca 0.00 -2.78 -0.18 0.00 0.43 0.00 0.00 52.55 50.01 1hk3 s ASP 365 Cb 0.00 -1.98 0.20 0.00 -0.30 0.00 0.00 42.92 40.84 1hk3 s ASP 365 CO 0.00 -0.45 1.57 -0.65 -0.17 0.00 0.00 175.17 175.47 1hk3 h PRO 366 N 7.31 -0.07 -0.82 4.34 0.11 -1.75 -2.46 132.00 138.67 1hk3 h PRO 366 Ca 0.02 0.00 0.19 0.00 0.11 0.00 0.00 66.00 66.32 1hk3 h PRO 366 Cb 0.98 0.01 -0.15 0.00 0.11 0.00 0.00 31.00 31.96 1hk3 h PRO 366 CO 0.73 -0.04 -0.08 1.25 -0.21 0.00 0.00 178.00 179.65 1hk3 h HIS 367 N -0.07 -0.21 -0.05 0.65 2.76 -1.93 -0.64 115.15 115.66 1hk3 h HIS 367 Ca 0.30 0.07 -0.00 0.00 -2.20 0.00 0.00 60.37 58.53 1hk3 h HIS 367 Cb 0.58 0.22 -0.00 0.00 1.55 0.00 0.00 27.41 29.76 1hk3 h HIS 367 CO -0.77 -0.32 0.02 0.93 -1.30 0.00 0.00 177.93 176.49 1hk3 h GLU 368 N 0.05 0.08 -0.62 5.26 4.39 -1.86 -2.20 114.58 119.67 1hk3 h GLU 368 Ca 0.44 -0.02 0.13 0.00 0.34 0.00 0.00 59.36 60.25 1hk3 h GLU 368 Cb 0.76 -0.01 -0.11 0.00 -0.10 0.00 0.00 28.75 29.29 1hk3 h GLU 368 CO -0.78 0.26 -0.07 0.00 -1.16 0.00 0.00 179.01 177.26 1hk3 n TYR 370 N -5.35 1.25 0.44 0.00 0.18 -0.82 -4.47 117.16 108.40 1hk3 n TYR 370 Ca 0.09 -0.64 0.10 0.00 1.88 0.00 0.00 57.90 59.32 1hk3 n TYR 370 Cb 0.35 -0.23 0.42 0.00 -0.38 0.00 0.00 39.34 39.50 1hk3 n TYR 370 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1hk3 n ALA 371 N 0.75 1.67 -1.90 -3.48 0.00 -0.77 -2.86 120.51 113.92 1hk3 n ALA 371 Ca 0.23 0.03 -0.04 0.00 0.00 0.00 0.00 53.44 53.65 1hk3 n ALA 371 Cb 0.83 -1.33 0.12 0.00 0.00 0.00 0.00 19.45 19.07 1hk3 n ALA 371 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1hk3 n LYS 372 N -1.93 2.11 0.26 0.00 4.01 -1.26 -4.77 118.16 116.57 1hk3 n LYS 372 Ca 0.03 -3.48 0.14 0.00 -0.51 0.00 0.00 58.31 54.49 1hk3 n LYS 372 Cb 0.21 -1.68 0.60 0.00 -0.51 0.00 0.00 35.03 33.65 1hk3 n LYS 372 CO 0.00 0.00 0.00 -0.24 -1.11 0.00 0.00 177.40 176.05 1hk3 h VAL 373 N 2.24 0.26 0.00 -0.18 3.04 -1.84 -2.39 116.25 117.39 1hk3 h VAL 373 Ca 0.09 -0.75 -0.08 0.00 -1.01 0.00 0.00 66.70 64.95 1hk3 h VAL 373 Cb 1.28 1.59 -0.01 0.00 -2.01 0.00 0.00 31.29 32.14 1hk3 h VAL 373 CO 0.27 0.10 -0.36 -0.26 -1.01 0.00 0.00 177.57 176.30 1hk3 h PHE 374 N 0.00 0.00 -0.65 3.17 -1.00 -1.87 -2.88 116.94 113.71 1hk3 h PHE 374 Ca -0.00 0.00 -0.09 0.00 2.81 0.00 0.00 57.97 60.69 1hk3 h PHE 374 Cb 0.59 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.12 1hk3 h PHE 374 CO 0.00 0.36 0.07 -0.44 -1.61 0.00 0.00 178.31 176.69 1hk3 h ASP 375 N 0.00 1.06 0.44 2.17 5.19 -1.80 -2.55 116.42 120.93 1hk3 h ASP 375 Ca -0.00 -0.28 0.00 0.00 -0.62 0.00 0.00 57.03 56.13 1hk3 h ASP 375 Cb 1.00 -0.28 0.00 0.00 0.18 0.00 0.00 39.33 40.23 1hk3 h ASP 375 CO 0.05 1.07 0.00 -0.62 -3.12 0.00 0.00 179.24 176.62 1hk3 n GLU 376 N -4.21 0.01 0.02 3.56 1.02 -1.09 -3.03 120.64 116.91 1hk3 n GLU 376 Ca 0.04 0.27 -0.21 0.00 -0.02 0.00 0.00 57.16 57.24 1hk3 n GLU 376 Cb 0.31 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 30.09 1hk3 n GLU 376 CO 0.00 0.00 0.00 0.74 1.18 0.00 0.00 177.13 179.05 1hk3 h PHE 377 N 0.00 0.47 -0.62 -0.32 0.04 -1.50 -3.39 116.94 111.61 1hk3 h PHE 377 Ca 0.00 -0.34 0.10 0.00 2.80 0.00 0.00 57.97 60.53 1hk3 h PHE 377 Cb 0.22 -0.02 -0.10 0.00 2.20 0.00 0.00 35.95 38.25 1hk3 h PHE 377 CO 0.00 1.50 -0.24 1.63 -0.60 0.00 0.00 178.31 180.60 1hk3 n LYS 378 N -3.97 -0.14 -0.10 1.51 4.01 -1.17 0.62 118.16 118.92 1hk3 n LYS 378 Ca -0.22 0.96 -0.07 0.00 -0.51 0.00 0.00 58.31 58.47 1hk3 n LYS 378 Cb 0.88 -1.43 0.01 0.00 -0.51 0.00 0.00 35.03 33.99 1hk3 n LYS 378 CO 0.00 0.00 0.00 -1.35 -1.11 0.00 0.00 177.40 174.94 1hk3 h PRO 379 N 0.00 0.29 0.00 1.97 0.11 -1.76 -2.24 132.00 130.37 1hk3 h PRO 379 Ca 0.22 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.30 1hk3 h PRO 379 Cb 0.38 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.42 1hk3 h PRO 379 CO -0.62 0.19 -0.06 -0.07 -0.21 0.00 0.00 178.00 177.23 1hk3 h LEU 380 N 0.30 0.00 0.05 2.35 3.38 -0.01 -2.62 115.31 118.76 1hk3 h LEU 380 Ca 0.15 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.82 1hk3 h LEU 380 Cb 0.11 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1hk3 h LEU 380 CO -0.14 0.06 -1.65 0.58 0.09 0.00 0.00 178.44 177.38 1hk3 h VAL 381 N 0.00 0.96 0.00 1.22 2.07 -0.69 -3.38 116.25 116.44 1hk3 h VAL 381 Ca -0.00 -2.74 -0.19 0.00 0.82 0.00 0.00 66.70 64.59 1hk3 h VAL 381 Cb 0.30 2.55 -0.03 0.00 -1.52 0.00 0.00 31.29 32.59 1hk3 h VAL 381 CO 0.01 0.68 -1.06 -0.33 0.02 0.00 0.00 177.57 176.89 1hk3 h GLU 382 N 0.03 0.00 -0.34 1.57 5.08 -1.32 -3.08 114.58 116.51 1hk3 h GLU 382 Ca -0.27 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.15 1hk3 h GLU 382 Cb 1.99 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 31.19 1hk3 h GLU 382 CO 0.10 0.67 0.01 1.49 -1.00 0.00 0.00 179.01 180.28 1hk3 h GLU 383 N 0.00 0.10 -0.25 2.33 4.22 -1.64 -0.70 114.58 118.64 1hk3 h GLU 383 Ca -0.08 -0.01 -0.03 0.00 0.08 0.00 0.00 59.36 59.32 1hk3 h GLU 383 Cb 1.68 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.90 1hk3 h GLU 383 CO 0.09 0.07 0.03 -1.35 -2.18 0.00 0.00 179.01 175.67 1hk3 h PRO 384 N 0.11 0.42 -0.22 0.92 0.11 -1.74 -3.11 132.00 128.49 1hk3 h PRO 384 Ca 0.17 -0.12 0.04 0.00 0.11 0.00 0.00 66.00 66.19 1hk3 h PRO 384 Cb 0.23 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 31.25 1hk3 h PRO 384 CO -0.27 0.57 -0.02 1.96 -0.21 0.00 0.00 178.00 180.02 1hk3 h GLN 385 N 0.22 0.05 -0.00 1.05 4.20 -1.37 -2.44 115.11 116.82 1hk3 h GLN 385 Ca 0.07 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.78 1hk3 h GLN 385 Cb 0.36 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.13 1hk3 h GLN 385 CO 0.01 0.03 0.00 -0.91 -0.67 0.00 0.00 178.83 177.29 1hk3 h ASN 386 N 0.05 0.00 -0.50 1.46 2.35 -1.19 -1.28 115.58 116.47 1hk3 h ASN 386 Ca 0.10 -0.01 0.08 0.00 -0.55 0.00 0.00 56.30 55.93 1hk3 h ASN 386 Cb 0.14 -0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.44 1hk3 h ASN 386 CO -0.19 0.01 0.11 0.25 -1.65 0.00 0.00 177.43 175.96 1hk3 h LEU 387 N -0.01 0.02 -1.24 1.61 6.46 -1.46 0.17 115.31 120.86 1hk3 h LEU 387 Ca 0.00 0.09 -0.06 0.00 -0.12 0.00 0.00 57.88 57.79 1hk3 h LEU 387 Cb 0.01 0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 40.04 1hk3 h LEU 387 CO -0.00 0.04 -0.12 0.40 -0.62 0.00 0.00 178.44 178.14 1hk3 h ILE 388 N 0.25 1.21 -0.17 4.05 5.03 -1.18 -1.58 117.51 125.11 1hk3 h ILE 388 Ca 0.25 -0.90 -0.06 0.00 -0.12 0.00 0.00 64.86 64.03 1hk3 h ILE 388 Cb 0.33 1.16 -0.00 0.00 -3.03 0.00 0.00 36.82 35.28 1hk3 h ILE 388 CO -0.32 0.29 -0.12 0.50 -0.68 0.00 0.00 178.15 177.82 1hk3 h LYS 389 N 0.36 0.38 0.54 2.37 3.11 0.05 -2.71 116.57 120.66 1hk3 h LYS 389 Ca 0.07 -0.18 -0.03 0.00 -2.81 0.00 0.00 60.65 57.70 1hk3 h LYS 389 Cb 0.43 -0.00 0.01 0.00 -1.00 0.00 0.00 32.23 31.66 1hk3 h LYS 389 CO 0.02 0.72 -0.26 1.96 -2.81 0.00 0.00 179.45 179.09 1hk3 h GLN 390 N 0.03 -0.70 0.00 1.90 4.20 -0.40 -2.46 115.11 117.69 1hk3 h GLN 390 Ca 0.03 0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.79 1hk3 h GLN 390 Cb 0.63 0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.57 1hk3 h GLN 390 CO 0.03 -0.43 