#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgi s VAL 2 N 0.00 5.02 0.11 2.03 0.11 -1.26 -1.25 120.40 125.16 2hgi s VAL 2 Ca 0.00 1.38 -0.01 0.00 -2.93 0.00 0.00 61.98 60.42 2hgi s VAL 2 Cb 0.00 -4.01 0.00 0.00 -1.53 0.00 0.00 36.38 30.85 2hgi s VAL 2 CO 0.00 0.29 0.16 2.29 -3.33 0.00 0.00 175.10 174.51 2hgi n LYS 3 N 3.55 0.22 -3.91 1.54 2.85 -0.32 -1.52 118.16 120.57 2hgi n LYS 3 Ca -0.03 -0.81 -0.23 0.00 -1.05 0.00 0.00 58.31 56.20 2hgi n LYS 3 Cb 0.51 0.80 -0.17 0.00 -0.65 0.00 0.00 35.03 35.52 2hgi n LYS 3 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 177.40 178.31 2hgi s ILE 4 N -2.57 0.54 0.00 0.58 -0.00 0.07 -1.13 121.20 118.70 2hgi s ILE 4 Ca 0.08 -0.02 0.00 0.00 -0.00 0.00 0.00 60.65 60.71 2hgi s ILE 4 Cb -0.00 -0.63 0.00 0.00 -0.00 0.00 0.00 42.46 41.82 2hgi s ILE 4 CO 0.06 0.27 0.00 -2.11 -0.00 0.00 0.00 174.94 173.16 2hgi n ARG 5 N 4.80 0.00 -4.50 0.37 1.85 -0.25 -1.01 116.66 117.92 2hgi n ARG 5 Ca -0.13 0.00 -0.26 0.00 -1.00 0.00 0.00 57.85 56.46 2hgi n ARG 5 Cb 0.50 0.00 -0.10 0.00 -1.05 0.00 0.00 32.46 31.81 2hgi n ARG 5 CO 0.00 0.00 0.00 -0.48 -0.01 0.00 0.00 177.63 177.14 2hgi s LEU 6 N 0.00 2.81 0.09 2.89 -0.00 -1.23 -0.95 118.68 122.29 2hgi s LEU 6 Ca 0.00 -1.17 0.10 0.00 -0.00 0.00 0.00 54.13 53.05 2hgi s LEU 6 Cb 0.00 -1.07 -0.03 0.00 -0.00 0.00 0.00 46.19 45.08 2hgi s LEU 6 CO 0.00 -0.25 -0.25 0.00 -0.00 0.00 0.00 176.35 175.85 2hgi s ALA 7 N -2.60 2.18 -0.13 1.48 0.00 -0.25 -4.84 121.76 117.59 2hgi s ALA 7 Ca 0.33 -1.32 -0.09 0.00 0.00 0.00 0.00 51.96 50.89 2hgi s ALA 7 Cb 0.03 -0.39 -0.04 0.00 0.00 0.00 0.00 23.12 22.72 2hgi s ALA 7 CO 0.17 0.49 0.17 0.50 0.00 0.00 0.00 175.76 177.10 2hgi s ARG 8 N -1.65 3.71 0.33 0.00 3.00 -1.26 -0.58 118.95 122.49 2hgi s ARG 8 Ca 0.11 -0.09 0.03 0.00 -1.00 0.00 0.00 55.73 54.78 2hgi s ARG 8 Cb -0.10 -3.26 -0.04 0.00 0.00 0.00 0.00 34.95 31.55 2hgi s ARG 8 CO 0.04 0.62 0.13 -0.06 0.00 0.00 0.00 175.30 176.04 2hgi s PHE 9 N -0.61 1.69 0.00 5.12 2.99 -0.09 -4.95 117.98 122.14 2hgi s PHE 9 Ca 0.14 -1.28 0.00 0.00 0.00 0.00 0.00 56.93 55.79 2hgi s PHE 9 Cb -0.12 -0.99 0.00 0.00 0.00 0.00 0.00 43.02 41.91 2hgi s PHE 9 CO 0.03 -0.38 0.00 0.41 -0.00 0.00 0.00 175.22 175.28 2hgi n GLY 10 N -0.66 1.29 0.00 4.36 0.00 -1.26 -0.95 105.19 107.97 2hgi n GLY 10 Ca -0.01 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.08 2hgi n GLY 10 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2hgi n SER 11 N 0.00 0.00 -4.73 1.61 3.41 0.03 -5.01 113.62 108.92 2hgi n SER 11 Ca 0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.20 2hgi n SER 11 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 2hgi n SER 11 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 2hgi s LYS 12 N -0.31 4.69 0.00 4.33 2.47 -1.26 -3.63 119.74 126.03 2hgi s LYS 12 Ca 0.00 1.52 0.00 0.00 -1.56 0.00 0.00 55.97 55.93 2hgi s LYS 12 Cb 0.00 -3.35 0.00 0.00 -1.46 0.00 0.00 37.83 33.02 2hgi s LYS 12 CO 0.00 0.21 0.00 0.72 0.16 0.00 0.00 175.35 176.44 2hgi n HIS 13 N 2.58 0.00 -3.99 4.03 8.25 -1.26 -4.88 115.22 119.96 2hgi n HIS 13 Ca 0.02 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.17 2hgi n HIS 13 Cb 0.48 -1.22 -0.16 0.00 1.12 0.00 0.00 29.99 30.21 2hgi n HIS 13 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 2hgi s ASN 14 N -1.37 3.70 -0.01 0.41 2.47 -1.24 -5.12 114.94 113.78 2hgi s ASN 14 Ca 0.00 -1.05 0.03 0.00 0.42 0.00 0.00 52.86 52.26 2hgi s ASN 14 Cb 0.00 -1.27 -0.01 0.00 -1.45 0.00 0.00 41.25 38.52 2hgi s ASN 14 CO 0.00 -0.18 -0.11 -2.16 -3.72 0.00 0.00 177.10 170.94 2hgi s PRO 15 N 1.35 0.84 0.14 0.43 0.04 -1.26 -0.79 135.00 135.75 2hgi s PRO 15 Ca -0.04 -0.40 0.08 0.00 0.04 0.00 0.00 61.00 60.68 2hgi s PRO 15 Cb -0.18 -0.81 -0.04 0.00 0.04 0.00 0.00 34.50 33.51 2hgi s PRO 15 CO -0.07 0.22 -0.18 -1.01 0.04 0.00 0.00 177.00 176.01 2hgi s HIS 16 N -0.29 1.71 0.13 0.56 3.76 -0.12 -4.26 115.29 116.78 2hgi s HIS 16 Ca 0.04 -0.48 0.05 0.00 -0.15 0.00 0.00 55.06 54.52 2hgi s HIS 16 Cb -0.04 -0.87 -0.04 0.00 1.11 0.00 0.00 32.58 32.74 2hgi s HIS 16 CO -0.00 0.26 -0.13 0.71 -0.85 0.00 0.00 174.74 174.73 2hgi s TYR 17 N -1.94 1.36 -0.36 1.40 1.51 0.12 -0.91 117.35 118.53 2hgi s TYR 17 Ca 0.13 -0.62 -0.26 0.00 -1.01 0.00 0.00 57.07 55.31 2hgi s TYR 17 Cb -0.06 -0.70 0.01 0.00 -0.11 0.00 0.00 41.96 41.10 2hgi s TYR 17 CO 0.05 0.14 0.92 1.03 -1.11 0.00 0.00 175.55 176.58 2hgi s ARG 18 N -3.05 3.86 -0.50 -0.62 1.81 0.25 -1.18 118.95 119.52 2hgi s ARG 18 Ca 0.12 0.60 -0.20 0.00 -1.72 0.00 0.00 55.73 54.53 2hgi s ARG 18 Cb -0.02 -3.79 0.05 0.00 -0.45 0.00 0.00 34.95 30.73 2hgi s ARG 18 CO 0.02 -0.92 0.66 0.42 -0.68 0.00 0.00 175.30 174.81 2hgi s ILE 19 N 3.43 4.81 0.16 1.52 1.01 0.23 -1.10 121.20 131.27 2hgi s ILE 19 Ca 0.38 -0.32 -0.07 0.00 0.00 0.00 0.00 60.65 60.63 2hgi s ILE 19 Cb -0.12 -4.31 -0.02 0.00 0.01 0.00 0.00 42.46 38.02 2hgi s ILE 19 CO 0.18 -0.81 0.24 -0.69 0.00 0.00 0.00 174.94 173.86 2hgi s VAL 20 N 2.80 0.07 -0.12 2.92 1.01 -0.13 -0.95 120.40 126.00 2hgi s VAL 20 Ca 0.18 -1.53 -0.02 0.00 0.00 0.00 0.00 61.98 60.61 2hgi s VAL 20 Cb -0.18 -1.94 -0.03 0.00 0.00 0.00 0.00 36.38 34.24 2hgi s VAL 20 CO 0.14 -0.30 -0.04 0.68 0.00 0.00 0.00 175.10 175.58 2hgi s VAL 21 N -4.00 3.92 0.00 2.92 -7.23 0.10 -1.09 120.40 115.02 2hgi s VAL 21 Ca 0.20 -0.37 0.00 0.00 -1.81 0.00 0.00 61.98 60.00 2hgi s VAL 21 Cb 0.04 -2.68 0.00 0.00 0.56 0.00 0.00 36.38 34.31 2hgi s VAL 21 CO 0.02 0.54 0.00 0.35 -0.31 0.00 0.00 175.10 175.69 2hgi n THR 22 N 2.97 0.00 -4.27 5.32 -2.24 -0.28 -0.19 114.28 115.58 