#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hw9 n PHE 1 N 0.00 1.15 -2.67 -1.40 7.35 -1.26 -5.02 117.46 115.60 2hw9 n PHE 1 Ca 0.00 -1.68 -0.43 0.00 -0.76 0.00 0.00 57.45 54.59 2hw9 n PHE 1 Cb 0.00 -0.25 -0.02 0.00 0.35 0.00 0.00 39.48 39.56 2hw9 n PHE 1 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 2hw9 s ASN 2 N -3.25 7.20 0.14 -2.13 0.01 -1.26 -5.03 114.94 110.62 2hw9 s ASN 2 Ca 0.37 1.49 0.06 0.00 -0.71 0.00 0.00 52.86 54.08 2hw9 s ASN 2 Cb 0.37 -2.55 -0.04 0.00 0.41 0.00 0.00 41.25 39.44 2hw9 s ASN 2 CO -0.05 -0.51 0.01 -0.76 -1.51 0.00 0.00 177.10 174.27 2hw9 s LEU 3 N 2.36 3.41 0.66 0.60 1.43 -1.26 -1.07 118.68 124.81 2hw9 s LEU 3 Ca 0.47 -0.29 -0.14 0.00 -1.03 0.00 0.00 54.13 53.15 2hw9 s LEU 3 Cb -0.17 -2.09 -0.00 0.00 0.03 0.00 0.00 46.19 43.95 2hw9 s LEU 3 CO 0.15 0.12 1.08 -2.84 0.23 0.00 0.00 176.35 175.09 2hw9 s PRO 4 N -2.70 2.94 0.25 1.29 0.02 -1.26 -4.57 135.00 130.98 2hw9 s PRO 4 Ca 0.27 1.21 0.26 0.00 0.02 0.00 0.00 61.00 62.75 2hw9 s PRO 4 Cb -0.10 -1.98 0.85 0.00 0.02 0.00 0.00 34.50 33.28 2hw9 s PRO 4 CO 0.19 -1.11 1.76 -1.00 -0.33 0.00 0.00 177.00 176.50 2hw9 h PRO 5 N -0.12 0.00 0.00 5.54 0.13 -1.99 -3.47 132.00 132.09 2hw9 h PRO 5 Ca -0.46 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.37 2hw9 h PRO 5 Cb 1.23 0.00 0.15 0.00 0.13 0.00 0.00 31.00 32.50 2hw9 h PRO 5 CO 0.55 0.00 0.12 0.41 -0.23 0.00 0.00 178.00 178.85 2hw9 n GLY 6 N 0.88 -2.54 3.24 1.56 0.00 -1.26 -5.10 105.19 101.97 2hw9 n GLY 6 Ca 0.04 -1.51 -0.21 0.00 0.00 0.00 0.00 46.02 44.34 2hw9 n GLY 6 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2hw9 n ASN 7 N -4.33 -0.02 -0.86 1.61 0.23 -1.26 -5.07 115.26 105.56 2hw9 n ASN 7 Ca 0.12 -3.17 0.04 0.00 -0.53 0.00 0.00 54.58 51.04 2hw9 n ASN 7 Cb 0.45 1.44 0.22 0.00 -2.08 0.00 0.00 39.78 39.80 2hw9 n ASN 7 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 2hw9 n TYR 8 N -0.73 0.83 0.01 -2.53 4.01 -1.26 -4.70 117.16 112.80 2hw9 n TYR 8 Ca 0.03 -1.17 0.03 0.00 -0.16 0.00 0.00 57.90 56.63 2hw9 n TYR 8 Cb 0.60 -0.35 0.40 0.00 -0.31 0.00 0.00 39.34 39.68 2hw9 n TYR 8 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 2hw9 h LYS 9 N 1.23 0.50 -5.52 -0.72 1.57 -1.98 -3.45 116.57 108.20 2hw9 h LYS 9 Ca 0.08 -0.05 -0.49 0.00 -1.87 0.00 0.00 60.65 58.32 2hw9 h LYS 9 Cb 1.45 -0.10 -0.14 0.00 0.08 0.00 0.00 32.23 33.51 2hw9 h LYS 9 CO 0.24 0.39 -0.68 0.15 -0.57 0.00 0.00 179.45 178.99 2hw9 s LYS 10 N -5.31 1.53 0.95 3.15 1.02 -1.26 -5.14 119.74 114.67 2hw9 s LYS 10 Ca -0.08 -1.77 -0.12 0.00 0.02 0.00 0.00 55.97 54.02 2hw9 s LYS 10 Cb 0.17 -1.16 0.16 0.00 -0.52 0.00 0.00 37.83 36.48 2hw9 s LYS 10 CO 0.74 0.05 1.12 -1.25 -0.92 0.00 0.00 175.35 175.09 2hw9 s PRO 11 N -3.72 0.85 0.33 -1.68 0.04 -1.26 -4.72 135.00 124.83 2hw9 s PRO 11 Ca 0.29 0.39 -0.10 0.00 0.04 0.00 0.00 61.00 61.61 2hw9 s PRO 11 Cb 0.03 -1.80 0.02 0.00 0.04 0.00 0.00 34.50 32.79 2hw9 s PRO 11 CO 0.11 -2.42 0.59 0.00 0.04 0.00 0.00 177.00 175.33 2hw9 s LEU 13 N -3.11 3.06 -0.43 0.00 1.43 0.23 -0.73 118.68 119.13 2hw9 s LEU 13 Ca 0.23 -0.32 -0.08 0.00 -1.03 0.00 0.00 54.13 52.93 2hw9 s LEU 13 Cb -0.02 -1.83 0.10 0.00 0.03 0.00 0.00 46.19 44.46 2hw9 s LEU 13 CO 0.14 0.21 0.27 -0.76 0.23 0.00 0.00 176.35 176.44 2hw9 s LEU 14 N -1.97 5.31 -0.18 1.79 1.43 -1.26 -0.64 118.68 123.15 2hw9 s LEU 14 Ca 0.20 -1.71 -0.21 0.00 -1.03 0.00 0.00 54.13 51.38 2hw9 s LEU 14 Cb -0.11 -1.96 -0.03 0.00 0.03 0.00 0.00 46.19 44.12 2hw9 s LEU 14 CO 0.12 -0.58 0.64 -0.47 0.23 0.00 0.00 176.35 176.29 2hw9 s TYR 15 N 1.35 3.40 -0.21 0.29 5.04 -0.42 -1.29 117.35 125.51 2hw9 s TYR 15 Ca 0.04 0.98 -0.17 0.00 -2.44 0.00 0.00 57.07 55.47 2hw9 s TYR 15 Cb -0.24 -2.81 -0.03 0.00 0.35 0.00 0.00 41.96 39.23 2hw9 s TYR 15 CO 0.00 -0.15 0.48 0.00 -1.34 0.00 0.00 175.55 174.54 2hw9 h SER 17 N 7.57 0.00 0.24 0.00 4.64 -1.48 0.13 113.55 124.65 2hw9 h SER 17 Ca -0.33 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.97 2hw9 h SER 17 Cb 1.