0.00 0.27 -0.67 0.00 0.00 178.83 178.03 1hk3 n ASN 391 N -5.37 0.59 0.13 1.46 6.94 -0.62 -1.23 115.26 117.16 1hk3 n ASN 391 Ca -0.12 0.66 -0.23 0.00 -0.02 0.00 0.00 54.58 54.87 1hk3 n ASN 391 Cb 0.31 -0.78 -0.15 0.00 -2.36 0.00 0.00 39.78 36.80 1hk3 n ASN 391 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1hk3 h GLU 393 N 0.13 -0.29 -0.85 0.00 5.08 -0.90 -1.98 114.58 115.76 1hk3 h GLU 393 Ca -0.25 0.02 0.16 0.00 -1.00 0.00 0.00 59.36 58.30 1hk3 h GLU 393 Cb 2.13 0.07 -0.10 0.00 0.50 0.00 0.00 28.75 31.35 1hk3 h GLU 393 CO 0.25 -0.11 0.41 1.25 -1.00 0.00 0.00 179.01 179.81 1hk3 h LEU 394 N -0.42 0.45 -0.59 1.33 5.85 -1.23 -0.71 115.31 119.99 1hk3 h LEU 394 Ca -0.03 0.11 0.05 0.00 0.84 0.00 0.00 57.88 58.84 1hk3 h LEU 394 Cb 0.32 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.35 1hk3 h LEU 394 CO 0.05 0.15 0.33 0.15 -0.34 0.00 0.00 178.44 178.78 1hk3 h PHE 395 N 0.55 0.61 -0.28 1.25 3.57 -0.47 0.44 116.94 122.60 1hk3 h PHE 395 Ca 0.48 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.90 1hk3 h PHE 395 Cb 0.75 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.29 1hk3 h PHE 395 CO -0.11 0.31 -0.26 0.93 -2.23 0.00 0.00 178.31 176.95 1hk3 h GLU 396 N 0.63 0.56 0.00 1.11 5.08 -0.48 0.05 114.58 121.53 1hk3 h GLU 396 Ca 0.26 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1hk3 h GLU 396 Cb 0.12 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 1hk3 h GLU 396 CO -0.15 0.78 -0.03 0.37 -1.00 0.00 0.00 179.01 178.97 1hk3 h GLN 397 N 0.49 0.00 0.00 2.33 4.15 -0.55 -3.38 115.11 118.15 1hk3 h GLN 397 Ca 0.07 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.49 1hk3 h GLN 397 Cb 0.71 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.40 1hk3 h GLN 397 CO 0.05 0.03 -0.53 1.28 -1.93 0.00 0.00 178.83 177.73 1hk3 n LEU 398 N -3.12 0.00 0.00 -2.39 4.77 0.08 -5.07 117.00 111.28 1hk3 n LEU 398 Ca 0.02 -0.11 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 1hk3 n LEU 398 Cb 0.45 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 1hk3 n LEU 398 CO 0.32 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 1hk3 n GLY 399 N 1.54 -2.32 0.46 -0.72 0.00 -0.01 -3.98 105.19 100.17 1hk3 n GLY 399 Ca 0.00 -1.47 -0.15 0.00 0.00 0.00 0.00 46.02 44.40 1hk3 n GLY 399 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1hk3 h GLU 400 N 0.00 -0.62 -0.25 1.61 4.81 -1.95 -2.17 114.58 116.00 1hk3 h GLU 400 Ca 0.00 0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.32 1hk3 h GLU 400 Cb 0.00 0.14 -0.08 0.00 0.63 0.00 0.00 28.75 29.45 1hk3 h GLU 400 CO 0.00 -0.41 -0.48 -0.92 -0.73 0.00 0.00 179.01 176.46 1hk3 h TYR 401 N -0.64 -1.42 -0.08 0.92 3.20 -1.98 -1.06 116.97 115.91 1hk3 h TYR 401 Ca 0.02 0.06 -0.08 0.00 3.14 0.00 0.00 58.73 61.88 1hk3 h TYR 401 Cb 0.71 0.66 -0.01 0.00 1.54 0.00 0.00 36.73 39.62 1hk3 h TYR 401 CO -0.51 -0.49 -0.30 0.87 -1.64 0.00 0.00 178.16 176.09 1hk3 h LYS 402 N -0.46 0.15 0.25 1.82 1.79 -1.68 -2.63 116.57 115.81 1hk3 h LYS 402 Ca 0.08 -0.05 -0.01 0.00 -2.18 0.00 0.00 60.65 58.49 1hk3 h LYS 402 Cb 0.63 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.27 1hk3 h LYS 402 CO -0.49 0.44 -0.12 0.35 -1.08 0.00 0.00 179.45 178.55 1hk3 h PHE 403 N 0.14 -0.31 -0.85 -1.35 3.57 -0.80 -1.42 116.94 115.92 1hk3 h PHE 403 Ca 0.02 -0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.62 1hk3 h PHE 403 Cb 0.60 0.10 -0.08 0.00 2.79 0.00 0.00 35.95 39.36 1hk3 h PHE 403 CO 0.01 -0.11 0.48 1.96 -2.23 0.00 0.00 178.31 178.42 1hk3 h GLN 404 N -0.44 0.76 -0.67 1.11 4.20 -1.07 0.13 115.11 119.13 1hk3 h GLN 404 Ca -0.03 -0.05 0.03 0.00 0.06 0.00 0.00 58.65 58.66 1hk3 h GLN 404 Cb 0.33 -0.17 -0.04 0.00 0.30 0.00 0.00 27.48 27.91 1hk3 h GLN 404 CO 0.06 0.50 0.44 -0.91 -0.67 0.00 0.00 178.83 178.25 1hk3 h ASN 405 N 0.78 0.69 -0.61 1.46 2.35 -1.17 1.07 115.58 120.15 1hk3 h ASN 405 Ca 0.42 -0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 56.10 1hk3 h ASN 405 Cb 0.43 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.61 1hk3 h ASN 405 CO -0.27 0.48 0.14 0.00 -1.65 0.00 0.00 177.43 176.13 1hk3 h ALA 406 N 1.61 0.81 -0.09 -0.83 0.00 0.32 -2.29 119.26 118.78 1hk3 h ALA 406 Ca 0.26 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1hk3 h ALA 406 Cb 0.05 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1hk3 h ALA 406 CO -0.07 0.53 -0.06 -0.07 0.00 0.00 0.00 179.25 179.57 1hk3 h LEU 407 N 0.90 0.21 -0.76 0.00 3.38 -0.09 -2.24 115.31 116.71 1hk3 h LEU 407 Ca 0.19 -0.44 0.07 0.00 0.09 0.00 0.00 57.88 57.79 1hk3 h LEU 407 Cb 0.36 -0.06 -0.10 0.00 0.09 0.00 0.00 40.66 40.96 1hk3 h LEU 407 CO 0.00 0.61 -0.50 -0.07 0.09 0.00 0.00 178.44 178.58 1hk3 h LEU 408 N -0.18 -1.80 -0.10 1.67 3.38 0.13 0.99 115.31 119.39 1hk3 h LEU 408 Ca 0.02 0.27 0.03 0.00 0.09 0.00 0.00 57.88 58.29 1hk3 h LEU 408 Cb 0.54 0.79 -0.03 0.00 0.09 0.00 0.00 40.66 42.04 1hk3 h LEU 408 CO 0.02 -0.22 -0.09 0.58 0.09 0.00 0.00 178.44 178.81 1hk3 h VAL 409 N -0.06 0.74 -0.39 1.22 2.07 -1.43 -0.69 116.25 117.70 1hk3 h VAL 409 Ca 0.12 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.70 1hk3 h VAL 409 Cb 0.38 0.74 -0.05 0.00 -1.52 0.00 0.00 31.29 30.83 1hk3 h VAL 409 CO -0.75 0.00 0.08 -0.09 0.02 0.00 0.00 177.57 176.83 1hk3 h ARG 410 N -0.11 0.21 0.00 1.57 9.65 -0.55 -2.66 114.38 122.47 1hk3 h ARG 410 Ca 0.07 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.94 1hk3 h ARG 410 Cb 0.21 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 28.75 1hk3 h ARG 410 CO -0.17 0.14 0.00 1.88 2.80 0.00 0.00 179.97 184.62 1hk3 h TYR 411 N 0.21 0.00 0.00 2.20 -1.99 -0.71 -3.14 116.97 113.54 1hk3 h TYR 411 Ca 0.19 0.00 -0.12 0.00 2.00 0.00 0.00 58.73 60.79 1hk3 h TYR 411 Cb 0.21 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.93 1hk3 h TYR 411 CO -0.19 0.00 -0.58 1.15 -0.00 0.00 0.00 178.16 178.54 1hk3 h THR 412 N 0.00 1.24 0.00 -2.88 2.02 -0.78 -2.45 112.91 110.06 1hk3 h THR 412 Ca 0.00 -2.13 -0.20 0.00 0.77 0.00 0.00 66.41 64.85 1hk3 h THR 412 Cb 0.92 2.21 -0.03 0.00 -1.74 0.00 0.00 68.15 69.51 1hk3 h THR 412 CO 0.00 0.57 -0.98 0.11 0.37 0.00 0.00 175.52 175.59 1hk3 h LYS 413 N 0.00 0.00 -0.30 6.66 1.57 -1.49 -1.97 116.57 121.04 1hk3 h LYS 413 Ca -0.01 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 1hk3 h LYS 413 Cb 1.16 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.46 1hk3 h LYS 413 CO 0.08 0.96 -0.16 0.87 -0.57 0.00 0.00 179.45 180.62 1hk3 h LYS 414 N 0.00 0.63 -2.06 3.15 1.57 -1.49 -0.15 116.57 118.22 1hk3 h LYS 414 Ca -0.02 -0.28 -0.57 0.00 -1.87 0.00 0.00 60.65 57.92 1hk3 h LYS 414 Cb 1.75 -0.01 -0.39 0.00 0.08 0.00 0.00 32.23 33.65 1hk3 h LYS 414 CO 0.12 0.87 -1.04 1.33 -0.57 0.00 0.00 179.45 180.16 1hk3 n VAL 415 N -4.39 -0.40 0.26 0.50 0.24 -0.94 -4.19 118.33 109.42 1hk3 n VAL 415 Ca -0.03 -4.10 0.10 0.00 -2.04 0.00 0.00 64.34 58.27 1hk3 n VAL 415 Cb 0.38 -1.95 0.70 0.00 -1.47 0.00 0.00 33.84 31.50 1hk3 n VAL 415 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 1hk3 h PRO 416 N 4.16 0.00 -0.69 7.34 0.11 -1.56 -2.63 132.00 138.72 1hk3 h PRO 416 Ca 0.10 0.00 0.06 