#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 4rxn s LYS 2 N 0.00 2.96 0.47 0.03 -0.14 -1.26 -4.86 119.74 116.93 4rxn s LYS 2 Ca 0.00 -0.87 -0.20 0.00 -1.36 0.00 0.00 55.97 53.54 4rxn s LYS 2 Cb 0.00 -2.66 -0.09 0.00 -1.68 0.00 0.00 37.83 33.39 4rxn s LYS 2 CO 0.00 0.48 0.98 0.15 -0.76 0.00 0.00 175.35 176.20 4rxn s LYS 3 N -3.22 4.03 0.04 1.68 1.02 -1.26 -4.54 119.74 117.48 4rxn s LYS 3 Ca 0.32 1.14 0.07 0.00 0.02 0.00 0.00 55.97 57.52 4rxn s LYS 3 Cb -0.10 -2.14 -0.02 0.00 -0.52 0.00 0.00 37.83 35.04 4rxn s LYS 3 CO 0.24 -0.21 -0.21 0.71 -0.92 0.00 0.00 175.35 174.96 4rxn s TYR 4 N -2.24 1.84 0.04 3.18 2.02 -0.87 -0.69 117.35 120.63 4rxn s TYR 4 Ca 0.63 -0.37 0.09 0.00 -0.37 0.00 0.00 57.07 57.04 4rxn s TYR 4 Cb -0.11 -1.10 -0.03 0.00 -0.40 0.00 0.00 41.96 40.32 4rxn s TYR 4 CO 0.20 0.08 -0.26 -0.08 -1.57 0.00 0.00 175.55 173.92 4rxn s THR 5 N -0.78 2.07 -0.14 -0.71 -1.32 0.11 -0.10 115.64 114.77 4rxn s THR 5 Ca 0.08 -1.33 -0.29 0.00 -1.21 0.00 0.00 61.69 58.93 4rxn s THR 5 Cb -0.09 -1.76 -0.03 0.00 -1.51 0.00 0.00 72.50 69.11 4rxn s THR 5 CO 0.02 0.38 1.41 0.00 -2.21 0.00 0.00 174.62 174.21 4rxn n THR 7 N 5.51 0.29 -0.02 0.00 -2.24 -0.44 -0.28 114.28 117.09 4rxn n THR 7 Ca 0.15 -0.05 -0.15 0.00 -2.27 0.00 0.00 64.05 61.74 4rxn n THR 7 Cb 0.44 -0.60 -0.14 0.00 -2.10 0.00 0.00 70.33 67.94 4rxn n THR 7 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 4rxn n VAL 8 N -1.74 1.68 0.00 2.28 0.31 -1.26 -4.70 118.33 114.89 4rxn n VAL 8 Ca 0.06 -0.73 0.00 0.00 -0.01 0.00 0.00 64.34 63.66 4rxn n VAL 8 Cb 0.34 -1.33 0.00 0.00 -0.91 0.00 0.00 33.84 31.94 4rxn n VAL 8 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 4rxn n GLY 10 N 0.86 0.49 3.66 0.00 0.00 0.61 -5.05 105.19 105.76 4rxn n GLY 10 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 4rxn n GLY 10 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 4rxn n TYR 11 N -2.00 1.92 -4.15 1.61 9.36 -1.26 -4.64 117.16 118.00 4rxn n TYR 11 Ca 0.00 0.59 -0.34 0.00 3.32 0.00 0.00 57.90 61.46 4rxn n TYR 11 Cb 0.00 -2.37 -0.14 0.00 -0.63 0.00 0.00 39.34 36.20 4rxn n TYR 11 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 4rxn s ILE 12 N -0.89 3.34 -0.10 2.97 1.01 -1.26 0.09 121.20 126.36 4rxn s ILE 12 Ca 0.59 -0.52 -0.26 0.00 0.00 0.00 0.00 60.65 60.46 4rxn s ILE 12 Cb -0.63 -2.49 -0.03 0.00 0.01 0.00 0.00 42.46 39.32 4rxn s ILE 12 CO 0.59 0.45 0.82 -0.47 0.00 0.00 0.00 174.94 176.33 4rxn s TYR 13 N 1.11 3.52 -0.38 3.97 5.04 0.85 -4.97 117.35 126.49 4rxn s TYR 13 Ca 0.01 1.35 -0.03 0.00 -2.44 0.00 0.00 57.07 55.95 4rxn s TYR 