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 2hw9 h SER 17 CO 0.72 0.00 -0.11 -1.13 -0.87 0.00 0.00 176.83 175.44 2hw9 h ASN 18 N 0.00 -0.27 0.00 4.97 -1.24 -1.78 -3.36 115.58 113.91 2hw9 h ASN 18 Ca 0.00 -0.09 0.00 0.00 0.71 0.00 0.00 56.30 56.92 2hw9 h ASN 18 Cb 0.46 0.07 0.00 0.00 0.73 0.00 0.00 38.32 39.58 2hw9 h ASN 18 CO 0.00 -0.07 0.00 0.61 -1.29 0.00 0.00 177.43 176.68 2hw9 n GLY 19 N -0.84 -0.89 1.81 1.57 0.00 -1.24 -4.79 105.19 100.81 2hw9 n GLY 19 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2hw9 n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hw9 n GLY 20 N 0.24 0.49 3.87 -0.02 0.00 0.45 -5.01 105.19 105.21 2hw9 n GLY 20 Ca 0.00 -0.54 -0.31 0.00 0.00 0.00 0.00 46.02 45.17 2hw9 n GLY 20 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2hw9 s HIS 21 N -2.00 3.44 -0.08 1.61 3.76 -1.20 -4.69 115.29 116.13 2hw9 s HIS 21 Ca 0.00 1.01 -0.11 0.00 -0.15 0.00 0.00 55.06 55.80 2hw9 s HIS 21 Cb 0.00 -2.39 -0.05 0.00 1.11 0.00 0.00 32.58 31.25 2hw9 s HIS 21 CO 0.00 0.03 0.27 -0.06 -0.85 0.00 0.00 174.74 174.13 2hw9 s PHE 22 N -2.17 3.63 0.22 1.40 0.08 0.32 -0.10 117.98 121.36 2hw9 s PHE 22 Ca 0.50 0.73 -0.30 0.00 0.12 0.00 0.00 56.93 57.98 2hw9 s PHE 22 Cb -0.10 -2.15 -0.09 0.00 -0.57 0.00 0.00 43.02 40.10 2hw9 s PHE 22 CO 0.26 0.61 1.35 -1.17 -0.10 0.00 0.00 175.22 176.18 2hw9 s LEU 23 N -0.77 4.41 -0.03 -0.37 2.96 -0.41 -1.44 118.68 123.02 2hw9 s LEU 23 Ca 0.19 2.49 0.04 0.00 -0.22 0.00 0.00 54.13 56.62 2hw9 s LEU 23 Cb -0.14 -3.61 -0.00 0.00 0.50 0.00 0.00 46.19 42.93 2hw9 s LEU 23 CO 0.08 -0.59 -0.13 -0.60 -1.32 0.00 0.00 176.35 173.79 2hw9 s ARG 24 N -0.21 1.38 -0.32 1.98 3.52 0.50 -4.47 118.95 121.33 2hw9 s ARG 24 Ca 0.58 -0.47 0.02 0.00 -0.13 0.00 0.00 55.73 55.73 2hw9 s ARG 24 Cb -0.38 -1.24 0.09 0.00 -1.56 0.00 0.00 34.95 31.86 2hw9 s ARG 24 CO 0.40 0.19 0.02 0.42 -0.81 0.00 0.00 175.30 175.52 2hw9 s ILE 25 N 0.08 2.42 0.70 4.11 1.01 -0.89 -1.83 121.20 126.80 2hw9 s ILE 25 Ca -0.03 -2.04 -0.11 0.00 0.00 0.00 0.00 60.65 58.48 2hw9 s ILE 25 Cb -0.10 -2.64 0.01 0.00 0.01 0.00 0.00 42.46 39.74 2hw9 s ILE 25 CO 0.01 -0.41 1.06 -0.76 0.00 0.00 0.00 174.94 174.85 2hw9 s LEU 26 N 1.01 3.10 0.41 2.97 1.43 0.40 -4.82 118.68 123.18 2hw9 s LEU 26 Ca 0.04 1.60 0.13 0.00 -1.03 0.00 0.00 54.13 54.87 2hw9 s LEU 26 Cb -0.20 -4.46 0.98 0.00 0.03 0.00 0.00 46.19 42.55 2hw9 s LEU 26 CO -0.06 -1.48 1.94 -0.65 0.23 0.00 0.00 176.35 176.32 2hw9 h PRO 27 N -0.75 0.47 0.00 1.29 0.11 -1.98 -0.20 132.00 130.94 2hw9 h PRO 27 Ca -0.44 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2hw9 h PRO 27 Cb 1.21 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2hw9 h PRO 27 CO 0.57 0.31 0.00 -0.40 -0.21 0.00 0.00 178.00 178.27 2hw9 n ASP 28 N -4.48 0.00 0.00 -2.05 5.75 -1.26 -4.85 116.55 109.65 2hw9 n ASP 28 Ca 0.13 -0.56 0.00 0.00 -0.01 0.00 0.00 54.79 54.35 2hw9 n ASP 28 Cb 0.44 -0.11 0.00 0.00 -1.03 0.00 0.00 41.12 40.42 2hw9 n ASP 28 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2hw9 n GLY 29 N 0.78 0.54 3.77 6.12 0.00 -0.09 -4.96 105.19 111.36 2hw9 n GLY 29 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 2hw9 n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2hw9 s THR 30 N -2.25 3.27 -0.07 2.61 2.01 -1.25 -0.78 115.64 119.18 2hw9 s THR 30 Ca 0.00 1.04 0.05 0.00 0.31 0.00 0.00 61.69 63.09 2hw9 s THR 30 Cb 0.00 -3.57 -0.00 0.00 0.01 0.00 0.00 72.50 68.93 2hw9 s THR 30 CO 0.00 0.07 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.10 2hw9 s VAL 31 N -1.46 1.79 0.00 3.82 1.01 -1.26 -0.46 120.40 123.84 2hw9 s VAL 31 Ca 0.57 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.66 2hw9 s VAL 31 Cb -0.29 -1.54 0.00 0.00 0.00 0.00 0.00 36.38 34.56 2hw9 s VAL 31 CO 0.36 0.50 0.00 -0.90 0.00 0.00 0.00 175.10 175.06 2hw9 n ASP 32 N 3.24 0.00 -4.11 3.32 5.75 -0.76 -4.56 116.55 119.42 2hw9 n ASP 32 Ca -0.19 -0.31 -0.14 0.00 -0.01 0.00 0.00 54.79 54.14 2hw9 n ASP 32 Cb 0.52 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.50 2hw9 n ASP 32 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 2hw9 s GLY 33 N -0.34 0.66 0.02 6.12 0.00 0.76 -0.37 107.32 114.17 2hw9 s GLY 33 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 44.72 43.80 2hw9 s GLY 33 CO 0.00 -0.97 -0.03 -1.08 0.00 0.00 0.00 173.10 171.03 2hw9 s THR 34 N -1.62 0.12 -1.15 0.90 -1.32 -0.52 -4.75 115.64 107.29 2hw9 s THR 34 Ca -0.05 -0.66 0.27 0.00 -1.21 0.00 0.00 61.69 60.04 2hw9 s THR 34 Cb -0.08 -0.22 0.15 0.00 -1.51 0.00 0.00 72.50 70.83 2hw9 s THR 34 CO 0.01 -0.34 1.62 0.54 -2.21 0.00 0.00 174.62 174.23 2hw9 n ARG 35 N 2.02 0.16 -2.23 7.08 1.74 -1.26 -0.52 116.66 123.65 2hw9 n ARG 35 Ca -0.20 -0.07 -0.40 0.00 -0.77 0.00 0.00 57.85 56.40 2hw9 n ARG 35 Cb 0.56 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.48 2hw9 n ARG 35 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2hw9 s ASP 36 N -2.89 5.75 0.11 0.55 2.15 -1.26 -4.85 116.67 116.23 2hw9 s ASP 36 Ca 0.15 0.28 0.16 0.00 0.43 0.00 0.00 52.55 53.58 2hw9 s ASP 36 Cb 0.18 -2.54 0.70 0.00 -0.30 0.00 0.00 