0.00 0.11 0.00 0.00 66.00 66.27 1hk3 h PRO 416 Cb 0.86 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.93 1hk3 h PRO 416 CO 0.50 0.05 0.46 1.96 -0.21 0.00 0.00 178.00 180.75 1hk3 h GLN 417 N 0.00 0.71 -6.83 1.05 7.50 -1.87 -3.44 115.11 112.24 1hk3 h GLN 417 Ca -0.00 -0.04 -0.56 0.00 0.50 0.00 0.00 58.65 58.55 1hk3 h GLN 417 Cb 0.10 -0.16 0.12 0.00 0.05 0.00 0.00 27.48 27.59 1hk3 h GLN 417 CO 0.01 0.47 0.55 0.28 -1.50 0.00 0.00 178.83 178.64 1hk3 n VAL 418 N -4.48 2.36 -1.72 -0.54 0.31 -1.00 -4.93 118.33 108.33 1hk3 n VAL 418 Ca 0.10 -0.50 -0.38 0.00 -0.01 0.00 0.00 64.34 63.55 1hk3 n VAL 418 Cb 0.21 -1.64 0.06 0.00 -0.91 0.00 0.00 33.84 31.56 1hk3 n VAL 418 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1hk3 n SER 419 N 0.35 2.13 -0.14 4.52 3.41 -1.26 -4.80 113.62 117.82 1hk3 n SER 419 Ca 0.05 0.87 -0.09 0.00 -0.26 0.00 0.00 58.87 59.45 1hk3 n SER 419 Cb 0.39 -1.55 -0.00 0.00 -0.26 0.00 0.00 64.21 62.79 1hk3 n SER 419 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1hk3 h THR 420 N 0.80 1.19 -0.97 6.66 2.02 -1.93 -1.55 112.91 119.13 1hk3 h THR 420 Ca -0.51 -0.55 0.09 0.00 0.77 0.00 0.00 66.41 66.21 1hk3 h THR 420 Cb 1.33 0.76 -0.07 0.00 -1.74 0.00 0.00 68.15 68.44 1hk3 h THR 420 CO 0.54 0.21 0.62 -0.65 0.37 0.00 0.00 175.52 176.61 1hk3 h PRO 421 N 0.55 1.01 -0.24 6.66 0.11 -1.99 -1.48 132.00 136.62 1hk3 h PRO 421 Ca 0.14 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 66.11 1hk3 h PRO 421 Cb 0.15 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.03 1hk3 h PRO 421 CO -0.02 0.67 -0.17 1.15 -0.21 0.00 0.00 178.00 179.43 1hk3 h THR 422 N 1.04 1.31 -0.42 -1.15 2.02 -1.87 -2.00 112.91 111.84 1hk3 h THR 422 Ca 0.44 -1.28 -0.04 0.00 0.77 0.00 0.00 66.41 66.30 1hk3 h THR 422 Cb 0.32 1.62 -0.02 0.00 -1.74 0.00 0.00 68.15 68.34 1hk3 h THR 422 CO -0.20 0.40 0.09 -0.07 0.37 0.00 0.00 175.52 176.11 1hk3 h LEU 423 N 0.25 0.59 0.15 2.58 3.38 -0.76 -0.79 115.31 120.71 1hk3 h LEU 423 Ca 0.05 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1hk3 h LEU 423 Cb 0.69 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1hk3 h LEU 423 CO 0.04 0.60 -0.07 0.58 0.09 0.00 0.00 178.44 179.68 1hk3 h VAL 424 N 0.62 0.98 0.30 1.22 2.07 -1.25 -1.61 116.25 118.58 1hk3 h VAL 424 Ca 0.14 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.94 1hk3 h VAL 424 Cb 0.26 1.42 -0.04 0.00 -1.52 0.00 0.00 31.29 31.41 1hk3 h VAL 424 CO -0.00 0.17 -0.50 -0.08 0.02 0.00 0.00 177.57 177.18 1hk3 h GLU 425 N -0.56 -0.82 0.38 1.57 4.57 -1.16 0.40 114.58 118.95 1hk3 h GLU 425 Ca -0.02 0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.20 1hk3 h GLU 425 Cb 0.43 0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 29.20 1hk3 h GLU 425 CO 0.03 -0.55 -0.24 0.28 -1.18 0.00 0.00 179.01 177.36 1hk3 h VAL 426 N -0.86 0.50 -0.76 0.32 2.07 -1.24 -2.13 116.25 114.15 1hk3 h VAL 426 Ca -0.03 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.62 1hk3 h VAL 426 Cb 0.80 0.50 -0.09 0.00 -1.52 0.00 0.00 31.29 30.98 1hk3 h VAL 426 CO -0.17 0.00 0.35 0.28 0.02 0.00 0.00 177.57 178.05 1hk3 h SER 427 N -0.59 0.39 0.07 0.57 0.02 -1.22 0.46 113.55 113.25 1hk3 h SER 427 Ca -0.04 0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1hk3 h SER 427 Cb 0.49 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.07 1hk3 h SER 427 CO 0.04 0.18 -0.04 0.03 -1.14 0.00 0.00 176.83 175.90 1hk3 h ARG 428 N 0.53 -0.10 -0.36 3.45 3.08 -0.69 0.20 114.38 120.50 1hk3 h ARG 428 Ca 0.41 0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.47 1hk3 h ARG 428 Cb 0.56 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.61 1hk3 h ARG 428 CO -0.35 -0.07 0.24 -0.91 -1.07 0.00 0.00 179.97 177.81 1hk3 h ASN 429 N -0.10 0.39 -0.34 7.04 2.35 -0.56 0.24 115.58 124.60 1hk3 h ASN 429 Ca -0.01 -0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.67 1hk3 h ASN 429 Cb 0.08 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.35 1hk3 h ASN 429 CO 0.01 0.28 -0.02 -0.07 -1.65 0.00 0.00 177.43 175.98 1hk3 h LEU 430 N 0.45 0.60 -1.75 1.61 3.38 0.51 -2.96 115.31 117.16 1hk3 h LEU 430 Ca 0.13 -0.32 0.05 0.00 0.09 0.00 0.00 57.88 57.83 1hk3 h LEU 430 Cb -0.01 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1hk3 h LEU 430 CO -0.03 0.78 0.25 1.23 0.09 0.00 0.00 178.44 180.76 1hk3 h GLY 431 N 0.41 0.38 2.00 0.83 0.00 0.14 -2.04 103.07 104.78 1hk3 h GLY 431 Ca 0.09 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1hk3 h GLY 431 CO 0.02 0.10 0.00 0.28 0.00 0.00 0.00 176.54 176.95 1hk3 n LYS 432 N -4.48 0.03 -0.04 4.80 5.02 -0.46 -2.58 118.16 120.44 1hk3 n LYS 432 Ca 0.04 0.49 -0.09 0.00 -2.02 0.00 0.00 58.31 56.73 1hk3 n LYS 432 Cb 0.21 -1.59 -0.03 0.00 -0.02 0.00 0.00 35.03 33.61 1hk3 n LYS 432 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1hk3 h VAL 433 N 0.00 0.96 -0.24 -0.18 2.07 -1.51 -1.73 116.25 115.62 1hk3 h VAL 433 Ca 0.00 -0.06 0.05 0.00 0.82 0.00 0.00 66.70 67.51 1hk3 h VAL 433 Cb 0.04 0.77 -0.07 0.00 -1.52 0.00 0.00 31.29 30.50 1hk3 h VAL 433 CO 0.00 0.03 -0.47 1.23 0.02 0.00 0.00 177.57 178.38 1hk3 h GLY 434 N 0.18 -0.80 2.00 2.17 0.00 -1.73 -0.40 103.07 104.49 1hk3 h GLY 434 Ca 0.09 0.59 -0.07 0.00 0.00 0.00 0.00 47.33 47.94 1hk3 h GLY 434 CO -0.08 -0.19 -0.33 1.48 0.00 0.00 0.00 176.54 177.42 1hk3 h SER 435 N -0.46 0.00 1.60 0.19 4.64 -1.76 -1.12 113.55 116.65 1hk3 h SER 435 Ca 0.08 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.35 1hk3 h SER 435 Cb 0.63 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.71 1hk3 h SER 435 CO -0.48 0.33 -0.41 0.50 -0.87 0.00 0.00 176.83 175.90 1hk3 h LYS 436 N 0.00 0.00 0.00 4.77 3.64 -0.76 -3.42 116.57 120.80 1hk3 h LYS 436 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1hk3 h LYS 436 Cb 0.88 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.70 1hk3 h LYS 436 CO 0.04 0.21 -0.68 0.00 -2.27 0.00 0.00 179.45 176.76 1hk3 n LYS 439 N -3.84 0.07 -2.51 0.00 2.85 -1.26 -4.71 118.16 108.75 1hk3 n LYS 439 Ca 0.07 0.20 -0.27 0.00 -1.05 0.00 0.00 58.31 57.26 1hk3 n LYS 439 Cb 0.58 -1.50 0.01 0.00 -0.65 0.00 0.00 35.03 33.47 1hk3 n LYS 439 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 1hk3 s HIS 440 N -2.88 3.45 0.91 5.58 3.76 0.37 -5.08 115.29 121.39 1hk3 s HIS 440 Ca 0.10 0.77 -0.13 0.00 -0.15 0.00 0.00 55.06 55.64 1hk3 s HIS 440 Cb 0.11 -2.48 0.14 0.00 1.11 0.00 0.00 32.58 31.46 1hk3 s HIS 440 CO 0.28 -0.49 1.19 -2.14 -0.85 0.00 0.00 174.74 172.73 1hk3 s PRO 441 N -4.85 1.16 0.16 8.40 0.02 -1.26 -4.80 135.00 133.83 1hk3 s PRO 441 Ca 0.50 0.06 -0.17 0.00 0.02 0.00 0.00 61.00 61.41 1hk3 s PRO 441 Cb -0.10 -1.86 0.08 0.00 0.02 0.00 0.00 34.50 32.64 1hk3 s PRO 441 CO 0.45 -2.14 1.67 1.05 -0.33 0.00 0.00 177.00 177.70 1hk3 h GLU 442 N -1.45 -0.01 -0.98 5.54 9.09 -1.97 -2.44 114.58 122.37 1hk3 h GLU 442 Ca -0.47 0.00 0.28 0.00 0.05 0.00 0.00 59.36 59.22 1hk3 h GLU 442 Cb 1.31 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 28.37 1hk3 h GLU 442 CO 0.57 -0.00 0.80 0.00 0.05 0.00 0.00 179.01 180.42 1hk3 h ALA 443 N 1.37 2.86 -0.06 1.06 0.00 -1.93 -0.86 119.26 121.70 