13 Cb -0.15 -2.96 0.09 0.00 0.35 0.00 0.00 41.96 39.29 4rxn s TYR 13 CO -0.01 -0.08 0.16 0.34 -1.34 0.00 0.00 175.55 174.62 4rxn s ASP 14 N 1.00 5.21 0.58 4.32 2.15 -1.26 -2.04 116.67 126.63 4rxn s ASP 14 Ca 0.41 -1.77 0.29 0.00 0.43 0.00 0.00 52.55 51.91 4rxn s ASP 14 Cb -0.18 -1.82 1.44 0.00 -0.30 0.00 0.00 42.92 42.07 4rxn s ASP 14 CO 0.18 -0.47 1.85 1.55 -0.17 0.00 0.00 175.17 178.11 4rxn h PRO 15 N 8.07 0.00 0.00 4.34 0.13 -1.81 -0.09 132.00 142.64 4rxn h PRO 15 Ca -0.16 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.95 4rxn h PRO 15 Cb 1.06 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.18 4rxn h PRO 15 CO 0.66 0.00 -0.10 0.93 -0.23 0.00 0.00 178.00 179.26 4rxn h GLU 16 N 0.00 0.00 0.02 0.86 5.08 -1.94 0.32 114.58 118.92 4rxn h GLU 16 Ca 0.28 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.33 4rxn h GLU 16 Cb 1.43 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.63 4rxn h GLU 16 CO -0.00 0.10 -1.84 -0.25 -1.00 0.00 0.00 179.01 176.02 4rxn n ASP 17 N -3.56 1.03 0.00 1.42 9.92 -0.22 -4.27 116.55 120.87 4rxn n ASP 17 Ca -0.02 0.33 0.00 0.00 -0.53 0.00 0.00 54.79 54.57 4rxn n ASP 17 Cb 0.23 -0.11 0.00 0.00 -0.64 0.00 0.00 41.12 40.60 4rxn n ASP 17 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 4rxn n GLY 18 N 1.66 1.36 2.60 0.44 0.00 -0.22 -4.19 105.19 106.84 4rxn n GLY 18 Ca -0.22 -0.68 -0.12 0.00 0.00 0.00 0.00 46.02 45.00 4rxn n GLY 18 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 4rxn n ASP 19 N 1.06 -1.92 -0.34 1.61 2.03 0.11 -4.72 116.55 114.37 4rxn n ASP 19 Ca 0.00 -3.27 0.02 0.00 0.52 0.00 0.00 54.79 52.06 4rxn n ASP 19 Cb 0.00 1.22 0.18 0.00 -0.72 0.00 0.00 41.12 41.80 4rxn n ASP 19 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 4rxn h PRO 20 N 3.68 1.14 -0.62 -0.67 0.13 -1.56 -1.81 132.00 132.29 4rxn h PRO 20 Ca -0.08 -0.07 0.18 0.00 -0.87 0.00 0.00 66.00 65.16 4rxn h PRO 20 Cb 1.01 -0.26 -0.02 0.00 0.13 0.00 0.00 31.00 31.86 4rxn h PRO 20 CO 0.32 0.76 0.76 -0.44 -0.23 0.00 0.00 178.00 179.16 4rxn h ASP 21 N 1.18 0.00 -0.47 1.44 5.19 -1.96 -0.95 116.42 120.85 4rxn h ASP 21 Ca 0.39 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.80 4rxn h ASP 21 Cb 0.07 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.58 4rxn h ASP 21 CO -0.13 0.00 0.00 0.47 -3.12 0.00 0.00 179.24 176.46 4rxn n ASP 22 N -3.44 4.71 0.00 6.45 8.00 -0.74 -4.98 116.55 126.56 4rxn n ASP 22 Ca 0.13 -2.80 0.00 0.00 0.71 0.00 0.00 54.79 52.83 4rxn n ASP 22 Cb 0.97 -0.58 0.00 0.00 -0.02 0.00 0.00 41.12 41.49 4rxn n ASP 22 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 