42.92 40.96 2hw9 s ASP 36 CO 0.61 -2.02 1.50 -1.14 -0.17 0.00 0.00 175.17 173.95 2hw9 n ARG 37 N 8.98 0.08 0.00 4.34 0.63 -1.26 -2.16 116.66 127.26 2hw9 n ARG 37 Ca 0.15 0.38 0.12 0.00 -0.92 0.00 0.00 57.85 57.58 2hw9 n ARG 37 Cb 0.50 -1.66 0.29 0.00 0.45 0.00 0.00 32.46 32.04 2hw9 n ARG 37 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 2hw9 n SER 38 N -1.81 0.98 -4.69 6.15 3.41 -1.26 -4.95 113.62 111.45 2hw9 n SER 38 Ca 0.02 -0.79 -0.43 0.00 -0.26 0.00 0.00 58.87 57.41 2hw9 n SER 38 Cb 0.15 0.23 -0.01 0.00 -0.26 0.00 0.00 64.21 64.32 2hw9 n SER 38 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2hw9 n ASP 39 N -0.84 2.62 -0.46 4.04 -0.08 -0.92 -4.90 116.55 116.01 2hw9 n ASP 39 Ca 0.10 1.21 0.13 0.00 -1.51 0.00 0.00 54.79 54.71 2hw9 n ASP 39 Cb 0.35 -1.46 0.50 0.00 2.34 0.00 0.00 41.12 42.84 2hw9 n ASP 39 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2hw9 n GLN 40 N 0.57 1.62 -0.37 -0.67 1.13 -1.26 -3.95 117.38 114.45 2hw9 n GLN 40 Ca 0.05 -0.92 0.08 0.00 -1.94 0.00 0.00 57.00 54.28 2hw9 n GLN 40 Cb 0.36 -1.44 0.22 0.00 0.11 0.00 0.00 30.24 29.49 2hw9 n GLN 40 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 2hw9 n HIS 41 N 0.12 0.67 0.49 1.08 8.25 -1.26 -4.44 115.22 120.12 2hw9 n HIS 41 Ca 0.18 -0.98 0.05 0.00 -0.26 0.00 0.00 57.72 56.71 2hw9 n HIS 41 Cb 0.32 -0.28 0.01 0.00 1.12 0.00 0.00 29.99 31.15 2hw9 n HIS 41 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 2hw9 n ILE 42 N -0.84 0.00 -2.65 1.59 -5.35 -1.25 -2.10 119.36 108.76 2hw9 n ILE 42 Ca 0.21 -0.40 -0.43 0.00 -0.27 0.00 0.00 62.75 61.86 2hw9 n ILE 42 Cb 0.83 1.15 -0.02 0.00 -1.74 0.00 0.00 39.64 39.86 2hw9 n ILE 42 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 2hw9 s GLN 43 N -1.38 4.13 0.13 6.28 1.11 -1.26 -4.46 119.66 124.21 2hw9 s GLN 43 Ca 0.10 1.17 0.11 0.00 0.01 0.00 0.00 55.36 56.74 2hw9 s GLN 43 Cb 0.09 -3.71 -0.04 0.00 -1.01 0.00 0.00 33.01 28.34 2hw9 s GLN 43 CO 0.26 -0.82 -0.25 -0.51 0.01 0.00 0.00 175.29 173.99 2hw9 s LEU 44 N 3.51 2.42 -0.17 2.90 1.43 0.09 -1.81 118.68 127.05 2hw9 s LEU 44 Ca 0.45 -0.71 0.01 0.00 -1.03 0.00 0.00 54.13 52.85 2hw9 s LEU 44 Cb -0.13 -1.30 0.03 0.00 0.03 0.00 0.00 46.19 44.82 2hw9 s LEU 44 CO 0.12 0.18 -0.13 -1.58 0.23 0.00 0.00 176.35 175.17 2hw9 s GLN 45 N -2.11 2.24 0.30 1.70 2.00 0.65 0.07 119.66 124.52 2hw9 s GLN 45 Ca 0.15 -0.71 -0.05 0.00 -2.00 0.00 0.00 55.36 52.74 2hw9 s GLN 45 Cb -0.10 -2.29 -0.05 0.00 0.80 0.00 0.00 33.01 31.37 2hw9 s GLN 45 CO 0.07 -0.32 0.58 -0.51 -0.50 0.00 0.00 175.29 174.61 2hw9 s LEU 46 N 1.43 4.03 -0.02 3.68 1.02 -1.26 -1.08 118.68 126.47 2hw9 s LEU 46 Ca 0.02 0.76 -0.14 0.00 0.02 0.00 0.00 54.13 54.79 2hw9 s LEU 46 Cb -0.14 -3.58 0.02 0.00 0.02 0.00 0.00 46.19 42.50 2hw9 s LEU 46 CO -0.10 -0.22 0.30 -0.94 0.02 0.00 0.00 176.35 175.41 2hw9 s SER 47 N -3.18 -0.19 0.06 2.29 1.04 -0.68 -4.83 113.70 108.21 2hw9 s SER 47 Ca 0.45 0.13 -0.06 0.00 0.48 0.00 0.00 55.95 56.95 2hw9 s SER 47 Cb -0.11 0.34 -0.05 0.00 0.10 0.00 0.00 66.02 66.31 2hw9 s SER 47 CO 0.30 -0.41 0.31 0.00 0.98 0.00 0.00 173.24 174.43 2hw9 s ALA 48 N -1.16 3.83 0.00 5.32 0.00 -1.26 -0.85 121.76 127.63 2hw9 s ALA 48 Ca -0.12 -0.56 0.00 0.00 0.00 0.00 0.00 51.96 51.27 2hw9 s ALA 48 Cb -0.05 -2.09 0.00 0.00 0.00 0.00 0.00 23.12 20.98 2hw9 s ALA 48 CO 0.04 0.66 0.00 -1.91 0.00 0.00 0.00 175.76 174.54 2hw9 n GLU 49 N 0.76 0.00 -2.24 0.00 4.07 -0.74 -4.94 120.64 117.54 2hw9 n GLU 49 Ca -0.08 0.00 -0.26 0.00 -0.06 0.00 0.00 57.16 56.76 2hw9 n GLU 49 Cb 0.52 0.00 0.11 0.00 -0.06 0.00 0.00 31.44 32.01 2hw9 n GLU 49 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 2hw9 s SER 50 N -0.72 4.29 0.15 4.31 0.01 -1.26 -4.93 113.70 115.56 2hw9 s SER 50 Ca 0.00 0.19 -0.32 0.00 1.31 0.00 0.00 55.95 57.13 2hw9 s SER 50 Cb 0.00 -0.63 -0.12 0.00 0.21 0.00 0.00 66.02 65.48 2hw9 s SER 50 CO 0.00 -1.93 1.73 0.52 0.41 0.00 0.00 173.24 173.97 2hw9 n VAL 51 N -3.09 0.16 -0.91 3.43 0.31 -1.26 -1.55 118.33 115.42 2hw9 n VAL 51 Ca 0.12 -0.03 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 2hw9 n VAL 51 Cb 0.60 -1.89 0.00 0.00 -0.91 0.00 0.00 33.84 31.64 2hw9 n VAL 51 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2hw9 n GLY 52 N 3.93 0.79 3.42 2.92 0.00 -1.26 -5.03 105.19 109.95 2hw9 n GLY 52 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 2hw9 n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2hw9 s GLU 53 N -0.09 3.08 0.13 1.61 2.02 -0.59 -1.24 118.70 123.62 2hw9 s GLU 53 Ca 0.00 -0.68 0.04 0.00 0.02 