1hk3 h ALA 443 Ca 0.18 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1hk3 h ALA 443 Cb 0.29 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1hk3 h ALA 443 CO -0.40 -1.30 0.00 1.63 0.00 0.00 0.00 179.25 179.18 1hk3 n LYS 444 N -3.95 0.95 0.13 0.00 5.02 -0.94 -4.14 118.16 115.22 1hk3 n LYS 444 Ca 0.21 -1.33 -0.05 0.00 -2.02 0.00 0.00 58.31 55.11 1hk3 n LYS 444 Cb 1.13 -1.24 -0.03 0.00 -0.02 0.00 0.00 35.03 34.87 1hk3 n LYS 444 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1hk3 h ARG 445 N 2.40 -0.35 -0.80 1.97 3.08 -0.88 -3.17 114.38 116.63 1hk3 h ARG 445 Ca 0.00 0.02 0.19 0.00 0.07 0.00 0.00 59.98 60.27 1hk3 h ARG 445 Cb 0.54 0.08 -0.13 0.00 0.08 0.00 0.00 29.97 30.54 1hk3 h ARG 445 CO 0.00 -0.23 0.15 1.98 -1.07 0.00 0.00 179.97 180.80 1hk3 h MET 446 N -0.60 0.19 0.00 0.04 4.05 -1.85 0.97 114.93 117.74 1hk3 h MET 446 Ca -0.04 -0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 59.34 1hk3 h MET 446 Cb 0.27 -0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 31.03 1hk3 h MET 446 CO 0.06 0.13 -0.15 -1.00 0.23 0.00 0.00 176.91 176.18 1hk3 h PRO 447 N 0.20 0.00 0.08 0.39 0.13 -1.79 0.21 132.00 131.22 1hk3 h PRO 447 Ca 0.47 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 65.43 1hk3 h PRO 447 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 1hk3 h PRO 447 CO -0.61 0.15 -0.85 0.00 -0.23 0.00 0.00 178.00 176.46 1hk3 n ALA 449 N -2.83 -0.21 -0.08 0.00 0.00 0.31 -2.95 120.51 114.76 1hk3 n ALA 449 Ca -0.18 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.38 1hk3 n ALA 449 Cb 0.75 0.00 0.51 0.00 0.00 0.00 0.00 19.45 20.71 1hk3 n ALA 449 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1hk3 h GLU 450 N 0.00 0.38 -0.05 0.00 4.81 -1.18 0.16 114.58 118.69 1hk3 h GLU 450 Ca 0.00 -0.02 -0.15 0.00 -0.13 0.00 0.00 59.36 59.06 1hk3 h GLU 450 Cb 0.00 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 1hk3 h GLU 450 CO 0.00 0.25 -0.62 -0.44 -0.73 0.00 0.00 179.01 177.47 1hk3 h ASP 451 N 0.39 0.22 -0.05 1.04 3.32 -1.68 -2.23 116.42 117.43 1hk3 h ASP 451 Ca 0.27 -0.13 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 1hk3 h ASP 451 Cb 0.56 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 40.04 1hk3 h ASP 451 CO -0.07 0.78 -0.03 0.22 -1.72 0.00 0.00 179.24 178.42 1hk3 h TYR 452 N 0.14 0.14 -0.39 4.55 3.20 -0.91 -2.89 116.97 120.81 1hk3 h TYR 452 Ca -0.01 -0.04 0.11 0.00 3.14 0.00 0.00 58.73 61.94 1hk3 h TYR 452 Cb 1.13 -0.03 -0.02 0.00 1.54 0.00 0.00 36.73 39.35 1hk3 h TYR 452 CO 0.02 0.52 0.28 -0.07 -1.64 0.00 0.00 178.16 177.28 1hk3 h LEU 453 N -0.29 0.00 -0.49 2.82 3.38 -0.73 -0.16 115.31 119.85 1hk3 h LEU 453 Ca 0.01 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.84 1hk3 h LEU 453 Cb 0.49 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1hk3 h LEU 453 CO 0.01 0.00 -0.34 0.28 0.09 0.00 0.00 178.44 178.48 1hk3 h SER 454 N 0.00 0.91 0.37 -0.43 0.02 -1.22 -1.49 113.55 111.72 1hk3 h SER 454 Ca 0.19 -0.40 -0.02 0.00 -0.84 0.00 0.00 61.79 60.72 1hk3 h SER 454 Cb 0.75 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.04 1hk3 h SER 454 CO -0.00 1.17 -0.18 0.58 -1.14 0.00 0.00 176.83 177.26 1hk3 h VAL 455 N 0.72 0.65 -0.60 2.27 2.07 -0.85 -1.98 116.25 118.52 1hk3 h VAL 455 Ca 0.07 -0.16 0.08 0.00 0.82 0.00 0.00 66.70 67.51 1hk3 h VAL 455 Cb 0.91 0.73 -0.06 0.00 -1.52 0.00 0.00 31.29 31.35 1hk3 h VAL 455 CO 0.08 0.03 0.27 0.58 0.02 0.00 0.00 177.57 178.55 1hk3 h VAL 456 N -0.58 0.85 0.00 2.57 2.07 -1.34 0.31 116.25 120.12 1hk3 h VAL 456 Ca -0.05 -0.17 -0.03 0.00 0.82 0.00 0.00 66.70 67.27 1hk3 h VAL 456 Cb 0.43 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1hk3 h VAL 456 CO 0.08 0.09 -0.13 -0.07 0.02 0.00 0.00 177.57 177.56 1hk3 h LEU 457 N 0.49 0.00 -0.69 2.57 3.38 -1.19 -1.90 115.31 117.96 1hk3 h LEU 457 Ca 0.29 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.12 1hk3 h LEU 457 Cb 0.29 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1hk3 h LEU 457 CO -0.25 0.13 -0.59 -1.13 0.09 0.00 0.00 178.44 176.69 1hk3 h ASN 458 N 0.00 0.24 -0.54 -0.43 -1.24 -0.16 -0.22 115.58 113.23 1hk3 h ASN 458 Ca -0.00 -0.13 -0.03 0.00 0.71 0.00 0.00 56.30 56.85 1hk3 h ASN 458 Cb 0.27 -0.07 -0.02 0.00 0.73 0.00 0.00 38.32 39.23 1hk3 h ASN 458 CO 0.02 0.77 0.23 -0.61 -1.29 0.00 0.00 177.43 176.56 1hk3 h GLN 459 N 0.16 0.79 -0.22 6.67 4.15 -0.74 0.70 115.11 126.61 1hk3 h GLN 459 Ca -0.00 -0.13 0.02 0.00 0.77 0.00 0.00 58.65 59.31 1hk3 h GLN 459 Cb 1.08 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 28.62 1hk3 h GLN 459 CO 0.09 0.67 0.07 1.25 -1.93 0.00 0.00 178.83 178.99 1hk3 h LEU 460 N 0.72 0.08 0.00 -2.39 5.85 -1.18 -1.17 115.31 117.22 1hk3 h LEU 460 Ca 0.18 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.93 1hk3 h LEU 460 Cb 0.16 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.21 1hk3 h LEU 460 CO -0.02 0.08 -0.01 0.00 -0.34 0.00 0.00 178.44 178.15 1hk3 h VAL 462 N -0.02 1.26 -0.11 0.00 -1.51 -0.72 0.46 116.25 115.61 1hk3 h VAL 462 Ca 0.00 -0.83 -0.02 0.00 -1.23 0.00 0.00 66.70 64.63 1hk3 h VAL 462 Cb 0.03 0.36 -0.00 0.00 -2.13 0.00 0.00 31.29 29.55 1hk3 h VAL 462 CO -0.01 0.33 -0.00 -0.07 -1.23 0.00 0.00 177.57 176.59 1hk3 h LEU 463 N 1.11 0.19 -1.80 4.19 3.38 -1.02 -3.05 115.31 118.31 1hk3 h LEU 463 Ca 0.25 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1hk3 h LEU 463 Cb 0.23 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1hk3 h LEU 463 CO -0.02 0.46 0.03 -0.74 0.09 0.00 0.00 178.44 178.25 1hk3 h HIS 464 N -0.09 0.15 0.00 1.13 2.76 -0.28 -2.53 115.15 116.29 1hk3 h HIS 464 Ca 0.03 -0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.19 1hk3 h HIS 464 Cb 0.36 -0.05 -0.00 0.00 1.55 0.00 0.00 27.41 29.27 1hk3 h HIS 464 CO 0.03 0.14 -0.06 1.49 -1.30 0.00 0.00 177.93 178.24 1hk3 h GLU 465 N 0.15 0.00 0.50 5.26 4.81 -0.79 -2.38 114.58 122.13 1hk3 h GLU 465 Ca 0.04 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.25 1hk3 h GLU 465 Cb 0.06 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.45 1hk3 h GLU 465 CO -0.00 0.06 -0.24 0.87 -0.73 0.00 0.00 179.01 178.96 1hk3 h LYS 466 N 0.00 -0.65 -3.01 1.92 1.57 -1.52 -3.39 116.57 111.50 1hk3 h LYS 466 Ca -0.00 0.04 -0.62 0.00 -1.87 0.00 0.00 60.65 58.21 1hk3 h LYS 466 Cb 0.17 0.15 -0.41 0.00 0.08 0.00 0.00 32.23 32.21 1hk3 h LYS 466 CO 0.01 -0.43 -0.63 0.95 -0.57 0.00 0.00 179.45 178.78 1hk3 s THR 467 N -3.98 2.54 0.54 -0.16 -4.23 -1.21 -5.10 115.64 104.04 1hk3 s THR 467 Ca -0.10 -4.01 -0.21 0.00 -1.18 0.00 0.00 61.69 56.19 1hk3 s THR 467 Cb 0.01 -2.68 -0.05 0.00 1.34 0.00 0.00 72.50 71.12 1hk3 s THR 467 CO 0.30 -1.02 1.31 -2.16 -0.54 0.00 0.00 174.62 172.50 1hk3 s PRO 468 N -1.19 3.20 0.00 3.99 0.04 -0.90 -4.91 135.00 135.23 1hk3 s PRO 468 Ca 0.25 2.11 0.00 0.00 0.04 0.00 0.00 61.00 63.41 1hk3 s PRO 468 Cb -0.05 -2.23 0.00 0.00 0.04 0.00 0.00 34.50 32.26 1hk3 s PRO 468 CO -0.16 -1.10 0.29 1.33 0.04 0.00 0.00 177.00 177.39 1hk3 n VAL 469 N -1.03 0.00 -3.45 -0.36 0.24 -1.26 -5.07 118.33 107.40 1hk3 n VAL 469 Ca 0.10 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.34 