4rxn n GLY 23 N 0.33 0.57 3.17 0.44 0.00 -0.36 -5.02 105.19 104.32 4rxn n GLY 23 Ca 0.24 -0.38 -0.38 0.00 0.00 0.00 0.00 46.02 45.49 4rxn n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 4rxn s VAL 24 N -2.00 3.75 0.64 1.61 1.01 -0.88 -4.96 120.40 119.57 4rxn s VAL 24 Ca 0.00 -1.91 -0.14 0.00 0.00 0.00 0.00 61.98 59.93 4rxn s VAL 24 Cb 0.00 -3.51 -0.01 0.00 0.00 0.00 0.00 36.38 32.86 4rxn s VAL 24 CO 0.00 -0.72 1.07 0.20 0.00 0.00 0.00 175.10 175.64 4rxn s ASN 25 N 2.24 5.52 0.44 3.32 -0.87 -1.26 -0.71 114.94 123.61 4rxn s ASN 25 Ca 0.07 1.78 -0.23 0.00 -1.57 0.00 0.00 52.86 52.91 4rxn s ASN 25 Cb -0.24 -2.52 -0.10 0.00 -0.02 0.00 0.00 41.25 38.36 4rxn s ASN 25 CO -0.02 -1.35 0.86 -2.65 -2.57 0.00 0.00 177.10 171.37 4rxn n PRO 26 N -2.47 1.05 -0.94 -0.60 -0.02 -1.26 -2.49 135.00 128.27 4rxn n PRO 26 Ca 0.09 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 4rxn n PRO 26 Cb 0.53 -1.89 0.00 0.00 -0.02 0.00 0.00 33.50 32.12 4rxn n PRO 26 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 4rxn n GLY 27 N 1.38 0.61 3.62 -1.23 0.00 0.11 -4.91 105.19 104.78 4rxn n GLY 27 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 4rxn n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 4rxn s THR 28 N -2.36 4.97 0.54 2.61 2.01 -1.04 -5.03 115.64 117.34 4rxn s THR 28 Ca 0.00 1.11 -0.19 0.00 0.31 0.00 0.00 61.69 62.92 4rxn s THR 28 Cb 0.00 -3.96 -0.06 0.00 0.01 0.00 0.00 72.50 68.49 4rxn s THR 28 CO 0.00 -0.01 1.11 -0.62 -0.69 0.00 0.00 174.62 174.41 4rxn s ASP 29 N 1.49 5.83 0.20 3.53 3.68 -1.26 -4.60 116.67 125.55 4rxn s ASP 29 Ca 0.26 2.10 -0.17 0.00 2.13 0.00 0.00 52.55 56.88 4rxn s ASP 29 Cb -0.15 -2.57 0.19 0.00 -1.45 0.00 0.00 42.92 38.93 4rxn s ASP 29 CO 0.09 -1.14 1.60 0.15 0.13 0.00 0.00 175.17 176.00 4rxn h PHE 30 N 1.20 -0.67 -0.05 -5.34 3.04 -1.96 -0.84 116.94 112.31 4rxn h PHE 30 Ca -0.50 0.07 0.02 0.00 3.98 0.00 0.00 57.97 61.54 4rxn h PHE 30 Cb 1.25 0.39 -0.00 0.00 2.56 0.00 0.00 35.95 40.15 4rxn h PHE 30 CO 0.53 -0.34 0.10 1.57 -2.02 0.00 0.00 178.31 178.14 4rxn h LYS 31 N -0.09 0.00 -0.15 1.11 2.10 -1.98 -2.44 116.57 115.11 4rxn h LYS 31 Ca 0.27 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.92 4rxn h LYS 31 Cb 0.53 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.86 4rxn h LYS 31 CO -0.69 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 176.51 4rxn n ASP 32 N -3.50 2.14 -4.70 7.07 8.00 -0.33 -4.83 116.55 120.40 4rxn n ASP 32 Ca -0.02 -1.75 -0.42 0.00 0.71 0.00 0.00 54.79 53.31 4rxn n ASP 32 Cb 0.18 -0.09 -0.03 0.00 -0.02 0.00 0.00 41.12 41.16 