0.00 0.00 54.97 54.35 2hw9 s GLU 53 Cb 0.00 -2.55 -0.04 0.00 0.10 0.00 0.00 34.13 31.64 2hw9 s GLU 53 CO 0.00 0.37 -0.10 0.14 0.02 0.00 0.00 175.26 175.69 2hw9 s VAL 54 N -0.05 1.10 0.01 2.63 -7.23 0.08 -1.80 120.40 115.14 2hw9 s VAL 54 Ca -0.03 -1.96 0.03 0.00 -1.81 0.00 0.00 61.98 58.21 2hw9 s VAL 54 Cb -0.14 -1.73 -0.03 0.00 0.56 0.00 0.00 36.38 35.03 2hw9 s VAL 54 CO 0.04 -0.71 -0.05 -0.31 -0.31 0.00 0.00 175.10 173.76 2hw9 s TYR 55 N -3.14 2.93 -0.26 2.82 2.02 -0.03 -0.98 117.35 120.70 2hw9 s TYR 55 Ca 0.14 -0.02 0.03 0.00 -0.37 0.00 0.00 57.07 56.85 2hw9 s TYR 55 Cb 0.01 -1.61 0.06 0.00 -0.40 0.00 0.00 41.96 40.02 2hw9 s TYR 55 CO 0.00 0.40 -0.11 0.42 -1.57 0.00 0.00 175.55 174.69 2hw9 s ILE 56 N -1.03 2.17 -0.08 2.71 1.01 -1.26 -1.69 121.20 123.03 2hw9 s ILE 56 Ca 0.18 -1.61 0.01 0.00 0.00 0.00 0.00 60.65 59.23 2hw9 s ILE 56 Cb -0.11 -2.27 -0.03 0.00 0.01 0.00 0.00 42.46 40.06 2hw9 s ILE 56 CO 0.09 -0.01 -0.10 -0.75 0.00 0.00 0.00 174.94 174.16 2hw9 s LYS 57 N 1.11 2.81 -0.11 2.79 2.20 -0.24 -0.60 119.74 127.69 2hw9 s LYS 57 Ca -0.09 -0.62 -0.30 0.00 -0.36 0.00 0.00 55.97 54.61 2hw9 s LYS 57 Cb -0.20 -2.54 -0.02 0.00 -1.51 0.00 0.00 37.83 33.57 2hw9 s LYS 57 CO -0.05 0.56 1.16 0.45 -0.36 0.00 0.00 175.35 177.11 2hw9 s SER 58 N -0.54 7.06 0.33 1.43 0.15 0.55 -0.25 113.70 122.44 2hw9 s SER 58 Ca 0.08 1.68 0.17 0.00 0.70 0.00 0.00 55.95 58.57 2hw9 s SER 58 Cb -0.12 -2.55 0.49 0.00 -1.71 0.00 0.00 66.02 62.13 2hw9 s SER 58 CO 0.02 -0.62 1.65 0.71 1.20 0.00 0.00 173.24 176.20 2hw9 h THR 59 N 5.20 0.98 -0.01 6.45 1.35 -1.68 0.14 112.91 125.35 2hw9 h THR 59 Ca -0.30 -1.81 -0.02 0.00 -0.55 0.00 0.00 66.41 63.74 2hw9 h THR 59 Cb 1.13 2.09 0.00 0.00 -1.73 0.00 0.00 68.15 69.64 2hw9 h THR 59 CO 0.91 0.45 -0.05 -0.08 -0.25 0.00 0.00 175.52 176.49 2hw9 h GLU 60 N 0.00 0.05 0.00 4.72 4.57 -1.81 -3.38 114.58 118.74 2hw9 h GLU 60 Ca -0.00 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 2hw9 h GLU 60 Cb 1.05 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.65 2hw9 h GLU 60 CO 0.06 0.74 -1.59 0.25 -1.18 0.00 0.00 179.01 177.29 2hw9 n THR 61 N -4.70 0.00 -0.90 0.32 -2.24 -1.24 -5.00 114.28 100.52 2hw9 n THR 61 Ca -0.09 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 2hw9 n THR 61 Cb 0.37 0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.93 2hw9 n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2hw9 n GLY 62 N 1.42 0.98 3.83 3.38 0.00 0.49 -5.02 105.19 110.27 2hw9 n GLY 62 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 2hw9 n GLY 62 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2hw9 s GLN 63 N -0.09 3.74 -0.03 1.61 -0.21 -1.26 -4.73 119.66 118.71 2hw9 s GLN 63 Ca 0.00 1.04 -0.00 0.00 0.02 0.00 0.00 55.36 56.41 2hw9 s GLN 63 Cb 0.00 -2.10 -0.04 0.00 1.00 0.00 0.00 33.01 31.87 2hw9 s GLN 63 CO 0.00 -0.45 0.04 0.71 -2.12 0.00 0.00 175.29 173.47 2hw9 s TYR 64 N -2.57 3.19 0.30 0.91 1.51 -0.09 -0.33 117.35 120.28 2hw9 s TYR 64 Ca 0.60 0.17 -0.29 0.00 -1.01 0.00 0.00 57.07 56.55 2hw9 s TYR 64 Cb -0.12 -1.73 -0.10 0.00 -0.11 0.00 0.00 41.96 39.90 2hw9 s TYR 64 CO 0.33 0.51 1.23 -1.17 -1.11 0.00 0.00 175.55 175.34 2hw9 s LEU 65 N -1.44 4.47 0.02 -1.29 2.96 0.23 -0.25 118.68 123.39 2hw9 s LEU 65 Ca 0.19 2.52 -0.05 0.00 -0.22 0.00 0.00 54.13 56.57 2hw9 s LEU 65 Cb -0.12 -3.64 -0.01 0.00 0.50 0.00 0.00 46.19 42.93 2hw9 s LEU 65 CO 0.09 -0.39 0.08 0.00 -1.32 0.00 0.00 176.35 174.81 2hw9 s ALA 66 N -1.07 -0.10 -0.12 5.97 0.00 -0.41 -4.35 121.76 121.68 2hw9 s ALA 66 Ca 0.48 -0.43 0.03 0.00 0.00 0.00 0.00 51.96 52.03 2hw9 s ALA 66 Cb -0.37 0.18 0.01 0.00 0.00 0.00 0.00 23.12 22.94 2hw9 s ALA 66 CO 0.48 -0.24 -0.21 1.41 0.00 0.00 0.00 175.76 177.19 2hw9 s MET 67 N -1.95 2.87 0.87 0.00 1.75 -0.60 -1.23 119.30 121.01 2hw9 s MET 67 Ca -0.11 -0.80 -0.09 0.00 -1.25 0.00 0.00 55.69 53.44 2hw9 s MET 67 Cb -0.05 -2.29 0.18 0.00 2.84 0.00 0.00 34.83 35.50 2hw9 s MET 67 CO -0.02 0.02 1.19 0.16 -0.65 0.00 0.00 175.02 175.72 2hw9 s ASP 68 N 0.74 3.54 0.00 1.11 1.47 0.02 -4.83 116.67 118.70 2hw9 s ASP 68 Ca -0.10 -0.12 0.10 0.00 1.18 0.00 0.00 52.55 53.62 2hw9 s ASP 68 Cb -0.16 -0.01 0.45 0.00 -0.34 0.00 0.00 42.92 42.86 2hw9 s ASP 68 CO 0.01 -2.43 1.33 0.35 0.68 0.00 0.00 175.17 175.11 2hw9 n THR 69 N -3.38 1.25 0.57 2.11 -2.24 -1.26 -0.48 114.28 110.85 2hw9 n THR 69 Ca 0.16 0.31 0.12 0.00 -2.27 0.00 0.00 64.05 62.37 2hw9 n THR 69 Cb 0.60 -1.13 0.25 0.00 -2.10 0.00 0.00 70.33 67.95 2hw9 n THR 69 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2hw9 