1hk3 n VAL 469 Cb 0.46 0.49 -0.07 0.00 -1.47 0.00 0.00 33.84 33.25 1hk3 n VAL 469 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1hk3 s SER 470 N -0.03 -0.32 0.39 -1.34 0.15 -1.26 -4.76 113.70 106.53 1hk3 s SER 470 Ca 0.00 0.72 0.28 0.00 0.70 0.00 0.00 55.95 57.65 1hk3 s SER 470 Cb 0.00 1.47 1.21 0.00 -1.71 0.00 0.00 66.02 66.99 1hk3 s SER 470 CO 0.00 -0.26 1.85 0.44 1.20 0.00 0.00 173.24 176.46 1hk3 h ASP 471 N 8.13 0.00 0.04 5.45 5.19 -1.98 -1.99 116.42 131.26 1hk3 h ASP 471 Ca -0.19 0.00 -0.24 0.00 -0.62 0.00 0.00 57.03 55.98 1hk3 h ASP 471 Cb 1.13 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.66 1hk3 h ASP 471 CO 0.20 0.00 -0.94 0.03 -3.12 0.00 0.00 179.24 175.42 1hk3 h ARG 472 N 0.00 0.66 -0.34 3.56 3.08 -1.97 -1.57 114.38 117.80 1hk3 h ARG 472 Ca 0.00 -0.65 -0.14 0.00 0.07 0.00 0.00 59.98 59.27 1hk3 h ARG 472 Cb 0.39 0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 1hk3 h ARG 472 CO 0.00 1.25 -0.33 0.28 -1.07 0.00 0.00 179.97 180.10 1hk3 h VAL 473 N 0.40 1.29 -0.16 2.04 2.07 -1.79 -2.14 116.25 117.95 1hk3 h VAL 473 Ca -0.09 -1.49 -0.06 0.00 0.82 0.00 0.00 66.70 65.87 1hk3 h VAL 473 Cb 1.58 1.48 -0.01 0.00 -1.52 0.00 0.00 31.29 32.81 1hk3 h VAL 473 CO 0.18 0.49 -0.18 0.74 0.02 0.00 0.00 177.57 178.82 1hk3 h THR 474 N 0.60 1.21 0.49 2.57 2.02 -1.40 0.30 112.91 118.69 1hk3 h THR 474 Ca 0.06 -0.94 -0.02 0.00 0.77 0.00 0.00 66.41 66.27 1hk3 h THR 474 Cb 0.91 1.29 0.00 0.00 -1.74 0.00 0.00 68.15 68.61 1hk3 h THR 474 CO 0.08 0.29 -0.23 0.50 0.37 0.00 0.00 175.52 176.53 1hk3 h LYS 475 N 0.25 -0.63 -0.55 6.66 3.64 -1.12 -2.04 116.57 122.77 1hk3 h LYS 475 Ca 0.05 0.04 0.15 0.00 -1.27 0.00 0.00 60.65 59.62 1hk3 h LYS 475 Cb 0.47 0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.40 1hk3 h LYS 475 CO 0.03 -0.42 0.39 0.00 -2.27 0.00 0.00 179.45 177.18 1hk3 n THR 478 N -3.75 0.00 0.07 0.00 -2.24 -0.77 -4.55 114.28 103.03 1hk3 n THR 478 Ca -0.15 -0.16 -0.04 0.00 -2.27 0.00 0.00 64.05 61.42 1hk3 n THR 478 Cb 1.05 0.70 0.16 0.00 -2.10 0.00 0.00 70.33 70.13 1hk3 n THR 478 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1hk3 h GLU 479 N 0.00 0.31 -1.04 -0.78 4.81 -1.48 -3.45 114.58 112.95 1hk3 h GLU 479 Ca 0.00 -0.17 0.18 0.00 -0.13 0.00 0.00 59.36 59.23 1hk3 h GLU 479 Cb 0.62 0.01 -0.28 0.00 0.63 0.00 0.00 28.75 29.74 1hk3 h GLU 479 CO 0.00 0.73 0.44 0.45 -0.73 0.00 0.00 179.01 179.91 1hk3 s SER 480 N -6.88 -0.35 0.30 1.04 0.15 -1.26 -5.03 113.70 101.65 1hk3 s SER 480 Ca -0.05 0.53 0.01 0.00 0.70 0.00 0.00 55.95 57.14 1hk3 s SER 480 Cb 0.13 1.28 0.47 0.00 -1.71 0.00 0.00 66.02 66.18 1hk3 s SER 480 CO 0.79 -0.08 1.82 0.25 1.20 0.00 0.00 173.24 177.23 1hk3 h LEU 481 N 6.44 0.64 -0.09 3.45 5.85 -1.88 -3.06 115.31 126.65 1hk3 h LEU 481 Ca -0.22 -0.13 -0.22 0.00 0.84 0.00 0.00 57.88 58.16 1hk3 h LEU 481 Cb 1.15 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.00 1hk3 h LEU 481 CO 0.15 0.70 -1.00 0.58 -0.34 0.00 0.00 178.44 178.53 1hk3 h VAL 482 N 0.64 1.59 -0.01 1.05 2.07 -1.96 -3.32 116.25 116.32 1hk3 h VAL 482 Ca 0.13 -3.04 0.00 0.00 0.82 0.00 0.00 66.70 64.61 1hk3 h VAL 482 Cb 0.37 2.72 0.00 0.00 -1.52 0.00 0.00 31.29 32.86 1hk3 h VAL 482 CO 0.01 0.88 -0.17 0.59 0.02 0.00 0.00 177.57 178.90 1hk3 n ASN 483 N -3.50 1.07 -0.23 0.57 5.03 -1.20 -4.57 115.26 112.43 1hk3 n ASN 483 Ca -0.03 -1.02 -0.07 0.00 0.87 0.00 0.00 54.58 54.33 1hk3 n ASN 483 Cb 0.90 0.07 -0.02 0.00 -1.02 0.00 0.00 39.78 39.71 1hk3 n ASN 483 CO 0.00 0.00 0.00 0.03 -1.83 0.00 0.00 177.26 175.46 1hk3 h ARG 484 N 1.42 -0.18 0.53 3.52 3.08 -1.64 0.35 114.38 121.45 1hk3 h ARG 484 Ca 0.00 0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 1hk3 h ARG 484 Cb 0.48 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.56 1hk3 h ARG 484 CO 0.00 -0.12 -0.43 -0.09 -1.07 0.00 0.00 179.97 178.26 1hk3 h ARG 485 N -0.19 -0.90 -0.96 0.04 1.12 -1.88 0.17 114.38 111.78 1hk3 h ARG 485 Ca 0.20 0.06 0.13 0.00 -1.11 0.00 0.00 59.98 59.27 1hk3 h ARG 485 Cb 0.56 0.21 -0.09 0.00 -0.01 0.00 0.00 29.97 30.64 1hk3 h ARG 485 CO -0.72 -0.60 0.58 -1.35 -3.11 0.00 0.00 179.97 174.77 1hk3 h PRO 486 N -0.94 0.85 0.15 0.20 0.11 -1.74 0.62 132.00 131.25 1hk3 h PRO 486 Ca -0.06 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.00 1hk3 h PRO 486 Cb 0.80 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 31.71 1hk3 h PRO 486 CO -0.01 0.57 -0.10 0.00 -0.21 0.00 0.00 178.00 178.25 1hk3 h PHE 488 N -0.25 0.60 -0.13 0.00 0.04 -0.41 -2.48 116.94 114.32 1hk3 h PHE 488 Ca -0.01 -0.04 0.04 0.00 2.80 0.00 0.00 57.97 60.75 1hk3 h PHE 488 Cb 0.21 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.17 1hk3 h PHE 488 CO -0.09 0.53 0.10 0.77 -0.60 0.00 0.00 178.31 179.02 1hk3 h SER 489 N 0.50 0.00 1.18 2.17 0.02 -0.70 -2.31 113.55 114.40 1hk3 h SER 489 Ca 0.13 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.98 1hk3 h SER 489 Cb 0.18 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 1hk3 h SER 489 CO -0.01 0.00 -0.50 0.00 -1.14 0.00 0.00 176.83 175.18 1hk3 h ALA 490 N 1.92 0.77 -2.21 3.77 0.00 -0.62 -3.47 119.26 119.43 1hk3 h ALA 490 Ca 0.06 -0.45 -0.59 0.00 0.00 0.00 0.00 54.91 53.92 1hk3 h ALA 490 Cb 0.26 -0.08 0.10 0.00 0.00 0.00 0.00 17.79 18.06 1hk3 h ALA 490 CO -0.00 0.62 0.42 1.28 0.00 0.00 0.00 179.25 181.57 1hk3 n LEU 491 N -3.36 2.67 -4.98 0.00 4.77 -0.87 -5.01 117.00 110.22 1hk3 n LEU 491 Ca 0.01 1.17 -0.20 0.00 -0.03 0.00 0.00 56.01 56.96 1hk3 n LEU 491 Cb 0.66 -1.38 -0.01 0.00 -2.33 0.00 0.00 43.42 40.36 1hk3 n LEU 491 CO 0.40 -0.83 0.02 -1.61 -1.33 0.00 0.00 177.39 174.04 1hk3 s GLU 492 N -1.06 3.25 0.06 3.23 0.41 -1.26 -4.95 118.70 118.38 1hk3 s GLU 492 Ca 0.63 -0.91 -0.32 0.00 -0.41 0.00 0.00 54.97 53.96 1hk3 s GLU 492 Cb -0.67 -2.85 -0.11 0.00 -1.78 0.00 0.00 34.13 28.72 1hk3 s GLU 492 CO 0.56 0.22 1.83 1.33 -0.49 0.00 0.00 175.26 178.70 1hk3 n VAL 493 N -1.54 0.42 -1.73 2.63 0.24 -1.26 -4.61 118.33 112.48 1hk3 n VAL 493 Ca -0.04 -0.08 -0.37 0.00 -2.04 0.00 0.00 64.34 61.81 1hk3 n VAL 493 Cb 0.58 -2.00 -0.03 0.00 -1.47 0.00 0.00 33.84 30.92 1hk3 n VAL 493 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1hk3 s ASP 494 N 3.04 4.80 0.43 -1.34 -1.08 -0.07 -4.83 116.67 117.62 1hk3 s ASP 494 Ca 0.85 0.88 0.24 0.00 -0.52 0.00 0.00 52.55 54.00 1hk3 s ASP 494 Cb -0.56 -2.51 0.70 0.00 -1.46 0.00 0.00 42.92 39.09 1hk3 s ASP 494 CO 0.42 -2.64 1.73 1.05 0.52 0.00 0.00 175.17 176.25 1hk3 h GLU 495 N 17.67 0.00 0.00 4.34 -0.00 -1.89 -2.85 114.58 131.85 1hk3 h GLU 495 Ca -0.26 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.10 1hk3 h GLU 495 Cb 1.23 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.98 1hk3 h GLU 495 CO 1.17 0.19 0.00 0.25 -0.00 0.00 0.00 179.01 180.61 1hk3 n THR 496 N -3.23 0.00 -2.66 -1.06 -2.24 -1.26 -4.80 114.28 99.02 1hk3 n THR 496 Ca 0.01 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.40 1hk3 n THR 496 Cb 0.49 -0.41 -0.05 0.00 -2.10 0.00 0.00 70.33 68.25 1hk3 n THR 496 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1hk3 s TYR 497 N -2.00 3.82 -0.42 