2hgi n THR 22 Ca -0.18 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.25 2hgi n THR 22 Cb 0.53 0.00 -0.09 0.00 -2.10 0.00 0.00 70.33 68.66 2hgi n THR 22 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2hgi s ASP 23 N -0.65 5.38 -0.08 3.42 -1.08 -1.26 -1.17 116.67 121.24 2hgi s ASP 23 Ca 0.00 0.15 -0.01 0.00 -0.52 0.00 0.00 52.55 52.17 2hgi s ASP 23 Cb 0.00 -1.63 -0.02 0.00 -1.46 0.00 0.00 42.92 39.81 2hgi s ASP 23 CO 0.00 0.34 0.99 0.00 0.52 0.00 0.00 175.17 177.02 2hgi n ALA 24 N 2.41 1.59 -0.67 3.66 0.00 -0.38 -2.93 120.51 124.21 2hgi n ALA 24 Ca -0.18 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 52.99 2hgi n ALA 24 Cb 0.53 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.57 2hgi n ALA 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2hgi n ARG 25 N 3.85 0.00 -0.51 0.00 1.74 -1.26 -4.79 116.66 115.68 2hgi n ARG 25 Ca 0.06 0.00 -0.18 0.00 -0.77 0.00 0.00 57.85 56.96 2hgi n ARG 25 Cb 0.06 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.49 2hgi n ARG 25 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2hgi n ARG 26 N -1.50 0.00 -1.28 5.56 5.12 -1.15 -4.72 116.66 118.70 2hgi n ARG 26 Ca 0.00 0.00 -0.37 0.00 -1.93 0.00 0.00 57.85 55.55 2hgi n ARG 26 Cb 0.00 -0.38 0.04 0.00 -1.16 0.00 0.00 32.46 30.96 2hgi n ARG 26 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 2hgi n LYS 27 N 0.38 0.23 -0.29 5.56 5.02 -1.26 -4.49 118.16 123.31 2hgi n LYS 27 Ca 0.07 0.10 0.07 0.00 -2.02 0.00 0.00 58.31 56.52 2hgi n LYS 27 Cb 0.08 -1.47 0.15 0.00 -0.02 0.00 0.00 35.03 33.77 2hgi n LYS 27 CO 0.00 0.00 0.00 2.89 -0.52 0.00 0.00 177.40 179.77 2hgi n ARG 28 N 0.41 -0.07 -1.49 1.97 1.85 -1.26 0.14 116.66 118.21 2hgi n ARG 28 Ca 0.08 1.26 -0.32 0.00 -1.00 0.00 0.00 57.85 57.87 2hgi n ARG 28 Cb 0.49 -1.91 0.03 0.00 -1.05 0.00 0.00 32.46 30.02 2hgi n ARG 28 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2hgi n ASP 29 N -5.28 7.17 -4.94 2.89 10.43 -1.26 -4.49 116.55 121.06 2hgi n ASP 29 Ca 0.15 -3.55 -0.24 0.00 2.57 0.00 0.00 54.79 53.71 2hgi n ASP 29 Cb 0.46 -1.08 -0.01 0.00 1.84 0.00 0.00 41.12 42.33 2hgi n ASP 29 CO 0.00 0.00 0.00 -0.83 -1.07 0.00 0.00 177.20 175.30 2hgi s GLY 30 N -0.76 1.33 0.26 0.44 0.00 0.37 -4.99 107.32 103.97 2hgi s GLY 30 Ca 0.54 -0.94 -0.27 0.00 0.00 0.00 0.00 44.72 44.05 2hgi s GLY 30 CO -0.19 -0.89 0.67 1.17 0.00 0.00 0.00 173.10 173.86 2hgi n LYS 31 N -1.74 0.51 -3.93 2.90 4.81 -1.26 -4.88 118.16 114.57 2hgi n LYS 31 Ca -0.05 0.18 -0.22 0.00 -0.87 0.00 0.00 58.31 57.35 2hgi n LYS 31 Cb 0.56 -1.33 -0.05 0.00 0.02 0.00 0.00 35.03 34.23 2hgi n LYS 31 CO 0.00 0.00 0.00 1.52 1.17 0.00 0.00 177.40 180.09 2hgi s TYR 32 N -1.09 2.85 0.19 5.64 1.13 -1.26 -4.89 117.35 119.92 2hgi s TYR 32 Ca 0.62 -0.31 0.15 0.00 -1.41 0.00 0.00 