n ASP 70 N -1.49 3.00 0.00 3.42 8.00 -1.26 -4.95 116.55 123.27 2hw9 n ASP 70 Ca 0.03 -1.93 0.00 0.00 0.71 0.00 0.00 54.79 53.60 2hw9 n ASP 70 Cb 0.12 -0.21 0.00 0.00 -0.02 0.00 0.00 41.12 41.02 2hw9 n ASP 70 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2hw9 n GLY 71 N 1.41 0.51 3.88 0.44 0.00 0.36 -4.64 105.19 107.16 2hw9 n GLY 71 Ca 0.18 -0.16 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 2hw9 n GLY 71 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2hw9 s LEU 72 N 0.00 4.35 0.35 0.99 1.02 -1.26 -0.22 118.68 123.92 2hw9 s LEU 72 Ca 0.00 0.64 -0.15 0.00 0.02 0.00 0.00 54.13 54.64 2hw9 s LEU 72 Cb 0.00 -2.84 -0.09 0.00 0.02 0.00 0.00 46.19 43.28 2hw9 s LEU 72 CO 0.00 0.21 0.77 -0.76 0.02 0.00 0.00 176.35 176.59 2hw9 s LEU 73 N -1.90 3.99 0.20 1.79 1.43 -1.26 -0.80 118.68 122.13 2hw9 s LEU 73 Ca 0.31 1.30 -0.22 0.00 -1.03 0.00 0.00 54.13 54.49 2hw9 s LEU 73 Cb -0.13 -4.13 0.05 0.00 0.03 0.00 0.00 46.19 42.01 2hw9 s LEU 73 CO 0.18 -0.27 0.63 -0.72 0.23 0.00 0.00 176.35 176.40 2hw9 s TYR 74 N -2.10 -0.40 -0.19 0.29 1.13 -0.36 -4.53 117.35 111.18 2hw9 s TYR 74 Ca 0.54 0.11 -0.15 0.00 -1.41 0.00 0.00 57.07 56.17 2hw9 s TYR 74 Cb -0.10 0.59 -0.04 0.00 -1.10 0.00 0.00 41.96 41.30 2hw9 s TYR 74 CO 0.20 -0.97 0.34 0.20 -2.51 0.00 0.00 175.55 172.82 2hw9 s GLY 75 N -2.81 2.12 -0.03 5.49 0.00 0.04 -1.28 107.32 110.85 2hw9 s GLY 75 Ca 0.04 -0.53 -0.01 0.00 0.00 0.00 0.00 44.72 44.22 2hw9 s GLY 75 CO -0.06 0.65 0.06 -0.45 0.00 0.00 0.00 173.10 173.30 2hw9 s SER 76 N 0.86 5.57 0.42 1.64 0.15 0.65 -4.76 113.70 118.23 2hw9 s SER 76 Ca 0.17 0.15 0.22 0.00 0.70 0.00 0.00 55.95 57.20 2hw9 s SER 76 Cb -0.14 -1.59 0.86 0.00 -1.71 0.00 0.00 66.02 63.43 2hw9 s SER 76 CO 0.06 0.31 1.80 1.56 1.20 0.00 0.00 173.24 178.17 2hw9 h GLN 77 N 4.43 0.00 -5.58 5.44 1.08 -1.92 -0.21 115.11 118.35 2hw9 h GLN 77 Ca -0.50 0.00 -0.45 0.00 -1.45 0.00 0.00 58.65 56.25 2hw9 h GLN 77 Cb 1.19 0.00 -0.18 0.00 -0.05 0.00 0.00 27.48 28.44 2hw9 h GLN 77 CO 0.60 0.27 -0.77 0.95 -0.95 0.00 0.00 178.83 178.93 2hw9 s THR 78 N -3.65 1.48 -1.20 -0.54 -4.23 -1.26 -4.82 115.64 101.40 2hw9 s THR 78 Ca 0.00 -1.78 -0.11 0.00 -1.18 0.00 0.00 61.69 58.63 2hw9 s THR 78 Cb 0.11 -1.63 0.20 0.00 1.34 0.00 0.00 72.50 72.52 2hw9 s THR 78 CO 0.65 -0.38 1.51 -0.81 -0.54 0.00 0.00 174.62 175.04 2hw9 n PRO 79 N 0.47 3.56 -0.97 3.99 -0.04 -1.26 -4.74 135.00 136.01 2hw9 n PRO 79 Ca -0.15 -3.93 0.00 0.00 -0.04 0.00 0.00 63.50 59.38 2hw9 n PRO 79 Cb 0.57 -2.89 0.00 0.00 -0.04 0.00 0.00 33.50 31.14 2hw9 n PRO 79 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 2hw9 n ASN 80 N 4.32 0.03 0.21 3.54 0.23 -1.26 -4.92 115.26 117.41 2hw9 n ASN 80 Ca 0.35 -0.96 0.17 0.00 -0.53 0.00 0.00 54.58 53.61 2hw9 n ASN 80 Cb 0.40 0.00 0.82 0.00 -2.08 0.00 0.00 39.78 38.92 2hw9 n ASN 80 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 2hw9 h GLU 81 N 0.00 0.00 0.00 -3.83 4.11 -1.99 0.28 114.58 113.15 2hw9 h GLU 81 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2hw9 h GLU 81 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2hw9 h GLU 81 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 179.01 179.47 2hw9 n GLU 82 N -3.87 0.53 -0.03 1.06 1.02 -1.26 -3.55 120.64 114.54 2hw9 n GLU 82 Ca 0.01 0.01 0.08 0.00 -0.02 0.00 0.00 57.16 57.23 2hw9 n GLU 82 Cb 0.30 -1.50 0.08 0.00 -0.02 0.00 0.00 31.44 30.30 2hw9 n GLU 82 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2hw9 s LEU 84 N -1.24 4.28 0.08 0.00 1.43 -1.23 -4.44 118.68 117.57 2hw9 s LEU 84 Ca 0.19 0.91 0.08 0.00 -1.03 0.00 0.00 54.13 54.29 2hw9 s LEU 84 Cb 0.13 -2.80 -0.03 0.00 0.03 0.00 0.00 46.19 43.52 2hw9 s LEU 84 CO 0.19 -0.04 -0.21 -0.36 0.23 0.00 0.00 176.35 176.17 2hw9 s PHE 85 N 0.71 1.79 -0.40 0.29 0.40 -0.16 -1.34 117.98 119.27 2hw9 s PHE 85 Ca 0.29 -0.40 -0.23 0.00 -0.60 0.00 0.00 56.93 55.99 2hw9 s PHE 85 Cb -0.16 -1.02 0.02 0.00 0.51 0.00 0.00 43.02 42.37 2hw9 s PHE 85 CO 0.12 0.16 0.78 -0.51 0.70 0.00 0.00 175.22 176.47 2hw9 s LEU 86 N -1.61 4.19 -0.26 -0.37 1.43 0.16 -0.74 118.68 121.47 2hw9 s LEU 86 Ca 0.07 0.13 -0.18 0.00 -1.03 0.00 0.00 54.13 53.11 2hw9 s LEU 86 Cb -0.09 -2.98 -0.03 0.00 0.03 0.00 0.00 46.19 43.12 2hw9 s LEU 86 CO 0.03 -0.81 0.53 -0.70 0.23 0.00 0.00 176.35 175.63 2hw9 s GLU 87 N 3.17 4.08 0.07 1.70 2.12 -0.37 -1.30 118.70 128.17 2hw9 s GLU 87 Ca 0.30 0.36 0.04 0.00 0.36 0.00 0.00 54.97 56.03 2hw9 s GLU 87 Cb -0.13 -3.65 -0.03 0.00 0.26 0.00 0.00 34.13 30.59 2hw9 s GLU 87 CO 0.19 -0.35 -0.11 1.03 -0.54 0.00 0.00 175.26 175.49 2hw9 s ARG 88 N 2.29 0.75 0.39 4.30 1.81 -0.42 -4.68 118.95 123.39 2hw9 s ARG 88 Ca 0.22 -0.98 -0.25 0.00 -1.72 0.00 0.00 55.73 53.01 2hw9 s ARG 88 Cb -0.16 -0.57 -0.09 0.00 -0.45 0.00 0.00 34.95 33.69 2hw9 s ARG 88 CO 0.09 0.11 1.06 -1.17 -0.68 0.00 0.00 175.30 174.71 2hw9 s LEU 89 N -1.96 4.19 -0.00 2.53 2.96 -0.23 -0.40 118.68 125.77 2hw9 s LEU 89 Ca -0.01 2.08 -0.01 0.00 -0.22 0.00 0.00 54.13 55.97 2hw9 s LEU 89 Cb -0.07 -4.11 -0.00 0.00 0.50 0.00 0.00 46.19 42.51 2hw9 s LEU 89 CO 0.01 -0.46 0.02 -0.70 -1.32 0.00 0.00 176.35 173.89 2hw9 s GLU 90 N -2.36 0.11 -1.21 1.98 2.56 0.31 -4.81 118.70 115.28 2hw9 s GLU 90 Ca 0.56 -0.13 -0.07 0.00 0.00 0.00 0.00 54.97 55.33 2hw9 s GLU 90 Cb -0.24 0.04 0.05 0.00 2.00 0.00 0.00 34.13 35.99 2hw9 s GLU 90 CO 0.30 -0.02 0.38 0.39 -0.56 0.00 0.00 175.26 175.75 2hw9 n GLU 91 N 2.66 -3.21 -2.46 4.30 1.02 -1.26 -1.12 120.64 120.58 2hw9 n GLU 91 Ca -0.15 0.50 -0.16 0.00 -0.02 0.00 0.00 57.16 57.33 2hw9 n GLU 91 Cb 0.59 -5.19 -0.01 0.00 -0.02 0.00 0.00 31.44 26.81 2hw9 n GLU 91 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2hw9 n ASN 92 N -2.18 -4.78 0.07 1.62 4.13 -1.26 -4.59 115.26 108.26 2hw9 n ASN 92 Ca -0.04 0.09 0.00 0.00 1.68 0.00 0.00 54.58 56.30 2hw9 n ASN 92 Cb 0.56 -4.02 0.00 0.00 -1.54 0.00 0.00 39.78 34.78 2hw9 n ASN 92 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11 2hw9 n HIS 93 N -3.68 -3.04 -2.11 3.10 -0.00 -0.27 -5.16 115.22 104.05 2hw9 n HIS 93 Ca -0.18 0.44 -0.27 0.00 -0.00 0.00 0.00 57.72 57.71 2hw9 n HIS 93 Cb 0.64 1.46 0.06 0.00 -0.00 0.00 0.00 29.99 32.15 2hw9 n HIS 93 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 2hw9 s TYR 94 N -2.00 3.07 -0.09 1.57 2.02 -0.36 -4.82 117.35 116.74 2hw9 s TYR 94 Ca 0.00 0.67 -0.02 0.00 -0.37 0.00 0.00 57.07 57.34 2hw9 s TYR 94 Cb 0.00 -3.15 -0.03 0.00 -0.40 0.00 0.00 41.96 38.38 2hw9 s TYR 94 CO 0.00 -1.34 0.01 -0.80 -1.57 0.00 0.00 175.55 171.86 2hw9 s ASN 95 N -4.46 5.31 0.24 2.29 -0.87 0.13 -0.53 114.94 117.05 2hw9 s ASN 95 Ca 0.59 0.16 0.11 0.00 -1.57 0.00 0.00 52.86 52.15 2hw9 s ASN 95 Cb -0.11 -1.53 -0.05 0.00 -0.02 0.00 0.00 41.25 39.54 2hw9 s ASN 95 CO 0.47 0.37 -0.19 0.42 -2.57 0.00 0.00 177.10 175.60 2hw9 s THR 96 N -0.83 2.55 -0.21 1.60 -4.23 0.47 -0.88 115.64 114.10 2hw9 s THR 96 Ca 0.13 -2.20 -0.02 0.00 -1.18 0.00 0.00 61.69 58.41 2hw9 s THR 96 Cb -0.11 -2.30 0.06 0.00 1.34 0.00 0.00 72.50 71.49 2hw9 s THR 96 CO 0.02 -0.29 0.02 -0.31 -0.54 0.00 0.00 174.62 173.52 2hw9 s TYR 97 N -2.17 1.41 -0.15 3.99 2.02 -1.26 -1.29 117.35 119.90 2hw9 s TYR 97 Ca 0.27 -1.13 -0.07 0.00 -0.37 0.00 0.00 57.07 55.76 2hw9 s TYR 97 Cb -0.06 -1.20 -0.04 0.00 -0.40 0.00 0.00 41.96 40.26 2hw9 s TYR 97 CO 0.14 -0.66 0.10 0.42 -1.57 0.00 0.00 175.55 173.98 2hw9 s ILE 98 N 1.73 5.19 -0.04 2.71 1.01 -0.42 -1.32 121.20 130.06 2hw9 s ILE 98 Ca -0.02 0.10 -0.34 0.00 0.00 0.00 0.00 60.65 60.39 2hw9 s ILE 98 Cb -0.18 -3.30 -0.12 0.00 0.01 0.00 0.00 42.46 38.88 2hw9 s ILE 98 CO -0.08 0.54 1.85 -0.24 0.00 0.00 0.00 174.94 177.01 2hw9 n SER 99 N 2.72 3.48 -0.10 3.58 2.88 -0.31 0.36 113.62 126.23 2hw9 n SER 99 Ca -0.18 0.98 -0.11 0.00 -1.33 0.00 0.00 58.87 58.23 2hw9 n SER 99 Cb 0.53 -1.39 -0.04 0.00 -0.75 0.00 0.00 64.21 62.57 2hw9 n SER 99 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 2hw9 h LYS 100 N 8.90 0.52 -0.92 -1.46 3.64 -1.53 0.42 116.57 126.13 2hw9 h LYS 100 Ca -0.48 -0.17 0.11 0.00 -1.27 0.00 0.00 60.65 58.84 2hw9 h LYS 100 Cb 1.27 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.97 2hw9 h LYS 100 CO 0.94 0.67 0.59 -0.22 -2.27 0.00 0.00 179.45 179.17 2hw9 h LYS 101 N 0.30 0.85 -0.49 1.90 3.64 -1.77 -2.42 116.57 118.59 2hw9 h LYS 101 Ca 0.08 -0.05 -0.27 0.00 -1.27 0.00 0.00 60.65 59.14 2hw9 h LYS 101 Cb 0.45 -0.19 -0.16 0.00 -0.41 0.00 0.00 32.23 31.92 2hw9 h LYS 101 CO 0.02 0.56 0.04 0.72 -2.27 0.00 0.00 179.45 178.52 2hw9 n HIS 102 N -4.56 1.54 -0.09 1.91 8.25 -1.12 -4.77 115.22 116.38 2hw9 n HIS 102 Ca 0.17 -1.72 0.06 0.00 -0.26 0.00 0.00 57.72 55.97 2hw9 n HIS 102 Cb 0.35 -0.60 0.41 0.00 1.12 0.00 0.00 29.99 31.27 2hw9 n HIS 102 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2hw9 h ALA 103 N 1.07 1.76 0.00 -1.41 0.00 -0.39 -1.19 119.26 119.10 2hw9 h ALA 103 Ca 0.31 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2hw9 h ALA 103 Cb 1.84 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.46 2hw9 h ALA 103 CO 0.56 0.17 0.00 1.49 0.00 0.00 0.00 179.25 181.47 2hw9 