#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ysi s SER 2 N 0.00 3.30 -0.10 1.61 0.01 -1.26 -5.02 113.70 112.25 2ysi s SER 2 Ca 0.00 -1.15 -0.23 0.00 1.31 0.00 0.00 55.95 55.88 2ysi s SER 2 Cb 0.00 -0.47 -0.20 0.00 0.21 0.00 0.00 66.02 65.57 2ysi s SER 2 CO 0.00 -0.40 0.77 0.28 0.41 0.00 0.00 173.24 174.31 2ysi h SER 3 N 8.32 -0.04 -4.85 2.44 0.02 -2.13 -3.50 113.55 113.81 2ysi h SER 3 Ca -0.17 -0.65 0.00 0.00 -0.84 0.00 0.00 61.79 60.13 2ysi h SER 3 Cb 1.06 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.61 2ysi h SER 3 CO 0.40 0.71 0.00 0.61 -1.14 0.00 0.00 176.83 177.41 2ysi n GLY 4 N 1.18 3.31 3.32 -3.77 0.00 -1.26 -5.05 105.19 102.92 2ysi n GLY 4 Ca -0.08 -1.93 -0.36 0.00 0.00 0.00 0.00 46.02 43.64 2ysi n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ysi s SER 5 N 0.00 4.78 0.27 1.61 1.04 -1.26 -5.09 113.70 115.05 2ysi s SER 5 Ca 0.00 -0.61 0.02 0.00 0.48 0.00 0.00 55.95 55.84 2ysi s SER 5 Cb 0.00 -1.81 -0.04 0.00 0.10 0.00 0.00 66.02 64.27 2ysi s SER 5 CO 0.00 -0.12 0.17 -0.44 0.98 0.00 0.00 173.24 173.83 2ysi s SER 6 N 1.47 1.02 -0.26 7.02 0.01 -1.26 -5.09 113.70 116.62 2ysi s SER 6 Ca 0.03 -1.52 0.22 0.00 1.31 0.00 0.00 55.95 55.99 2ysi s SER 6 Cb -0.16 0.40 0.50 0.00 0.21 0.00 0.00 66.02 66.97 2ysi s SER 6 CO -0.00 -0.89 1.15 0.61 0.41 0.00 0.00 173.24 174.51 2ysi n GLY 7 N -0.46 1.77 3.03 3.44 0.00 -1.26 -5.09 105.19 106.62 2ysi n GLY 7 Ca 0.03 -0.97 -0.17 0.00 0.00 0.00 0.00 46.02 44.91 2ysi n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ysi s THR 8 N -3.32 0.64 -0.00 2.61 2.01 -1.26 -5.15 115.64 111.16 2ysi s THR 8 Ca 0.26 -0.61 0.06 0.00 0.31 0.00 0.00 61.69 61.71 2ysi s THR 8 Cb 0.33 -0.59 -0.02 0.00 0.01 0.00 0.00 72.50 72.23 2ysi s THR 8 CO -0.05 -0.00 -0.19 -1.83 -0.69 0.00 0.00 174.62 171.85 2ysi s GLU 9 N -0.68 1.53 0.91 4.92 -1.05 -1.26 -5.15 118.70 117.93 2ysi s GLU 9 Ca -0.01 -0.73 -0.13 0.00 -0.15 0.00 0.00 54.97 53.95 2ysi s GLU 9 Cb -0.05 -1.51 0.18 0.00 -0.44 0.00 0.00 34.13 32.31 2ysi s GLU 9 CO 0.00 0.41 1.26 -1.21 0.95 0.00 0.00 175.26 176.67 2ysi s GLU 10 N -0.58 0.89 0.00 -4.83 8.01 -1.26 -4.93 118.70 115.99 2ysi s GLU 10 Ca 0.07 -0.49 0.12 0.00 0.01 0.00 0.00 54.97 54.68 2ysi s GLU 10 Cb -0.08 -1.93 0.70 0.00 -4.31 0.00 0.00 34.13 28.52 2ysi s GLU 10 CO -0.00 -2.21 1.33 -0.89 0.01 0.00 0.00 175.26 173.50 2ysi n ILE 11 N -3.59 0.00 -1.80 -1.63 5.41 -1.26 -4.83 119.36 111.66 2ysi n ILE 11 Ca 0.15 0.00 -0.31 0.00 1.00 0.00 0.00 62.75 63.59 2ysi n ILE 11 Cb 0.60 -0.29 0.03 0.00 -0.71 0.00 0.00 39.64 39.26 