#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ys2 s SER 2 N 0.00 5.20 -0.74 1.61 0.15 -1.26 -5.05 113.70 113.61 2ys2 s SER 2 Ca 0.00 -2.37 -0.27 0.00 0.70 0.00 0.00 55.95 54.02 2ys2 s SER 2 Cb 0.00 -1.82 0.03 0.00 -1.71 0.00 0.00 66.02 62.51 2ys2 s SER 2 CO 0.00 -0.47 1.29 -0.44 1.20 0.00 0.00 173.24 174.83 2ys2 s SER 3 N 1.32 6.15 0.00 5.45 0.01 -1.26 -4.95 113.70 120.41 2ys2 s SER 3 Ca 0.12 -0.45 0.00 0.00 1.31 0.00 0.00 55.95 56.93 2ys2 s SER 3 Cb -0.22 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.45 2ys2 s SER 3 CO -0.04 -1.85 0.00 0.61 0.41 0.00 0.00 173.24 172.37 2ys2 n GLY 4 N 5.40 2.18 3.82 3.44 0.00 -1.26 -5.10 105.19 113.68 2ys2 n GLY 4 Ca 0.04 -1.60 -0.30 0.00 0.00 0.00 0.00 46.02 44.15 2ys2 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ys2 s SER 5 N -0.76 4.93 -0.35 1.61 0.01 -1.26 -5.00 113.70 112.87 2ys2 s SER 5 Ca 0.00 1.38 0.06 0.00 1.31 0.00 0.00 55.95 58.70 2ys2 s SER 5 Cb 0.00 -2.18 0.45 0.00 0.21 0.00 0.00 66.02 64.50 2ys2 s SER 5 CO 0.00 -1.70 1.23 -1.54 0.41 0.00 0.00 173.24 171.63 2ys2 n SER 6 N -3.27 5.06 0.00 2.44 3.41 -1.26 -5.09 113.62 114.91 2ys2 n SER 6 Ca 0.07 -3.75 0.00 0.00 -0.26 0.00 0.00 58.87 54.93 2ys2 n SER 6 Cb 0.55 -0.41 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 2ys2 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ys2 n GLY 7 N -0.67 0.70 3.85 5.00 0.00 -1.26 -4.64 105.19 108.17 2ys2 n GLY 7 Ca 0.44 -0.85 -0.36 0.00 0.00 0.00 0.00 46.02 45.25 2ys2 n GLY 7 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2ys2 s ASN 8 N -4.00 6.77 -1.00 1.61 0.01 -1.26 -4.99 114.94 112.07 2ys2 s ASN 8 Ca 0.00 0.96 -0.24 0.00 -0.71 0.00 0.00 52.86 52.87 2ys2 s ASN 8 Cb 0.00 -2.24 -0.06 0.00 0.41 0.00 0.00 41.25 39.35 2ys2 s ASN 8 CO 0.00 0.17 1.94 -2.16 -1.51 0.00 0.00 177.10 175.54 2ys2 s PRO 9 N -1.77 2.53 -0.79 -0.60 0.04 -1.26 -4.91 135.00 128.24 2ys2 s PRO 9 Ca 0.33 -0.59 -0.18 0.00 0.04 0.00 0.00 61.00 60.60 2ys2 s PRO 9 Cb -0.15 -5.13 0.14 0.00 0.04 0.00 0.00 34.50 29.40 2ys2 s PRO 9 CO 0.18 -3.59 0.91 -3.38 0.04 0.00 0.00 177.00 171.16 2ys2 s HIS 10 N 10.42 3.21 -0.12 0.56 -3.43 -1.26 -4.82 115.29 119.84 2ys2 s HIS 10 Ca 0.70 -1.36 -0.06 0.00 -0.80 0.00 0.00 55.06 53.54 2ys2 s HIS 10 Cb -0.05 -4.10 -0.26 0.00 -1.43 0.00 0.00 32.58 26.74 2ys2 s HIS 10 CO 0.04 -1.33 0.37 1.47 -2.00 0.00 0.00 174.74 173.30 2ys2 n LEU 11 N 5.95 2.58 -4.21 5.38 -0.00 -1.26 -4.70 117.00 120.75 2ys2 n LEU 11 Ca 0.10 0.21 -0.41 0.00 -0.00 0.00 0.00 56.01 55.92 2ys2 n LEU 11 Cb 0.46 -1.08 -0.07 0.00 -0.00 0.00 0.00 43.42 42.74 2ys2 n LEU 11 CO 0.49 0.84 0.09 -0.22 -0.00 0.00 0.00 177.39 178.60 2ys2 s LEU 12 N -7.01 5.81 0.09 1.47 2.96 -1.26 -5.06 118.68 115.68 2ys2 s LEU 12 Ca -0.22 -2.34 0.08 0.00 -0.22 0.00 0.00 54.13 51.43 2ys2 s LEU 12 Cb 0.07 -2.01 -0.04 0.00 0.50 0.00 0.00 46.19 44.71 2ys2 s LEU 12 CO 0.77 -0.58 -0.19 0.68 -1.32 0.00 0.00 176.35 175.71 2ys2 s VAL 13 N 0.71 2.76 -0.96 1.68 -7.23 -1.26 -5.07 120.40 111.02 2ys2 s VAL 13 Ca 0.11 -1.40 -0.21 0.00 -1.81 0.00 0.00 61.98 58.67 2ys2 s VAL 13 Cb -0.21 -2.22 0.08 0.00 0.56 0.00 0.00 36.38 34.59 2ys2 s VAL 13 CO -0.03 0.20 1.30 -0.54 -0.31 0.00 0.00 175.10 175.72 2ys2 s LYS 14 N -1.84 3.57 0.55 4.82 1.02 -1.26 -4.88 119.74 121.72 2ys2 s LYS 14 Ca 0.16 -1.34 0.05 0.00 0.02 0.00 0.00 55.97 54.86 2ys2 s LYS 14 Cb -0.10 -5.11 0.05 0.00 -0.52 0.00 0.00 37.83 32.14 2ys2 s LYS 14 CO 0.08 -2.02 0.42 1.52 -0.92 0.00 0.00 175.35 174.43 2ys2 s TYR 15 N 4.06 1.54 -0.29 3.18 -0.85 -1.26 -3.13 117.35 120.60 2ys2 s TYR 15 Ca 0.40 -0.86 -0.07 0.00 -0.52 0.00 0.00 57.07 56.02 2ys2 s TYR 15 Cb -0.03 -1.91 0.01 0.00 0.38 0.00 0.00 41.96 40.41 2ys2 s TYR 15 CO -0.08 -0.53 0.07 -1.01 -1.52 0.00 0.00 175.55 172.48 2ys2 s HIS 16 N -2.79 3.13 -0.03 -3.49 3.76 -1.26 -3.29 115.29 111.32 2ys2 s HIS 16 Ca 0.34 -0.96 -0.03 0.00 -0.15 0.00 0.00 55.06 54.26 2ys2 s HIS 16 Cb -0.02 -2.24 -0.11 0.00 1.11 0.00 0.00 32.58 31.31 2ys2 s HIS 16 CO 0.21 -0.57 2.79 -1.13 -0.85 0.00 0.00 174.74 175.19 2ys2 n SER 17 N 4.86 5.39 0.00 1.40 3.41 -1.26 -4.78 113.62 122.64 2ys2 n SER 17 Ca -0.15 -2.50 0.00 0.00 -0.26 0.00 0.00 58.87 55.96 2ys2 n SER 17 Cb 0.48 -1.27 0.00 0.00 -0.26 0.00 0.00 64.21 63.17 2ys2 n SER 17 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ys2 n GLY 18 N 1.89 3.94 3.25 5.00 0.00 -1.26 -4.64 105.19 113.37 2ys2 n GLY 18 Ca 0.23 -0.82 -0.16 0.00 0.00 0.00 0.00 46.02 45.27 2ys2 n GLY 18 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2ys2 