#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3df4 n ILE 4 N 0.00 0.00 -2.86 -0.61 -5.35 -1.26 -4.73 119.36 104.55 3df4 n ILE 4 Ca 0.00 0.00 -0.30 0.00 -0.27 0.00 0.00 62.75 62.18 3df4 n ILE 4 Cb 0.00 -0.32 -0.02 0.00 -1.74 0.00 0.00 39.64 37.55 3df4 n ILE 4 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 3df4 n ARG 5 N -0.98 3.78 -1.31 6.28 5.12 -1.26 -4.40 116.66 123.89 3df4 n ARG 5 Ca 0.00 -4.81 -0.40 0.00 -1.93 0.00 0.00 57.85 50.70 3df4 n ARG 5 Cb 0.00 -2.30 0.01 0.00 -1.16 0.00 0.00 32.46 29.01 3df4 n ARG 5 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 3df4 n GLU 6 N -0.21 0.11 -2.45 5.56 4.71 -1.24 -4.35 120.64 122.78 3df4 n GLU 6 Ca 0.35 0.04 -0.38 0.00 -0.01 0.00 0.00 57.16 57.16 3df4 n GLU 6 Cb 0.36 -1.13 -0.03 0.00 -1.01 0.00 0.00 31.44 29.63 3df4 n GLU 6 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 3df4 s LYS 7 N -1.17 4.22 -0.01 3.49 1.02 -1.26 -2.98 119.74 123.06 3df4 s LYS 7 Ca 0.60 1.68 0.01 0.00 0.02 0.00 0.00 55.97 58.28 3df4 s LYS 7 Cb -0.56 -2.72 0.00 0.00 -0.52 0.00 0.00 37.83 34.03 3df4 s LYS 7 CO 0.63 -0.13 -0.03 0.42 -0.92 0.00 0.00 175.35 175.32 3df4 s ILE 8 N -1.47 0.26 -0.15 2.17 -1.09 0.23 -4.93 121.20 116.22 3df4 s ILE 8 Ca 0.55 -0.12 -0.03 0.00 -2.23 0.00 0.00 60.65 58.82 3df4 s ILE 8 Cb -0.27 -0.24 -0.02 0.00 -1.58 0.00 0.00 42.46 40.35 3df4 s ILE 8 CO 0.34 0.09 -0.07 -1.59 -1.23 0.00 0.00 174.94 172.48 3df4 s LYS 9 N 0.06 3.56 -0.37 2.79 0.00 -1.26 -0.16 119.74 124.36 3df4 s LYS 9 Ca -0.00 -0.58 -0.20 0.00 0.00 0.00 0.00 55.97 55.19 3df4 s LYS 9 Cb -0.03 -2.83 0.01 0.00 0.00 0.00 0.00 37.83 34.97 3df4 s LYS 9 CO -0.00 0.20 0.61 -0.51 0.00 0.00 0.00 175.35 175.65 3df4 s LEU 10 N 0.43 4.32 0.24 2.77 1.02 -0.90 -4.63 118.68 121.94 3df4 s LEU 10 Ca -0.06 0.01 -0.20 0.00 0.02 0.00 0.00 54.13 53.91 3df4 s LEU 10 Cb -0.15 -2.73 -0.08 0.00 0.02 0.00 0.00 46.19 43.25 3df4 s LEU 10 CO 0.04 -0.60 0.75 -0.69 0.02 0.00 0.00 176.35 175.86 3df4 s VAL 11 N 2.66 4.54 -0.09 -1.59 1.01 -0.73 -0.79 120.40 125.41 3df4 s VAL 11 Ca 0.23 1.31 -0.30 0.00 0.00 0.00 0.00 61.98 63.23 3df4 s VAL 11 Cb -0.15 -3.85 -0.02 0.00 0.00 0.00 0.00 36.38 32.36 3df4 s VAL 11 CO 0.15 0.16 1.07 -0.55 0.00 0.00 0.00 175.10 175.94 3df4 s SER 12 N -1.70 7.18 0.49 3.32 0.15 -1.20 -2.02 113.70 119.90 3df4 s SER 12 Ca 0.45 1.62 0.15 0.00 0.70 0.00 0.00 55.95 58.87 3df4 s SER 12 Cb -0.16 -2.56 1.16 0.00 -1.71 0.00 0.00 66.02 62.75 3df4 s SER 12 CO 0.21 -0.50 2.09 0.77 1.20 0.00 0.00 173.24 177.01 3df4 h SER 13 N 7.22 0.15 -3.93 5.45 4.64 -0.90 -3.42 113.55 122.77 3df4 h SER 13 Ca -0.32 -0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.46 