4rxn n ASP 32 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 4rxn s ILE 33 N -1.81 3.37 0.24 0.53 1.01 -0.92 -4.92 121.20 118.70 4rxn s ILE 33 Ca 0.34 0.90 -0.30 0.00 0.00 0.00 0.00 60.65 61.60 4rxn s ILE 33 Cb 0.20 -3.58 -0.15 0.00 0.01 0.00 0.00 42.46 38.94 4rxn s ILE 33 CO 0.29 0.04 1.03 -2.65 0.00 0.00 0.00 174.94 173.65 4rxn n PRO 34 N 4.64 1.19 0.00 2.79 -0.02 -1.26 -4.84 135.00 137.49 4rxn n PRO 34 Ca 0.13 0.42 0.09 0.00 -2.02 0.00 0.00 63.50 62.11 4rxn n PRO 34 Cb 0.42 -1.81 0.45 0.00 -0.02 0.00 0.00 33.50 32.54 4rxn n PRO 34 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 4rxn n ASP 35 N 1.57 0.00 -0.30 2.55 10.43 -1.26 -1.13 116.55 128.42 4rxn n ASP 35 Ca 0.12 0.12 0.13 0.00 2.57 0.00 0.00 54.79 57.73 4rxn n ASP 35 Cb 0.29 -0.33 0.30 0.00 1.84 0.00 0.00 41.12 43.22 4rxn n ASP 35 CO 0.00 0.00 0.00 -0.90 -1.07 0.00 0.00 177.20 175.23 4rxn n ASP 36 N -1.33 1.23 -4.76 -2.24 3.85 -1.26 -4.76 116.55 107.28 4rxn n ASP 36 Ca 0.08 -1.02 -0.37 0.00 -0.71 0.00 0.00 54.79 52.76 4rxn n ASP 36 Cb 0.16 0.21 0.01 0.00 -1.35 0.00 0.00 41.12 40.15 4rxn n ASP 36 CO 0.00 0.00 0.00 0.86 -1.01 0.00 0.00 177.20 177.05 4rxn s TRP 37 N -2.50 2.60 0.15 2.11 -0.00 -0.28 -5.03 118.94 115.99 4rxn s TRP 37 Ca 0.23 1.47 0.05 0.00 -0.00 0.00 0.00 56.10 57.86 4rxn s TRP 37 Cb 0.19 -3.54 -0.04 0.00 -0.00 0.00 0.00 33.47 30.08 4rxn s TRP 37 CO 0.53 -2.09 -0.12 0.14 -0.00 0.00 0.00 176.95 175.41 4rxn s VAL 38 N -1.47 1.31 0.13 5.86 -7.23 -1.26 -3.71 120.40 114.03 4rxn s VAL 38 Ca 0.68 -2.00 -0.34 0.00 -1.81 0.00 0.00 61.98 58.51 4rxn s VAL 38 Cb -0.33 -1.80 -0.13 0.00 0.56 0.00 0.00 36.38 34.68 4rxn s VAL 38 CO 0.39 -0.64 1.64 0.00 -0.31 0.00 0.00 175.10 176.18 4rxn h PRO 40 N 6.50 0.85 0.00 0.00 0.11 -1.96 0.27 132.00 137.77 4rxn h PRO 40 Ca -0.45 -0.08 -0.01 0.00 0.11 0.00 0.00 66.00 65.57 4rxn h PRO 40 Cb 1.25 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 4rxn h PRO 40 CO 0.90 0.61 -0.23 -0.07 -0.21 0.00 0.00 178.00 179.00 4rxn h LEU 41 N 0.87 0.00 0.00 2.35 3.38 -1.99 -3.43 115.31 116.48 4rxn h LEU 41 Ca 0.23 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.08 4rxn h LEU 41 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 4rxn h LEU 41 CO -0.04 0.68 -1.21 0.00 0.09 0.00 0.00 178.44 177.95 4rxn n GLY 43 N 1.62 0.80 3.82 0.00 0.00 0.95 -4.96 105.19 107.41 4rxn n GLY 43 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 4rxn n GLY 43 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 4rxn s VAL 44 N -3.08 4.21 1.04 1.61 -7.23 -1.26 -4.56 120.40 111.13 4rxn s VAL 44 Ca 0.00 1.28 -0.14 0.00 -1.81 0.00 0.00 61.98 61.31 4rxn s VAL 44 Cb 0.00 -3.57 0.21 0.00 0.56 0.00 0.00 36.38 33.58 4rxn s VAL 44 CO 0.00 -0.39 1.11 -0.83 -0.31 0.00 0.00 175.10 174.68 4rxn s GLY 45 N -2.36 1.58 0.62 2.32 0.00 -1.26 -0.06 107.32 108.15 4rxn s GLY 45 Ca 0.63 -0.59 0.39 0.00 0.00 0.00 0.00 44.72 45.15 4rxn s GLY 45 CO 0.21 0.09 2.24 0.50 0.00 0.00 0.00 173.10 176.14 4rxn h LYS 46 N -2.02 0.00 0.00 2.90 1.57 -1.86 -2.38 116.57 114.79 4rxn h LYS 46 Ca -0.51 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 4rxn h LYS 46 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.63 4rxn h LYS 46 CO 0.52 0.01 0.00 -0.40 -0.57 0.00 0.00 179.45 179.01 4rxn n ASP 47 N -3.19 0.00 -1.14 0.86 3.85 -1.26 -1.25 116.55 114.42 4rxn n ASP 47 Ca -0.02 0.46 0.11 0.00 -0.71 0.00 0.00 54.79 54.62 4rxn n ASP 47 Cb 0.15 -0.47 0.27 0.00 -1.35 0.00 0.00 41.12 39.72 4rxn n ASP 47 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 4rxn n GLU 48 N -1.47 2.44 -3.17 0.11 -0.58 -0.89 -4.93 120.64 112.14 4rxn n GLU 48 Ca 0.02 -2.22 -0.30 0.00 -0.42 0.00 0.00 57.16 54.24 4rxn n GLU 48 Cb 0.10 -1.49 -0.04 0.00 -0.57 0.00 0.00 31.44 29.44 4rxn n GLU 48 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 4rxn s PHE 49 N -1.25 3.45 0.03 -0.32 0.40 -0.38 -1.33 117.98 118.58 4rxn s PHE 49 Ca 0.41 0.88 0.03 0.00 -0.60 0.00 0.00 56.93 57.65 4rxn s PHE 49 Cb 0.22 -2.29 -0.02 0.00 0.51 0.00 0.00 43.02 41.44 4rxn s PHE 49 CO 0.29 0.09 -0.09 -1.21 0.70 0.00 0.00 175.22 175.00 4rxn s GLU 50 N -3.45 0.65 0.29 0.44 2.02 -0.37 -4.94 118.70 113.33 4rxn s GLU 50 Ca 0.48 -0.60 -0.29 0.00 0.02 0.00 0.00 54.97 54.58 4rxn s GLU 50 Cb -0.11 -0.56 -0.10 0.00 0.10 0.00 0.00 34.13 33.47 4rxn s GLU 50 CO 0.27 0.13 1.29 -1.21 0.02 0.00 0.00 175.26 175.76 4rxn s GLU 51 N -1.01 4.40 -0.63 1.61 2.02 -1.26 -0.71 118.70 123.12 4rxn s GLU 51 Ca -0.03 2.12 -0.22 0.00 0.02 0.00 0.00 54.97 56.87 4rxn s GLU 51 Cb -0.07 -3.12 0.07 0.00 0.10 0.00 0.00 34.13 31.11 4rxn s GLU 51 CO 0.01 -0.16 0.91 0.08 0.02 0.00 0.00 175.26 176.12 4rxn s VAL 52 N -0.78 4.43 -0.15 2.63 1.01 0.13 -4.83 120.40 122.83 4rxn s VAL 52 Ca 0.51 -0.41 -0.12 0.00 0.00 0.00 0.00 61.98 61.96 4rxn s VAL 52 Cb -0.38 -4.63 -0.05 0.00 0.00 0.00 0.00 36.38 31.33 4rxn s VAL 52 CO 0.47 -1.35 0.25 -0.70 0.00 0.00 0.00 175.10 173.77 4rxn s GLU 53 N 3.79 4.11 0.00 2.72 2.12 -1.26 -4.46 118.70 125.72 4rxn s GLU 53 Ca 0.21 0.04 0.28 0.00 0.36 0.00 0.00 54.97 55.85 4rxn s GLU 53 Cb -0.18 -3.38 0.94 0.00 0.26 0.00 0.00 34.13 31.78 4rxn s GLU 53 CO 0.10 0.36 1.69 0.39 -0.54 0.00 0.00 175.26 177.26