#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ysi h SER 2 N 0.00 0.60 0.00 1.61 0.87 -2.10 -3.36 113.55 111.16 2ysi h SER 2 Ca 0.00 -0.58 -0.10 0.00 -1.23 0.00 0.00 61.79 59.88 2ysi h SER 2 Cb 0.00 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 61.77 2ysi h SER 2 CO 0.00 1.07 -0.59 -1.28 -0.53 0.00 0.00 176.83 175.50 2ysi h SER 3 N 0.15 0.00 -1.29 6.23 0.87 -2.13 -3.44 113.55 113.93 2ysi h SER 3 Ca -0.01 -0.58 -0.56 0.00 -1.23 0.00 0.00 61.79 59.41 2ysi h SER 3 Cb 1.00 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.94 2ysi h SER 3 CO 0.08 1.13 1.55 0.61 -0.53 0.00 0.00 176.83 179.68 2ysi n GLY 4 N 1.55 0.36 3.33 5.77 0.00 -1.26 -4.89 105.19 110.05 2ysi n GLY 4 Ca -0.18 0.84 -0.12 0.00 0.00 0.00 0.00 46.02 46.55 2ysi n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ysi s SER 5 N 9.43 -0.29 0.06 1.61 0.01 -1.26 -4.14 113.70 119.12 2ysi s SER 5 Ca 1.08 -0.06 0.07 0.00 1.31 0.00 0.00 55.95 58.35 2ysi s SER 5 Cb -0.58 0.44 -0.03 0.00 0.21 0.00 0.00 66.02 66.07 2ysi s SER 5 CO 0.39 -0.71 -0.20 -0.94 0.41 0.00 0.00 173.24 172.18 2ysi s SER 6 N -2.18 2.39 0.00 2.44 1.04 -1.26 -5.10 113.70 111.03 2ysi s SER 6 Ca -0.03 -0.58 0.00 0.00 0.48 0.00 0.00 55.95 55.82 2ysi s SER 6 Cb -0.00 -0.17 0.00 0.00 0.10 0.00 0.00 66.02 65.95 2ysi s SER 6 CO -0.04 0.10 0.23 0.61 0.98 0.00 0.00 173.24 175.12 2ysi n GLY 7 N 1.56 -0.89 3.93 7.32 0.00 -1.26 -4.92 105.19 110.94 2ysi n GLY 7 Ca -0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 2ysi n GLY 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ysi s THR 8 N -0.46 2.04 -0.11 2.61 -4.23 -1.26 -5.07 115.64 109.15 2ysi s THR 8 Ca 0.00 -0.09 -0.05 0.00 -1.18 0.00 0.00 61.69 60.37 2ysi s THR 8 Cb 0.00 -2.95 -0.04 0.00 1.34 0.00 0.00 72.50 70.86 2ysi s THR 8 CO 0.00 0.00 0.08 -1.61 -0.54 0.00 0.00 174.62 172.55 2ysi s GLU 9 N -5.68 3.30 1.24 3.99 0.41 -1.26 -5.10 118.70 115.59 2ysi s GLU 9 Ca 0.69 -0.25 -0.19 0.00 -0.41 0.00 0.00 54.97 54.81 2ysi s GLU 9 Cb -0.06 -3.04 0.30 0.00 -1.78 0.00 0.00 34.13 29.55 2ysi s GLU 9 CO 0.50 0.71 1.05 -1.21 -0.49 0.00 0.00 175.26 175.83 2ysi s GLU 10 N -0.87 -1.50 0.00 1.61 0.41 -1.26 -4.87 118.70 112.23 2ysi s GLU 10 Ca 0.13 0.14 0.13 0.00 -0.41 0.00 0.00 54.97 54.96 2ysi s GLU 10 Cb -0.12 -1.55 0.76 0.00 -1.78 0.00 0.00 34.13 31.45 2ysi s GLU 10 CO 0.03 -3.94 1.29 -0.89 -0.49 0.00 0.00 175.26 171.26 2ysi n ILE 11 N -4.96 0.00 -1.76 -1.63 5.41 -1.26 -4.81 119.36 110.36 2ysi n ILE 11 Ca 0.11 0.00 -0.31 0.00 1.00 0.00 0.00 62.75 63.55 2ysi n