3df4 h SER 13 Cb 1.15 -0.04 0.18 0.00 -0.31 0.00 0.00 62.40 63.39 3df4 h SER 13 CO 0.87 0.11 0.15 0.00 -0.87 0.00 0.00 176.83 177.08 3df4 n ALA 14 N -2.53 -0.35 -0.46 5.18 0.00 -1.26 -4.77 120.51 116.31 3df4 n ALA 14 Ca 0.01 -0.29 -0.05 0.00 0.00 0.00 0.00 53.44 53.12 3df4 n ALA 14 Cb 0.18 -2.15 -0.07 0.00 0.00 0.00 0.00 19.45 17.41 3df4 n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3df4 n GLY 15 N 0.89 1.93 3.42 0.00 0.00 -1.26 -4.77 105.19 105.40 3df4 n GLY 15 Ca 0.13 -0.51 -0.21 0.00 0.00 0.00 0.00 46.02 45.43 3df4 n GLY 15 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3df4 s THR 16 N 1.80 1.36 -1.06 2.61 -1.32 -1.26 -5.06 115.64 112.72 3df4 s THR 16 Ca 0.28 -2.05 0.23 0.00 -1.21 0.00 0.00 61.69 58.94 3df4 s THR 16 Cb 0.13 -2.57 -0.08 0.00 -1.51 0.00 0.00 72.50 68.47 3df4 s THR 16 CO 0.00 -0.18 1.21 0.61 -2.21 0.00 0.00 174.62 174.04 3df4 n GLY 17 N -0.60 -1.09 3.43 6.08 0.00 -1.26 -4.70 105.19 107.05 3df4 n GLY 17 Ca -0.04 -0.46 -0.32 0.00 0.00 0.00 0.00 46.02 45.20 3df4 n GLY 17 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3df4 n HIS 18 N -1.43 -1.01 -3.77 1.61 -0.00 -1.26 -4.88 115.22 104.48 3df4 n HIS 18 Ca 0.05 0.19 0.00 0.00 -0.00 0.00 0.00 57.72 57.97 3df4 n HIS 18 Cb 0.34 -1.76 0.00 0.00 -0.00 0.00 0.00 29.99 28.57 3df4 n HIS 18 CO 0.00 0.00 0.00 -0.59 -0.00 0.00 0.00 176.34 175.75 3df4 s PHE 19 N -2.40 -0.02 0.33 1.57 -0.71 -1.26 -3.27 117.98 112.21 3df4 s PHE 19 Ca 0.60 -0.17 0.00 0.00 -1.04 0.00 0.00 56.93 56.32 3df4 s PHE 19 Cb -0.20 0.59 0.00 0.00 -1.21 0.00 0.00 43.02 42.21 3df4 s PHE 19 CO 0.65 -0.48 0.04 0.66 -1.34 0.00 0.00 175.22 174.75 3df4 n TYR 20 N -0.62 0.50 -3.73 3.49 4.01 0.03 -4.96 117.16 115.88 3df4 n TYR 20 Ca -0.04 -1.59 -0.13 0.00 -0.16 0.00 0.00 57.90 55.97 3df4 n TYR 20 Cb 0.61 -0.23 -0.10 0.00 -0.31 0.00 0.00 39.34 39.31 3df4 n TYR 20 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 3df4 s THR 21 N -2.11 0.00 0.00 -0.72 -1.32 -1.26 -2.12 115.64 108.11 3df4 s THR 21 Ca 0.03 -0.02 0.00 0.00 -1.21 0.00 0.00 61.69 60.49 3df4 s THR 21 Cb -0.00 -0.57 0.00 0.00 -1.51 0.00 0.00 72.50 70.42 3df4 s THR 21 CO 0.02 -0.01 0.00 1.07 -2.21 0.00 0.00 174.62 173.49 3df4 n THR 22 N 2.79 0.00 -3.90 5.08 5.66 0.77 -4.97 114.28 119.72 3df4 n THR 22 Ca -0.13 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.78 3df4 n THR 22 Cb 0.57 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.27 3df4 n THR 22 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 3df4 s THR 23 N -2.42 0.14 0.05 1.09 -4.23 -1.26 0.75 115.64 109.77 3df4 s THR 23 Ca 0.00 -1.19 -0.09 0.00 -1.18 0.00 0.00 61.69 59.23 3df4 s THR 