4.78 5.04 -1.08 -5.04 117.35 122.45 1hk3 s TYR 497 Ca 0.26 1.83 -0.11 0.00 -2.44 0.00 0.00 57.07 56.62 1hk3 s TYR 497 Cb 0.12 -3.07 0.07 0.00 0.35 0.00 0.00 41.96 39.42 1hk3 s TYR 497 CO 0.20 0.10 0.27 0.14 -1.34 0.00 0.00 175.55 174.92 1hk3 s VAL 498 N -1.22 4.47 -0.32 3.14 -7.23 -1.26 -5.05 120.40 112.93 1hk3 s VAL 498 Ca 0.43 -1.24 -0.34 0.00 -1.81 0.00 0.00 61.98 59.02 1hk3 s VAL 498 Cb -0.27 -3.68 -0.15 0.00 0.56 0.00 0.00 36.38 32.84 1hk3 s VAL 498 CO 0.34 -0.47 1.13 -2.65 -0.31 0.00 0.00 175.10 173.14 1hk3 n PRO 499 N 4.98 0.00 -2.20 4.82 -0.02 -1.26 -4.84 135.00 136.48 1hk3 n PRO 499 Ca -0.11 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 60.95 1hk3 n PRO 499 Cb 0.44 -1.10 -0.03 0.00 -0.02 0.00 0.00 33.50 32.78 1hk3 n PRO 499 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1hk3 s LYS 500 N 1.94 4.31 0.46 -0.52 2.20 -0.51 -4.95 119.74 122.67 1hk3 s LYS 500 Ca 0.76 2.02 -0.17 0.00 -0.36 0.00 0.00 55.97 58.22 1hk3 s LYS 500 Cb -1.08 -3.41 -0.09 0.00 -1.51 0.00 0.00 37.83 31.74 1hk3 s LYS 500 CO 0.58 -0.50 0.93 -2.00 -0.36 0.00 0.00 175.35 174.01 1hk3 s GLU 501 N 1.72 4.02 0.27 4.03 2.12 -1.26 -4.05 118.70 125.55 1hk3 s GLU 501 Ca 0.64 0.93 -0.30 0.00 0.36 0.00 0.00 54.97 56.61 1hk3 s GLU 501 Cb -0.34 -2.20 -0.13 0.00 0.26 0.00 0.00 34.13 31.72 1hk3 s GLU 501 CO 0.29 -0.14 1.28 0.34 -0.54 0.00 0.00 175.26 176.49 1hk3 n PHE 502 N -1.18 1.95 -0.07 5.30 7.35 -1.26 -4.94 117.46 124.61 1hk3 n PHE 502 Ca 0.06 0.54 -0.13 0.00 -0.76 0.00 0.00 57.45 57.16 1hk3 n PHE 502 Cb 0.54 -2.39 -0.05 0.00 0.35 0.00 0.00 39.48 37.93 1hk3 n PHE 502 CO 0.00 0.00 0.00 -1.71 -0.76 0.00 0.00 176.76 174.29 1hk3 n ASN 503 N 1.62 1.41 0.00 -2.13 4.05 -1.26 -5.01 115.26 113.94 1hk3 n ASN 503 Ca 0.10 0.11 0.00 0.00 0.45 0.00 0.00 54.58 55.24 1hk3 n ASN 503 Cb 0.32 -0.35 0.00 0.00 1.23 0.00 0.00 39.78 40.98 1hk3 n ASN 503 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1hk3 n ALA 504 N -3.43 0.00 0.05 5.20 0.00 -1.26 -4.67 120.51 116.40 1hk3 n ALA 504 Ca -0.25 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.33 1hk3 n ALA 504 Cb 0.70 0.00 0.62 0.00 0.00 0.00 0.00 19.45 20.77 1hk3 n ALA 504 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1hk3 h GLU 505 N 0.00 0.12 0.00 0.00 4.39 -2.00 0.43 114.58 117.52 1hk3 h GLU 505 Ca 0.00 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 1hk3 h GLU 505 Cb 0.00 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.62 1hk3 h GLU 505 CO 0.00 0.08 -0.02 1.15 -1.16 0.00 0.00 179.01 179.06 1hk3 h THR 506 N 0.12 0.82 -0.50 1.13 2.02 -2.01 -2.54 112.91 111.94 1hk3 h THR 506 Ca 0.19 -0.07 -0.17 0.00 0.77 0.00 0.00 66.41 67.13 1hk3 h THR 506 Cb 0.60 1.04 -0.10 0.00 -1.74 0.00 0.00 68.15 67.94 1hk3 h THR 506 CO -0.02 0.02 0.12 0.49 0.37 0.00 0.00 175.52 176.50 1hk3 n PHE 507 N -4.23 1.64 -1.75 3.16 3.01 0.15 -4.99 117.46 114.46 1hk3 n PHE 507 Ca -0.03 -1.31 -0.42 0.00 1.01 0.00 0.00 57.45 56.70 1hk3 n PHE 507 Cb 0.10 -0.55 -0.03 0.00 -0.01 0.00 0.00 39.48 39.00 1hk3 n PHE 507 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 1hk3 s THR 508 N -3.07 2.63 0.61 4.37 2.01 -0.96 -4.91 115.64 116.32 1hk3 s THR 508 Ca 0.48 0.11 -0.19 0.00 0.31 0.00 0.00 61.69 62.41 1hk3 s THR 508 Cb 0.41 -3.07 -0.03 0.00 0.01 0.00 0.00 72.50 69.81 1hk3 s THR 508 CO 0.07 -0.00 1.16 0.33 -0.69 0.00 0.00 174.62 175.49 1hk3 n PHE 509 N 5.73 1.51 -3.66 4.92 7.35 -1.26 -5.03 117.46 127.02 1hk3 n PHE 509 Ca 0.17 0.43 -0.11 0.00 -0.76 0.00 0.00 57.45 57.18 1hk3 n PHE 509 Cb 0.39 -2.23 -0.12 0.00 0.35 0.00 0.00 39.48 37.87 1hk3 n PHE 509 CO 0.00 0.00 0.00 -1.58 -0.76 0.00 0.00 176.76 174.42 1hk3 s HIS 510 N -1.42 -0.59 0.06 -5.13 5.65 -1.26 -5.07 115.29 107.54 1hk3 s HIS 510 Ca 0.78 1.22 -0.09 0.00 0.25 0.00 0.00 55.06 57.22 1hk3 s HIS 510 Cb -0.40 0.12 0.02 0.00 -1.18 0.00 0.00 32.58 31.13 1hk3 s HIS 510 CO 0.45 -0.41 0.53 0.00 -0.65 0.00 0.00 174.74 174.66 1hk3 n ALA 511 N 5.36 -0.15 -0.35 1.58 0.00 -1.26 -0.04 120.51 125.65 1hk3 n ALA 511 Ca -0.07 0.31 0.27 0.00 0.00 0.00 0.00 53.44 53.96 1hk3 n ALA 511 Cb 0.50 -0.09 0.57 0.00 0.00 0.00 0.00 19.45 20.43 1hk3 n ALA 511 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1hk3 h ASP 512 N 0.00 0.35 -1.26 0.00 3.32 -1.97 -2.32 116.42 114.54 1hk3 h ASP 512 Ca 0.08 0.08 0.36 0.00 0.02 0.00 0.00 57.03 57.58 1hk3 h ASP 512 Cb 0.17 0.04 -0.05 0.00 0.22 0.00 0.00 39.33 39.70 1hk3 h ASP 512 CO -0.33 0.02 0.92 -0.29 -1.72 0.00 0.00 179.24 177.83 1hk3 h ILE 513 N 0.28 0.35 0.00 0.35 6.09 -0.89 0.89 117.51 124.57 1hk3 h ILE 513 Ca 0.64 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 64.13 1hk3 h ILE 513 Cb 1.84 0.36 0.00 0.00 0.47 0.00 0.00 36.82 39.48 1hk3 h ILE 513 CO -0.29 0.00 -0.63 0.00 -3.07 0.00 0.00 178.15 174.16 1hk3 n THR 515 N -1.97 2.63 -4.10 0.00 -1.04 0.30 -5.05 114.28 105.05 1hk3 n THR 515 Ca 0.04 -5.25 -0.29 0.00 -2.04 0.00 0.00 64.05 56.50 1hk3 n THR 515 Cb 0.42 -1.24 -0.07 0.00 -1.82 0.00 0.00 70.33 67.61 1hk3 n THR 515 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1hk3 s LEU 516 N -3.44 3.61 1.04 -4.42 1.43 -1.22 -5.00 118.68 110.68 1hk3 s LEU 516 Ca 0.48 -0.14 -0.16 0.00 -1.03 0.00 0.00 54.13 53.28 1hk3 s LEU 516 Cb 0.33 -2.30 0.22 0.00 0.03 0.00 0.00 46.19 44.47 1hk3 s LEU 516 CO -0.15 0.15 1.18 -0.94 0.23 0.00 0.00 176.35 176.82 1hk3 s SER 517 N -2.51 2.34 0.19 2.29 1.04 -1.26 -4.77 113.70 111.02 1hk3 s SER 517 Ca 0.28 0.65 -0.09 0.00 0.48 0.00 0.00 55.95 57.26 1hk3 s SER 517 Cb -0.11 -0.95 0.11 0.00 0.10 0.00 0.00 66.02 65.16 1hk3 s SER 517 CO 0.20 -3.25 1.73 -0.08 0.98 0.00 0.00 173.24 172.82 1hk3 h GLU 518 N -1.98 1.07 0.13 4.02 4.57 -1.99 -1.19 114.58 119.20 1hk3 h GLU 518 Ca -0.47 -0.22 -0.01 0.00 -1.18 0.00 0.00 59.36 57.48 1hk3 h GLU 518 Cb 1.29 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.72 1hk3 h GLU 518 CO 0.44 0.91 -0.06 0.87 -1.18 0.00 0.00 179.01 179.99 1hk3 h LYS 519 N 1.01 -0.17 -0.53 1.92 6.56 -1.99 -1.44 116.57 121.92 1hk3 h LYS 519 Ca 0.23 0.01 0.07 0.00 -1.06 0.00 0.00 60.65 59.90 1hk3 h LYS 519 Cb 0.28 0.04 -0.06 0.00 -0.57 0.00 0.00 32.23 31.92 1hk3 h LYS 519 CO -0.01 -0.03 0.21 0.93 -2.06 0.00 0.00 179.45 178.49 1hk3 h GLU 520 N -0.28 0.40 -0.64 3.15 4.39 -1.90 -0.99 114.58 118.71 1hk3 h GLU 520 Ca -0.02 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1hk3 h GLU 520 Cb 0.22 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.75 1hk3 h GLU 520 CO 0.03 0.26 0.40 -0.09 -1.16 0.00 0.00 179.01 178.46 1hk3 h ARG 521 N 0.41 0.86 -0.62 2.33 2.43 -1.08 -0.25 114.38 118.46 1hk3 h ARG 521 Ca 0.25 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.34 1hk3 h ARG 521 Cb 0.25 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.59 1hk3 h ARG 521 CO -0.24 0.59 0.32 1.96 -1.51 0.00 0.00 179.97 181.10 1hk3 h GLN 522 N 0.87 0.87 -0.05 0.20 4.20 -0.46 -0.06 115.11 120.68 1hk3 h GLN 522 Ca 0.23 -0.10 -0.02 0.00 0.06 0.00 0.00 58.65 58.82 1hk3 h GLN 522 Cb -0.06 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 27.55 1hk3 h GLN 522 CO -0.05 0.65 -0.04 0.82 -0.67 0.00 0.00 