57.07 56.12 2hgi s TYR 32 Cb -0.81 -1.71 0.52 0.00 -1.10 0.00 0.00 41.96 38.86 2hgi s TYR 32 CO 0.58 0.26 1.67 0.82 -2.51 0.00 0.00 175.55 176.37 2hgi h ILE 33 N 1.37 1.10 -1.20 -3.49 2.04 -0.90 -3.46 117.51 112.97 2hgi h ILE 33 Ca -0.45 -1.80 0.20 0.00 1.00 0.00 0.00 64.86 63.81 2hgi h ILE 33 Cb 1.25 2.04 -0.26 0.00 -0.74 0.00 0.00 36.82 39.11 2hgi h ILE 33 CO 0.60 0.47 0.84 -0.70 0.00 0.00 0.00 178.15 179.36 2hgi s GLU 34 N -3.56 0.21 -0.05 2.37 -6.30 0.02 -4.97 118.70 106.42 2hgi s GLU 34 Ca -0.00 0.05 -0.12 0.00 -2.50 0.00 0.00 54.97 52.40 2hgi s GLU 34 Cb 0.11 0.10 -0.05 0.00 0.00 0.00 0.00 34.13 34.29 2hgi s GLU 34 CO 0.72 -0.06 0.30 0.21 0.02 0.00 0.00 175.26 176.44 2hgi s LYS 35 N -1.04 3.72 -0.32 4.30 2.47 -1.26 -0.72 119.74 126.89 2hgi s LYS 35 Ca 0.06 0.19 0.06 0.00 -1.56 0.00 0.00 55.97 54.71 2hgi s LYS 35 Cb -0.01 -3.21 0.19 0.00 -1.46 0.00 0.00 37.83 33.34 2hgi s LYS 35 CO -0.05 0.73 0.56 0.96 0.16 0.00 0.00 175.35 177.70 2hgi s ILE 36 N -1.06 -0.90 0.09 5.43 -4.36 -0.12 -4.91 121.20 115.36 2hgi s ILE 36 Ca 0.20 -0.10 0.00 0.00 -0.26 0.00 0.00 60.65 60.49 2hgi s ILE 36 Cb -0.15 -0.74 0.00 0.00 1.25 0.00 0.00 42.46 42.82 2hgi s ILE 36 CO 0.10 -0.08 0.00 0.61 0.24 0.00 0.00 174.94 175.81 2hgi n GLY 37 N 5.11 -2.55 3.51 6.27 0.00 -1.23 -4.06 105.19 112.25 2hgi n GLY 37 Ca 0.06 -1.40 -0.09 0.00 0.00 0.00 0.00 46.02 44.58 2hgi n GLY 37 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2hgi s TYR 38 N -2.92 0.28 -0.20 1.61 -0.85 -0.09 -0.60 117.35 114.58 2hgi s TYR 38 Ca 0.00 -0.64 -0.29 0.00 -0.52 0.00 0.00 57.07 55.63 2hgi s TYR 38 Cb 0.00 0.17 0.13 0.00 0.38 0.00 0.00 41.96 42.64 2hgi s TYR 38 CO 0.00 -0.91 1.04 -0.47 -1.52 0.00 0.00 175.55 173.69 2hgi s TYR 39 N -3.98 -0.37 -0.21 -3.49 5.04 -0.32 -1.41 117.35 112.62 2hgi s TYR 39 Ca 0.19 0.71 0.01 0.00 -2.44 0.00 0.00 57.07 55.54 2hgi s TYR 39 Cb 0.00 0.43 0.05 0.00 0.35 0.00 0.00 41.96 42.79 2hgi s TYR 39 CO 0.05 -0.28 -0.10 0.16 -1.34 0.00 0.00 175.55 174.03 2hgi s ASP 40 N -0.72 3.60 0.00 4.32 -4.77 -0.30 -0.70 116.67 118.09 2hgi s ASP 40 Ca 0.00 -0.99 0.01 0.00 -3.30 0.00 0.00 52.55 48.28 2hgi s ASP 40 Cb -0.02 -1.29 0.05 0.00 -1.09 0.00 0.00 42.92 40.57 2hgi s ASP 40 CO -0.02 -0.15 0.32 -2.65 0.70 0.00 0.00 175.17 173.37 2hgi n PRO 41 N 4.64 0.25 0.00 2.11 -0.02 -1.26 -1.42 135.00 139.30 2hgi n PRO 41 Ca -0.15 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.35 2hgi n PRO 41 Cb 0.46 -1.06 0.00 0.00 -0.02 0.00 0.00 33.50 32.89 2hgi n PRO 41 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2hgi n ARG 42 N -0.56 1.77 0.00 -0.52 1.74 -1.26 -5.04 116.66 112.79 2hgi n ARG 42 Ca 0.01 -0.49 0.00 0.00 -0.77 0.00 0.00 57.85 56.60 2hgi n ARG 42 Cb 0.00 -0.94 0.00 0.00 -1.02 0.00 0.00 32.46 30.50 2hgi n