#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d7q n ASP 2 N 0.00 0.00 -0.08 1.61 8.00 -1.26 -3.42 116.55 121.40 3d7q n ASP 2 Ca 0.00 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.40 3d7q n ASP 2 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 3d7q n ASP 2 CO 0.00 0.00 0.00 0.50 -0.39 0.00 0.00 177.20 177.31 3d7q h LYS 3 N 0.00 0.40 -0.37 -1.24 3.64 -2.01 -0.61 116.57 116.38 3d7q h LYS 3 Ca 0.00 -0.08 0.06 0.00 -1.27 0.00 0.00 60.65 59.36 3d7q h LYS 3 Cb 0.00 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 31.71 3d7q h LYS 3 CO 0.00 0.45 0.07 1.25 -2.27 0.00 0.00 179.45 178.95 3d7q h LEU 4 N 0.28 -0.00 -0.67 5.20 5.85 -1.95 0.12 115.31 124.13 3d7q h LEU 4 Ca 0.09 0.06 -0.14 0.00 0.84 0.00 0.00 57.88 58.73 3d7q h LEU 4 Cb 0.20 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 3d7q h LEU 4 CO -0.01 0.04 -0.53 0.78 -0.34 0.00 0.00 178.44 178.38 3d7q h ASN 5 N 0.19 0.39 -0.53 1.25 2.35 -1.87 0.42 115.58 117.79 3d7q h ASN 5 Ca 0.18 -0.20 -0.02 0.00 -0.55 0.00 0.00 56.30 55.71 3d7q h ASN 5 Cb 0.21 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 3d7q h ASN 5 CO -0.24 0.85 0.26 -0.08 -1.65 0.00 0.00 177.43 176.57 3d7q h GLU 6 N 0.28 0.76 -0.28 0.81 4.81 -0.79 -1.85 114.58 118.32 3d7q h GLU 6 Ca 0.01 -0.11 -0.18 0.00 -0.13 0.00 0.00 59.36 58.95 3d7q h GLU 6 Cb 1.03 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 30.27 3d7q h GLU 6 CO 0.09 0.62 -0.54 1.88 -0.73 0.00 0.00 179.01 180.33 3d7q h TYR 7 N 0.71 1.03 -0.07 0.92 -1.99 -0.36 -0.35 116.97 116.85 3d7q h TYR 7 Ca 0.18 -0.36 0.01 0.00 2.00 0.00 0.00 58.73 60.56 3d7q h TYR 7 Cb 0.11 -0.19 -0.01 0.00 2.00 0.00 0.00 36.73 38.63 3d7q h TYR 7 CO -0.01 1.18 -0.02 0.00 -0.00 0.00 0.00 178.16 179.31 3d7q h ARG 8 N 0.63 -0.01 -0.06 4.88 3.08 -0.92 -0.63 114.38 121.36 3d7q h ARG 8 Ca 0.02 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.10 3d7q h ARG 8 Cb 1.14 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.15 3d7q h ARG 8 CO 0.12 -0.01 -0.16 1.15 -1.07 0.00 0.00 179.97 180.00 3d7q h THR 9 N -0.01 0.59 -0.35 2.04 2.02 -1.14 -1.25 112.91 114.81 3d7q h THR 9 Ca 0.03 0.00 -0.15 0.00 0.77 0.00 0.00 66.41 67.07 3d7q h THR 9 Cb 0.06 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.05 3d7q h THR 9 CO -0.07 0.00 -0.38 0.11 0.37 0.00 0.00 175.52 175.55 3d7q h LYS 10 N -0.24 0.82 -0.54 6.66 1.57 -0.97 -0.50 116.57 123.37 3d7q h LYS 10 Ca 0.07 -0.42 -0.07 0.00 -1.87 0.00 0.00 60.65 58.36 3d7q h LYS 10 Cb 0.34 0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 3d7q h LYS 10 CO -0.20 1.06 0.08 0.28 -0.57 0.00 0.00 179.45 180.09 3d7q h VAL 11 N 0.68 1.26 -0.18 0.50 2.07 -1.03 -1.82 116.25 117.72 3d7q h VAL 11 Ca 0.06 -0.98 -0.12 0.00 0.82 0.00 0.00 66.70 66.48 3d7q h VAL 11 Cb 0.94 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 3d7q h VAL 11 CO 0.09 0.35 -0.39 0.03 0.02 0.00 0.00 177.57 177.67 3d7q h ARG 12 N 0.80 0.39 -0.35 1.57 3.08 -1.02 -1.97 114.38 116.87 3d7q h ARG 12 Ca 0.16 -0.19 -0.16 0.00 0.07 0.00 0.00 59.98 59.87 3d7q h ARG 12 Cb 0.43 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 3d7q h ARG 12 CO 0.01 0.73 -0.41 1.96 -1.07 0.00 0.00 179.97 181.19 3d7q h GLN 13 N 0.33 0.87 -0.16 0.04 4.20 -0.93 -1.94 115.11 117.52 3d7q h GLN 13 Ca 0.03 -0.47 -0.10 0.00 0.06 0.00 0.00 58.65 58.18 3d7q h GLN 13 Cb 0.84 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.64 3d7q h GLN 13 CO 0.07 1.11 -0.27 1.25 -0.67 0.00 0.00 178.83 180.31 3d7q h LEU 14 N 0.70 0.51 -0.46 1.46 6.46 -1.27 -0.34 