#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 6.80 -0.16 1.61 0.01 -1.26 -5.01 113.70 115.69 2ysi s SER 2 Ca 0.00 2.65 -0.12 0.00 1.31 0.00 0.00 55.95 59.80 2ysi s SER 2 Cb 0.00 -2.65 -0.05 0.00 0.21 0.00 0.00 66.02 63.54 2ysi s SER 2 CO 0.00 -0.51 0.23 -0.94 0.41 0.00 0.00 173.24 172.42 2ysi s SER 3 N -0.53 6.37 -0.77 2.44 1.04 -1.26 -4.45 113.70 116.54 2ysi s SER 3 Ca 0.49 0.42 -0.02 0.00 0.48 0.00 0.00 55.95 57.32 2ysi s SER 3 Cb -0.39 -2.14 -0.02 0.00 0.10 0.00 0.00 66.02 63.56 2ysi s SER 3 CO 0.52 0.16 0.65 0.61 0.98 0.00 0.00 173.24 176.17 2ysi n GLY 4 N 3.24 -0.29 2.77 7.32 0.00 -1.26 -5.04 105.19 111.92 2ysi n GLY 4 Ca -0.14 0.11 -0.21 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.60 1.23 0.02 1.61 1.04 -1.26 -5.03 113.70 107.70 2ysi s SER 5 Ca 0.15 -0.04 -0.19 0.00 0.48 0.00 0.00 55.95 56.34 2ysi s SER 5 Cb -0.02 -0.34 -0.20 0.00 0.10 0.00 0.00 66.02 65.57 2ysi s SER 5 CO 0.50 -0.18 1.18 -1.28 0.98 0.00 0.00 173.24 174.45 2ysi h SER 6 N 8.07 0.52 0.00 7.02 0.87 -1.97 -3.49 113.55 124.56 2ysi h SER 6 Ca -0.24 -0.67 0.00 0.00 -1.23 0.00 0.00 61.79 59.65 2ysi h SER 6 Cb 1.13 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.93 2ysi h SER 6 CO 0.29 1.11 0.00 0.61 -0.53 0.00 0.00 176.83 178.31 2ysi n GLY 7 N 0.78 1.30 3.51 5.77 0.00 -1.26 -4.95 105.19 110.34 2ysi n GLY 7 Ca -0.09 -0.78 -0.43 0.00 0.00 0.00 0.00 46.02 44.72 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 0.00 4.22 0.23 2.61 -4.23 -1.26 -5.02 115.64 112.19 2ysi s THR 8 Ca 0.00 0.15 -0.10 0.00 -1.18 0.00 0.00 61.69 60.56 2ysi s THR 8 Cb 0.00 -4.67 -0.07 0.00 1.34 0.00 0.00 72.50 69.10 2ysi s THR 8 CO 0.00 -1.37 0.57 -1.61 -0.54 0.00 0.00 174.62 171.66 2ysi s GLU 9 N 4.38 3.83 1.39 3.99 8.01 -1.26 -5.08 118.70 133.97 2ysi s GLU 9 Ca 0.30 0.33 -0.21 0.00 0.01 0.00 0.00 54.97 55.39 2ysi s GLU 9 Cb -0.13 -2.64 0.36 0.00 -4.31 0.00 0.00 34.13 27.41 2ysi s GLU 9 CO 0.16 0.31 0.94 -1.21 0.01 0.00 0.00 175.26 175.47 2ysi s GLU 10 N -2.78 -2.71 0.00 1.61 0.41 -1.26 -4.84 118.70 109.12 2ysi s GLU 10 Ca 0.48 0.23 0.09 0.00 -0.41 0.00 0.00 54.97 55.35 2ysi s GLU 10 Cb -0.11 -1.39 0.53 0.00 -1.78 0.00 0.00 34.13 31.37 2ysi s GLU 10 CO 0.21 -4.75 1.17 -0.89 -0.49 0.00 0.00 175.26 170.50 2ysi n ILE 11 N -5.56 0.00 -1.96 -1.63 5.41 -1.26 -4.82 119.36 109.54 2ysi n ILE 11 Ca 0.11 0.00 -0.30 0.00 1.00 0.00 0.00 62.75 63.56 2ysi n ILE 11 Cb 0.59 -0.28 0.03 0.00 -0.71 0.00 0.00 39.64 39.27 