ILE 11 Cb 0.59 -0.41 0.04 0.00 -0.71 0.00 0.00 39.64 39.15 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 3.28 -0.00 1.39 0.52 -1.26 -4.05 118.94 116.82 2ysi s TRP 12 Ca 0.19 1.21 0.04 0.00 0.02 0.00 0.00 56.10 57.56 2ysi s TRP 12 Cb 0.09 -2.94 -0.03 0.00 -1.15 0.00 0.00 33.47 29.44 2ysi s TRP 12 CO 0.15 -1.15 -0.10 0.08 0.02 0.00 0.00 176.95 175.95 2ysi s VAL 13 N -3.21 3.43 -0.20 4.03 1.01 0.12 -4.88 120.40 120.71 2ysi s VAL 13 Ca 0.58 -0.82 -0.23 0.00 0.00 0.00 0.00 61.98 61.51 2ysi s VAL 13 Cb -0.12 -2.46 -0.02 0.00 0.00 0.00 0.00 36.38 33.78 2ysi s VAL 13 CO 0.54 0.42 0.73 -0.70 0.00 0.00 0.00 175.10 176.09 2ysi s GLU 14 N -1.30 4.23 0.27 2.72 2.12 -1.26 -1.40 118.70 124.08 2ysi s GLU 14 Ca 0.16 0.80 -0.01 0.00 0.36 0.00 0.00 54.97 56.28 2ysi s GLU 14 Cb -0.11 -3.59 -0.02 0.00 0.26 0.00 0.00 34.13 30.66 2ysi s GLU 14 CO 0.06 -0.33 0.29 -0.80 -0.54 0.00 0.00 175.26 173.93 2ysi s ASN 15 N 1.23 0.67 -0.05 -1.70 0.01 -0.62 -5.01 114.94 109.48 2ysi s ASN 15 Ca 0.33 -1.44 -0.02 0.00 -0.71 0.00 0.00 52.86 51.02 2ysi s ASN 15 Cb -0.16 0.51 0.03 0.00 0.41 0.00 0.00 41.25 42.04 2ysi s ASN 15 CO 0.10 -1.03 0.05 -0.75 -1.51 0.00 0.00 177.10 173.96 2ysi s LYS 16 N -3.73 0.05 0.80 -0.60 2.47 -1.26 -0.01 119.74 117.46 2ysi s LYS 16 Ca 0.35 0.32 -0.15 0.00 -1.56 0.00 0.00 55.97 54.94 2ysi s LYS 16 Cb 0.03 -0.59 -0.01 0.00 -1.46 0.00 0.00 37.83 35.80 2ysi s LYS 16 CO 0.17 -0.32 0.51 0.25 0.16 0.00 0.00 175.35 176.13 2ysi n THR 17 N 5.24 1.24 0.99 3.43 -2.24 0.14 -4.80 114.28 118.27 2ysi n THR 17 Ca -0.04 -0.33 0.01 0.00 -2.27 0.00 0.00 64.05 61.42 2ysi n THR 17 Cb 0.50 -0.72 0.07 0.00 -2.10 0.00 0.00 70.33 68.08 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 -1.12 0.49 -0.02 -0.78 -0.04 -1.26 -2.00 135.00 130.27 2ysi n PRO 18 Ca 0.09 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.57 2ysi n PRO 18 Cb 0.51 -1.08 -0.08 0.00 -0.04 0.00 0.00 33.50 32.81 2ysi n PRO 18 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 2ysi n ASP 19 N -0.58 2.67 0.00 3.54 -0.08 -1.26 -5.03 116.55 115.81 2ysi n ASP 19 Ca 0.02 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.30 2ysi n ASP 19 Cb 0.01 1.26 0.00 0.00 2.34 0.00 0.00 41.12 44.73 2ysi n ASP 19 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2ysi n GLY 20 N 2.06 0.89 2.88 0.27 0.00 -0.85 -5.14 105.19 105.30 2ysi n GLY 20 Ca -0.06 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.81 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 0.22 0.07 0.05 1.61 3.01 -1.25 -4.95 