#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 -1.59 -3.65 1.61 0.02 -2.08 -3.42 113.55 104.44 2ysi h SER 2 Ca 0.00 0.17 -0.43 0.00 -0.84 0.00 0.00 61.79 60.70 2ysi h SER 2 Cb 0.00 0.60 0.18 0.00 0.14 0.00 0.00 62.40 63.32 2ysi h SER 2 CO 0.00 -0.52 0.16 -0.94 -1.14 0.00 0.00 176.83 174.39 2ysi s SER 3 N -4.64 1.57 0.00 3.07 1.04 -1.26 -4.98 113.70 108.51 2ysi s SER 3 Ca -0.16 0.82 0.00 0.00 0.48 0.00 0.00 55.95 57.09 2ysi s SER 3 Cb 0.06 -1.21 0.00 0.00 0.10 0.00 0.00 66.02 64.97 2ysi s SER 3 CO 0.59 -3.74 0.00 0.61 0.98 0.00 0.00 173.24 171.68 2ysi n GLY 4 N -1.08 1.83 3.21 7.32 0.00 -1.26 -5.15 105.19 110.06 2ysi n GLY 4 Ca 0.10 -0.71 -0.24 0.00 0.00 0.00 0.00 46.02 45.17 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 0.00 2.19 -1.54 1.61 0.01 -1.26 -4.75 113.70 109.96 2ysi s SER 5 Ca 0.00 -0.48 -0.14 0.00 1.31 0.00 0.00 55.95 56.64 2ysi s SER 5 Cb 0.00 -0.18 0.09 0.00 0.21 0.00 0.00 66.02 66.14 2ysi s SER 5 CO 0.00 0.13 0.99 -1.20 0.41 0.00 0.00 173.24 173.57 2ysi n SER 6 N 1.96 -4.85 -2.71 2.44 7.64 -1.26 -4.88 113.62 111.96 2ysi n SER 6 Ca -0.17 -0.78 -0.07 0.00 1.01 0.00 0.00 58.87 58.86 2ysi n SER 6 Cb 0.54 -3.87 0.08 0.00 -1.01 0.00 0.00 64.21 59.95 2ysi n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ysi n GLY 7 N -1.69 -0.29 0.60 0.23 0.00 -1.26 -4.98 105.19 97.81 2ysi n GLY 7 Ca 0.05 0.35 0.01 0.00 0.00 0.00 0.00 46.02 46.43 2ysi n GLY 7 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2ysi n THR 8 N 0.92 0.35 -4.59 2.61 -1.04 -1.26 -4.83 114.28 106.44 2ysi n THR 8 Ca 0.04 -0.19 -0.27 0.00 -2.04 0.00 0.00 64.05 61.59 2ysi n THR 8 Cb 0.69 -0.36 -0.11 0.00 -1.82 0.00 0.00 70.33 68.73 2ysi n THR 8 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2ysi s GLU 9 N -1.37 1.91 0.53 -2.82 8.01 -1.26 -5.16 118.70 118.53 2ysi s GLU 9 Ca 0.08 -2.05 0.05 0.00 0.01 0.00 0.00 54.97 53.06 2ysi s GLU 9 Cb 0.06 -1.63 0.03 0.00 -4.31 0.00 0.00 34.13 28.27 2ysi s GLU 9 CO 0.03 -0.00 0.35 -1.21 0.01 0.00 0.00 175.26 174.44 2ysi s GLU 10 N -3.69 2.26 0.00 1.61 0.41 -1.26 -5.00 118.70 113.03 2ysi s GLU 10 Ca 0.34 -2.03 0.10 0.00 -0.41 0.00 0.00 54.97 52.96 2ysi s GLU 10 Cb 0.08 -2.04 0.57 0.00 -1.78 0.00 0.00 34.13 30.95 2ysi s GLU 10 CO 0.17 -0.55 1.27 -0.89 -0.49 0.00 0.00 175.26 174.77 2ysi n ILE 11 N -1.68 0.00 -2.02 -1.63 5.41 -1.26 -4.83 119.36 113.35 2ysi n ILE 11 Ca -0.03 0.00 -0.30 0.00 1.00 0.00 0.00 62.75 63.42 2ysi n ILE 11 Cb 0.64 -0.22 0.03 0.00 -0.71 