178.83 179.54 1hk3 h ILE 523 N 0.87 1.37 -0.57 2.54 5.03 -0.62 -0.78 117.51 125.36 1hk3 h ILE 523 Ca 0.22 -1.18 0.08 0.00 -0.12 0.00 0.00 64.86 63.86 1hk3 h ILE 523 Cb 0.06 2.06 -0.06 0.00 -3.03 0.00 0.00 36.82 35.85 1hk3 h ILE 523 CO -0.03 0.32 0.23 0.11 -0.68 0.00 0.00 178.15 178.10 1hk3 h LYS 524 N -0.33 0.41 -0.34 2.37 1.79 -0.79 0.14 116.57 119.82 1hk3 h LYS 524 Ca 0.01 -0.02 -0.09 0.00 -2.18 0.00 0.00 60.65 58.36 1hk3 h LYS 524 Cb 0.54 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 31.08 1hk3 h LYS 524 CO 0.01 0.27 -0.16 -0.22 -1.08 0.00 0.00 179.45 178.28 1hk3 h LYS 525 N 0.43 0.62 -0.04 3.15 3.64 -0.98 -1.56 116.57 121.83 1hk3 h LYS 525 Ca 0.27 -0.21 -0.18 0.00 -1.27 0.00 0.00 60.65 59.26 1hk3 h LYS 525 Cb 0.29 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1hk3 h LYS 525 CO -0.26 0.75 -0.77 1.96 -2.27 0.00 0.00 179.45 178.86 1hk3 h GLN 526 N 0.56 0.31 -0.41 1.90 4.20 -0.19 -1.23 115.11 120.26 1hk3 h GLN 526 Ca 0.09 -0.27 0.02 0.00 0.06 0.00 0.00 58.65 58.55 1hk3 h GLN 526 Cb 0.59 0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.41 1hk3 h GLN 526 CO 0.04 0.94 0.24 1.15 -0.67 0.00 0.00 178.83 180.53 1hk3 h THR 527 N 0.20 1.04 -0.28 -0.54 2.02 -0.43 -1.23 112.91 113.69 1hk3 h THR 527 Ca -0.03 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 66.98 1hk3 h THR 527 Cb 1.35 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 68.27 1hk3 h THR 527 CO 0.13 0.09 0.18 0.00 0.37 0.00 0.00 175.52 176.28 1hk3 h ALA 528 N 1.18 0.36 -0.11 6.16 0.00 -1.14 -2.10 119.26 123.61 1hk3 h ALA 528 Ca 0.16 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.07 1hk3 h ALA 528 Cb 0.01 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1hk3 h ALA 528 CO -0.07 -0.15 0.11 1.25 0.00 0.00 0.00 179.25 180.38 1hk3 h LEU 529 N 0.37 0.00 0.10 0.00 5.85 -0.46 -1.01 115.31 120.16 1hk3 h LEU 529 Ca 0.10 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 58.62 1hk3 h LEU 529 Cb -0.01 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.04 1hk3 h LEU 529 CO -0.02 0.00 -0.87 0.58 -0.34 0.00 0.00 178.44 177.79 1hk3 h VAL 530 N 0.00 1.43 -0.87 1.05 2.07 -0.60 -2.97 116.25 116.36 1hk3 h VAL 530 Ca 0.05 -2.39 0.03 0.00 0.82 0.00 0.00 66.70 65.21 1hk3 h VAL 530 Cb 0.27 2.91 -0.05 0.00 -1.52 0.00 0.00 31.29 32.90 1hk3 h VAL 530 CO -0.00 0.69 0.57 -0.33 0.02 0.00 0.00 177.57 178.53 1hk3 h GLU 531 N -0.14 1.06 0.61 1.57 4.39 -0.85 -0.66 114.58 120.56 1hk3 h GLU 531 Ca -0.14 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.47 1hk3 h GLU 531 Cb 1.63 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 30.03 1hk3 h GLU 531 CO 0.17 0.70 -0.42 1.25 -1.16 0.00 0.00 179.01 179.55 1hk3 h LEU 532 N 1.09 -1.09 -1.10 1.33 6.46 -1.25 -1.99 115.31 118.77 1hk3 h LEU 532 Ca 0.34 0.07 0.15 0.00 -0.12 0.00 0.00 57.88 58.32 1hk3 h LEU 532 Cb 0.01 0.33 -0.09 0.00 -0.73 0.00 0.00 40.66 40.18 1hk3 h LEU 532 CO -0.10 -0.62 0.61 0.58 -0.62 0.00 0.00 178.44 178.29 1hk3 h VAL 533 N -0.98 0.82 -0.20 1.05 2.07 -1.32 -0.14 116.25 117.54 1hk3 h VAL 533 Ca -0.08 -0.28 -0.05 0.00 0.82 0.00 0.00 66.70 67.11 1hk3 h VAL 533 Cb 0.80 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 1hk3 h VAL 533 CO 0.05 0.15 -0.09 0.11 0.02 0.00 0.00 177.57 177.81 1hk3 h LYS 534 N 0.82 0.31 0.14 1.57 1.57 -0.86 -2.53 116.57 117.58 1hk3 h LYS 534 Ca 0.51 -0.07 -0.24 0.00 -1.87 0.00 0.00 60.65 58.99 1hk3 h LYS 534 Cb 0.71 -0.04 0.03 0.00 0.08 0.00 0.00 32.23 33.01 1hk3 h LYS 534 CO -0.29 0.41 -1.03 1.25 -0.57 0.00 0.00 179.45 179.23 1hk3 h HIS 535 N 0.29 0.76 -2.29 -1.35 2.76 -0.34 -1.35 115.15 113.64 1hk3 h HIS 535 Ca 0.06 -0.52 -0.59 0.00 -2.20 0.00 0.00 60.37 57.13 1hk3 h HIS 535 Cb 0.35 -0.05 -0.41 0.00 1.55 0.00 0.00 27.41 28.85 1hk3 h HIS 535 CO 0.01 1.38 -0.77 1.63 -1.30 0.00 0.00 177.93 178.88 1hk3 n LYS 536 N -3.98 1.70 -0.18 5.26 4.01 -0.25 -4.33 118.16 120.39 1hk3 n LYS 536 Ca -0.14 -4.10 0.24 0.00 -0.51 0.00 0.00 58.31 53.80 1hk3 n LYS 536 Cb 0.90 -1.92 0.64 0.00 -0.51 0.00 0.00 35.03 34.14 1hk3 n LYS 536 CO 0.00 0.00 0.00 -1.35 -1.11 0.00 0.00 177.40 174.94 1hk3 h PRO 537 N 4.45 0.15 -0.53 1.97 0.11 -1.68 -1.09 132.00 135.38 1hk3 h PRO 537 Ca 0.16 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1hk3 h PRO 537 Cb 0.76 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.84 1hk3 h PRO 537 CO 0.67 0.10 0.00 1.63 -0.21 0.00 0.00 178.00 180.19 1hk3 n LYS 538 N -4.38 2.15 -1.86 1.05 4.01 -1.26 -4.94 118.16 112.93 1hk3 n LYS 538 Ca 0.18 -1.25 -0.33 0.00 -0.51 0.00 0.00 58.31 56.40 1hk3 n LYS 538 Cb 0.82 -1.50 0.03 0.00 -0.51 0.00 0.00 35.03 33.88 1hk3 n LYS 538 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1hk3 s ALA 539 N -1.65 2.57 0.08 7.82 0.00 -0.41 -5.05 121.76 125.11 1hk3 s ALA 539 Ca 0.22 0.50 0.02 0.00 0.00 0.00 0.00 51.96 52.71 1hk3 s ALA 539 Cb 0.14 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 19.93 1hk3 s ALA 539 CO 0.11 -1.11 0.11 0.99 0.00 0.00 0.00 175.76 175.86 1hk3 s THR 540 N -2.36 4.71 0.28 0.00 2.01 -1.26 -4.97 115.64 114.04 1hk3 s THR 540 Ca 0.66 -0.70 -0.03 0.00 0.31 0.00 0.00 61.69 61.92 1hk3 s THR 540 Cb -0.19 -3.28 0.38 0.00 0.01 0.00 0.00 72.50 69.42 1hk3 s THR 540 CO 0.40 0.12 1.59 0.07 -0.69 0.00 0.00 174.62 176.10 1hk3 h LYS 541 N 3.21 0.04 -0.02 4.92 2.10 -1.99 -0.73 116.57 124.09 1hk3 h LYS 541 Ca -0.46 -0.00 0.02 0.00 -2.00 0.00 0.00 60.65 58.21 1hk3 h LYS 541 Cb 1.16 -0.01 -0.03 0.00 -0.90 0.00 0.00 32.23 32.46 1hk3 h LYS 541 CO 0.68 0.02 -0.11 0.93 -2.00 0.00 0.00 179.45 178.97 1hk3 h GLU 542 N 0.04 -0.17 0.00 0.07 3.07 -2.00 -1.67 114.58 113.92 1hk3 h GLU 542 Ca 0.51 0.01 -0.08 0.00 -0.50 0.00 0.00 59.36 59.31 1hk3 h GLU 542 Cb 0.96 0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.89 1hk3 h GLU 542 CO -0.86 -0.12 -0.37 -0.56 -1.40 0.00 0.00 179.01 175.71 1hk3 h GLN 543 N -0.18 0.00 -0.25 2.33 3.07 -1.61 -2.07 115.11 116.40 1hk3 h GLN 543 Ca 0.05 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.73 1hk3 h GLN 543 Cb 0.24 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.79 1hk3 h GLN 543 CO -0.13 0.37 -0.05 -0.07 0.09 0.00 0.00 178.83 179.05 1hk3 h LEU 544 N 0.00 0.48 -0.75 0.06 3.38 -0.98 -1.64 115.31 115.86 1hk3 h LEU 544 Ca -0.00 -0.35 0.14 0.00 0.09 0.00 0.00 57.88 57.75 1hk3 h LEU 544 Cb 0.92 -0.13 -0.10 0.00 0.09 0.00 0.00 40.66 41.45 1hk3 h LEU 544 CO 0.05 0.72 0.29 0.11 0.09 0.00 0.00 178.44 179.71 1hk3 h LYS 545 N 0.23 0.42 0.11 1.13 1.79 -0.96 0.24 116.57 119.54 1hk3 h LYS 545 Ca 0.07 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.50 1hk3 h LYS 545 Cb 0.51 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.06 1hk3 h LYS 545 CO 0.02 0.28 -0.05 0.00 -1.08 0.00 0.00 179.45 178.62 1hk3 h ALA 546 N 1.55 -0.15 -0.47 3.86 0.00 -1.02 -0.04 119.26 122.99 1hk3 h ALA 546 Ca 0.41 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.17 1hk3 h ALA 546 Cb 0.63 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1hk3 h ALA 546 CO -0.41 -0.51 0.07 0.28 0.00 0.00 0.00 179.25 178.69 1hk3 h VAL 547 N -0.31 1.22 0.62 0.00 2.07 -0.69 -1.30 116.25 