ARG 42 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2hgi n LYS 43 N -0.23 0.00 0.00 5.56 4.01 -0.51 -4.96 118.16 122.03 2hgi n LYS 43 Ca 0.02 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.82 2hgi n LYS 43 Cb 0.09 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.61 2hgi n LYS 43 CO 0.00 0.00 0.00 -2.37 -1.11 0.00 0.00 177.40 173.92 2hgi n THR 44 N 0.00 0.00 -1.34 -0.18 5.66 -1.26 -4.50 114.28 112.66 2hgi n THR 44 Ca 0.00 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.69 2hgi n THR 44 Cb 0.00 0.00 0.09 0.00 -1.55 0.00 0.00 70.33 68.87 2hgi n THR 44 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2hgi s THR 45 N 0.00 3.32 0.00 1.09 -4.23 -1.26 -4.99 115.64 109.56 2hgi s THR 45 Ca 0.00 0.43 -0.18 0.00 -1.18 0.00 0.00 61.69 60.76 2hgi s THR 45 Cb 0.00 -2.99 -0.10 0.00 1.34 0.00 0.00 72.50 70.75 2hgi s THR 45 CO 0.00 -0.56 0.91 1.55 -0.54 0.00 0.00 174.62 175.98 2hgi h PRO 46 N -1.12 -0.61 -5.78 3.99 0.13 -2.05 -3.30 132.00 123.26 2hgi h PRO 46 Ca -0.45 0.04 -0.56 0.00 -0.87 0.00 0.00 66.00 64.16 2hgi h PRO 46 Cb 1.24 0.14 -0.07 0.00 0.13 0.00 0.00 31.00 32.44 2hgi h PRO 46 CO 0.54 -0.41 1.76 0.34 -0.23 0.00 0.00 178.00 180.00 2hgi s ASP 47 N -3.92 6.25 0.00 1.44 -1.08 -1.26 -4.59 116.67 113.50 2hgi s ASP 47 Ca -0.09 -2.04 0.25 0.00 -0.52 0.00 0.00 52.55 50.15 2hgi s ASP 47 Cb 0.01 -2.58 0.48 0.00 -1.46 0.00 0.00 42.92 39.37 2hgi s ASP 47 CO 0.28 -1.78 1.41 -2.67 0.52 0.00 0.00 175.17 172.93 2hgi n TRP 48 N 10.27 0.00 -3.69 -5.34 4.27 -1.24 -4.89 117.44 116.82 2hgi n TRP 48 Ca 0.45 0.00 -0.11 0.00 -3.89 0.00 0.00 57.50 53.96 2hgi n TRP 48 Cb 0.47 -0.01 -0.11 0.00 -1.36 0.00 0.00 31.31 30.30 2hgi n TRP 48 CO 0.00 0.00 0.00 -1.17 -2.29 0.00 0.00 177.69 174.23 2hgi s LEU 49 N -2.08 -0.18 -0.20 5.67 2.96 -1.26 -1.15 118.68 122.44 2hgi s LEU 49 Ca 0.30 0.81 -0.04 0.00 -0.22 0.00 0.00 54.13 54.98 2hgi s LEU 49 Cb 0.20 1.15 0.07 0.00 0.50 0.00 0.00 46.19 48.11 2hgi s LEU 49 CO 0.35 -0.21 0.09 -0.75 -1.32 0.00 0.00 176.35 174.52 2hgi s LYS 50 N 1.83 0.21 -0.75 1.98 2.20 -0.50 -5.02 119.74 119.69 2hgi s LYS 50 Ca -0.06 -0.26 -0.07 0.00 -0.36 0.00 0.00 55.97 55.22 2hgi s LYS 50 Cb -0.10 -1.76 0.19 0.00 -1.51 0.00 0.00 37.83 34.65 2hgi s LYS 50 CO -0.11 -0.74 0.62 0.08 -0.36 0.00 0.00 175.35 174.83 2hgi s VAL 51 N 2.07 4.54 -0.48 4.02 1.01 -1.26 -0.91 120.40 129.38 2hgi s VAL 51 Ca 0.03 -2.93 -0.43 0.00 0.00 0.00 0.00 61.98 58.65 2hgi s VAL 51 Cb -0.16 -3.86 -0.19 0.00 0.00 0.00 0.00 36.38 32.17 2hgi s VAL 51 CO -0.15 -0.97 1.89 -0.67 0.00 0.00 0.00 175.10 175.21 2hgi n ASP 52 N 3.47 0.86 0.12 3.32 4.64 -1.26 -4.72 116.55 122.98 2hgi n ASP 52 Ca 0.12 0.81 -0.13 0.00 -1.38 0.00 0.00 54.79 54.21 2hgi n ASP 52 Cb 0.41 -0.86 -0.08 0.00 -1.04 0.00 0.00 41.12 