#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hgq s ILE 7 N 0.00 1.79 -0.52 0.55 1.01 -1.26 -4.56 121.20 118.21 2hgq s ILE 7 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60.65 60.65 2hgq s ILE 7 Cb 0.00 -2.26 0.00 0.00 0.01 0.00 0.00 42.46 40.21 2hgq s ILE 7 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 174.94 175.23 2hgq n LYS 8 N -4.85 0.00 -4.01 2.79 4.76 -1.26 -3.41 118.16 112.18 2hgq n LYS 8 Ca 0.07 0.00 -0.31 0.00 -2.87 0.00 0.00 58.31 55.19 2hgq n LYS 8 Cb 0.57 -0.95 -0.15 0.00 -1.84 0.00 0.00 35.03 32.66 2hgq n LYS 8 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2hgq s LEU 9 N -0.24 3.74 0.08 -0.35 2.01 -1.26 -0.99 118.68 121.65 2hgq s LEU 9 Ca 0.00 -1.66 0.06 0.00 0.01 0.00 0.00 54.13 52.55 2hgq s LEU 9 Cb 0.00 -1.48 -0.03 0.00 0.01 0.00 0.00 46.19 44.69 2hgq s LEU 9 CO 0.00 -0.28 -0.17 -0.76 1.01 0.00 0.00 176.35 176.15 2hgq s LEU 10 N 1.10 2.26 -0.26 1.79 1.43 0.49 -2.73 118.68 122.77 2hgq s LEU 10 Ca -0.00 -0.61 -0.11 0.00 -1.03 0.00 0.00 54.13 52.38 2hgq s LEU 10 Cb -0.19 -0.71 -0.05 0.00 0.03 0.00 0.00 46.19 45.27 2hgq s LEU 10 CO -0.07 0.01 0.19 -1.48 0.23 0.00 0.00 176.35 175.23 2hgq s LEU 11 N -1.66 4.08 0.00 1.79 0.05 -1.26 -1.22 118.68 120.45 2hgq s LEU 11 Ca 0.03 0.08 0.00 0.00 0.05 0.00 0.00 54.13 54.29 2hgq s LEU 11 Cb -0.10 -2.14 -0.00 0.00 -2.05 0.00 0.00 46.19 41.91 2hgq s LEU 11 CO 0.03 0.01 0.00 1.21 -0.55 0.00 0.00 176.35 177.04 2hgq n GLU 12 N 4.64 1.81 -3.55 1.48 2.13 0.44 -4.96 120.64 122.62 2hgq n GLU 12 Ca -0.14 -0.19 -0.08 0.00 0.66 0.00 0.00 57.16 57.41 2hgq n GLU 12 Cb 0.52 0.06 -0.03 0.00 0.27 0.00 0.00 31.44 32.26 2hgq n GLU 12 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2hgq s THR 14 N -2.23 5.07 0.11 0.00 -4.23 -0.15 -3.75 115.64 110.46 2hgq s THR 14 Ca 0.04 0.75 0.05 0.00 -1.18 0.00 0.00 61.69 61.34 2hgq s THR 14 Cb -0.01 -3.68 -0.04 0.00 1.34 0.00 0.00 72.50 70.11 2hgq s THR 14 CO -0.05 0.55 -0.12 -0.70 -0.54 0.00 0.00 174.62 173.76 2hgq s GLU 15 N -1.18 0.92 -0.00 3.99 2.56 -0.09 0.14 118.70 125.03 2hgq s GLU 15 Ca 0.24 -1.17 0.06 0.00 0.00 0.00 0.00 54.97 54.10 2hgq s GLU 15 Cb -0.16 -0.73 -0.02 0.00 2.00 0.00 0.00 34.13 35.23 2hgq s GLU 15 CO 0.13 0.13 -0.18 0.00 -0.56 0.00 0.00 175.26 174.79 2hgq n LYS 17 N 2.52 0.00 -0.25 0.00 4.76 -0.16 -0.72 118.16 124.31 2hgq n LYS 17 Ca -0.15 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.29 2hgq n LYS 17 Cb 0.54 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.73 2hgq n LYS 17 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2hgq n ARG 18 N 0.00 0.00 -3.49 1.97 5.12 -1.26 -4.76 116.66 114.25 2hgq n ARG 18 Ca 0.00 0.00 -0.30 0.00 -1.93 0.00 0.00 57.85 55.62 2hgq n ARG 18 Cb 0.00 -3.09 -0.08 0.00 -1.16 0.00 0.00 32.46 28.13 2hgq n ARG 18 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 2hgq n ARG 19 N -0.99 2.65 0.00 5.56 0.00 0.10 -5.02 116.66 118.97 2hgq n ARG 19 Ca 0.00 -4.61 0.00 0.00 -0.00 0.00 0.00 57.85 53.24 2hgq n ARG 19 Cb 0.00 -2.31 0.00 0.00 -0.00 0.00 0.00 32.46 