#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgq s LYS 2 N 0.00 1.55 -0.30 2.12 1.02 -1.25 -0.91 119.74 121.97 2hgq s LYS 2 Ca 0.00 -1.58 -0.19 0.00 0.02 0.00 0.00 55.97 54.22 2hgq s LYS 2 Cb 0.00 0.38 0.20 0.00 -0.52 0.00 0.00 37.83 37.89 2hgq s LYS 2 CO 0.00 -0.60 1.29 0.08 -0.92 0.00 0.00 175.35 175.20 2hgq s VAL 3 N -3.76 -0.04 -0.47 3.17 1.01 -0.23 -4.89 120.40 115.19 2hgq s VAL 3 Ca 0.32 0.00 -0.07 0.00 0.00 0.00 0.00 61.98 62.22 2hgq s VAL 3 Cb 0.02 -1.00 -0.07 0.00 0.00 0.00 0.00 36.38 35.33 2hgq s VAL 3 CO 0.15 0.00 1.62 0.54 0.00 0.00 0.00 175.10 177.41 2hgq n ARG 4 N 4.19 1.05 -1.60 2.72 1.74 -1.26 -4.18 116.66 119.32 2hgq n ARG 4 Ca -0.09 -1.09 0.00 0.00 -0.77 0.00 0.00 57.85 55.90 2hgq n ARG 4 Cb 0.56 -2.33 0.00 0.00 -1.02 0.00 0.00 32.46 29.67 2hgq n ARG 4 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2hgq n ALA 5 N 5.24 0.00 -0.87 7.54 0.00 -1.26 -5.10 120.51 126.06 2hgq n ALA 5 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.72 2hgq n ALA 5 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.58 2hgq n ALA 5 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2hgq n SER 6 N 0.00 0.00 -2.97 0.00 7.64 -1.26 -4.86 113.62 112.17 2hgq n SER 6 Ca 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.87 2hgq n SER 6 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 2hgq n SER 6 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2hgq n VAL 7 N 0.00 -3.45 -2.66 0.44 0.31 -1.26 -4.97 118.33 106.75 2hgq n VAL 7 Ca 0.00 0.58 -0.14 0.00 -0.01 0.00 0.00 64.34 64.77 2hgq n VAL 7 Cb 0.00 -3.32 0.02 0.00 -0.91 0.00 0.00 33.84 29.62 2hgq n VAL 7 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 2hgq n LYS 8 N 2.37 1.68 0.00 5.55 4.01 -1.26 -5.11 118.16 125.40 2hgq n LYS 8 Ca -0.09 -3.57 0.00 0.00 -0.51 0.00 0.00 58.31 54.14 2hgq n LYS 8 Cb 0.14 -1.51 0.00 0.00 -0.51 0.00 0.00 35.03 33.14 2hgq n LYS 8 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 2hgq n ARG 9 N -0.14 0.00 0.04 1.97 1.74 -1.26 -5.01 116.66 114.01 2hgq n ARG 9 Ca 0.17 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.25 2hgq n ARG 9 Cb 0.77 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.21 2hgq n ARG 9 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 2hgq n ILE 10 N -0.05 0.00 0.00 0.55 -6.64 -1.26 -4.99 119.36 106.97 2hgq n ILE 10 Ca 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 60.98 2hgq n ILE 10 Cb 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 39.64 38.20 2hgq n ILE 10 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2hgq n ASP 12 N 1.66 0.00 -1.03 0.00 -0.08 -1.26 -3.75 116.55 112.10 2hgq n ASP 12 Ca 0.00 0.00 -0.01 0.00 -1.51 0.00 0.00 54.79 53.27 2hgq n ASP 12 Cb 0.00 -0.50 -0.02 0.00 2.34 0.00 0.00 41.12 42.94 2hgq n ASP 12 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2hgq n LYS 13 N -1.00 0.00 -1.77 -0.67 5.02 -1.26 -5.10 118.16 113.37 2hgq n LYS 13 Ca 0.00 -1.20 -0.42 0.00 -2.02 0.00 