h GLU 104 N 0.62 0.00 -0.01 0.00 4.81 -1.86 -1.70 114.58 116.44 2hw9 h GLU 104 Ca 0.24 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.47 2hw9 h GLU 104 Cb 0.17 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.55 2hw9 h GLU 104 CO -0.07 0.00 -0.21 1.63 -0.73 0.00 0.00 179.01 179.63 2hw9 n LYS 105 N -2.71 1.20 -3.73 1.92 5.02 -0.45 -4.96 118.16 114.45 2hw9 n LYS 105 Ca 0.00 -0.79 -0.22 0.00 -2.02 0.00 0.00 58.31 55.28 2hw9 n LYS 105 Cb 0.20 -1.48 0.03 0.00 -0.02 0.00 0.00 35.03 33.76 2hw9 n LYS 105 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2hw9 n ASN 106 N -0.21 -1.05 -4.63 4.39 4.13 -0.64 -4.95 115.26 112.30 2hw9 n ASN 106 Ca 0.13 -0.84 -0.39 0.00 1.68 0.00 0.00 54.58 55.16 2hw9 n ASN 106 Cb 0.39 -3.94 -0.08 0.00 -1.54 0.00 0.00 39.78 34.61 2hw9 n ASN 106 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 2hw9 s TRP 107 N -3.71 3.29 0.19 3.10 0.51 -1.25 -4.55 118.94 116.52 2hw9 s TRP 107 Ca 0.00 0.57 0.07 0.00 -2.12 0.00 0.00 56.10 54.63 2hw9 s TRP 107 Cb -0.00 -2.63 -0.04 0.00 -0.81 0.00 0.00 33.47 29.99 2hw9 s TRP 107 CO 0.82 -0.20 0.02 -0.06 -0.51 0.00 0.00 176.95 177.02 2hw9 s PHE 108 N 1.99 2.86 0.02 -1.98 0.40 -1.26 -1.16 117.98 118.85 2hw9 s PHE 108 Ca 0.19 -0.14 -0.30 0.00 -0.60 0.00 0.00 56.93 56.08 2hw9 s PHE 108 Cb -0.15 -1.37 -0.05 0.00 0.51 0.00 0.00 43.02 41.96 2hw9 s PHE 108 CO 0.09 0.53 1.24 0.08 0.70 0.00 0.00 175.22 177.86 2hw9 s VAL 109 N -1.82 4.04 -0.01 -0.44 1.01 -0.43 -4.42 120.40 118.32 2hw9 s VAL 109 Ca 0.28 1.43 -0.24 0.00 0.00 0.00 0.00 61.98 63.45 2hw9 s VAL 109 Cb -0.09 -3.92 0.05 0.00 0.00 0.00 0.00 36.38 32.43 2hw9 s VAL 109 CO 0.19 0.06 0.54 -0.83 0.00 0.00 0.00 175.10 175.06 2hw9 s GLY 110 N 1.32 -0.43 -0.03 4.51 0.00 -1.26 -4.44 107.32 107.00 2hw9 s GLY 110 Ca 0.59 0.84 0.07 0.00 0.00 0.00 0.00 44.72 46.22 2hw9 s GLY 110 CO 0.26 0.53 -0.24 1.08 0.00 0.00 0.00 173.10 174.73 2hw9 s LEU 111 N -1.50 2.05 0.88 0.66 1.43 -0.61 -1.01 118.68 120.58 2hw9 s LEU 111 Ca -0.10 -0.46 -0.12 0.00 -1.03 0.00 0.00 54.13 52.43 2hw9 s LEU 111 Cb -0.01 -1.28 0.12 0.00 0.03 0.00 0.00 46.19 45.05 2hw9 s LEU 111 CO 0.05 0.28 1.13 -0.54 0.23 0.00 0.00 176.35 177.49 2hw9 s LYS 112 N -0.45 1.39 0.53 1.70 1.02 0.17 -4.44 119.74 119.65 2hw9 s LYS 112 Ca 0.06 0.38 0.22 0.00 0.02 0.00 0.00 55.97 56.65 2hw9 s LYS 112 Cb -0.11 -1.86 1.42 0.00 -0.52 0.00 0.00 37.83 36.77 2hw9 s LYS 112 CO 0.00 -2.05 2.13 0.87 -0.92 0.00 0.00 175.35 175.39 2hw9 h LYS 113 N -1.39 0.00 -0.15 1.68 1.57 -1.86 -1.61 116.57 114.80 2hw9 h LYS 113 Ca -0.50 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.28 2hw9 h LYS 113 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.63 2hw9 h LYS 113 CO 0.61 0.07 0.00 0.27 -0.57 0.00 0.00 179.45 179.83 2hw9 n ASN 114 N -4.10 1.11 0.00 0.86 0.23 -1.26 -4.65 115.26 107.45 2hw9 n ASN 114 Ca -0.03 -1.75 0.00 0.00 -0.53 0.00 0.00 54.58 52.27 2hw9 n ASN 114 Cb 0.15 -0.10 0.00 0.00 -2.08 0.00 0.00 39.78 37.75 2hw9 n ASN 114 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2hw9 n GLY 115 N 0.95 1.20 3.83 4.83 0.00 -0.61 -4.99 105.19 110.41 2hw9 n GLY 115 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 2hw9 n GLY 115 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2hw9 s SER 116 N -3.04 6.91 0.30 1.61 0.01 -1.26 -0.17 113.70 118.06 2hw9 s SER 116 Ca 0.00 1.32 -0.29 0.00 1.31 0.00 0.00 55.95 58.29 2hw9 s SER 116 Cb 0.00 -2.39 -0.10 0.00 0.21 0.00 0.00 66.02 63.74 2hw9 s SER 116 CO 0.00 -0.07 1.41 -0.69 0.41 0.00 0.00 173.24 174.30 2hw9 s VAL 117 N -1.73 2.56 -0.36 3.43 1.01 -1.26 0.42 120.40 124.46 2hw9 s VAL 117 Ca 0.48 0.51 -0.15 0.00 0.00 0.00 0.00 61.98 62.81 2hw9 s VAL 117 Cb -0.14 -3.33 -0.00 0.00 0.00 0.00 0.00 36.38 32.91 2hw9 s VAL 117 CO 0.19 0.10 0.36 -0.75 0.00 0.00 0.00 175.10 175.01 2hw9 s LYS 118 N -1.15 3.42 0.55 2.72 2.20 -0.18 -4.72 119.74 122.58 2hw9 s LYS 118 Ca 0.55 -0.55 -0.21 0.00 -0.36 0.00 0.00 55.97 55.40 2hw9 s LYS 118 Cb -0.42 -3.85 -0.05 0.00 -1.51 0.00 0.00 37.83 32.00 2hw9 s LYS 118 CO 0.50 -0.60 1.21 2.89 -0.36 0.00 0.00 175.35 178.99 2hw9 n ARG 119 N 5.39 1.42 -0.37 4.03 1.85 -1.26 -4.24 116.66 123.48 2hw9 n ARG 119 Ca -0.09 0.53 0.00 0.00 -1.00 0.00 0.00 57.85 57.29 2hw9 n ARG 119 Cb 0.49 -2.40 0.06 0.00 -1.05 0.00 0.00 32.46 29.56 2hw9 n ARG 119 CO 0.00 0.00 0.00 0.78 -0.01 0.00 0.00 177.63 178.40 2hw9 h GLY 120 N 1.17 0.23 2.00 2.89 0.00 -0.81 0.96 103.07 109.51 2hw9 h GLY 120 Ca -0.49 0.47 0.00 0.00 0.00 0.00 0.00 47.33 47.30 2hw9 h GLY 120 CO 