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 3.43 -0.00 1.39 0.52 -1.26 -4.01 118.94 117.00 2ysi s TRP 12 Ca 0.13 1.08 0.03 0.00 0.02 0.00 0.00 56.10 57.36 2ysi s TRP 12 Cb 0.06 -2.89 -0.03 0.00 -1.15 0.00 0.00 33.47 29.46 2ysi s TRP 12 CO 0.10 -0.95 -0.06 0.08 0.02 0.00 0.00 176.95 176.14 2ysi s VAL 13 N -3.24 3.69 -0.25 4.03 1.01 0.17 -4.87 120.40 120.94 2ysi s VAL 13 Ca 0.56 -0.74 -0.22 0.00 0.00 0.00 0.00 61.98 61.59 2ysi s VAL 13 Cb -0.11 -2.60 -0.01 0.00 0.00 0.00 0.00 36.38 33.66 2ysi s VAL 13 CO 0.52 0.41 0.69 -0.70 0.00 0.00 0.00 175.10 176.01 2ysi s GLU 14 N -1.38 4.13 0.31 2.72 2.12 -1.26 -1.42 118.70 123.93 2ysi s GLU 14 Ca 0.17 0.67 0.05 0.00 0.36 0.00 0.00 54.97 56.22 2ysi s GLU 14 Cb -0.11 -3.65 -0.03 0.00 0.26 0.00 0.00 34.13 30.60 2ysi s GLU 14 CO 0.07 -0.44 0.24 -0.80 -0.54 0.00 0.00 175.26 173.79 2ysi s ASN 15 N 1.43 1.43 -0.06 -1.70 0.01 -0.69 -5.02 114.94 110.34 2ysi s ASN 15 Ca 0.29 -1.68 -0.03 0.00 -0.71 0.00 0.00 52.86 50.73 2ysi s ASN 15 Cb -0.15 0.52 0.04 0.00 0.41 0.00 0.00 41.25 42.06 2ysi s ASN 15 CO 0.08 -1.01 0.11 -0.75 -1.51 0.00 0.00 177.10 174.03 2ysi s LYS 16 N -3.61 -0.01 0.79 -0.60 2.47 -1.26 -0.80 119.74 116.73 2ysi s LYS 16 Ca 0.40 0.46 -0.15 0.00 -1.56 0.00 0.00 55.97 55.12 2ysi s LYS 16 Cb 0.03 -0.36 -0.01 0.00 -1.46 0.00 0.00 37.83 36.03 2ysi s LYS 16 CO 0.24 -0.30 0.53 0.25 0.16 0.00 0.00 175.35 176.23 2ysi n THR 17 N 5.20 1.34 0.95 3.43 -2.24 0.13 -4.80 114.28 118.27 2ysi n THR 17 Ca -0.06 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 2ysi n THR 17 Cb 0.50 -0.73 0.00 0.00 -2.10 0.00 0.00 70.33 68.00 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 -0.03 -0.78 -0.04 -1.26 -2.19 135.00 130.07 2ysi n PRO 18 Ca 0.09 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.53 2ysi n PRO 18 Cb 0.51 -1.02 -0.05 0.00 -0.04 0.00 0.00 33.50 32.91 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 -0.45 3.58 0.00 3.54 8.00 -1.26 -5.03 116.55 124.92 2ysi n ASP 19 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 2ysi n ASP 19 Cb 0.01 0.71 0.00 0.00 -0.02 0.00 0.00 41.12 41.82 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 2.59 0.82 2.69 0.44 0.00 -0.93 -5.14 105.19 105.65 2ysi n GLY 20 Ca -0.09 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.71 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 0.00 0.18 0.04 1.61 3.01 -1.26 -4.95 119.74 118.38 2ysi s LYS 21 Ca 0.00 0.16 -0.31 0.00 -1.01 0.00 0.00 55.97 54.82 2ysi s LYS 21 Cb 