0.00 58.31 54.67 2hgq n LYS 13 Cb 0.00 0.11 -0.03 0.00 -0.02 0.00 0.00 35.03 35.09 2hgq n LYS 13 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2hgq s LYS 15 N 2.59 4.53 -1.01 0.00 1.02 0.05 -4.59 119.74 122.33 2hgq s LYS 15 Ca 0.79 1.37 -0.21 0.00 0.02 0.00 0.00 55.97 57.94 2hgq s LYS 15 Cb -0.45 -3.47 0.09 0.00 -0.52 0.00 0.00 37.83 33.48 2hgq s LYS 15 CO 0.35 -0.07 1.34 0.54 -0.92 0.00 0.00 175.35 176.58 2hgq s VAL 16 N 1.12 4.30 -0.21 3.17 0.11 -1.26 -0.84 120.40 126.79 2hgq s VAL 16 Ca 0.50 -1.23 -0.15 0.00 -2.93 0.00 0.00 61.98 58.17 2hgq s VAL 16 Cb -0.20 -4.95 -0.04 0.00 -1.53 0.00 0.00 36.38 29.65 2hgq s VAL 16 CO 0.26 -1.76 0.35 -0.63 -3.33 0.00 0.00 175.10 169.99 2hgq s ILE 17 N 3.88 5.23 -0.48 7.04 1.01 -0.03 -4.99 121.20 132.86 2hgq s ILE 17 Ca 0.41 0.60 -0.25 0.00 0.00 0.00 0.00 60.65 61.41 2hgq s ILE 17 Cb -0.02 -3.68 0.03 0.00 0.01 0.00 0.00 42.46 38.80 2hgq s ILE 17 CO -0.08 0.27 0.90 -0.13 0.00 0.00 0.00 174.94 175.90 2hgq s ARG 18 N 1.29 3.47 -0.24 2.79 0.52 -1.26 -1.31 118.95 124.21 2hgq s ARG 18 Ca 0.17 0.03 -0.03 0.00 -0.52 0.00 0.00 55.73 55.38 2hgq s ARG 18 Cb -0.14 -3.95 0.13 0.00 0.52 0.00 0.00 34.95 31.50 2hgq s ARG 18 CO 0.07 -1.26 0.37 -0.98 0.02 0.00 0.00 175.30 173.53 2hgq s ARG 19 N 3.72 0.34 -1.26 3.54 1.70 -0.40 -4.97 118.95 121.61 2hgq s ARG 19 Ca 0.35 0.55 -0.01 0.00 -0.47 0.00 0.00 55.73 56.15 2hgq s ARG 19 Cb -0.11 -0.46 -0.00 0.00 -0.57 0.00 0.00 34.95 33.81 2hgq s ARG 19 CO 0.24 -0.61 0.80 0.72 -1.08 0.00 0.00 175.30 175.37 2hgq n HIS 20 N 5.36 -2.02 -0.47 5.89 8.25 -1.26 -0.32 115.22 130.65 2hgq n HIS 20 Ca -0.04 0.86 0.00 0.00 -0.26 0.00 0.00 57.72 58.28 2hgq n HIS 20 Cb 0.50 -4.57 0.00 0.00 1.12 0.00 0.00 29.99 27.04 2hgq n HIS 20 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2hgq n GLY 21 N -1.43 0.00 3.57 -1.41 0.00 -1.26 -4.78 105.19 99.88 2hgq n GLY 21 Ca -0.28 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.31 2hgq n GLY 21 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2hgq s ARG 22 N -0.94 3.54 -0.93 1.61 1.81 0.56 -4.80 118.95 119.80 2hgq s ARG 22 Ca 0.00 0.19 -0.22 0.00 -1.72 0.00 0.00 55.73 53.97 2hgq s ARG 22 Cb 0.00 -3.94 0.07 0.00 -0.45 0.00 0.00 34.95 30.63 2hgq s ARG 22 CO 0.00 -1.27 1.30 0.08 -0.68 0.00 0.00 175.30 174.73 2hgq s VAL 23 N 3.89 4.13 -0.17 3.52 1.01 -1.26 -1.27 120.40 130.25 2hgq s VAL 23 Ca 0.38 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.60 2hgq s VAL 23 Cb -0.10 -4.94 0.03 0.00 0.00 0.00 0.00 36.38 31.38 2hgq s VAL 23 CO 0.27 -1.78 -0.13 -0.31 0.00 0.00 0.00 175.10 173.15 2hgq s TYR 24 N 4.42 2.32 -0.14 5.22 1.51 -0.42 -1.35 117.35 128.91 2hgq s TYR 24 Ca 0.39 -1.42 -0.16 0.00 -1.01 0.00 0.00 57.07 54.87 2hgq s TYR 24 Cb -0.04 -1.64 -0.04 0.00 -0.11 0.00 0.00 41.96 40.13 2hgq s TYR 24 CO -0.05 -0.71 0.38 0.08 -1.11 0.00 0.00 175.55 174.15 2hgq s VAL 25 N 1.43 5.25 -0.08 0.71 1.01 0.10 -0.85 120.40 127.97 2hgq s VAL 25 Ca 0.02 0.75 