39.55 2hgi n ASP 52 CO 0.00 0.00 0.00 -0.37 -0.82 0.00 0.00 177.20 176.01 2hgi h VAL 53 N 6.11 0.88 0.00 5.18 -1.51 -1.95 -2.84 116.25 122.13 2hgi h VAL 53 Ca -0.20 -0.39 0.00 0.00 -1.23 0.00 0.00 66.70 64.88 2hgi h VAL 53 Cb 1.35 1.11 0.00 0.00 -2.13 0.00 0.00 31.29 31.62 2hgi h VAL 53 CO 1.01 0.09 0.00 1.21 -1.23 0.00 0.00 177.57 178.65 2hgi n GLU 54 N -5.12 0.00 -0.19 5.19 4.07 -1.26 -1.06 120.64 122.28 2hgi n GLU 54 Ca -0.09 0.16 0.06 0.00 -0.06 0.00 0.00 57.16 57.23 2hgi n GLU 54 Cb 0.19 -1.03 0.13 0.00 -0.06 0.00 0.00 31.44 30.67 2hgi n GLU 54 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 2hgi n ARG 55 N -0.73 -0.04 0.00 5.31 5.12 -1.26 0.18 116.66 125.23 2hgi n ARG 55 Ca 0.00 0.80 0.00 0.00 -1.93 0.00 0.00 57.85 56.72 2hgi n ARG 55 Cb 0.00 -1.25 0.00 0.00 -1.16 0.00 0.00 32.46 30.05 2hgi n ARG 55 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2hgi n ALA 56 N -3.54 -0.16 -0.27 7.54 0.00 -1.07 -1.04 120.51 121.96 2hgi n ALA 56 Ca 0.11 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.47 2hgi n ALA 56 Cb 0.36 0.29 -0.07 0.00 0.00 0.00 0.00 19.45 20.02 2hgi n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hgi h ARG 57 N 0.00 -0.03 -0.02 0.00 2.47 0.35 0.24 114.38 117.39 2hgi h ARG 57 Ca 0.00 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2hgi h ARG 57 Cb 0.00 0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 28.32 2hgi h ARG 57 CO 0.00 -0.02 -0.02 -0.92 0.56 0.00 0.00 179.97 179.57 2hgi h TYR 58 N -0.03 -0.05 -0.91 3.04 5.03 -0.53 0.25 116.97 123.77 2hgi h TYR 58 Ca 0.10 0.00 0.14 0.00 2.58 0.00 0.00 58.73 61.55 2hgi h TYR 58 Cb 0.30 0.03 -0.15 0.00 1.55 0.00 0.00 36.73 38.46 2hgi h TYR 58 CO -0.97 -0.01 -0.41 -1.49 -1.32 0.00 0.00 178.16 173.96 2hgi h TRP 59 N -0.00 -1.17 -0.94 -3.82 -0.00 -0.48 1.68 115.95 111.20 2hgi h TRP 59 Ca 0.00 0.10 0.25 0.00 -0.00 0.00 0.00 58.89 59.25 2hgi h TRP 59 Cb 0.01 0.65 -0.18 0.00 -0.00 0.00 0.00 29.16 29.64 2hgi h TRP 59 CO -0.83 -0.40 -0.01 1.28 -0.00 0.00 0.00 178.44 178.48 2hgi n LEU 60 N -5.44 -0.14 0.00 -4.49 4.77 0.73 -2.85 117.00 109.58 2hgi n LEU 60 Ca 0.08 1.60 0.00 0.00 -0.03 0.00 0.00 56.01 57.66 2hgi n LEU 60 Cb 0.38 -0.57 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 2hgi n LEU 60 CO -0.11 -1.61 0.00 -1.54 -1.33 0.00 0.00 177.39 172.80 2hgi n SER 61 N -5.41 0.00 -4.75 -1.43 3.41 0.57 -3.15 113.62 102.85 2hgi n SER 61 Ca 0.21 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.41 2hgi n SER 61 Cb 0.69 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.61 2hgi n SER 61 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2hgi s VAL 62 N 0.00 3.11 0.00 -3.33 -7.23 -1.13 -4.54 120.40 107.27 2hgi s VAL 62 Ca 0.00 1.03 0.00 0.00 -1.81 0.00 0.00 61.98 61.20 2hgi s VAL 62 Cb 0.00 -3.66 0.00 0.00 0.56 0.00 0.00 36.38 33.28 2hgi s VAL 62 CO 0.00 0.21 0.00 0.61 -0.31 0.00 0.00 175.10 175.61 2hgi n GLY 63 N 1.47 0.00 3.52 2.32 0.00 -1.25 -4.83 105.19 106.42 2hgi n GLY 63 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 2hgi n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hgi n ALA 64 N 0.00 0.84 -2.69 4.61 0.00 -1.19 -4.73 120.51 117.35 2hgi n ALA 64 Ca 0.00 -0.57 -0.37 0.00 0.00 0.00 0.00 53.44 52.50 2hgi n ALA 64 Cb 0.00 -2.86 -0.06 0.00 0.00 0.00 0.00 19.45 16.53 2hgi n ALA 64 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2hgi s GLN 65 N 7.86 3.67 0.43 0.00 2.00 -0.58 -4.80 119.66 128.24 2hgi s GLN 65 Ca 1.08 0.12 0.06 0.00 -2.00 0.00 0.00 55.36 54.62 2hgi s GLN 65 Cb -0.55 -3.18 -0.06 0.00 0.80 0.00 0.00 33.01 30.02 2hgi s GLN 65 CO 0.36 0.72 0.01 -1.25 -0.50 0.00 0.00 175.29 174.63 2hgi s PRO 66 N -1.18 1.99 1.06 1.67 0.04 -1.26 -0.75 135.00 136.59 2hgi s PRO 66 Ca 0.21 -2.16 -0.12 0.00 0.04 0.00 0.00 61.00 58.96 2hgi s PRO 66 Cb -0.14 -1.57 0.23 0.00 0.04 0.00 0.00 34.50 33.06 2hgi s PRO 66 CO 0.10 -0.13 1.06 0.99 0.04 0.00 0.00 177.00 179.07 2hgi s THR 67 N -2.78 2.13 -0.04 1.26 2.01 -0.18 -4.71 115.64 113.34 2hgi s THR 67 Ca 0.29 0.04 -0.10 0.00 0.31 0.00 0.00 61.69 62.23 2hgi s THR 67 Cb 0.08 -2.24 -0.06 0.00 0.01 0.00 0.00 72.50 70.30 2hgi s THR 67 CO 0.15 -0.06 0.49 0.44 -0.69 0.00 0.00 174.62 174.95 2hgi h ASP 68 N -2.25 -0.31 -1.19 3.53 5.19 -1.98 0.15 116.42 119.56 2hgi h ASP 68 Ca -0.56 0.01 0.34 0.00 -0.62 0.00 0.00 57.03 56.20 2hgi h ASP 68 Cb 1.32 0.08 -0.06 0.00 0.18 0.00 0.00 39.33 40.84 2hgi h ASP 68 CO 0.51 0.04 0.84 0.71 -3.12 0.00 0.00 179.24 178.22 2hgi h THR 69 N -0.88 0.40 0.02 0.35 1.35 -1.99 1.02 112.91 113.18 2hgi h THR 69 Ca -0.04 -0.03 -0.00 0.00 -0.55 0.00 0.00 66.41 65.79 2hgi h THR 69 Cb 0.28 0.31 -0.00 0.00 -1.73 0.00 0.00 68.15 67.01 2hgi h THR 69 CO 0.06 0.02 -0.02 0.00 -0.25 0.00 0.00 175.52 175.33 2hgi h ALA 70 N 1.45 -0.81 -0.09 6.62 0.00 -1.77 -0.28 119.26 124.38 2hgi h ALA 70 Ca 0.60 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.50 2hgi h ALA 70 Cb 2.18 0.23 0.00 0.00 0.00 0.00 0.00 17.79 20.19 2hgi h ALA 70 CO -0.09 -0.81 0.00 -2.13 0.00 0.00 0.00 179.25 176.23 2hgi n ARG 71 N -2.33 0.00 0.27 0.00 0.63 0.34 -0.68 116.66 114.89 2hgi n ARG 71 Ca -0.00 0.71 0.10 0.00 -0.92 0.00 0.00 57.85 57.74 2hgi n ARG 71 Cb 0.02 -1.08 0.73 0.00 0.45 0.00 0.00 32.46 32.58 2hgi n ARG 71 CO 0.00 0.00 0.00 -0.09 -2.51 0.00 0.00 177.63 175.03 2hgi h ARG 72 N 0.00 0.00 -0.24 -0.14 1.12 -1.11 0.40 114.38 114.41 2hgi h ARG 72 Ca 0.00 0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.86 2hgi h ARG 72 Cb 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 29.95 2hgi h ARG 72 CO 0.00 0.00 0.13 1.25 -3.11 