0.00 0.00 39.64 39.38 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 3.45 -0.05 1.39 0.52 -1.26 -3.75 118.94 117.23 2ysi s TRP 12 Ca 0.14 1.06 0.04 0.00 0.02 0.00 0.00 56.10 57.36 2ysi s TRP 12 Cb 0.07 -2.83 -0.02 0.00 -1.15 0.00 0.00 33.47 29.53 2ysi s TRP 12 CO 0.11 -0.87 -0.16 0.08 0.02 0.00 0.00 176.95 176.13 2ysi s VAL 13 N -3.19 2.94 -0.29 4.03 1.01 0.22 -4.87 120.40 120.25 2ysi s VAL 13 Ca 0.55 -0.76 -0.26 0.00 0.00 0.00 0.00 61.98 61.51 2ysi s VAL 13 Cb -0.11 -2.15 0.01 0.00 0.00 0.00 0.00 36.38 34.13 2ysi s VAL 13 CO 0.51 0.58 0.92 -0.70 0.00 0.00 0.00 175.10 176.41 2ysi s GLU 14 N -0.60 4.06 0.32 2.72 2.12 -1.26 -1.07 118.70 125.00 2ysi s GLU 14 Ca 0.09 0.89 0.05 0.00 0.36 0.00 0.00 54.97 56.35 2ysi s GLU 14 Cb -0.11 -3.71 -0.03 0.00 0.26 0.00 0.00 34.13 30.54 2ysi s GLU 14 CO 0.01 -0.72 0.22 -0.80 -0.54 0.00 0.00 175.26 173.43 2ysi s ASN 15 N 1.53 1.65 -0.12 -1.70 0.01 -0.35 -5.01 114.94 110.96 2ysi s ASN 15 Ca 0.38 -1.67 -0.04 0.00 -0.71 0.00 0.00 52.86 50.83 2ysi s ASN 15 Cb -0.14 0.50 0.06 0.00 0.41 0.00 0.00 41.25 42.08 2ysi s ASN 15 CO 0.12 -0.98 0.20 -0.75 -1.51 0.00 0.00 177.10 174.17 2ysi s LYS 16 N -3.64 0.09 0.88 -0.60 2.47 -1.26 0.03 119.74 117.70 2ysi s LYS 16 Ca 0.37 0.55 -0.14 0.00 -1.56 0.00 0.00 55.97 55.19 2ysi s LYS 16 Cb 0.03 -0.37 0.01 0.00 -1.46 0.00 0.00 37.83 36.05 2ysi s LYS 16 CO 0.22 -0.36 0.44 0.25 0.16 0.00 0.00 175.35 176.06 2ysi n THR 17 N 5.33 0.59 0.98 3.43 -2.24 0.57 -4.80 114.28 118.14 2ysi n THR 17 Ca -0.05 -0.26 0.02 0.00 -2.27 0.00 0.00 64.05 61.49 2ysi n THR 17 Cb 0.50 -0.66 0.12 0.00 -2.10 0.00 0.00 70.33 68.19 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 -1.36 0.49 -0.08 -0.78 -0.04 -1.26 -2.31 135.00 129.66 2ysi n PRO 18 Ca 0.08 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.45 2ysi n PRO 18 Cb 0.52 -1.13 -0.11 0.00 -0.04 0.00 0.00 33.50 32.74 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 -0.63 1.57 0.00 3.54 2.03 -1.26 -5.02 116.55 116.78 2ysi n ASP 19 Ca 0.03 -0.02 0.00 0.00 0.52 0.00 0.00 54.79 55.32 2ysi n ASP 19 Cb 0.01 0.60 0.00 0.00 -0.72 0.00 0.00 41.12 41.01 2ysi n ASP 19 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2ysi n GLY 20 N 2.19 0.79 2.73 0.27 0.00 -0.98 -5.15 105.19 105.04 2ysi n GLY 20 Ca -0.27 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.04 0.04 1.61 3.01 -1.26 -4.97 119.74 118.13 2ysi s LYS 21 Ca 0.00 0.38 -0.30 0.00 -1.01 0.00 0.00 55.97 55.03 2ysi s LYS 21 