0.03 0.00 0.00 0.00 0.00 61.98 62.77 2hgq s VAL 25 Cb -0.14 -3.72 -0.02 0.00 0.00 0.00 0.00 36.38 32.49 2hgq s VAL 25 CO -0.10 0.35 -0.15 -0.63 0.00 0.00 0.00 175.10 174.57 2hgq s ILE 26 N 0.58 2.93 0.00 2.22 1.01 -0.02 -1.51 121.20 126.42 2hgq s ILE 26 Ca 0.21 -0.75 0.00 0.00 0.00 0.00 0.00 60.65 60.11 2hgq s ILE 26 Cb -0.14 -2.17 0.00 0.00 0.01 0.00 0.00 42.46 40.16 2hgq s ILE 26 CO 0.07 0.57 0.00 0.00 0.00 0.00 0.00 174.94 175.58 2hgq n GLU 28 N 0.00 2.58 0.00 0.00 1.02 -1.26 -4.87 120.64 118.11 2hgq n GLU 28 Ca 0.00 -4.63 0.00 0.00 -0.02 0.00 0.00 57.16 52.51 2hgq n GLU 28 Cb 0.00 -2.29 0.00 0.00 -0.02 0.00 0.00 31.44 29.13 2hgq n GLU 28 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2hgq n ASN 29 N 1.12 0.00 -0.42 1.62 2.85 -1.26 -5.02 115.26 114.15 2hgq n ASN 29 Ca 0.28 0.00 0.34 0.00 -0.11 0.00 0.00 54.58 55.09 2hgq n ASN 29 Cb 0.39 0.00 0.64 0.00 1.24 0.00 0.00 39.78 42.05 2hgq n ASN 29 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2hgq h PRO 30 N 0.00 0.14 -0.58 1.20 0.13 -2.02 0.19 132.00 131.06 2hgq h PRO 30 Ca 0.00 -0.01 0.17 0.00 -0.87 0.00 0.00 66.00 65.29 2hgq h PRO 30 Cb 0.00 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 31.07 2hgq h PRO 30 CO 0.00 0.10 0.80 0.87 -0.23 0.00 0.00 178.00 179.54 2hgq h LYS 31 N 0.15 0.00 -0.09 0.86 1.79 -1.99 0.04 116.57 117.33 2hgq h LYS 31 Ca 0.75 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.22 2hgq h LYS 31 Cb 2.36 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 33.01 2hgq h LYS 31 CO -0.32 0.00 0.00 0.72 -1.08 0.00 0.00 179.45 178.77 2hgq n HIS 32 N -3.31 0.09 -1.50 -1.35 8.25 0.66 -4.91 115.22 113.14 2hgq n HIS 32 Ca 0.12 -0.05 -0.26 0.00 -0.26 0.00 0.00 57.72 57.27 2hgq n HIS 32 Cb 1.00 -0.00 -0.21 0.00 1.12 0.00 0.00 29.99 31.90 2hgq n HIS 32 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2hgq n LYS 33 N 1.30 0.00 -3.35 -0.41 4.76 0.00 -4.75 118.16 115.71 2hgq n LYS 33 Ca 0.14 -0.00 -0.45 0.00 -2.87 0.00 0.00 58.31 55.13 2hgq n LYS 33 Cb 0.57 -1.12 -0.01 0.00 -1.84 0.00 0.00 35.03 32.63 2hgq n LYS 33 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 2hgq s GLN 34 N 7.46 4.00 -0.50 1.97 -0.21 -0.57 -1.99 119.66 129.83 2hgq s GLN 34 Ca 1.33 -3.01 -0.18 0.00 0.02 0.00 0.00 55.36 53.52 2hgq s GLN 34 Cb -0.94 -4.50 0.06 0.00 1.00 0.00 0.00 33.01 28.63 2hgq s GLN 34 CO 0.55 -1.25 0.56 1.03 -2.12 0.00 0.00 175.29 174.06 2hgq s ARG 35 N -0.86 3.09 -0.33 2.91 0.52 -0.08 -0.73 118.95 123.46 2hgq s ARG 35 Ca 0.27 -1.00 0.11 0.00 -0.52 0.00 0.00 55.73 54.59 2hgq s ARG 35 Cb -0.10 -4.10 0.46 0.00 0.52 0.00 0.00 34.95 31.73 2hgq s ARG 35 CO -0.08 -1.16 1.12 0.00 0.02 0.00 0.00 175.30 175.19 2hgq n GLN 36 N 5.91 2.85 0.00 3.54 10.64 -0.46 -1.07 117.38 138.79 2hgq n GLN 36 Ca -0.08 -4.01 0.04 0.00 -1.83 0.00 0.00 57.00 51.12 2hgq n GLN 36 Cb 0.45 -1.99 0.03 0.00 -0.86 0.00 0.00 30.24 27.87 2hgq n GLN 36 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64