30.15 2hgq n ARG 19 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 2hgq n ASN 20 N 1.27 0.00 -3.60 2.89 3.02 -1.25 -4.45 115.26 113.14 2hgq n ASN 20 Ca 0.27 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.81 2hgq n ASN 20 Cb 0.38 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.49 2hgq n ASN 20 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 2hgq s TYR 21 N -0.40 -0.50 -0.07 3.10 1.13 -1.26 -2.44 117.35 116.90 2hgq s TYR 21 Ca 0.00 0.97 0.16 0.00 -1.41 0.00 0.00 57.07 56.79 2hgq s TYR 21 Cb 0.00 0.30 -0.24 0.00 -1.10 0.00 0.00 41.96 40.92 2hgq s TYR 21 CO 0.00 -0.25 0.27 0.00 -2.51 0.00 0.00 175.55 173.06 2hgq n ALA 22 N 3.82 2.29 0.00 9.51 0.00 0.37 -4.89 120.51 131.60 2hgq n ALA 22 Ca -0.17 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.65 2hgq n ALA 22 Cb 0.57 -0.42 0.00 0.00 0.00 0.00 0.00 19.45 19.60 2hgq n ALA 22 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2hgq n THR 23 N -2.26 0.00 -1.08 0.00 -2.24 -0.57 -4.90 114.28 103.23 2hgq n THR 23 Ca -0.11 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.64 2hgq n THR 23 Cb 0.64 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.86 2hgq n THR 23 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2hgq n GLU 24 N 0.00 -1.20 0.00 -0.78 1.02 -1.26 -0.97 120.64 117.44 2hgq n GLU 24 Ca 0.00 0.45 0.00 0.00 -0.02 0.00 0.00 57.16 57.59 2hgq n GLU 24 Cb 0.00 -4.43 0.00 0.00 -0.02 0.00 0.00 31.44 26.99 2hgq n GLU 24 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2hgq n LYS 25 N -0.89 0.00 0.00 3.49 4.81 -0.37 -4.98 118.16 120.22 2hgq n LYS 25 Ca -0.03 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.41 2hgq n LYS 25 Cb 0.34 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.39 2hgq n LYS 25 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2hgq n ASN 26 N 9.01 0.00 0.00 3.14 3.02 -1.26 -0.42 115.26 128.74 2hgq n ASN 26 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2hgq n ASN 26 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 2hgq n ASN 26 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2hgq n LYS 27 N 0.00 0.00 0.00 3.52 5.02 -0.36 -4.99 118.16 121.35 2hgq n LYS 27 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2hgq n LYS 27 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2hgq n LYS 27 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2hgq n ARG 28 N 0.00 0.00 0.00 1.97 3.00 -0.83 -0.38 116.66 120.42 2hgq n ARG 28 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2hgq n ARG 28 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 2hgq n ARG 28 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 2hgq n ASN 29 N 0.00 0.00 0.00 6.15 0.23 -0.17 -2.89 115.26 118.59 2hgq n ASN 29 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 2hgq n ASN 29 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 2hgq n ASN 29 CO 0.00 0.00 0.00 0.41 -0.93 0.00 0.00 177.26 176.74 2hgq n THR 30 N 0.00 0.00 0.00 5.53 -1.04 -1.26 -1.17 114.28 116.34 2hgq n THR 30 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2hgq