115.31 122.38 3d7q h LEU 14 Ca 0.05 -0.54 -0.08 0.00 -0.12 0.00 0.00 57.88 57.19 3d7q h LEU 14 Cb 0.99 -0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 40.76 3d7q h LEU 14 CO 0.10 0.96 -0.04 -0.07 -0.62 0.00 0.00 178.44 178.76 3d7q h LEU 15 N 0.09 0.83 -0.69 2.25 3.38 -1.40 -2.39 115.31 117.38 3d7q h LEU 15 Ca 0.01 -0.33 0.03 0.00 0.09 0.00 0.00 57.88 57.68 3d7q h LEU 15 Cb 0.86 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.34 3d7q h LEU 15 CO 0.06 0.96 0.43 0.74 0.09 0.00 0.00 178.44 180.73 3d7q h THR 16 N 0.69 1.10 -0.21 0.22 2.02 -1.31 -1.26 112.91 114.16 3d7q h THR 16 Ca 0.13 -0.29 0.04 0.00 0.77 0.00 0.00 66.41 67.05 3d7q h THR 16 Cb 0.56 0.18 -0.04 0.00 -1.74 0.00 0.00 68.15 67.10 3d7q h THR 16 CO 0.03 0.16 -0.04 0.50 0.37 0.00 0.00 175.52 176.53 3d7q h LYS 17 N 0.85 0.01 0.00 6.66 3.64 -0.93 -2.52 116.57 124.29 3d7q h LYS 17 Ca 0.27 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.61 3d7q h LYS 17 Cb 0.00 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 3d7q h LYS 17 CO -0.10 0.01 -0.20 0.45 -2.27 0.00 0.00 179.45 177.34 3d7q h HIS 18 N 0.01 0.00 0.00 1.91 3.86 -1.09 -2.07 115.15 117.77 3d7q h HIS 18 Ca 0.10 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.26 3d7q h HIS 18 Cb 0.15 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.61 3d7q h HIS 18 CO -0.22 0.20 -0.27 1.25 0.86 0.00 0.00 177.93 179.75 3d7q h LEU 19 N 0.00 0.00 0.00 2.43 6.46 -0.81 -3.28 115.31 120.11 3d7q h LEU 19 Ca -0.00 0.00 -0.30 0.00 -0.12 0.00 0.00 57.88 57.45 3d7q h LEU 19 Cb 0.55 0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 40.42 3d7q h LEU 19 CO 0.03 0.27 -2.25 0.00 -0.62 0.00 0.00 178.44 175.86 3d7q n GLN 20 N -3.52 0.68 -0.30 1.25 6.02 -0.83 -4.01 117.38 116.67 3d7q n GLN 20 Ca -0.00 -0.01 -0.01 0.00 -0.01 0.00 0.00 57.00 56.97 3d7q n GLN 20 Cb 0.43 -1.55 0.12 0.00 1.02 0.00 0.00 30.24 30.25 3d7q n GLN 20 CO 0.00 0.00 0.00 1.88 -1.01 0.00 0.00 177.06 177.93 3d7q h TYR 21 N 0.00 0.97 0.00 1.08 0.05 -1.50 -3.52 116.97 114.05 3d7q h TYR 21 Ca -0.44 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.37 3d7q h TYR 21 Cb 2.03 -0.32 0.00 0.00 1.01 0.00 0.00 36.73 39.45 3d7q h TYR 21 CO 0.00 0.53 0.00 0.36 -1.05 0.00 0.00 178.16 178.00 3d7q n LYS 22 N -4.60 0.00 0.00 4.88 2.85 -1.24 -5.14 118.16 114.91 3d7q n LYS 22 Ca 0.11 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.37 3d7q n LYS 22 Cb 0.13 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.51 3d7q n LYS 22 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3d7q n GLY 26 N 0.00 0.00 2.70 2.58 0.00 -1.26 -5.14 105.19 104.07 3d7q n GLY 26 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 3d7q n GLY 26 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3d7q n ASP 27 N 0.00 4.82 -4.50 1.61 8.00 -0.58 -5.01 116.55 120.90 3d7q n ASP 27 Ca 0.00 -3.56 -0.34 0.00 0.71 0.00 0.00 54.79 51.61 3d7q n ASP 27 Cb 0.00 -0.78 -0.12 0.00 -0.02 0.00 0.00 41.12 40.20 3d7q n ASP 27 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3d7q s VAL 28 N -3.43 3.61 -0.11 2.53 1.01 -1.26 -1.67 120.40 121.09 3d7q s VAL 28 Ca 0.42 -0.48 -0.05 0.00 0.00 0.00 0.00 61.98 61.86 3d7q s VAL 28 Cb 0.18 -2.52 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 3d7q s VAL 28 CO -0.05 0.54 0.10 -1.61 0.00 0.00 0.00 175.10 174.08 3d7q s GLU 29 N -0.12 3.32 -0.34 2.72 0.41 -0.34 -4.94 118.70 119.40 3d7q s GLU 29 Ca 0.01 -0.22 -0.13 0.00 -0.41 0.00 0.00 54.97 54.23 3d7q s GLU 29 Cb -0.13 -3.07 -0.01 0.00 -1.78 0.00 0.00 34.13 29.13 