117.86 1hk3 h VAL 547 Ca -0.02 -0.82 -0.03 0.00 0.82 0.00 0.00 66.70 66.65 1hk3 h VAL 547 Cb 0.25 0.78 0.01 0.00 -1.52 0.00 0.00 31.29 30.81 1hk3 h VAL 547 CO 0.03 0.30 -0.30 0.24 0.02 0.00 0.00 177.57 177.85 1hk3 h MET 548 N 0.70 -0.80 -0.58 1.57 2.86 -0.85 -2.47 114.93 115.36 1hk3 h MET 548 Ca 0.15 0.05 0.11 0.00 -2.06 0.00 0.00 59.70 57.95 1hk3 h MET 548 Cb 0.32 0.18 -0.11 0.00 0.06 0.00 0.00 31.60 32.05 1hk3 h MET 548 CO 0.00 -0.54 -0.31 -0.44 1.06 0.00 0.00 176.91 176.69 1hk3 h ASP 549 N -0.89 -1.07 -0.11 1.22 5.19 -0.86 0.36 116.42 120.25 1hk3 h ASP 549 Ca -0.09 0.22 0.04 0.00 -0.62 0.00 0.00 57.03 56.59 1hk3 h ASP 549 Cb 0.64 0.54 -0.05 0.00 0.18 0.00 0.00 39.33 40.65 1hk3 h ASP 549 CO 0.14 -0.29 -0.19 0.44 -3.12 0.00 0.00 179.24 176.22 1hk3 h ASP 550 N -0.15 -0.58 -0.25 6.45 5.19 -1.29 0.83 116.42 126.62 1hk3 h ASP 550 Ca 0.24 0.10 -0.02 0.00 -0.62 0.00 0.00 57.03 56.72 1hk3 h ASP 550 Cb 0.54 0.26 -0.02 0.00 0.18 0.00 0.00 39.33 40.30 1hk3 h ASP 550 CO -0.67 -0.24 0.10 0.15 -3.12 0.00 0.00 179.24 175.46 1hk3 h PHE 551 N -0.25 0.45 -0.25 4.55 3.04 -0.84 -0.37 116.94 123.26 1hk3 h PHE 551 Ca 0.09 -0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.00 1hk3 h PHE 551 Cb 0.38 -0.14 -0.01 0.00 2.56 0.00 0.00 35.95 38.74 1hk3 h PHE 551 CO -0.29 0.38 0.07 0.00 -2.02 0.00 0.00 178.31 176.45 1hk3 h ALA 552 N 1.66 0.33 -0.27 2.41 0.00 0.88 -1.24 119.26 123.04 1hk3 h ALA 552 Ca 0.11 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1hk3 h ALA 552 Cb 0.14 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1hk3 h ALA 552 CO -0.01 -0.02 0.02 0.00 0.00 0.00 0.00 179.25 179.25 1hk3 h ALA 553 N 0.89 1.54 -0.02 0.00 0.00 -0.27 -1.70 119.26 119.70 1hk3 h ALA 553 Ca 0.08 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1hk3 h ALA 553 Cb 0.27 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1hk3 h ALA 553 CO -0.00 0.34 0.01 0.35 0.00 0.00 0.00 179.25 179.95 1hk3 h PHE 554 N 0.39 0.03 -0.33 0.00 3.57 -0.52 -1.26 116.94 118.82 1hk3 h PHE 554 Ca 0.09 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.51 1hk3 h PHE 554 Cb 0.22 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.94 1hk3 h PHE 554 CO 0.01 0.12 -0.13 -0.24 -2.23 0.00 0.00 178.31 175.84 1hk3 h VAL 555 N -0.07 1.24 -0.32 1.41 3.04 -0.87 -1.85 116.25 118.85 1hk3 h VAL 555 Ca 0.01 -1.09 -0.14 0.00 -1.01 0.00 0.00 66.70 64.47 1hk3 h VAL 555 Cb 0.10 1.13 -0.01 0.00 -2.01 0.00 0.00 31.29 30.50 1hk3 h VAL 555 CO -0.00 0.36 -0.38 -0.33 -1.01 0.00 0.00 177.57 176.21 1hk3 h GLU 556 N 0.53 0.75 0.06 4.17 3.07 -1.15 -2.26 114.58 119.76 1hk3 h GLU 556 Ca 0.09 -0.38 -0.00 0.00 -0.50 0.00 0.00 59.36 58.57 1hk3 h GLU 556 Cb 0.54 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.45 1hk3 h GLU 556 CO 0.03 1.00 -0.03 0.87 -1.40 0.00 0.00 179.01 179.48 1hk3 h LYS 557 N 0.62 -0.08 0.00 2.33 1.79 -1.04 -2.77 116.57 117.42 1hk3 h LYS 557 Ca 0.05 0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.53 1hk3 h LYS 557 Cb 0.92 0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 31.59 1hk3 h LYS 557 CO 0.08 0.37 -0.00 0.00 -1.08 0.00 0.00 179.45 178.82 1hk3 n LYS 560 N -3.25 0.05 0.00 0.00 5.02 0.68 -4.84 118.16 115.82 1hk3 n LYS 560 Ca 0.01 0.52 0.00 0.00 -2.02 0.00 0.00 58.31 56.81 1hk3 n LYS 560 Cb 0.81 -1.73 0.00 0.00 -0.02 0.00 0.00 35.03 34.09 1hk3 n LYS 560 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1hk3 n ALA 561 N -1.56 0.00 0.00 7.82 0.00 -1.00 -5.03 120.51 120.74 1hk3 n ALA 561 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1hk3 n ALA 561 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.53 1hk3 n ALA 561 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1hk3 n ASP 562 N -1.26 0.00 -3.09 0.00 9.92 -1.26 -4.60 116.55 116.26 1hk3 n ASP 562 Ca 0.00 0.00 -0.24 0.00 -0.53 0.00 0.00 54.79 54.02 1hk3 n ASP 562 Cb 0.00 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.44 1hk3 n ASP 562 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1hk3 n ASP 563 N 0.00 2.91 -0.00 -2.24 -0.08 -1.26 -5.00 116.55 110.88 1hk3 n ASP 563 Ca 0.00 -3.37 -0.00 0.00 -1.51 0.00 0.00 54.79 49.91 1hk3 n ASP 563 Cb 0.00 -0.60 -0.00 0.00 2.34 0.00 0.00 41.12 42.86 1hk3 n ASP 563 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1hk3 n LYS 564 N 0.15 -0.00 -0.32 -0.67 5.02 -1.26 0.51 118.16 121.59 1hk3 n LYS 564 Ca 0.28 0.07 0.25 0.00 -2.02 0.00 0.00 58.31 56.90 1hk3 n LYS 564 Cb 0.49 -0.11 0.47 0.00 -0.02 0.00 0.00 35.03 35.86 1hk3 n LYS 564 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1hk3 n GLU 565 N -2.14 -0.07 0.02 1.97 1.02 -1.26 0.66 120.64 120.84 1hk3 n GLU 565 Ca 0.00 1.39 -0.13 0.00 -0.02 0.00 0.00 57.16 58.40 1hk3 n GLU 565 Cb 0.00 -2.38 -0.09 0.00 -0.02 0.00 0.00 31.44 28.95 1hk3 n GLU 565 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 1hk3 h THR 566 N 0.00 1.22 0.01 2.62 2.02 -0.35 0.85 112.91 119.28 1hk3 h THR 566 Ca 0.74 -0.75 0.01 0.00 0.77 0.00 0.00 66.41 67.18 1hk3 h THR 566 Cb 1.84 1.72 -0.02 0.00 -1.74 0.00 0.00 68.15 69.95 1hk3 h THR 566 CO -0.81 0.19 -0.22 0.00 0.37 0.00 0.00 175.52 175.05 1hk3 h PHE 568 N -0.29 0.67 0.22 0.00 -1.00 -0.82 0.30 116.94 116.02 1hk3 h PHE 568 Ca 0.00 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.80 1hk3 h PHE 568 Cb 0.30 -0.20 0.00 0.00 3.61 0.00 0.00 35.95 39.67 1hk3 h PHE 568 CO -0.42 0.29 -0.10 0.00 -1.61 0.00 0.00 178.31 176.47 1hk3 h ALA 569 N 1.38 -0.29 0.27 2.45 0.00 0.13 0.27 119.26 123.47 1hk3 h ALA 569 Ca 0.32 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1hk3 h ALA 569 Cb 0.25 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1hk3 h ALA 569 CO -0.21 -0.43 -0.14 1.05 0.00 0.00 0.00 179.25 179.51 1hk3 h GLU 570 N -0.76 -0.37 -0.45 0.00 4.11 0.57 0.16 114.58 117.85 1hk3 h GLU 570 Ca -0.03 0.03 -0.02 0.00 0.07 0.00 0.00 59.36 59.41 1hk3 h GLU 570 Cb 0.50 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 1hk3 h GLU 570 CO 0.05 -0.25 0.20 1.05 0.07 0.00 0.00 179.01 180.13 1hk3 h GLU 571 N -0.38 0.63 0.45 1.06 4.11 -0.49 -2.74 114.58 117.21 1hk3 h GLU 571 Ca -0.04 -0.08 -0.02 0.00 0.07 0.00 0.00 59.36 59.29 1hk3 h GLU 571 Cb 0.30 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1hk3 h GLU 571 CO 0.05 0.51 -0.21 0.78 0.07 0.00 0.00 179.01 180.20 1hk3 h GLY 572 N 0.76 -0.63 -0.08 1.06 0.00 -0.42 -1.59 103.07 102.16 1hk3 h GLY 572 Ca 0.16 0.23 0.26 0.00 0.00 0.00 0.00 47.33 47.98 1hk3 h GLY 572 CO -0.02 -0.23 0.66 0.50 0.00 0.00 0.00 176.54 177.45 1hk3 h LYS 573 N -0.78 0.39 -0.36 4.80 1.57 -0.54 0.16 116.57 121.81 1hk3 h LYS 573 Ca -0.06 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.66 1hk3 h LYS 573 Cb 0.54 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 1hk3 h LYS 573 CO 0.10 0.26 0.08 1.57 -0.57 0.00 0.00 179.45 180.89 1hk3 h LYS 574 N 0.40 0.58 0.00 3.15 2.10 -1.16 -3.51 116.57 118.12 1hk3 h LYS 574 Ca 0.58 -0.15 0.00 0.00 -2.00 0.00 0.00 60.65 59.09 1hk3 h LYS 574 Cb 1.46 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 32.72 1hk3 h LYS 574 CO -0.28 0.63 0.00 -0.11 -2.00 0.00 0.00 179.45 177.69