119.74 118.49 2ysi s LYS 21 Ca 0.00 0.61 -0.31 0.00 -1.01 0.00 0.00 55.97 55.26 2ysi s LYS 21 Cb 0.00 -0.23 -0.06 0.00 -1.01 0.00 0.00 37.83 36.53 2ysi s LYS 21 CO 0.00 -0.31 1.27 0.08 0.51 0.00 0.00 175.35 176.90 2ysi s VAL 22 N 2.33 3.87 0.37 3.17 1.01 -1.26 0.23 120.40 130.12 2ysi s VAL 22 Ca 0.03 1.32 0.05 0.00 0.00 0.00 0.00 61.98 63.37 2ysi s VAL 22 Cb -0.12 -3.85 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 2ysi s VAL 22 CO -0.07 0.07 0.18 -0.72 0.00 0.00 0.00 175.10 174.56 2ysi s TYR 23 N 1.43 1.75 -0.04 5.22 1.13 0.99 -4.86 117.35 122.96 2ysi s TYR 23 Ca 0.60 -1.41 0.05 0.00 -1.41 0.00 0.00 57.07 54.90 2ysi s TYR 23 Cb -0.31 -0.99 -0.00 0.00 -1.10 0.00 0.00 41.96 39.56 2ysi s TYR 23 CO 0.28 -0.49 -0.18 0.71 -2.51 0.00 0.00 175.55 173.36 2ysi s TYR 24 N -3.34 1.74 -0.15 -3.49 2.02 -0.30 -1.59 117.35 112.25 2ysi s TYR 24 Ca 0.30 -0.49 0.00 0.00 -0.37 0.00 0.00 57.07 56.52 2ysi s TYR 24 Cb 0.03 -1.17 -0.01 0.00 -0.40 0.00 0.00 41.96 40.41 2ysi s TYR 24 CO 0.19 -0.16 -0.14 -0.47 -1.57 0.00 0.00 175.55 173.39 2ysi s TYR 25 N -0.01 2.79 0.01 2.71 6.14 -0.49 -1.38 117.35 127.10 2ysi s TYR 25 Ca -0.03 -0.92 -0.25 0.00 0.64 0.00 0.00 57.07 56.51 2ysi s TYR 25 Cb -0.11 -1.88 -0.05 0.00 0.42 0.00 0.00 41.96 40.34 2ysi s TYR 25 CO 0.02 -0.40 0.76 1.21 0.64 0.00 0.00 175.55 177.78 2ysi s ASN 26 N 0.70 7.16 0.00 4.32 3.04 -0.93 0.13 114.94 129.35 2ysi s ASN 26 Ca -0.07 1.38 0.26 0.00 0.04 0.00 0.00 52.86 54.48 2ysi s ASN 26 Cb -0.16 -2.46 0.77 0.00 -1.54 0.00 0.00 41.25 37.87 2ysi s ASN 26 CO 0.02 -0.04 1.60 0.00 -3.04 0.00 0.00 177.10 175.63 2ysi n ALA 27 N 3.18 3.13 -0.07 1.71 0.00 -1.26 -0.68 120.51 126.52 2ysi n ALA 27 Ca -0.01 -0.27 -0.21 0.00 0.00 0.00 0.00 53.44 52.94 2ysi n ALA 27 Cb 0.51 -1.24 -0.12 0.00 0.00 0.00 0.00 19.45 18.60 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 0.06 0.07 0.00 0.00 1.12 -1.92 -3.39 114.38 110.32 2ysi h ARG 28 Ca 0.00 -0.12 0.00 0.00 -1.11 0.00 0.00 59.98 58.75 2ysi h ARG 28 Cb 0.49 0.04 0.00 0.00 -0.01 0.00 0.00 29.97 30.50 2ysi h ARG 28 CO 0.00 1.06 -1.68 0.25 -3.11 0.00 0.00 179.97 176.48 2ysi n THR 29 N -4.25 0.05 -2.89 0.20 -2.24 -1.26 -4.99 114.28 98.90 2ysi n THR 29 Ca -0.29 -0.39 -0.17 0.00 -2.27 0.00 0.00 64.05 60.93 2ysi n THR 29 Cb 0.74 0.19 0.03 0.00 -2.10 0.00 0.00 70.33 69.19 2ysi n THR 29 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2ysi n ARG 30 N -2.12 -3.96 -3.56 -0.78 1.74 0.15 -5.02 116.66 103.12 2ysi n ARG 30 Ca -0.02 0.66 -0.22 0.00 -0.77 0.00 0.00 57.85 