3d7q s GLU 29 CO 0.03 0.75 0.24 0.08 -0.49 0.00 0.00 175.26 175.87 3d7q s VAL 30 N -0.96 5.25 0.10 2.63 1.01 -1.26 -0.99 120.40 126.18 3d7q s VAL 30 Ca 0.14 -0.25 0.09 0.00 0.00 0.00 0.00 61.98 61.96 3d7q s VAL 30 Cb -0.12 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 3d7q s VAL 30 CO 0.03 -0.02 -0.18 -1.61 0.00 0.00 0.00 175.10 173.32 3d7q s GLU 31 N 1.71 1.84 -0.16 2.72 0.41 0.48 -4.90 118.70 120.81 3d7q s GLU 31 Ca 0.06 -1.14 -0.13 0.00 -0.41 0.00 0.00 54.97 53.35 3d7q s GLU 31 Cb -0.17 -2.13 -0.05 0.00 -1.78 0.00 0.00 34.13 30.00 3d7q s GLU 31 CO 0.10 0.49 0.27 -1.14 -0.49 0.00 0.00 175.26 174.49 3d7q s GLN 32 N -2.00 4.19 -0.36 1.61 0.74 -1.26 -0.48 119.66 122.10 3d7q s GLN 32 Ca 0.17 0.06 0.01 0.00 0.05 0.00 0.00 55.36 55.64 3d7q s GLN 32 Cb -0.11 -3.40 0.11 0.00 1.10 0.00 0.00 33.01 30.71 3d7q s GLN 32 CO 0.09 0.29 0.15 0.42 -0.55 0.00 0.00 175.29 175.69 3d7q s ILE 33 N 0.31 1.16 -0.21 -2.34 1.01 0.47 -5.00 121.20 116.60 3d7q s ILE 33 Ca 0.16 -1.90 -0.04 0.00 0.00 0.00 0.00 60.65 58.86 3d7q s ILE 33 Cb -0.13 -1.85 -0.02 0.00 0.01 0.00 0.00 42.46 40.47 3d7q s ILE 33 CO 0.03 -0.76 -0.02 -0.36 0.00 0.00 0.00 174.94 173.84 3d7q s PHE 34 N 1.09 3.00 -0.31 3.97 0.08 -1.26 -0.70 117.98 123.85 3d7q s PHE 34 Ca 0.13 -0.65 0.03 0.00 0.12 0.00 0.00 56.93 56.56 3d7q s PHE 34 Cb -0.20 -2.09 0.09 0.00 -0.57 0.00 0.00 43.02 40.25 3d7q s PHE 34 CO -0.14 -0.37 0.02 0.34 -0.10 0.00 0.00 175.22 174.97 3d7q s ASP 35 N 1.21 4.57 0.10 1.36 -1.08 0.14 -4.99 116.67 117.98 3d7q s ASP 35 Ca 0.03 -1.89 -0.02 0.00 -0.52 0.00 0.00 52.55 50.15 3d7q s ASP 35 Cb -0.15 -1.51 -0.20 0.00 -1.46 0.00 0.00 42.92 39.61 3d7q s ASP 35 CO 0.00 -0.34 1.22 -0.08 0.52 0.00 0.00 175.17 176.50 3d7q h GLU 36 N 7.71 0.24 -0.54 4.34 4.81 -1.96 0.90 114.58 130.08 3d7q h GLU 36 Ca -0.09 -0.35 0.11 0.00 -0.13 0.00 0.00 59.36 58.89 3d7q h GLU 36 Cb 1.03 0.12 -0.09 0.00 0.63 0.00 0.00 28.75 30.44 3d7q h GLU 36 CO 0.50 1.13 -0.01 1.49 -0.73 0.00 0.00 179.01 181.39 3d7q h GLU 37 N 0.09 0.11 -0.02 1.92 4.57 -1.96 -2.93 114.58 116.35 3d7q h GLU 37 Ca -0.09 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.08 3d7q h GLU 37 Cb 1.82 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 30.38 3d7q h GLU 37 CO 0.18 0.07 -0.33 0.72 -1.18 0.00 0.00 179.01 178.46 3d7q n HIS 38 N -5.25 0.00 -3.77 0.92 8.25 -1.21 -4.98 115.22 109.17 3d7q n HIS 38 Ca 0.06 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.29 3d7q n HIS 38 Cb 0.29 -0.02 0.02 0.00 1.12 0.00 0.00 29.99 31.40 3d7q n HIS 38 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3d7q n ASP 39 N 0.18 -1.37 -4.31 0.41 8.00 0.22 -4.80 116.55 114.88 3d7q n ASP 39 Ca 0.11 -0.90 -0.33 0.00 0.71 0.00 0.00 54.79 54.38 3d7q n ASP 39 Cb 0.47 -3.69 -0.15 0.00 -0.02 0.00 0.00 41.12 37.73 3d7q n ASP 39 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 3d7q s HIS 40 N -3.74 2.79 -0.13 1.24 3.76 -0.66 -1.84 115.29 116.72 3d7q s HIS 40 Ca 0.05 -0.87 -0.01 0.00 -0.15 0.00 0.00 55.06 54.09 3d7q s HIS 40 Cb -0.02 -1.87 0.04 0.00 1.11 0.00 0.00 32.58 31.83 3d7q s HIS 40 CO 0.84 -0.36 -0.02 0.71 -0.85 0.00 0.00 174.74 175.05 3d7q s TYR 41 N 0.64 1.19 0.03 1.40 2.02 0.20 -0.69 117.35 122.14 3d7q s TYR 41 Ca -0.08 -0.65 0.03 0.00 -0.37 0.00 0.00 57.07 56.00 3d7q s TYR 41 Cb -0.16 -1.07 -0.02 0.00 -0.40 0.00 0.00 41.96 40.31 3d7q s TYR 41 CO 0.03 -0.49 -0.10 -1.14 -1.57 0.00 0.00 175.55 172.27 3d7q s GLN 42 N 1.80 0.70 -0.01 -0.62 0.74 0.13 -0.83 119.66 121.58 3d7q s GLN 42 Ca 0.03 -0.66 0.08 