23 Cb 0.00 -1.19 0.00 0.00 1.34 0.00 0.00 72.50 72.65 3df4 s THR 23 CO 0.00 -0.66 0.19 -0.75 -0.54 0.00 0.00 174.62 172.86 3df4 s LYS 24 N -3.35 0.72 -1.25 3.99 2.20 -1.16 -4.91 119.74 115.99 3df4 s LYS 24 Ca 0.01 -0.71 -0.10 0.00 -0.36 0.00 0.00 55.97 54.81 3df4 s LYS 24 Cb 0.03 0.30 0.18 0.00 -1.51 0.00 0.00 37.83 36.83 3df4 s LYS 24 CO -0.08 -0.21 1.74 -1.71 -0.36 0.00 0.00 175.35 174.73 3df4 n ASN 25 N 0.51 5.24 -0.38 1.43 2.85 -1.26 -3.62 115.26 120.04 3df4 n ASN 25 Ca -0.18 -3.11 0.29 0.00 -0.11 0.00 0.00 54.58 51.47 3df4 n ASN 25 Cb 0.60 -1.48 0.56 0.00 1.24 0.00 0.00 39.78 40.70 3df4 n ASN 25 CO 0.00 0.00 0.00 0.50 -2.11 0.00 0.00 177.26 175.65 3df4 h LYS 26 N 6.00 0.24 -0.19 1.20 1.63 -1.77 0.68 116.57 124.35 3df4 h LYS 26 Ca 0.36 -0.01 0.06 0.00 -0.85 0.00 0.00 60.65 60.20 3df4 h LYS 26 Cb 0.68 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.25 3df4 h LYS 26 CO 1.52 0.16 0.41 0.00 -3.45 0.00 0.00 179.45 178.08 3df4 h ARG 27 N 0.24 0.00 0.00 1.90 2.47 -1.87 -2.80 114.38 114.32 3df4 h ARG 27 Ca 0.72 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.44 3df4 h ARG 27 Cb 2.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.32 3df4 h ARG 27 CO -0.41 0.00 -0.23 0.25 0.56 0.00 0.00 179.97 180.14 3df4 n THR 28 N -3.25 0.00 -3.20 2.04 -2.24 0.20 -4.91 114.28 102.94 3df4 n THR 28 Ca 0.02 -0.14 -0.24 0.00 -2.27 0.00 0.00 64.05 61.43 3df4 n THR 28 Cb 0.52 0.66 -0.06 0.00 -2.10 0.00 0.00 70.33 69.35 3df4 n THR 28 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3df4 n LYS 29 N -0.62 1.73 -0.21 -0.78 4.76 0.61 -4.98 118.16 118.67 3df4 n LYS 29 Ca 0.00 -3.95 -0.00 0.00 -2.87 0.00 0.00 58.31 51.49 3df4 n LYS 29 Cb 0.00 -1.80 -0.00 0.00 -1.84 0.00 0.00 35.03 31.39 3df4 n LYS 29 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 3df4 n PRO 30 N 0.65 0.43 -4.41 1.97 -0.02 -1.18 -4.50 135.00 127.94 3df4 n PRO 30 Ca 0.26 -0.01 -0.30 0.00 -2.02 0.00 0.00 63.50 61.43 3df4 n PRO 30 Cb 0.51 -1.31 -0.17 0.00 -0.02 0.00 0.00 33.50 32.51 3df4 n PRO 30 CO 0.00 0.00 0.00 -1.83 1.98 0.00 0.00 175.50 175.65 3df4 s GLU 31 N 1.21 2.50 -0.30 -0.52 1.03 -1.26 -5.05 118.70 116.31 3df4 s GLU 31 Ca 0.01 -0.66 -0.32 0.00 0.03 0.00 0.00 54.97 54.03 3df4 s GLU 31 Cb 0.00 -2.12 -0.09 0.00 -0.80 0.00 0.00 34.13 31.13 3df4 s GLU 31 CO 0.00 -0.09 2.20 1.63 -1.33 0.00 0.00 175.26 177.67 3df4 n LYS 32 N 4.31 1.43 -2.54 -4.83 5.02 -1.16 -4.58 118.16 115.80 3df4 n LYS 32 Ca -0.19 0.39 -0.37 0.00 -2.02 0.00 0.00 58.31 56.12 3df4 n LYS 32 Cb 0.51 -2.77 -0.04 0.00 -0.02 0.00 0.00 35.03 32.71 3df4 n LYS 32 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3df4 s LEU 33 N 