0.55 -0.25 0.00 -0.56 0.00 0.00 0.00 176.54 176.29 2hw9 h PRO 121 N -0.01 0.00 -0.02 4.80 0.13 -1.83 -1.85 132.00 133.22 2hw9 h PRO 121 Ca 0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.50 2hw9 h PRO 121 Cb 0.63 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.76 2hw9 h PRO 121 CO -0.98 0.00 -0.10 0.54 -0.23 0.00 0.00 178.00 177.23 2hw9 n ARG 122 N -2.33 1.89 -3.86 0.86 1.74 0.31 -4.93 116.66 110.35 2hw9 n ARG 122 Ca 0.00 -1.46 -0.23 0.00 -0.77 0.00 0.00 57.85 55.39 2hw9 n ARG 122 Cb 0.14 -1.47 -0.02 0.00 -1.02 0.00 0.00 32.46 30.09 2hw9 n ARG 122 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2hw9 s THR 123 N -2.11 5.24 -0.09 0.55 -4.23 -0.69 -4.94 115.64 109.37 2hw9 s THR 123 Ca 0.28 -0.80 -0.31 0.00 -1.18 0.00 0.00 61.69 59.68 2hw9 s THR 123 Cb 0.20 -3.83 0.12 0.00 1.34 0.00 0.00 72.50 70.33 2hw9 s THR 123 CO 0.37 -0.31 1.01 -1.38 -0.54 0.00 0.00 174.62 173.77 2hw9 s HIS 124 N -1.98 -0.28 0.45 3.99 -3.43 -1.26 -4.84 115.29 107.94 2hw9 s HIS 124 Ca 0.35 0.22 -0.23 0.00 -0.80 0.00 0.00 55.06 54.60 2hw9 s HIS 124 Cb -0.10 0.52 -0.10 0.00 -1.43 0.00 0.00 32.58 31.47 2hw9 s HIS 124 CO 0.30 -0.40 1.02 0.66 -2.00 0.00 0.00 174.74 174.32 2hw9 n TYR 125 N -0.05 1.18 0.00 0.38 4.01 -1.26 -2.43 117.16 118.99 2hw9 n TYR 125 Ca -0.06 0.53 0.00 0.00 -0.16 0.00 0.00 57.90 58.21 2hw9 n TYR 125 Cb 0.60 -2.23 0.00 0.00 -0.31 0.00 0.00 39.34 37.41 2hw9 n TYR 125 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2hw9 n GLY 126 N 1.17 2.24 3.88 2.72 0.00 -1.26 -5.08 105.19 108.87 2hw9 n GLY 126 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 2hw9 n GLY 126 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2hw9 s GLN 127 N -0.90 3.61 0.16 1.61 -0.21 -1.02 -4.99 119.66 117.92 2hw9 s GLN 127 Ca 0.00 0.52 0.18 0.00 0.02 0.00 0.00 55.36 56.08 2hw9 s GLN 127 Cb 0.00 -2.23 -0.04 0.00 1.00 0.00 0.00 33.01 31.74 2hw9 s GLN 127 CO 0.00 -0.36 1.03 0.87 -2.12 0.00 0.00 175.29 174.71 2hw9 h LYS 128 N 0.10 0.00 0.00 2.91 1.79 -1.97 -3.34 116.57 116.06 2hw9 h LYS 128 Ca -0.46 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.01 2hw9 h LYS 128 Cb 1.20 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.84 2hw9 h LYS 128 CO 0.62 0.23 -0.03 0.00 -1.08 0.00 0.00 179.45 179.19 2hw9 h ALA 129 N 1.61 1.73 -0.01 3.86 0.00 -1.95 -2.33 119.26 122.18 2hw9 h ALA 129 Ca -0.09 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2hw9 h ALA 129 Cb 1.37 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.15 2hw9 h ALA 129 CO 0.03 0.04 -0.10 0.44 0.00 0.00 0.00 179.25 179.66 2hw9 n ILE 130 N -4.19 0.00 -3.23 0.00 -5.35 -1.25 -1.58 119.36 103.76 2hw9 n ILE 130 Ca -0.03 -0.20 -0.40 0.00 -0.27 0.00 0.00 62.75 61.85 2hw9 n ILE 130 Cb 0.12 0.45 -0.07 0.00 -1.74 0.00 0.00 39.64 38.40 2hw9 n ILE 130 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 2hw9 s LEU 131 N -2.21 4.06 0.22 7.28 1.43 -0.88 -4.39 118.68 124.20 2hw9 s LEU 131 Ca 0.32 0.56 0.09 0.00 -1.03 0.00 0.00 54.13 54.07 2hw9 s LEU 131 Cb 0.20 -2.68 -0.05 0.00 0.03 0.00 0.00 46.19 43.69 2hw9 s LEU 131 CO 0.41 -0.28 -0.17 -0.36 0.23 0.00 0.00 176.35 176.18 2hw9 s PHE 132 N 2.23 1.93 -0.06 0.29 0.40 -0.06 -1.43 117.98 121.28 2hw9 s PHE 132 Ca 0.22 -0.47 0.00 0.00 -0.60 0.00 0.00 56.93 56.08 2hw9 s PHE 132 Cb -0.16 -0.88 0.02 0.00 0.51 0.00 0.00 43.02 42.52 2hw9 s PHE 132 CO 0.09 0.47 -0.03 -0.51 0.70 0.00 0.00 175.22 175.95 2hw9 s LEU 133 N -3.26 1.05 -0.43 -0.37 1.43 -0.28 0.17 118.68 117.00 2hw9 s LEU 133 Ca 0.24 -0.11 -0.29 0.00 -1.03 0.00 0.00 54.13 52.94 2hw9 s LEU 133 Cb -0.03 -0.44 0.02 0.00 0.03 0.00 0.00 46.19 45.77 2hw9 s LEU 133 CO 0.09 -0.11 1.15 -2.16 0.23 0.00 0.00 176.35 175.56 2hw9 s PRO 134 N 1.32 3.80 0.04 1.29 0.04 -1.26 -1.30 135.00 138.93 2hw9 s PRO 134 Ca -0.05 0.74 0.01 0.00 0.04 0.00 0.00 61.00 61.75 2hw9 s PRO 134 Cb -0.13 -3.88 -0.04 0.00 0.04 0.00 0.00 34.50 30.49 2hw9 s PRO 134 CO -0.02 -1.27 0.09 -0.51 0.04 0.00 0.00 177.00 175.32 2hw9 s LEU 135 N 4.34 3.89 0.73 -3.56 1.43 0.18 -4.88 118.68 120.81 2hw9 s LEU 135 Ca 0.49 0.09 -0.16 0.00 -1.03 0.00 0.00 54.13 53.52 2hw9 s LEU 135 Cb -0.09 -2.41 0.03 0.00 0.03 0.00 0.00 46.19 43.74 2hw9 s LEU 135 CO 0.28 0.22 1.15 -0.81 0.23 0.00 0.00 176.35 177.42 2hw9 n PRO 136 N 0.81 0.58 0.00 1.29 -0.04 -1.26 -0.60 135.00 135.77 2hw9 n PRO 136 Ca -0.10 0.26 0.16 0.00 -0.04 0.00 0.00 63.50 63.77 2hw9 n PRO 136 Cb 0.52 -2.39 0.86 0.00 -0.04 0.00 0.00 33.50 32.45 2hw9 n PRO 136 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79