0.00 0.05 0.00 0.00 55.36 54.86 3d7q s GLN 42 Cb -0.14 -0.62 -0.02 0.00 1.10 0.00 0.00 33.01 33.33 3d7q s GLN 42 CO -0.07 0.15 -0.26 0.96 -0.55 0.00 0.00 175.29 175.52 3d7q s ILE 43 N -0.91 2.05 -0.02 -2.34 -4.36 -1.26 -0.39 121.20 113.97 3d7q s ILE 43 Ca -0.02 -1.16 -0.03 0.00 -0.26 0.00 0.00 60.65 59.18 3d7q s ILE 43 Cb -0.08 -1.71 0.00 0.00 1.25 0.00 0.00 42.46 41.93 3d7q s ILE 43 CO 0.01 0.53 0.07 -0.51 0.24 0.00 0.00 174.94 175.27 3d7q s ILE 44 N -0.65 0.02 -0.12 8.37 2.07 0.37 -0.29 121.20 130.97 3d7q s ILE 44 Ca 0.10 -0.13 -0.20 0.00 -1.41 0.00 0.00 60.65 59.01 3d7q s ILE 44 Cb -0.10 -0.15 -0.04 0.00 0.13 0.00 0.00 42.46 42.31 3d7q s ILE 44 CO -0.00 -0.07 0.58 -0.44 -1.91 0.00 0.00 174.94 173.09 3d7q s SER 45 N -0.20 6.78 -0.05 4.50 0.01 -0.61 -0.39 113.70 123.74 3d7q s SER 45 Ca -0.03 0.94 -0.02 0.00 1.31 0.00 0.00 55.95 58.15 3d7q s SER 45 Cb -0.02 -2.34 0.03 0.00 0.21 0.00 0.00 66.02 63.91 3d7q s SER 45 CO 0.00 -0.09 0.09 -0.69 0.41 0.00 0.00 173.24 172.96 3d7q s VAL 46 N 0.93 -0.15 -0.83 3.43 1.01 -0.16 -1.50 120.40 123.12 3d7q s VAL 46 Ca 0.30 0.40 0.00 0.00 0.00 0.00 0.00 61.98 62.68 3d7q s VAL 46 Cb -0.16 -0.19 0.00 0.00 0.00 0.00 0.00 36.38 36.03 3d7q s VAL 46 CO 0.13 0.17 0.00 0.61 0.00 0.00 0.00 175.10 176.01 3d7q n GLY 47 N 5.27 -0.56 3.04 4.51 0.00 -0.03 -1.19 105.19 116.23 3d7q n GLY 47 Ca -0.04 -0.43 -0.12 0.00 0.00 0.00 0.00 46.02 45.43 3d7q n GLY 47 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3d7q s TRP 48 N -4.00 -0.09 -0.60 1.61 0.52 -0.67 -0.73 118.94 114.99 3d7q s TRP 48 Ca 0.00 0.21 0.02 0.00 0.02 0.00 0.00 56.10 56.35 3d7q s TRP 48 Cb 0.00 0.02 0.15 0.00 -1.15 0.00 0.00 33.47 32.48 3d7q s TRP 48 CO 0.00 -0.13 0.37 1.21 0.02 0.00 0.00 176.95 178.41 3d7q s ASN 49 N -0.37 4.71 1.59 2.95 2.47 0.57 -1.52 114.94 125.33 3d7q s ASN 49 Ca -0.05 -3.15 0.00 0.00 0.42 0.00 0.00 52.86 50.08 3d7q s ASN 49 Cb -0.03 -1.71 0.00 0.00 -1.45 0.00 0.00 41.25 38.06 3d7q s ASN 49 CO 0.00 -0.24 0.00 -3.20 -3.72 0.00 0.00 177.10 169.95 3d7q n ASN 50 N 2.97 0.00 -0.19 -4.21 5.15 -1.26 -1.31 115.26 116.41 3d7q n ASN 50 Ca 0.09 0.00 0.13 0.00 -0.60 0.00 0.00 54.58 54.20 3d7q n ASN 50 Cb 0.34 0.00 0.40 0.00 -0.53 0.00 0.00 39.78 39.99 3d7q n ASN 50 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3d7q n GLN 51 N 5.89 0.70 -3.03 1.20 1.13 -1.26 -4.84 117.38 117.17 3d7q n GLN 51 Ca 0.00 -0.38 -0.41 0.00 -1.94 0.00 0.00 57.00 54.27 3d7q n GLN 51 Cb 0.00 -1.49 -0.06 0.00 0.11 0.00 0.00 30.24 28.80 3d7q n GLN 51 CO 0.00 0.00 0.00 -1.58 -1.44 0.00 0.00 177.06 174.04 3d7q s HIS 52 N -2.57 3.28 -0.07 1.08 2.46 -0.42 -5.03 115.29 114.03 3d7q s HIS 52 Ca 0.23 0.91 -0.30 0.00 0.47 0.00 0.00 55.06 56.37 3d7q s HIS 52 Cb 0.19 -2.93 -0.05 0.00 -0.13 0.00 0.00 32.58 29.66 3d7q s HIS 52 CO 0.54 -0.37 1.57 0.50 -2.47 0.00 0.00 174.74 174.51 3d7q s ARG 53 N 2.64 4.20 -0.26 2.88 6.06 -1.26 -0.32 118.95 132.88 3d7q s ARG 53 Ca 0.29 2.08 -0.14 0.00 -2.50 0.00 0.00 55.73 55.46 3d7q s ARG 53 Cb -0.15 -3.92 -0.04 0.00 0.06 0.00 0.00 34.95 30.90 3d7q s ARG 53 CO 0.08 -0.80 0.34 0.42 -2.50 0.00 0.00 175.30 172.84 3d7q s ILE 54 N 3.82 5.20 -0.25 4.11 -1.09 0.10 -4.91 121.20 128.18 3d7q s ILE 54 Ca 0.69 0.52 -0.07 0.00 -2.23 0.00 0.00 60.65 59.57 3d7q s ILE 54 Cb -0.31 -3.67 0.12 0.00 -1.58 0.00 0.00 42.46 37.02 3d7q s ILE 54 CO 0.27 0.19 0.52 -0.47 -1.23 0.00 0.00 174.94 174.22 3d7q s TYR 55 N 1.87 -1.11 0.00 3.97 5.04 -1.25 -0.85 117.35 125.02 3d7q s TYR 55 Ca 0.14 1.77 0.00 0.00 -2.44 0.00 0.00 