7.69 4.19 -0.02 -0.35 2.96 0.67 -4.71 118.68 129.11 3df4 s LEU 33 Ca 1.06 2.06 -0.11 0.00 -0.22 0.00 0.00 54.13 56.92 3df4 s LEU 33 Cb -0.65 -4.11 0.01 0.00 0.50 0.00 0.00 46.19 41.94 3df4 s LEU 33 CO 0.44 -0.44 0.23 -1.83 -1.32 0.00 0.00 176.35 173.43 3df4 s GLU 34 N -2.36 0.54 0.00 1.98 -1.05 -1.26 -2.76 118.70 113.79 3df4 s GLU 34 Ca 0.56 -0.19 0.00 0.00 -0.15 0.00 0.00 54.97 55.19 3df4 s GLU 34 Cb -0.23 0.24 0.00 0.00 -0.44 0.00 0.00 34.13 33.70 3df4 s GLU 34 CO 0.29 -0.13 0.00 1.47 0.95 0.00 0.00 175.26 177.84 3df4 n LEU 35 N 1.60 0.00 -0.90 1.83 -0.00 -0.90 -5.00 117.00 113.63 3df4 n LEU 35 Ca -0.21 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.80 3df4 n LEU 35 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.98 3df4 n LEU 35 CO 0.21 0.00 -0.19 0.29 -0.00 0.00 0.00 177.39 177.70 3df4 n LYS 36 N 0.00 -2.15 -4.07 1.47 5.02 -1.26 -4.88 118.16 112.28 3df4 n LYS 36 Ca 0.00 1.66 -0.12 0.00 -2.02 0.00 0.00 58.31 57.84 3df4 n LYS 36 Cb 0.00 -1.68 -0.06 0.00 -0.02 0.00 0.00 35.03 33.27 3df4 n LYS 36 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3df4 s LYS 37 N -2.76 1.63 0.19 1.97 1.02 -0.84 -4.85 119.74 116.09 3df4 s LYS 37 Ca 0.00 -1.53 -0.30 0.00 0.02 0.00 0.00 55.97 54.16 3df4 s LYS 37 Cb 0.00 0.42 -0.08 0.00 -0.52 0.00 0.00 37.83 37.65 3df4 s LYS 37 CO 0.00 -0.65 1.18 0.12 -0.92 0.00 0.00 175.35 175.07 3df4 s PHE 38 N -3.66 3.46 -0.64 3.18 5.36 -1.26 -2.29 117.98 122.12 3df4 s PHE 38 Ca 0.29 1.47 -0.06 0.00 -0.96 0.00 0.00 56.93 57.67 3df4 s PHE 38 Cb 0.01 -3.40 0.17 0.00 -0.34 0.00 0.00 43.02 39.46 3df4 s PHE 38 CO 0.14 -1.08 0.48 0.34 -1.46 0.00 0.00 175.22 173.65 3df4 s ASP 39 N 0.03 5.57 0.57 6.13 -1.08 -1.20 -4.94 116.67 121.75 3df4 s ASP 39 Ca 0.52 -2.69 0.34 0.00 -0.52 0.00 0.00 52.55 50.19 3df4 s ASP 39 Cb -0.32 -1.94 1.42 0.00 -1.46 0.00 0.00 42.92 40.62 3df4 s ASP 39 CO 0.37 -0.45 1.71 -0.65 0.52 0.00 0.00 175.17 176.67 3df4 h PRO 40 N 7.36 0.00 -0.14 4.34 0.11 -1.94 1.13 132.00 142.85 3df4 h PRO 40 Ca -0.02 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.07 3df4 h PRO 40 Cb 0.99 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.09 3df4 h PRO 40 CO 0.73 0.00 -0.01 0.28 -0.21 0.00 0.00 178.00 178.79 3df4 h VAL 41 N 0.00 1.27 -0.02 3.15 2.07 -1.96 -3.21 116.25 117.54 3df4 h VAL 41 Ca 0.48 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 67.11 3df4 h VAL 41 Cb 2.21 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 33.57 3df4 h VAL 41 CO -0.01 0.26 -0.12 0.52 0.02 0.00 0.00 177.57 178.24 3df4 n VAL 42 N -4.75 0.00 -3.99 2.57 0.31 -0.29 -4.98 118.33 107.21 3df4 n VAL 42 Ca -0.06 -0.44 -0.29 0.00 -0.01 0.00 