0.00 0.00 179.97 178.24 2hgi h LEU 73 N 0.00 0.31 -0.09 3.80 7.12 0.96 0.30 115.31 127.71 2hgi h LEU 73 Ca -0.00 -0.10 -0.00 0.00 0.13 0.00 0.00 57.88 57.91 2hgi h LEU 73 Cb 0.00 -0.08 -0.00 0.00 -0.53 0.00 0.00 40.66 40.05 2hgi h LEU 73 CO 0.00 0.32 0.05 0.25 -0.13 0.00 0.00 178.44 178.93 2hgi h LEU 74 N 0.27 0.11 -0.11 2.25 6.46 0.16 0.24 115.31 124.68 2hgi h LEU 74 Ca 0.08 -0.10 0.04 0.00 -0.12 0.00 0.00 57.88 57.79 2hgi h LEU 74 Cb 0.09 -0.03 -0.06 0.00 -0.73 0.00 0.00 40.66 39.93 2hgi h LEU 74 CO -0.01 0.18 -0.25 -0.09 -0.62 0.00 0.00 178.44 177.65 2hgi h ARG 75 N 0.04 -0.31 -0.45 1.25 2.43 -0.91 0.19 114.38 116.62 2hgi h ARG 75 Ca 0.03 0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.28 2hgi h ARG 75 Cb 0.09 0.07 -0.09 0.00 -0.42 0.00 0.00 29.97 29.62 2hgi h ARG 75 CO -0.00 -0.21 -0.51 0.37 -1.51 0.00 0.00 179.97 178.11 2hgi h GLN 76 N -0.32 -0.33 -0.96 0.20 -0.00 -0.86 0.53 115.11 113.37 2hgi h GLN 76 Ca 0.10 0.02 0.28 0.00 -0.00 0.00 0.00 58.65 59.05 2hgi h GLN 76 Cb 0.46 0.08 -0.17 0.00 0.00 0.00 0.00 27.48 27.85 2hgi h GLN 76 CO -0.30 -0.22 0.13 0.00 0.00 0.00 0.00 178.83 178.44 2hgi h ALA 77 N 0.19 1.30 0.00 3.38 0.00 0.16 -3.45 119.26 120.84 2hgi h ALA 77 Ca 0.11 0.31 0.00 0.00 0.00 0.00 0.00 54.91 55.32 2hgi h ALA 77 Cb 0.59 0.50 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2hgi h ALA 77 CO -0.62 -0.60 0.00 0.41 0.00 0.00 0.00 179.25 178.45 2hgi n GLY 78 N -1.44 0.76 0.00 0.00 0.00 0.19 -4.98 105.19 99.72 2hgi n GLY 78 Ca 0.24 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.58 2hgi n GLY 78 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2hgi n VAL 79 N 0.00 0.00 0.06 1.61 0.31 -1.18 -4.86 118.33 114.27 2hgi n VAL 79 Ca 0.00 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.34 2hgi n VAL 79 Cb 0.00 0.46 -0.01 0.00 -0.91 0.00 0.00 33.84 33.38 2hgi n VAL 79 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 2hgi n PHE 80 N 0.00 0.00 -2.75 3.52 -0.00 -1.26 -4.88 117.46 112.08 2hgi n PHE 80 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 57.45 57.02 2hgi n PHE 80 Cb 0.33 0.00 -0.01 0.00 -0.00 0.00 0.00 39.48 39.80 2hgi n PHE 80 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 176.76 177.26 2hgi s ARG 81 N -0.99 3.83 0.36 -4.13 3.52 -1.26 -4.93 118.95 115.35 2hgi s ARG 81 Ca 0.01 -1.88 0.21 0.00 -0.13 0.00 0.00 55.73 53.94 2hgi s ARG 81 Cb 0.01 -5.22 1.31 0.00 -1.56 0.00 0.00 34.95 29.49 2hgi s ARG 81 CO 0.05 -2.00 1.52 0.00 -0.81 0.00 0.00 175.30 174.05 2hgi n GLN 82 N 7.35 -0.06 -0.12 5.12 10.64 -1.26 -5.16 117.38 133.90 2hgi n GLN 82 Ca 0.36 1.32 0.00 0.00 -1.83 0.00 0.00 57.00 56.85 2hgi n GLN 82 Cb 0.47 -2.38 0.00 0.00 -0.86 0.00 0.00 30.24 27.47 2hgi n GLN 82 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62