0.00 -1.00 -0.06 0.00 -1.01 0.00 0.00 37.83 35.76 2ysi s LYS 21 CO 0.00 -0.41 1.28 0.08 0.51 0.00 0.00 175.35 176.81 2ysi s VAL 22 N 2.09 3.86 0.37 3.17 1.01 -1.26 0.17 120.40 129.81 2ysi s VAL 22 Ca 0.04 1.30 0.05 0.00 0.00 0.00 0.00 61.98 63.37 2ysi s VAL 22 Cb -0.13 -3.83 -0.03 0.00 0.00 0.00 0.00 36.38 32.39 2ysi s VAL 22 CO -0.05 0.06 0.18 -0.72 0.00 0.00 0.00 175.10 174.57 2ysi s TYR 23 N 1.51 1.75 -0.03 5.22 1.13 0.02 -4.80 117.35 122.16 2ysi s TYR 23 Ca 0.60 -1.41 0.06 0.00 -1.41 0.00 0.00 57.07 54.91 2ysi s TYR 23 Cb -0.31 -0.99 -0.01 0.00 -1.10 0.00 0.00 41.96 39.55 2ysi s TYR 23 CO 0.28 -0.49 -0.20 0.71 -2.51 0.00 0.00 175.55 173.34 2ysi s TYR 24 N -3.33 1.85 -0.13 -3.49 2.02 0.18 -1.70 117.35 112.76 2ysi s TYR 24 Ca 0.30 -0.44 0.03 0.00 -0.37 0.00 0.00 57.07 56.59 2ysi s TYR 24 Cb 0.03 -1.21 0.01 0.00 -0.40 0.00 0.00 41.96 40.38 2ysi s TYR 24 CO 0.19 -0.10 -0.22 -0.47 -1.57 0.00 0.00 175.55 173.37 2ysi s TYR 25 N -0.26 2.63 -0.03 2.71 6.14 -0.50 -1.02 117.35 127.02 2ysi s TYR 25 Ca 0.03 -1.22 -0.25 0.00 0.64 0.00 0.00 57.07 56.27 2ysi s TYR 25 Cb -0.10 -1.78 -0.04 0.00 0.42 0.00 0.00 41.96 40.47 2ysi s TYR 25 CO 0.01 -0.53 0.75 1.21 0.64 0.00 0.00 175.55 177.63 2ysi s ASN 26 N 0.63 7.09 0.15 4.32 3.04 -0.89 0.44 114.94 129.72 2ysi s ASN 26 Ca -0.12 1.31 0.26 0.00 0.04 0.00 0.00 52.86 54.35 2ysi s ASN 26 Cb -0.16 -2.44 0.70 0.00 -1.54 0.00 0.00 41.25 37.81 2ysi s ASN 26 CO 0.02 -0.10 1.65 0.00 -3.04 0.00 0.00 177.10 175.63 2ysi n ALA 27 N 3.55 2.52 -0.05 1.71 0.00 -1.26 0.03 120.51 127.01 2ysi n ALA 27 Ca -0.01 -0.11 -0.22 0.00 0.00 0.00 0.00 53.44 53.11 2ysi n ALA 27 Cb 0.51 -1.37 -0.13 0.00 0.00 0.00 0.00 19.45 18.46 2ysi n ALA 27 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2ysi n ARG 28 N -2.11 0.68 0.03 0.00 0.00 -1.26 -4.43 116.66 109.57 2ysi n ARG 28 Ca 0.05 0.34 0.11 0.00 -0.00 0.00 0.00 57.85 58.35 2ysi n ARG 28 Cb 0.42 -1.68 -0.10 0.00 0.00 0.00 0.00 32.46 31.10 2ysi n ARG 28 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 2ysi n THR 29 N -3.78 0.25 -3.09 5.15 -2.24 -1.25 -4.98 114.28 104.33 2ysi n THR 29 Ca -0.35 -0.52 -0.19 0.00 -2.27 0.00 0.00 64.05 60.71 2ysi n THR 29 Cb 0.93 -0.14 0.04 0.00 -2.10 0.00 0.00 70.33 69.07 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 -2.43 -5.11 -3.69 -0.78 1.74 0.10 -5.01 116.66 101.49 2ysi n ARG 30 Ca -0.03 0.75 -0.22 0.00 -0.77 0.00 0.00 57.85 57.58 2ysi n ARG 30 Cb 0.56 -5.36 -0.03 0.00 -1.02 0.00 