Cb 0.00 -0.41 -0.05 0.00 -1.01 0.00 0.00 37.83 36.36 2ysi s LYS 21 CO 0.00 -0.29 1.16 0.08 0.51 0.00 0.00 175.35 176.81 2ysi s VAL 22 N 1.95 4.21 0.35 3.17 1.01 -1.26 -0.32 120.40 129.51 2ysi s VAL 22 Ca 0.02 1.58 0.04 0.00 0.00 0.00 0.00 61.98 63.61 2ysi s VAL 22 Cb -0.12 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.21 2ysi s VAL 22 CO -0.04 0.11 0.14 -0.72 0.00 0.00 0.00 175.10 174.59 2ysi s TYR 23 N 1.12 1.73 -0.10 5.22 1.13 0.10 -4.78 117.35 121.79 2ysi s TYR 23 Ca 0.57 -1.28 0.03 0.00 -1.41 0.00 0.00 57.07 54.98 2ysi s TYR 23 Cb -0.28 -1.04 0.00 0.00 -1.10 0.00 0.00 41.96 39.55 2ysi s TYR 23 CO 0.28 -0.36 -0.21 0.71 -2.51 0.00 0.00 175.55 173.47 2ysi s TYR 24 N -3.40 2.31 -0.17 -3.49 2.02 -0.80 -1.22 117.35 112.61 2ysi s TYR 24 Ca 0.31 -0.97 -0.03 0.00 -0.37 0.00 0.00 57.07 56.01 2ysi s TYR 24 Cb 0.04 -1.57 -0.02 0.00 -0.40 0.00 0.00 41.96 40.01 2ysi s TYR 24 CO 0.16 -0.41 -0.06 -0.47 -1.57 0.00 0.00 175.55 173.20 2ysi s TYR 25 N 0.50 2.96 -0.08 2.71 5.04 -0.23 -0.01 117.35 128.24 2ysi s TYR 25 Ca -0.16 -0.51 -0.23 0.00 -2.44 0.00 0.00 57.07 53.73 2ysi s TYR 25 Cb -0.17 -1.97 -0.03 0.00 0.35 0.00 0.00 41.96 40.13 2ysi s TYR 25 CO 0.06 -0.19 0.70 1.21 -1.34 0.00 0.00 175.55 175.99 2ysi s ASN 26 N 0.63 6.97 0.37 4.32 3.04 0.13 0.70 114.94 131.11 2ysi s ASN 26 Ca -0.03 1.17 0.23 0.00 0.04 0.00 0.00 52.86 54.26 2ysi s ASN 26 Cb -0.15 -2.41 0.30 0.00 -1.54 0.00 0.00 41.25 37.46 2ysi s ASN 26 CO 0.02 -0.14 1.50 0.00 -3.04 0.00 0.00 177.10 175.45 2ysi h ALA 27 N 6.82 0.89 0.11 1.71 0.00 -1.88 0.41 119.26 127.32 2ysi h ALA 27 Ca -0.40 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.29 2ysi h ALA 27 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2ysi h ALA 27 CO 0.76 0.00 -1.10 -0.09 0.00 0.00 0.00 179.25 178.82 2ysi h ARG 28 N 0.00 0.23 0.00 0.00 1.12 -1.92 -3.37 114.38 110.44 2ysi h ARG 28 Ca 0.00 -0.39 0.00 0.00 -1.11 0.00 0.00 59.98 58.48 2ysi h ARG 28 Cb 0.98 0.14 0.00 0.00 -0.01 0.00 0.00 29.97 31.08 2ysi h ARG 28 CO 0.00 1.19 -1.46 0.25 -3.11 0.00 0.00 179.97 176.84 2ysi n THR 29 N -4.08 0.21 -2.82 0.20 -2.24 -1.25 -4.98 114.28 99.32 2ysi n THR 29 Ca -0.21 -0.43 -0.16 0.00 -2.27 0.00 0.00 64.05 60.99 2ysi n THR 29 Cb 0.83 0.00 0.03 0.00 -2.10 0.00 0.00 70.33 69.09 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 -2.27 -3.56 -4.37 -0.78 1.74 0.14 -5.02 116.66 102.54 2ysi n ARG 30 Ca -0.01 0.63 -0.28 0.00 -0.77 0.00 0.00 57.85 57.41 2ysi n ARG 30 Cb 0.52 -4.90 -0.07 0.00 -1.02 0.00 0.00 32.46 26.99 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 -5.38 2.16 -0.04 5.56 0.41 -1.14 -4.88 118.70 115.40 2ysi s GLU 31 Ca 0.22 -2.08 0.02 0.00 -0.41 0.00 0.00 54.97 52.72 2ysi s GLU 31 Cb -0.10 -1.80 0.01 0.00 -1.78 0.00 0.00 34.13 30.46 2ysi s GLU 31 CO 0.28 -0.25 -0.06 -1.12 -0.49 0.00 0.00 175.26 173.62 2ysi s SER 32 N -3.92 1.02 -0.15 -0.19 0.01 -1.26 0.23 113.70 109.45 2ysi s SER 32 Ca 0.29 -0.15 -0.07 0.00 1.31 0.00 0.00 55.95 57.33 2ysi s SER 32 Cb 0.04 -0.42 0.06 0.00 0.21 0.00 0.00 66.02 65.91 2ysi s SER 32 CO 0.16 -0.01 0.34 0.00 0.41 0.00 0.00 173.24 174.14 2ysi s ALA 33 N 0.63 -0.83 0.10 1.44 0.00 0.98 -4.95 121.76 119.13 2ysi s ALA 33 Ca -0.09 1.26 -0.19 0.00 0.00 0.00 0.00 51.96 52.94 2ysi s ALA 33 Cb -0.12 -0.93 -0.04 0.00 0.00 0.00 0.00 23.12 22.02 2ysi s ALA 33 CO 0.01 -0.40 1.01 0.91 0.00 0.00 0.00 175.76 177.28 2ysi n TRP 34 N 4.66 -0.27 -4.06 0.00 5.03 -1.26 -1.90 117.44 119.63 2ysi n TRP 34 Ca -0.18 0.77 -0.22 0.00 3.03 0.00 0.00 57.50 60.91 2ysi n TRP 34 Cb 0.52 -0.54 -0.04 0.00 -1.03 0.00 0.00 31.31 30.22 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 -5.15 4.19 0.17 -0.99 -1.32 -1.26 -3.62 115.64 107.66 2ysi s THR 35 Ca -0.07 -1.43 -0.15 0.00 -1.21 0.00 0.00 61.69 58.82 2ysi s THR 35 Cb 0.07 -3.32 -0.07 0.00 -1.51 0.00 0.00 72.50 67.66 2ysi s THR 35 CO 0.38 -0.31 0.60 -0.54 -2.21 0.00 0.00 174.62 172.54 2ysi s LYS 36 N -3.87 4.04 0.77 7.08 1.02 -1.26 -4.88 119.74 122.64 2ysi s LYS 36 Ca 0.34 0.58 -0.11 0.00 0.02 0.00 0.00 55.97 56.80 2ysi s LYS 36 Cb -0.07 -2.89 0.05 0.00 -0.52 0.00 0.00 37.83 34.40 2ysi s LYS 36 CO 0.25 0.44 1.09 -1.25 -0.92 0.00 0.00 175.35 174.96 2ysi s PRO 37 N -2.03 2.28 0.66 -1.68 0.04 -1.26 -5.06 135.00 127.95 2ysi s PRO 37 Ca 0.40 1.19 -0.02 0.00 0.04 0.00 0.00 61.00 62.61 2ysi s PRO 37 Cb -0.15 -1.90 0.08 0.00 0.04 0.00 0.00 34.50 32.57 2ysi s PRO 37 CO 0.20 -1.63 0.93 0.34 0.04 0.00 0.00 177.00 176.87 2ysi s ASP 38 N -3.32 4.79 -1.16 6.66 2.15 -1.26 -4.56 116.67 119.96 2ysi s ASP 38 Ca 0.62 0.02 -0.13 0.00 0.43 0.00 0.00 52.55 53.48 2ysi s ASP 38 Cb -0.17 -0.66 -0.02 0.00 -0.30 0.00 0.00 42.92 41.77 2ysi s ASP 38 CO 0.55 -1.54 0.79 0.61 -0.17 0.00 0.00 175.17 175.40 2ysi n GLY 39 N -2.70 -0.88 0.00 2.66 0.00 -1.26 -5.22 105.19 97.79 2ysi n GLY 39 Ca 0.10 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.54 2ysi n GLY 39 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70