57.07 56.54 3d7q s TYR 55 Cb -0.16 0.49 0.00 0.00 0.35 0.00 0.00 41.96 42.65 3d7q s TYR 55 CO 0.09 -0.63 0.00 0.41 -1.34 0.00 0.00 175.55 174.08 3d7q n GLY 56 N 5.41 1.86 3.59 8.97 0.00 -0.56 -4.99 105.19 119.48 3d7q n GLY 56 Ca -0.08 0.26 -0.47 0.00 0.00 0.00 0.00 46.02 45.73 3d7q n GLY 56 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3d7q n PRO 57 N 0.00 1.31 0.04 1.61 -0.02 -1.26 -1.57 135.00 135.10 3d7q n PRO 57 Ca 0.00 0.46 0.11 0.00 -2.02 0.00 0.00 63.50 62.06 3d7q n PRO 57 Cb 0.00 -1.94 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 3d7q n PRO 57 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3d7q n ILE 58 N 1.21 0.27 0.00 4.25 5.41 0.61 -4.67 119.36 126.43 3d7q n ILE 58 Ca 0.13 -0.35 0.00 0.00 1.00 0.00 0.00 62.75 63.53 3d7q n ILE 58 Cb 0.27 0.02 0.00 0.00 -0.71 0.00 0.00 39.64 39.23 3d7q n ILE 58 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 176.55 178.12 3d7q n HIS 60 N -2.19 0.00 -4.49 1.39 -0.00 -0.66 -0.33 115.22 108.94 3d7q n HIS 60 Ca 0.01 0.00 -0.23 0.00 0.46 0.00 0.00 57.72 57.96 3d7q n HIS 60 Cb 0.48 0.00 -0.16 0.00 -0.12 0.00 0.00 29.99 30.19 3d7q n HIS 60 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 3d7q s LEU 61 N 0.00 1.62 0.11 0.27 1.43 -0.01 -0.49 118.68 121.61 3d7q s LEU 61 Ca 0.00 -0.25 0.08 0.00 -1.03 0.00 0.00 54.13 52.92 3d7q s LEU 61 Cb 0.00 -0.72 -0.04 0.00 0.03 0.00 0.00 46.19 45.46 3d7q s LEU 61 CO 0.00 0.03 -0.13 -1.81 0.23 0.00 0.00 176.35 174.67 3d7q s ASP 62 N 0.61 4.21 -0.20 2.29 1.01 -0.25 -0.63 116.67 123.70 3d7q s ASP 62 Ca -0.12 -0.45 -0.04 0.00 0.71 0.00 0.00 52.55 52.66 3d7q s ASP 62 Cb -0.14 -0.73 -0.01 0.00 1.01 0.00 0.00 42.92 43.04 3d7q s ASP 62 CO 0.03 0.18 -0.04 -0.63 0.21 0.00 0.00 175.17 174.92 3d7q s ILE 63 N -1.18 3.52 -0.03 0.77 1.01 -0.77 0.23 121.20 124.75 3d7q s ILE 63 Ca 0.20 -0.45 -0.00 0.00 0.00 0.00 0.00 60.65 60.39 3d7q s ILE 63 Cb -0.11 -2.59 0.03 0.00 0.01 0.00 0.00 42.46 39.80 3d7q s ILE 63 CO 0.12 0.43 0.03 -0.54 0.00 0.00 0.00 174.94 174.98 3d7q s LYS 64 N 1.21 0.11 -1.53 2.79 1.02 -0.10 -4.77 119.74 118.47 3d7q s LYS 64 Ca 0.03 0.19 -0.09 0.00 0.02 0.00 0.00 55.97 56.12 3d7q s LYS 64 Cb -0.14 -0.44 0.07 0.00 -0.52 0.00 0.00 37.83 36.79 3d7q s LYS 64 CO -0.01 -0.21 0.64 0.09 -0.92 0.00 0.00 175.35 174.95 3d7q n ASN 65 N 4.51 -2.06 -2.84 2.83 3.02 -1.26 -0.84 115.26 118.63 3d7q n ASN 65 Ca -0.20 -0.97 -0.20 0.00 -0.03 0.00 0.00 54.58 53.17 3d7q n ASN 65 Cb 0.50 -3.09 0.01 0.00 -0.61 0.00 0.00 39.78 36.59 3d7q n ASN 65 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3d7q n ASN 66 N -2.85 -5.28 -4.20 6.41 3.02 -1.26 -5.01 115.26 106.10 3d7q n ASN 66 Ca -0.12 -0.16 -0.22 0.00 -0.03 0.00 0.00 54.58 54.05 3d7q n ASN 66 Cb 0.59 -4.34 -0.13 0.00 -0.61 0.00 0.00 39.78 35.28 3d7q n ASN 66 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3d7q s LYS 67 N -5.49 1.10 -0.34 3.52 1.02 -0.02 -4.92 119.74 114.61 3d7q s LYS 67 Ca 0.20 -0.87 -0.17 0.00 0.02 0.00 0.00 55.97 55.14 3d7q s LYS 67 Cb -0.09 -1.17 -0.01 0.00 -0.52 0.00 0.00 37.83 36.04 3d7q s LYS 67 CO 0.24 0.29 0.47 0.42 -0.92 0.00 0.00 175.35 175.85 3d7q s ILE 68 N -0.89 5.06 -0.29 2.17 1.01 0.37 -0.93 121.20 127.71 3d7q s ILE 68 Ca 0.04 0.29 -0.12 0.00 0.00 0.00 0.00 60.65 60.85 3d7q s ILE 68 Cb -0.08 -3.91 -0.04 0.00 0.01 0.00 0.00 42.46 38.43 3d7q s ILE 68 CO 0.02 -0.16 0.24 0.26 0.00 0.00 0.00 174.94 175.30 3d7q s TRP 69 N 2.28 3.23 -0.52 3.97 0.52 0.14 -0.56 118.94 127.99 3d7q s TRP 69 Ca 0.17 0.11 -0.22 0.00 0.02 0.00 0.00 