2ysi n ILE 11 CO 0.00 0.00 0.00 0.26 0.00 0.00 0.00 176.55 176.81 2ysi s TRP 12 N -2.00 3.40 -0.03 1.39 0.52 -1.26 -3.97 118.94 116.99 2ysi s TRP 12 Ca 0.18 1.24 0.03 0.00 0.02 0.00 0.00 56.10 57.56 2ysi s TRP 12 Cb 0.08 -2.87 -0.03 0.00 -1.15 0.00 0.00 33.47 29.51 2ysi s TRP 12 CO 0.14 -0.99 -0.09 0.08 0.02 0.00 0.00 176.95 176.11 2ysi s VAL 13 N -3.20 3.48 -0.21 4.03 1.01 0.16 -4.87 120.40 120.79 2ysi s VAL 13 Ca 0.57 -0.68 -0.24 0.00 0.00 0.00 0.00 61.98 61.63 2ysi s VAL 13 Cb -0.12 -2.44 -0.01 0.00 0.00 0.00 0.00 36.38 33.81 2ysi s VAL 13 CO 0.54 0.51 0.77 -0.70 0.00 0.00 0.00 175.10 176.22 2ysi s GLU 14 N -1.04 4.22 0.29 2.72 2.12 -1.26 -1.36 118.70 124.39 2ysi s GLU 14 Ca 0.14 0.87 0.02 0.00 0.36 0.00 0.00 54.97 56.35 2ysi s GLU 14 Cb -0.11 -3.61 -0.03 0.00 0.26 0.00 0.00 34.13 30.65 2ysi s GLU 14 CO 0.04 -0.39 0.29 -0.80 -0.54 0.00 0.00 175.26 173.85 2ysi s ASN 15 N 1.27 0.97 -0.06 -1.70 0.01 -0.62 -5.01 114.94 109.79 2ysi s ASN 15 Ca 0.34 -1.55 -0.03 0.00 -0.71 0.00 0.00 52.86 50.92 2ysi s ASN 15 Cb -0.16 0.53 0.04 0.00 0.41 0.00 0.00 41.25 42.07 2ysi s ASN 15 CO 0.10 -1.05 0.10 -0.75 -1.51 0.00 0.00 177.10 173.99 2ysi s LYS 16 N -3.62 -0.03 0.86 -0.60 2.47 -1.26 0.03 119.74 117.59 2ysi s LYS 16 Ca 0.37 0.43 -0.14 0.00 -1.56 0.00 0.00 55.97 55.07 2ysi s LYS 16 Cb 0.03 -0.47 0.01 0.00 -1.46 0.00 0.00 37.83 35.93 2ysi s LYS 16 CO 0.20 -0.34 0.46 0.25 0.16 0.00 0.00 175.35 176.09 2ysi n THR 17 N 5.31 0.79 0.98 3.43 -2.24 0.14 -4.80 114.28 117.88 2ysi n THR 17 Ca -0.04 -0.28 0.03 0.00 -2.27 0.00 0.00 64.05 61.50 2ysi n THR 17 Cb 0.50 -0.68 0.19 0.00 -2.10 0.00 0.00 70.33 68.23 2ysi n THR 17 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2ysi n PRO 18 N -1.31 0.49 -0.02 -0.78 -0.04 -1.26 -2.02 135.00 130.06 2ysi n PRO 18 Ca 0.08 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.57 2ysi n PRO 18 Cb 0.52 -1.20 -0.11 0.00 -0.04 0.00 0.00 33.50 32.67 2ysi n PRO 18 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2ysi n ASP 19 N -0.70 1.68 0.00 3.54 8.00 -1.26 -5.02 116.55 122.79 2ysi n ASP 19 Ca 0.05 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.55 2ysi n ASP 19 Cb 0.02 1.42 0.00 0.00 -0.02 0.00 0.00 41.12 42.54 2ysi n ASP 19 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2ysi n GLY 20 N 1.82 0.86 2.94 0.44 0.00 -0.86 -5.14 105.19 105.26 2ysi n GLY 20 Ca -0.08 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.79 2ysi n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ysi s LYS 21 N 0.27 0.11 0.09 1.61 3.01 -1.25 -4.96 119.74 118.62 