57.51 2ysi n ARG 30 Cb 0.51 -5.02 -0.01 0.00 -1.02 0.00 0.00 32.46 26.92 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 -5.47 2.45 -0.14 5.56 0.41 -1.22 -4.90 118.70 115.38 2ysi s GLU 31 Ca 0.25 -1.65 0.01 0.00 -0.41 0.00 0.00 54.97 53.17 2ysi s GLU 31 Cb -0.11 -2.36 0.02 0.00 -1.78 0.00 0.00 34.13 29.90 2ysi s GLU 31 CO 0.32 -0.37 -0.15 -1.54 -0.49 0.00 0.00 175.26 173.03 2ysi s SER 32 N -4.24 2.65 -0.03 -0.19 1.04 -1.26 -2.19 113.70 109.49 2ysi s SER 32 Ca 0.47 -0.48 -0.00 0.00 0.48 0.00 0.00 55.95 56.41 2ysi s SER 32 Cb -0.03 -1.17 0.03 0.00 0.10 0.00 0.00 66.02 64.94 2ysi s SER 32 CO 0.28 -0.04 0.05 0.00 0.98 0.00 0.00 173.24 174.51 2ysi s ALA 33 N 1.37 0.03 0.11 5.32 0.00 -0.48 -5.01 121.76 123.09 2ysi s ALA 33 Ca 0.02 0.35 -0.25 0.00 0.00 0.00 0.00 51.96 52.09 2ysi s ALA 33 Cb -0.13 -0.27 -0.07 0.00 0.00 0.00 0.00 23.12 22.64 2ysi s ALA 33 CO -0.09 -0.11 1.42 -1.49 0.00 0.00 0.00 175.76 175.49 2ysi h TRP 34 N 7.24 -1.38 -3.12 0.00 -0.00 -1.89 -0.77 115.95 116.03 2ysi h TRP 34 Ca -0.45 0.08 -0.63 0.00 -0.00 0.00 0.00 58.89 57.89 2ysi h TRP 34 Cb 1.13 0.67 -0.09 0.00 -0.00 0.00 0.00 29.16 30.87 2ysi h TRP 34 CO 0.49 -0.34 -0.59 -0.08 -0.00 0.00 0.00 178.44 177.92 2ysi s THR 35 N -5.00 4.56 -0.04 1.49 -1.32 -1.26 -3.09 115.64 110.98 2ysi s THR 35 Ca -0.10 -0.79 -0.05 0.00 -1.21 0.00 0.00 61.69 59.54 2ysi s THR 35 Cb 0.07 -3.21 -0.04 0.00 -1.51 0.00 0.00 72.50 67.81 2ysi s THR 35 CO 0.48 0.10 0.19 -1.59 -2.21 0.00 0.00 174.62 171.59 2ysi s LYS 36 N -2.47 3.48 0.58 7.08 -2.85 -1.26 -4.90 119.74 119.39 2ysi s LYS 36 Ca 0.30 -0.19 -0.18 0.00 -1.00 0.00 0.00 55.97 54.89 2ysi s LYS 36 Cb -0.12 -3.13 -0.04 0.00 -2.06 0.00 0.00 37.83 32.48 2ysi s LYS 36 CO 0.22 0.71 1.12 -1.25 0.10 0.00 0.00 175.35 176.25 2ysi s PRO 37 N -1.58 3.20 0.43 1.78 0.04 -1.26 -5.06 135.00 132.55 2ysi s PRO 37 Ca 0.23 1.55 0.08 0.00 0.04 0.00 0.00 61.00 62.90 2ysi s PRO 37 Cb -0.13 -1.99 0.01 0.00 0.04 0.00 0.00 34.50 32.43 2ysi s PRO 37 CO 0.13 -0.96 0.53 0.34 0.04 0.00 0.00 177.00 177.08 2ysi s ASP 38 N -2.00 5.45 -1.17 6.66 2.15 -1.26 -4.68 116.67 121.82 2ysi s ASP 38 Ca 0.71 -0.55 -0.19 0.00 0.43 0.00 0.00 52.55 52.95 2ysi s ASP 38 Cb -0.23 -0.56 -0.01 0.00 -0.30 0.00 0.00 42.92 41.82 2ysi s ASP 38 CO 0.31 -0.77 0.76 0.61 -0.17 0.00 0.00 175.17 175.91 2ysi n GLY 39 N -1.79 -0.91 0.84 2.66 0.00 -1.26 -5.23 105.19 99.50 2ysi n GLY 39 Ca 0.07 0.42 0.12 0.00 0.00 0.00 0.00 46.02 46.64 2ysi n GLY 39 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70