0.00 32.46 26.62 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 -5.74 2.42 -0.14 5.56 2.02 -1.22 -4.89 118.70 116.71 2ysi s GLU 31 Ca 0.34 -1.69 -0.01 0.00 0.02 0.00 0.00 54.97 53.64 2ysi s GLU 31 Cb -0.15 -2.27 0.04 0.00 0.10 0.00 0.00 34.13 31.84 2ysi s GLU 31 CO 0.43 -0.30 -0.05 -1.54 0.02 0.00 0.00 175.26 173.81 2ysi s SER 32 N -4.16 2.50 -0.03 -0.19 1.04 -1.26 -2.09 113.70 109.51 2ysi s SER 32 Ca 0.45 -0.49 -0.02 0.00 0.48 0.00 0.00 55.95 56.37 2ysi s SER 32 Cb -0.02 -0.83 0.02 0.00 0.10 0.00 0.00 66.02 65.29 2ysi s SER 32 CO 0.26 -0.17 0.07 0.00 0.98 0.00 0.00 173.24 174.39 2ysi s ALA 33 N 1.70 -0.12 0.16 5.32 0.00 -0.18 -4.98 121.76 123.66 2ysi s ALA 33 Ca 0.03 0.34 -0.27 0.00 0.00 0.00 0.00 51.96 52.05 2ysi s ALA 33 Cb -0.14 -0.23 0.00 0.00 0.00 0.00 0.00 23.12 22.75 2ysi s ALA 33 CO -0.08 -0.08 1.56 -1.49 0.00 0.00 0.00 175.76 175.67 2ysi h TRP 34 N 6.69 -1.45 -1.90 0.00 -0.00 -1.87 0.55 115.95 117.98 2ysi h TRP 34 Ca -0.35 0.09 -0.52 0.00 -0.00 0.00 0.00 58.89 58.11 2ysi h TRP 34 Cb 1.17 0.72 -0.06 0.00 -0.00 0.00 0.00 29.16 30.99 2ysi h TRP 34 CO 0.44 -0.43 -0.50 -0.08 -0.00 0.00 0.00 178.44 177.87 2ysi s THR 35 N -5.76 3.38 0.14 1.49 -1.32 -1.26 -3.35 115.64 108.96 2ysi s THR 35 Ca -0.14 -1.54 -0.18 0.00 -1.21 0.00 0.00 61.69 58.63 2ysi s THR 35 Cb 0.12 -3.10 -0.07 0.00 -1.51 0.00 0.00 72.50 67.95 2ysi s THR 35 CO 0.65 -0.20 0.60 -0.54 -2.21 0.00 0.00 174.62 172.92 2ysi s LYS 36 N -3.91 4.14 0.70 7.08 1.02 -1.26 -4.85 119.74 122.67 2ysi s LYS 36 Ca 0.38 0.69 -0.13 0.00 0.02 0.00 0.00 55.97 56.93 2ysi s LYS 36 Cb -0.05 -3.04 0.02 0.00 -0.52 0.00 0.00 37.83 34.24 2ysi s LYS 36 CO 0.24 0.52 1.10 -1.25 -0.92 0.00 0.00 175.35 175.05 2ysi s PRO 37 N -1.63 2.59 0.65 -1.68 0.04 -1.26 -5.04 135.00 128.68 2ysi s PRO 37 Ca 0.36 1.30 -0.10 0.00 0.04 0.00 0.00 61.00 62.60 2ysi s PRO 37 Cb -0.17 -1.93 -0.00 0.00 0.04 0.00 0.00 34.50 32.43 2ysi s PRO 37 CO 0.20 -1.40 1.03 0.34 0.04 0.00 0.00 177.00 177.21 2ysi s ASP 38 N -2.90 5.73 0.00 6.66 2.15 -1.26 -4.32 116.67 122.73 2ysi s ASP 38 Ca 0.65 1.14 0.00 0.00 0.43 0.00 0.00 52.55 54.77 2ysi s ASP 38 Cb -0.19 -2.06 0.00 0.00 -0.30 0.00 0.00 42.92 40.36 2ysi s ASP 38 CO 0.47 -1.13 0.00 0.61 -0.17 0.00 0.00 175.17 174.95 2ysi n GLY 39 N -2.83 2.95 0.00 2.66 0.00 -1.26 -5.29 105.19 101.41 2ysi n GLY 39 Ca 0.06 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.31 2ysi n GLY 39 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70