56.10 56.19 3d7q s TRP 69 Cb -0.16 -2.45 0.05 0.00 -1.15 0.00 0.00 33.47 29.76 3d7q s TRP 69 CO 0.13 -0.22 0.77 0.42 0.02 0.00 0.00 176.95 178.07 3d7q s ILE 70 N 1.83 4.65 -0.06 2.03 1.01 -0.29 -1.09 121.20 129.27 3d7q s ILE 70 Ca 0.09 -0.06 0.13 0.00 0.00 0.00 0.00 60.65 60.81 3d7q s ILE 70 Cb -0.16 -4.39 -0.22 0.00 0.01 0.00 0.00 42.46 37.69 3d7q s ILE 70 CO 0.11 -0.91 0.65 0.00 0.00 0.00 0.00 174.94 174.78 3d7q n GLN 71 N 6.76 0.63 -3.60 2.79 1.13 0.35 -0.98 117.38 124.46 3d7q n GLN 71 Ca -0.02 0.27 -0.15 0.00 -1.94 0.00 0.00 57.00 55.16 3d7q n GLN 71 Cb 0.47 -1.78 -0.07 0.00 0.11 0.00 0.00 30.24 28.97 3d7q n GLN 71 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 3d7q s GLN 72 N -2.63 0.88 -0.27 -1.09 2.00 -1.14 -4.42 119.66 112.99 3d7q s GLN 72 Ca -0.05 0.71 -0.02 0.00 -2.00 0.00 0.00 55.36 54.01 3d7q s GLN 72 Cb 0.08 0.43 0.16 0.00 0.80 0.00 0.00 33.01 34.48 3d7q s GLN 72 CO 0.82 -0.17 0.50 1.21 -0.50 0.00 0.00 175.29 177.15 3d7q s ASN 73 N -0.16 -0.64 -0.23 6.67 2.47 -1.25 -1.66 114.94 120.13 3d7q s ASN 73 Ca -0.04 0.62 0.10 0.00 0.42 0.00 0.00 52.86 53.96 3d7q s ASN 73 Cb -0.03 1.69 0.67 0.00 -1.45 0.00 0.00 41.25 42.13 3d7q s ASN 73 CO 0.04 -0.28 1.59 0.35 -3.72 0.00 0.00 177.10 175.08 3d7q n THR 74 N 5.40 2.42 -4.44 -5.21 -2.24 0.56 -4.94 114.28 105.83 3d7q n THR 74 Ca -0.03 -1.25 -0.31 0.00 -2.27 0.00 0.00 64.05 60.19 3d7q n THR 74 Cb 0.51 -0.36 -0.04 0.00 -2.10 0.00 0.00 70.33 68.33 3d7q n THR 74 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3d7q s THR 75 N -2.53 1.21 -1.97 4.28 -4.23 -1.26 -5.02 115.64 106.12 3d7q s THR 75 Ca 0.46 -1.80 0.27 0.00 -1.18 0.00 0.00 61.69 59.44 3d7q s THR 75 Cb 0.36 -2.02 0.39 0.00 1.34 0.00 0.00 72.50 72.58 3d7q s THR 75 CO 0.13 0.00 1.67 -1.84 -0.54 0.00 0.00 174.62 174.04 3d7q n GLU 76 N -1.51 1.07 -1.97 3.99 0.00 -1.26 -4.91 120.64 116.05 3d7q n GLU 76 Ca -0.14 -0.59 -0.36 0.00 0.00 0.00 0.00 57.16 56.07 3d7q n GLU 76 Cb 0.66 -1.49 0.04 0.00 0.00 0.00 0.00 31.44 30.65 3d7q n GLU 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3d7q s ALA 77 N -2.34 2.56 -0.52 -1.84 0.00 -1.26 -4.99 121.76 113.37 3d7q s ALA 77 Ca 0.30 1.06 -0.14 0.00 0.00 0.00 0.00 51.96 53.17 3d7q s ALA 77 Cb 0.20 -3.47 0.13 0.00 0.00 0.00 0.00 23.12 19.98 3d7q s ALA 77 CO 0.46 -1.21 0.46 0.34 0.00 0.00 0.00 175.76 175.80 3d7q s ASP 78 N -1.51 6.06 0.21 0.00 -1.08 -1.26 -4.95 116.67 114.13 3d7q s ASP 78 Ca 0.77 -1.83 -0.01 0.00 -0.52 0.00 0.00 52.55 50.96 3d7q s ASP 78 Cb -0.32 -2.15 0.17 0.00 -1.46 0.00 0.00 42.92 39.15 3d7q s ASP 78 CO 0.35 -0.81 1.54 0.40 0.52 0.00 0.00 175.17 177.17 3d7q h ILE 79 N 5.96 1.32 -0.00 4.11 2.04 -1.98 -1.17 117.51 127.79 3d7q h ILE 79 Ca -0.27 -1.75 -0.00 0.00 1.00 0.00 0.00 64.86 63.83 3d7q h ILE 79 Cb 1.09 1.74 -0.00 0.00 -0.74 0.00 0.00 36.82 38.91 3d7q h ILE 79 CO 0.99 0.54 0.00 0.00 0.00 0.00 0.00 178.15 179.68 3d7q h ALA 80 N 1.04 0.00 -0.97 1.87 0.00 -1.99 0.12 119.26 119.33 3d7q h ALA 80 Ca 0.01 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.94 3d7q h ALA 80 Cb 1.04 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.77 3d7q h ALA 80 CO 0.09 -0.46 0.64 -0.07 0.00 0.00 0.00 179.25 179.45 3d7q h LEU 81 N -0.07 1.03 -0.77 0.00 3.38 -1.96 -2.33 115.31 114.60 3d7q h LEU 81 Ca 0.00 -0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 3d7q h LEU 81 Cb 0.07 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 3d7q h LEU 81 CO -0.00 0.69 -0.33 -0.33 0.09 0.00 0.00 178.44 178.56 3d7q h GLU 82 N 1.19 0.56 -1.44 1.13 