2ysi s LYS 21 Ca 0.00 0.61 -0.30 0.00 -1.01 0.00 0.00 55.97 55.27 2ysi s LYS 21 Cb 0.00 -0.15 -0.06 0.00 -1.01 0.00 0.00 37.83 36.61 2ysi s LYS 21 CO 0.00 -0.26 1.17 0.08 0.51 0.00 0.00 175.35 176.84 2ysi s VAL 22 N 2.09 4.01 0.35 3.17 1.01 -1.26 0.23 120.40 130.01 2ysi s VAL 22 Ca -0.01 1.51 0.05 0.00 0.00 0.00 0.00 61.98 63.54 2ysi s VAL 22 Cb -0.12 -3.97 -0.03 0.00 0.00 0.00 0.00 36.38 32.26 2ysi s VAL 22 CO -0.07 0.16 0.19 -0.72 0.00 0.00 0.00 175.10 174.66 2ysi s TYR 23 N 0.71 1.72 -0.06 5.22 1.13 0.10 -4.82 117.35 121.35 2ysi s TYR 23 Ca 0.56 -1.46 0.03 0.00 -1.41 0.00 0.00 57.07 54.80 2ysi s TYR 23 Cb -0.29 -0.91 0.00 0.00 -1.10 0.00 0.00 41.96 39.66 2ysi s TYR 23 CO 0.31 -0.58 -0.16 0.71 -2.51 0.00 0.00 175.55 173.32 2ysi s TYR 24 N -3.40 1.76 -0.15 -3.49 2.02 -0.39 -1.59 117.35 112.11 2ysi s TYR 24 Ca 0.33 -0.60 -0.01 0.00 -0.37 0.00 0.00 57.07 56.42 2ysi s TYR 24 Cb 0.03 -1.22 -0.01 0.00 -0.40 0.00 0.00 41.96 40.36 2ysi s TYR 24 CO 0.20 -0.25 -0.13 -0.47 -1.57 0.00 0.00 175.55 173.34 2ysi s TYR 25 N 0.32 2.82 0.09 2.71 6.14 -0.46 -0.97 117.35 128.01 2ysi s TYR 25 Ca -0.10 -0.81 -0.25 0.00 0.64 0.00 0.00 57.07 56.54 2ysi s TYR 25 Cb -0.14 -1.89 -0.06 0.00 0.42 0.00 0.00 41.96 40.28 2ysi s TYR 25 CO 0.04 -0.34 0.77 1.21 0.64 0.00 0.00 175.55 177.87 2ysi s ASN 26 N 0.65 7.29 0.14 4.32 3.04 -0.70 0.36 114.94 130.03 2ysi s ASN 26 Ca -0.07 1.53 0.24 0.00 0.04 0.00 0.00 52.86 54.61 2ysi s ASN 26 Cb -0.15 -2.48 0.42 0.00 -1.54 0.00 0.00 41.25 37.49 2ysi s ASN 26 CO 0.02 0.09 1.39 0.00 -3.04 0.00 0.00 177.10 175.57 2ysi n ALA 27 N 2.31 2.82 -0.07 1.71 0.00 -1.25 -1.26 120.51 124.76 2ysi n ALA 27 Ca -0.04 -0.21 -0.10 0.00 0.00 0.00 0.00 53.44 53.09 2ysi n ALA 27 Cb 0.50 -1.22 -0.06 0.00 0.00 0.00 0.00 19.45 18.66 2ysi n ALA 27 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2ysi h ARG 28 N 0.00 0.00 0.00 0.00 9.65 -1.93 -3.38 114.38 118.72 2ysi h ARG 28 Ca 0.00 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2ysi h ARG 28 Cb 0.75 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.33 2ysi h ARG 28 CO 0.00 0.49 -0.85 1.79 2.80 0.00 0.00 179.97 184.20 2ysi h THR 29 N -1.00 0.01 -3.90 0.20 1.35 -2.00 -3.48 112.91 104.09 2ysi h THR 29 Ca -0.08 -1.03 -0.27 0.00 -0.55 0.00 0.00 66.41 64.48 2ysi h THR 29 Cb 0.69 1.59 0.08 0.00 -1.73 0.00 0.00 68.15 68.77 2ysi h THR 29 CO -0.05 0.01 -0.44 0.54 -0.25 0.00 0.00 175.52 175.32 2ysi n ARG 30 N -2.75 -4.70 -3.98 4.72 1.74 -0.39 -5.03 116.66 106.27 2ysi n ARG 30 Ca 0.00 0.58 -0.24 0.00 -0.77 0.00 0.00 57.85 57.43 