0.00 64.34 63.54 3df4 n VAL 42 Cb 0.23 1.37 -0.00 0.00 -0.91 0.00 0.00 33.84 34.53 3df4 n VAL 42 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3df4 n ARG 43 N 0.80 -4.05 -3.69 5.55 1.74 0.37 -4.96 116.66 112.43 3df4 n ARG 43 Ca 0.11 0.47 -0.10 0.00 -0.77 0.00 0.00 57.85 57.56 3df4 n ARG 43 Cb 0.49 -5.03 -0.10 0.00 -1.02 0.00 0.00 32.46 26.80 3df4 n ARG 43 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3df4 s GLN 44 N -6.61 0.44 0.03 5.56 -1.52 -1.19 -4.95 119.66 111.43 3df4 s GLN 44 Ca 0.39 0.86 -0.31 0.00 -1.95 0.00 0.00 55.36 54.35 3df4 s GLN 44 Cb -0.20 0.00 -0.10 0.00 -0.22 0.00 0.00 33.01 32.49 3df4 s GLN 44 CO 0.88 -0.16 1.94 0.72 -0.25 0.00 0.00 175.29 178.42 3df4 n HIS 45 N 4.28 2.50 -3.83 0.91 8.25 -1.26 -3.28 115.22 122.79 3df4 n HIS 45 Ca -0.23 -0.29 0.00 0.00 -0.26 0.00 0.00 57.72 56.94 3df4 n HIS 45 Cb 0.56 -2.77 0.00 0.00 1.12 0.00 0.00 29.99 28.89 3df4 n HIS 45 CO 0.00 0.00 0.00 1.55 0.64 0.00 0.00 176.34 178.53 3df4 n VAL 46 N 5.37 0.00 -3.52 1.59 3.14 -0.97 -4.96 118.33 118.97 3df4 n VAL 46 Ca 0.20 0.00 -0.37 0.00 -2.96 0.00 0.00 64.34 61.21 3df4 n VAL 46 Cb 0.39 0.00 -0.06 0.00 -1.06 0.00 0.00 33.84 33.10 3df4 n VAL 46 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 3df4 s ILE 47 N -1.29 5.23 -0.19 1.55 1.09 -1.26 -2.00 121.20 124.33 3df4 s ILE 47 Ca 0.00 0.66 -0.00 0.00 -1.10 0.00 0.00 60.65 60.21 3df4 s ILE 47 Cb 0.00 -3.66 0.01 0.00 -1.06 0.00 0.00 42.46 37.75 3df4 s ILE 47 CO 0.00 0.45 -0.15 -0.31 -0.10 0.00 0.00 174.94 174.83 3df4 s TYR 48 N -0.08 2.84 0.00 3.97 2.02 -1.26 -0.14 117.35 124.70 3df4 s TYR 48 Ca 0.20 -1.45 0.00 0.00 -0.37 0.00 0.00 57.07 55.45 3df4 s TYR 48 Cb -0.14 -1.98 0.00 0.00 -0.40 0.00 0.00 41.96 39.44 3df4 s TYR 48 CO 0.07 -0.73 0.00 1.17 -1.57 0.00 0.00 175.55 174.49 3df4 n LYS 49 N 4.67 3.70 -2.10 -0.62 4.81 -0.86 -2.11 118.16 125.66 3df4 n LYS 49 Ca -0.20 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.23 3df4 n LYS 49 Cb 0.50 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 35.55 3df4 n LYS 49 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 3df4 n GLU 50 N 0.00 -1.90 -3.22 1.64 4.07 -1.11 -1.76 120.64 118.35 3df4 n GLU 50 Ca 0.00 1.74 0.04 0.00 -0.06 0.00 0.00 57.16 58.88 3df4 n GLU 50 Cb 0.00 -3.18 -0.02 0.00 -0.06 0.00 0.00 31.44 28.18 3df4 n GLU 50 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3df4 s ALA 51 N -0.71 -2.86 -0.34 4.31 0.00 -1.25 -4.09 121.76 116.82 3df4 s ALA 51 Ca -0.03 1.72 0.00 0.00 0.00 0.00 0.00 51.96 53.65 3df4 s ALA 51 Cb 0.00 -2.28 0.00 0.00 0.00 0.00 0.00 23.12 20.84 3df4 s ALA 51 CO 0.40 -1.31 0.08 1.63 0.00 0.00 0.00 175.76 176.57