n THR 30 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2hgq n THR 30 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 2hgq n PRO 31 N 0.00 0.00 0.00 -2.82 -0.02 -1.26 -4.82 135.00 126.07 2hgq n PRO 31 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 2hgq n PRO 31 Cb 0.00 -0.91 0.00 0.00 -0.02 0.00 0.00 33.50 32.57 2hgq n PRO 31 CO 0.00 0.00 0.00 0.27 1.98 0.00 0.00 175.50 177.75 2hgq n ASN 32 N 0.71 0.00 0.03 2.55 2.04 -0.32 -2.65 115.26 117.63 2hgq n ASN 32 Ca 0.00 0.00 -0.13 0.00 -0.44 0.00 0.00 54.58 54.01 2hgq n ASN 32 Cb 0.00 0.00 -0.07 0.00 -2.53 0.00 0.00 39.78 37.18 2hgq n ASN 32 CO 0.00 0.00 0.00 0.50 -0.44 0.00 0.00 177.26 177.32 2hgq h LYS 33 N 0.00 -0.54 0.00 -3.83 3.64 -1.88 -3.44 116.57 110.52 2hgq h LYS 33 Ca 0.00 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2hgq h LYS 33 Cb 0.00 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 2hgq h LYS 33 CO 0.00 -0.36 0.00 1.28 -2.27 0.00 0.00 179.45 178.10 2hgq n LEU 34 N -5.45 0.00 -1.35 5.20 4.77 -1.08 -4.79 117.00 114.30 2hgq n LEU 34 Ca -0.05 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.94 2hgq n LEU 34 Cb 0.37 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.46 2hgq n LEU 34 CO 0.14 0.00 0.14 -1.84 -1.33 0.00 0.00 177.39 174.50 2hgq n GLU 35 N 0.00 0.00 0.00 3.23 0.28 -1.26 -5.01 120.64 117.88 2hgq n GLU 35 Ca 0.00 -1.70 0.00 0.00 -0.16 0.00 0.00 57.16 55.30 2hgq n GLU 35 Cb 0.00 0.14 0.00 0.00 1.43 0.00 0.00 31.44 33.01 2hgq n GLU 35 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 2hgq n LEU 36 N 0.35 0.00 0.00 -1.84 4.77 -1.26 -1.09 117.00 117.93 2hgq n LEU 36 Ca -0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 2hgq n LEU 36 Cb 1.02 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.11 2hgq n LEU 36 CO -0.07 0.00 0.00 0.54 -1.33 0.00 0.00 177.39 176.53 2hgq n ARG 37 N 0.00 0.00 0.00 3.23 1.74 -1.23 -1.52 116.66 118.89 2hgq n ARG 37 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2hgq n ARG 37 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 2hgq n ARG 37 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 2hgq n LYS 38 N 0.00 0.00 0.00 5.56 0.00 0.12 -5.03 118.16 118.81 2hgq n LYS 38 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 2hgq n LYS 38 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 2hgq n LYS 38 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.40 178.38 2hgq n TYR 39 N 0.00 0.00 -1.22 5.64 9.36 -1.25 -1.10 117.16 128.59 2hgq n TYR 39 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 2hgq n TYR 39 Cb 0.00 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.71 2hgq n TYR 39 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2hgq n PRO 41 N 0.46 0.64 -0.15 0.00 -0.04 -0.19 -4.93 135.00 130.79 2hgq n PRO 41 Ca 0.00 -0.14 0.09 0.00 -0.04 0.00 0.00 63.50 63.40 2hgq n PRO 41 Cb 0.00 -0.03 0.27 0.00 -0.04 0.00 0.00 33.50 33.70 2hgq n PRO 41 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2hgq n TRP 42 N -1.40 0.39 -2.33 0.54 4.27 -1.26 -3.94 117.44 113.70 2hgq n TRP 42 Ca 0.01 -0.19 -0.41 0.00 -3.89 0.00 0.00 57.50 53.01 2hgq n TRP 42 Cb 0.03 0.00 -0.03 0.00 -1.36 0.00 0.00 31.31 29.95 2hgq n TRP 42 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2hgq n ARG 44 N 2.54 0.00 -3.79 0.00 3.00 -1.26 -3.36 116.66 113.79 2hgq n ARG 44 Ca 0.05 0.00 -0.34 0.00 -0.01 0.00 0.00 57.85 57.54 2hgq n ARG 44 Cb 0.44 0.00 -0.11 0.00 0.00 0.00 0.00 32.46 32.79 2hgq n ARG 44 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2hgq s LYS 45 N 0.00 2.40 0.36 5.56 -0.14 -1.26 -4.90 119.74 121.76 2hgq s LYS 45 Ca 0.00 -2.60 0.00 0.00 -1.36 0.00 0.00 55.97 52.01 2hgq s LYS 45 Cb 0.00 -3.61 0.00 0.00 -1.68 0.00 0.00 37.83 32.54 2hgq s LYS 45 CO 0.00 -1.16 0.00 1.58 -0.76 0.00 0.00 175.35 175.01 2hgq n HIS 46 N 3.31 0.00 -1.40 3.18 -0.00 -1.21 -5.04 115.22 114.05 2hgq n HIS 46 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.79 2hgq n HIS 46 Cb 0.36 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.35 2hgq n HIS 46 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.34 176.59 2hgq n THR 47 N 0.00 -2.85 0.00 3.57 -2.24 -1.26 -1.02 114.28 110.47 2hgq n THR 47 Ca 0.00 1.40 0.00 0.00 -2.27 0.00 0.00 64.05 63.18 2hgq n THR 47 Cb 0.00 -2.25 0.00 0.00 -2.10 0.00 0.00 70.33 65.98 2hgq n THR 47 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 2hgq n VAL 48 N -2.30 0.00 0.00 2.28 3.14 -1.26 -3.03 118.33 117.16 2hgq n VAL 48 Ca 0.00 1.11 0.00 0.00 -2.96 0.00 0.00 64.34 62.49 2hgq n VAL 48 Cb 0.38 -1.62 0.00 0.00 -1.06 0.00 0.00 33.84 31.53 2hgq n VAL 48 CO 0.00 0.00 0.00 1.57 -6.46 0.00 0.00 176.83 171.94 2hgq n HIS 49 N -1.42 0.00 0.00 1.45 -0.00 -1.26 -0.95 115.22 113.05 2hgq n HIS 49 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2hgq n HIS 49 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 2hgq n HIS 49 CO 0.00 0.00 0.00 -2.13 0.46 0.00 0.00 176.34 174.67 2hgq n ARG 50 N 0.00 0.00 0.00 1.57 0.63 -0.26 -0.99 116.66 117.61 2hgq n ARG 50 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2hgq n ARG 50 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 2hgq n ARG 50 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 2hgq n GLU 51 N 0.00 0.00 0.00 -0.14 0.00 -0.39 -0.70 120.64 119.41 2hgq n GLU 51 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 2hgq n GLU 51 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.44 2hgq n GLU 51 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 2hgq n VAL 52 N 0.00 0.00 -1.85 6.31 0.31 -0.25 -0.91 118.33 121.94 2hgq n VAL 52 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2hgq n VAL 52 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2hgq n VAL 52 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2hgq n LYS 53 N 1.02 0.00 0.00 5.55 3.00 -1.25 -4.10 118.16 122.38 2hgq n LYS 53 Ca 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 58.31 58.45 2hgq n LYS 53 Cb 0.00 -0.49 0.43 0.00 0.00 0.00 0.00 35.03 34.97 2hgq n LYS 53 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.40 178.91