5.08 -0.77 -0.24 114.58 120.08 3d7q h GLU 82 Ca 0.40 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3d7q h GLU 82 Cb 0.08 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.32 3d7q h GLU 82 CO -0.14 0.81 0.00 1.28 -1.00 0.00 0.00 179.01 179.96 3d7q n LEU 83 N -4.07 1.54 -2.79 1.33 4.77 0.37 -4.83 117.00 113.33 3d7q n LEU 83 Ca -0.01 -0.77 -0.17 0.00 -0.03 0.00 0.00 56.01 55.04 3d7q n LEU 83 Cb 0.47 -0.26 -0.03 0.00 -2.33 0.00 0.00 43.42 41.26 3d7q n LEU 83 CO 0.44 0.26 -0.08 1.21 -1.33 0.00 0.00 177.39 177.88 3d7q n GLU 85 N 0.72 -0.90 -1.84 3.23 2.13 -0.11 -2.56 120.64 121.31 3d7q n GLU 85 Ca 0.00 0.05 0.03 0.00 0.66 0.00 0.00 57.16 57.90 3d7q n GLU 85 Cb 0.26 -1.83 0.03 0.00 0.27 0.00 0.00 31.44 30.17 3d7q n GLU 85 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3d7q n GLY 87 N -0.84 1.20 3.70 8.31 0.00 -1.26 -5.23 105.19 111.07 3d7q n GLY 87 Ca 0.02 -0.89 -0.36 0.00 0.00 0.00 0.00 46.02 44.80 3d7q n GLY 87 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3d7q s ILE 88 N -0.97 5.38 0.28 -0.61 1.01 -1.06 -5.07 121.20 120.17 3d7q s ILE 88 Ca 0.32 0.18 -0.30 0.00 0.00 0.00 0.00 60.65 60.85 3d7q s ILE 88 Cb 0.37 -3.48 -0.12 0.00 0.01 0.00 0.00 42.46 39.24 3d7q s ILE 88 CO -0.13 0.41 1.54 0.47 0.00 0.00 0.00 174.94 177.22 3d7q n ASP 89 N 3.80 3.54 -0.27 3.58 9.92 -1.26 -4.88 116.55 130.98 3d7q n ASP 89 Ca -0.16 1.15 0.33 0.00 -0.53 0.00 0.00 54.79 55.58 3d7q n ASP 89 Cb 0.52 -1.55 0.74 0.00 -0.64 0.00 0.00 41.12 40.19 3d7q n ASP 89 CO 0.00 0.00 0.00 0.50 0.13 0.00 0.00 177.20 177.83 3d7q h LYS 90 N 4.54 0.00 -0.02 -1.24 3.64 -1.97 -0.73 116.57 120.79 3d7q h LYS 90 Ca -0.46 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 3d7q h LYS 90 Cb 1.24 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 3d7q h LYS 90 CO 0.78 0.00 0.00 1.04 -2.27 0.00 0.00 179.45 179.00 3d7q n GLN 91 N -4.21 1.53 -0.55 1.90 1.13 -1.26 -2.95 117.38 112.97 3d7q n GLN 91 Ca 0.23 -0.77 0.08 0.00 -1.94 0.00 0.00 57.00 54.60 3d7q n GLN 91 Cb 1.14 -1.47 0.31 0.00 0.11 0.00 0.00 30.24 30.32 3d7q n GLN 91 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 3d7q n ASP 92 N -0.05 4.41 -4.22 1.08 8.00 -0.28 -4.57 116.55 120.90 3d7q n ASP 92 Ca 0.20 -2.65 -0.32 0.00 0.71 0.00 0.00 54.79 52.72 3d7q n ASP 92 Cb 0.30 -0.54 -0.16 0.00 -0.02 0.00 0.00 41.12 40.70 3d7q n ASP 92 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3d7q s ILE 93 N -2.21 2.19 -0.13 0.53 1.01 -1.15 -0.48 121.20 120.97 3d7q s ILE 93 Ca 0.45 -0.96 0.01 0.00 0.00 0.00 0.00 60.65 60.15 3d7q s ILE 93 Cb 0.32 -1.86 -0.01 0.00 0.01 0.00 0.00 42.46 40.92 3d7q s ILE 93 CO 0.17 0.55 -0.15 -0.69 0.00 0.00 0.00 174.94 174.82 3d7q s VAL 94 N 0.50 2.82 -0.81 2.92 1.01 0.27 -1.62 120.40 125.49 3d7q s VAL 94 Ca -0.14 -0.74 -0.23 0.00 0.00 0.00 0.00 61.98 60.87 3d7q s VAL 94 Cb -0.17 -2.17 0.07 0.00 0.00 0.00 0.00 36.38 34.11 3d7q s VAL 94 CO 0.05 0.53 1.19 -0.63 0.00 0.00 0.00 175.10 176.24 3d7q s ILE 95 N 0.42 4.15 0.32 2.22 -1.09 -1.26 -1.14 121.20 124.82 3d7q s ILE 95 Ca -0.11 -0.47 0.23 0.00 -2.23 0.00 0.00 60.65 58.06 3d7q s ILE 95 Cb -0.16 -4.85 0.22 0.00 -1.58 0.00 0.00 42.46 36.09 3d7q s ILE 95 CO 0.05 -1.68 1.93 1.23 -1.23 0.00 0.00 174.94 175.24 3d7q h GLY 96 N 11.95 0.00 -1.31 6.18 0.00 -1.40 -1.80 103.07 116.69 3d7q h GLY 96 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.24 3d7q h GLY 96 CO 1.25 0.00 0.00 1.97 0.00 0.00 0.00 176.54 179.76 3d7q n PHE 97 N -3.68 0.46 -4.10 5.60 1.16 -1.23 -4.72 117.46 110.95 3d7q n PHE 97 Ca -0.01 -0.23 -0.36 0.00 -1.87 0.00 0.00 57.45 54.98 3d7q n PHE 97 Cb 0.34 0.00 -0.08 0.00 -1.61 0.00 0.00 39.48 38.14 3d7q n PHE 97 CO 0.00 0.00 0.00 -1.01 -1.87 0.00 0.00 176.76 173.88 3d7q s HIS 98 N -1.54 3.40 0.73 2.97 3.76 -0.68 -5.09 115.29 118.84 3d7q s HIS 98 Ca 0.27 0.38 -0.16 0.00 -0.15 0.00 0.00 55.06 55.40 3d7q s HIS 98 Cb 0.14 -1.87 0.03 0.00 1.11 0.00 0.00 32.58 31.99 3d7q s HIS 98 CO 0.19 0.62 1.12 0.25 -0.85 0.00 0.00 174.74 176.07 3d7q n THR 99 N 2.03 3.07 -0.32 1.30 -2.24 -1.26 -4.72 114.28 112.15 3d7q n THR 99 Ca -0.19 -0.35 0.18 0.00 -2.27 0.00 0.00 64.05 61.42 3d7q n THR 99 Cb 0.54 -1.23 0.38 0.00 -2.10 0.00 0.00 70.33 67.93 3d7q n THR 99 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 3d7q h PRO 100 N -0.28 0.28 -1.64 -0.78 0.11 -1.93 0.87 132.00 128.64 3d7q h PRO 100 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3d7q h PRO 100 Cb 1.32 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3d7q h PRO 100 CO 0.48 0.18 0.00 1.63 -0.21 0.00 0.00 178.00 180.08 3d7q n LYS 101 N -5.12 0.48 0.00 1.05 4.01 -1.26 -2.95 118.16 114.37 3d7q n LYS 101 Ca 0.26 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 58.06 3d7q n LYS 101 Cb 0.82 -1.26 0.00 0.00 -0.51 0.00 0.00 35.03 34.08 3d7q n LYS 101 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 3d7q n ARG 103 N 1.01 0.00 0.31 1.97 1.74 0.30 -3.96 116.66 118.02 3d7q n ARG 103 Ca 0.00 0.00 0.20 0.00 -0.77 0.00 0.00 57.85 57.28 3d7q n ARG 103 Cb 0.24 0.00 1.00 0.00 -1.02 0.00 0.00 32.46 32.69 3d7q n ARG 103 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 3d7q h GLN 104 N 0.00 0.00 0.00 5.56 7.50 -1.81 -3.25 115.11 123.11 3d7q h GLN 104 Ca 0.00 0.00 -0.08 0.00 0.50 0.00 0.00 58.65 59.07 3d7q h GLN 104 Cb 0.00 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 27.51 3d7q h GLN 104 CO 0.00 0.00 -1.61 1.28 -1.50 0.00 0.00 178.83 177.00 3d7q n LEU 105 N -3.03 0.00 -0.63 1.46 4.77 -1.25 -4.68 117.00 113.64 3d7q n LEU 105 Ca -0.02 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.04 3d7q n LEU 105 Cb 0.15 0.11 0.22 0.00 -2.33 0.00 0.00 43.42 41.57 3d7q n LEU 105 CO 0.22 0.11 0.68 -1.54 -1.33 0.00 0.00 177.39 175.53 3d7q n SER 106 N -2.11 1.84 0.00 -1.43 3.41 -1.23 -4.92 113.62 109.19 3d7q n SER 106 Ca -0.08 -1.91 0.00 0.00 -0.26 0.00 0.00 58.87 56.61 3d7q n SER 106 Cb 0.53 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 3d7q n SER 106 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3d7q n GLY 107 N 1.09 0.46 0.00 5.00 0.00 -1.26 -5.05 105.19 105.42 3d7q n GLY 107 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 3d7q n GLY 107 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3d7q n PHE 108 N -2.00 0.00 -2.47 1.61 3.01 -1.26 -4.93 117.46 111.42 3d7q n PHE 108 Ca 0.00 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.05 3d7q n PHE 108 Cb 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.44 3d7q n PHE 108 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3d7q s ALA 109 N -2.00 3.38 0.29 4.37 0.00 -0.64 -4.80 121.76 122.36 3d7q s ALA 109 Ca 0.00 0.83 0.04 0.00 0.00 0.00 0.00 51.96 52.84 3d7q s ALA 109 Cb 0.00 -3.40 0.45 0.00 0.00 0.00 0.00 23.12 20.17 3d7q s ALA 109 CO 0.00 -0.33 1.72 0.28 0.00 0.00 0.00 175.76 177.43 3d7q h VAL 110 N 4.12 1.28 0.00 0.00 2.07 -1.87 -3.40 116.25 118.45 3d7q h VAL 110 Ca -0.43 -1.36 0.00 0.00 0.82 0.00 0.00 66.70 65.73 3d7q h VAL 110 Cb 1.21 1.50 0.00 0.00 -1.52 0.00 0.00 31.29 32.48 3d7q h VAL 110 CO 0.77 0.42 0.00 1.21 0.02 0.00 0.00 177.57 179.98