2ysi n ARG 30 Cb 0.55 -4.83 -0.06 0.00 -1.02 0.00 0.00 32.46 27.11 2ysi n ARG 30 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2ysi s GLU 31 N -5.69 2.30 -0.12 5.56 0.41 -1.22 -4.91 118.70 115.03 2ysi s GLU 31 Ca 0.33 -1.81 0.02 0.00 -0.41 0.00 0.00 54.97 53.10 2ysi s GLU 31 Cb -0.15 -2.08 0.01 0.00 -1.78 0.00 0.00 34.13 30.14 2ysi s GLU 31 CO 0.41 -0.20 -0.16 -1.54 -0.49 0.00 0.00 175.26 173.28 2ysi s SER 32 N -4.00 2.59 -0.08 -0.19 1.04 -1.26 -1.72 113.70 110.07 2ysi s SER 32 Ca 0.41 -0.47 -0.03 0.00 0.48 0.00 0.00 55.95 56.34 2ysi s SER 32 Cb 0.01 -1.16 0.04 0.00 0.10 0.00 0.00 66.02 65.01 2ysi s SER 32 CO 0.23 0.02 0.17 0.00 0.98 0.00 0.00 173.24 174.65 2ysi s ALA 33 N 1.00 -0.31 0.10 5.32 0.00 -0.14 -5.00 121.76 122.73 2ysi s ALA 33 Ca -0.06 0.73 -0.20 0.00 0.00 0.00 0.00 51.96 52.43 2ysi s ALA 33 Cb -0.15 -0.61 -0.04 0.00 0.00 0.00 0.00 23.12 22.32 2ysi s ALA 33 CO -0.02 -0.29 1.18 0.91 0.00 0.00 0.00 175.76 177.53 2ysi n TRP 34 N 4.55 -0.28 -4.06 0.00 5.03 -1.26 -1.26 117.44 120.15 2ysi n TRP 34 Ca -0.20 0.80 -0.30 0.00 3.03 0.00 0.00 57.50 60.83 2ysi n TRP 34 Cb 0.51 -0.53 -0.07 0.00 -1.03 0.00 0.00 31.31 30.19 2ysi n TRP 34 CO 0.00 0.00 0.00 -0.08 -0.03 0.00 0.00 177.69 177.58 2ysi s THR 35 N -4.86 4.45 -0.08 -0.99 -1.32 -1.26 -2.87 115.64 108.72 2ysi s THR 35 Ca -0.08 -0.80 -0.05 0.00 -1.21 0.00 0.00 61.69 59.55 2ysi s THR 35 Cb 0.07 -3.14 -0.04 0.00 -1.51 0.00 0.00 72.50 67.88 2ysi s THR 35 CO 0.40 0.12 0.13 -1.59 -2.21 0.00 0.00 174.62 171.47 2ysi s LYS 36 N -2.38 3.34 0.62 7.08 -2.85 -1.26 -4.87 119.74 119.41 2ysi s LYS 36 Ca 0.29 -0.25 -0.17 0.00 -1.00 0.00 0.00 55.97 54.84 2ysi s LYS 36 Cb -0.12 -3.08 -0.02 0.00 -2.06 0.00 0.00 37.83 32.54 2ysi s LYS 36 CO 0.21 0.73 1.12 -1.25 0.10 0.00 0.00 175.35 176.26 2ysi s PRO 37 N -1.31 3.01 0.65 1.78 0.04 -1.26 -5.05 135.00 132.86 2ysi s PRO 37 Ca 0.19 1.47 -0.04 0.00 0.04 0.00 0.00 61.00 62.66 2ysi s PRO 37 Cb -0.12 -1.97 0.05 0.00 0.04 0.00 0.00 34.50 32.50 2ysi s PRO 37 CO 0.08 -1.10 0.93 0.16 0.04 0.00 0.00 177.00 177.11 2ysi s ASP 38 N -2.28 4.96 0.00 6.66 -4.77 -1.26 -4.43 116.67 115.55 2ysi s ASP 38 Ca 0.69 0.26 0.00 0.00 -3.30 0.00 0.00 52.55 50.20 2ysi s ASP 38 Cb -0.22 -0.98 0.00 0.00 -1.09 0.00 0.00 42.92 40.63 2ysi s ASP 38 CO 0.36 -1.45 0.00 0.61 0.70 0.00 0.00 175.17 175.39 2ysi n GLY 39 N -2.71 2.14 0.00 2.12 0.00 -1.26 -5.20 105.19 100.27 2ysi n GLY 39 Ca 0.08 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.76 2ysi n GLY 39 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87