s PHE 19 N -1.21 1.44 -0.52 1.61 0.08 -1.26 -4.91 117.98 113.21 2ys2 s PHE 19 Ca 0.00 -1.47 -0.07 0.00 0.12 0.00 0.00 56.93 55.51 2ys2 s PHE 19 Cb 0.00 -0.67 0.13 0.00 -0.57 0.00 0.00 43.02 41.92 2ys2 s PHE 19 CO 0.00 -0.69 0.37 0.12 -0.10 0.00 0.00 175.22 174.92 2ys2 s PHE 20 N -3.83 3.49 -0.05 0.36 5.36 -1.26 -1.39 117.98 120.66 2ys2 s PHE 20 Ca 0.39 -2.17 0.04 0.00 -0.96 0.00 0.00 56.93 54.24 2ys2 s PHE 20 Cb 0.05 -3.41 -0.00 0.00 -0.34 0.00 0.00 43.02 39.32 2ys2 s PHE 20 CO 0.18 -0.96 -0.17 0.08 -1.46 0.00 0.00 175.22 172.89 2ys2 s VAL 21 N 0.94 1.46 -0.88 3.12 1.01 0.24 -4.75 120.40 121.55 2ys2 s VAL 21 Ca 0.09 -0.73 -0.05 0.00 0.00 0.00 0.00 61.98 61.30 2ys2 s VAL 21 Cb -0.23 -1.26 0.01 0.00 0.00 0.00 0.00 36.38 34.90 2ys2 s VAL 21 CO -0.03 0.42 0.76 -0.67 0.00 0.00 0.00 175.10 175.59 2ys2 n ASP 22 N 3.20 -4.54 -3.58 3.32 -0.08 -1.26 -2.88 116.55 110.74 2ys2 n ASP 22 Ca -0.18 -0.36 -0.26 0.00 -1.51 0.00 0.00 54.79 52.48 2ys2 n ASP 22 Cb 0.53 -3.47 0.04 0.00 2.34 0.00 0.00 41.12 40.56 2ys2 n ASP 22 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2ys2 n GLY 23 N -1.44 -0.52 3.55 0.27 0.00 -1.26 -4.96 105.19 100.83 2ys2 n GLY 23 Ca -0.02 0.19 -0.11 0.00 0.00 0.00 0.00 46.02 46.09 2ys2 n GLY 23 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2ys2 s LYS 24 N -6.29 0.70 0.96 1.61 2.20 -1.14 -4.66 119.74 113.12 2ys2 s LYS 24 Ca 0.55 0.03 -0.14 0.00 -0.36 0.00 0.00 55.97 56.05 2ys2 s LYS 24 Cb -0.26 0.33 0.17 0.00 -1.51 0.00 0.00 37.83 36.56 2ys2 s LYS 24 CO 0.67 -0.25 1.16 -0.06 -0.36 0.00 0.00 175.35 176.52 2ys2 s PHE 25 N -1.67 2.10 -0.04 4.03 0.08 -1.15 -0.59 117.98 120.74 2ys2 s PHE 25 Ca -0.01 0.73 0.05 0.00 0.12 0.00 0.00 56.93 57.82 2ys2 s PHE 25 Cb -0.01 -3.50 -0.06 0.00 -0.57 0.00 0.00 43.02 38.88 2ys2 s PHE 25 CO -0.00 -2.62 0.04 1.28 -0.10 0.00 0.00 175.22 173.81 2ys2 n LEU 26 N -3.91 0.00 -0.03 -0.37 4.32 -0.49 -3.56 117.00 112.96 2ys2 n LEU 26 Ca 0.09 0.00 -0.13 0.00 -0.02 0.00 0.00 56.01 55.94 2ys2 n LEU 26 Cb 0.59 0.09 -0.11 0.00 -1.62 0.00 0.00 43.42 42.38 2ys2 n LEU 26 CO 0.54 0.09 0.57 0.00 -1.22 0.00 0.00 177.39 177.37 2ys2 n GLN 29 N -1.05 -1.06 -2.81 0.00 3.00 -1.23 -4.79 117.38 109.44 2ys2 n GLN 29 Ca 0.14 0.08 -0.43 0.00 -0.01 0.00 0.00 57.00 56.78 2ys2 n GLN 29 Cb 0.69 -3.39 -0.04 0.00 0.00 0.00 0.00 30.24 27.50 2ys2 n GLN 29 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 2ys2 s GLN 30 N -5.21 3.20 0.39 -1.09 -0.21 -1.26 -4.64 119.66 110.85 2ys2 s GLN 30 Ca 0.51 -0.54 0.23 0.00 0.02 0.00 0.00 55.36 55.57 2ys2 s GLN 30 Cb -0.30 -4.15 1.29 0.00 1.00 0.00 0.00 33.01 30.84 2ys2 s GLN 30 CO 0.62 -1.73 1.64 0.77 -2.12 0.00 0.00 175.29 174.47 2ys2 h SER 31 N 9.52 0.36 -3.93 5.90 0.02 -1.86 -3.05 113.55 120.51 2ys2 h SER 31 Ca -0.28 0.17 -0.52 0.00 -0.84 0.00 0.00 61.79 60.32 2ys2 h SER 31 Cb 1.07 0.15 0.07 0.00 0.14 0.00 0.00 62.40 63.83 2ys2 h SER 31 CO 1.16 -0.20 0.61 0.00 -1.14 0.00 0.00 176.83 177.26 2ys2 h LYS 33 N 2.89 0.05 -1.79 0.00 1.57 -1.96 -3.36 116.57 113.96 2ys2 h LYS 33 Ca -0.49 -0.09 -0.14 0.00 -1.87 0.00 0.00 60.65 58.06 2ys2 h LYS 33 Cb 1.24 0.03 -0.06 0.00 0.08 0.00 0.00 32.23 33.52 2ys2 h LYS 33 CO 0.63 1.04 0.18 0.00 -0.57 0.00 0.00 179.45 180.73 2ys2 n ALA 34 N -3.13 4.46 -1.85 3.86 0.00 -1.26 -4.92 120.51 117.67 2ys2 n ALA 34 Ca -0.26 -0.69 -0.30 0.00 0.00 0.00 0.00 53.44 52.19 2ys2 n ALA 34 Cb 0.68 -1.16 0.04 0.00 0.00 0.00 0.00 19.45 19.02 2ys2 n ALA 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ys2 s ALA 35 N -0.77 2.91 0.39 0.00 0.00 -1.26 -5.03 121.76 118.01 2ys2 s ALA 35 Ca 0.13 -0.24 -0.26 0.00 0.00 0.00 0.00 51.96 51.59 2ys2 s ALA 35 Cb 0.10 -3.05 -0.09 0.00 0.00 0.00 0.00 23.12 20.08 2ys2 s ALA 35 CO -0.00 -1.04 1.20 -1.25 0.00 0.00 0.00 175.76 174.67 2ys2 s PRO 36 N -5.28 4.10 -0.58 0.00 0.04 -1.26 -4.88 135.00 127.14 2ys2 s PRO 36 Ca 0.57 1.91 -0.28 0.00 0.04 0.00 0.00 61.00 63.25 2ys2 s PRO 36 Cb -0.11 -2.75 -0.11 0.00 0.04 0.00 0.00 34.50 31.57 2ys2 s PRO 36 CO 0.53 -0.30 2.46 0.41 0.04 0.00 0.00 177.00 180.14 2ys2 n GLY 37 N 0.69 0.09 0.34 0.56 0.00 -1.18 -4.76 105.19 100.93 2ys2 n GLY 37 Ca 0.04 0.79 0.18 0.00 0.00 0.00 0.00 46.02 47.03 2ys2 n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ys2 h THR 39 N 0.00 0.78 -1.05 0.00 1.35 -1.85 -3.45 112.91 108.69 2ys2 h THR 39 Ca 0.05 -0.24 -0.48 0.00 -0.55 0.00 0.00 66.41 65.18 2ys2 h THR 39 Cb 0.55 1.14 0.10 0.00 -1.73 0.00 0.00 68.15 68.21 2ys2 h THR 39 CO -0.00 0.06 -0.59 0.00 -0.25 0.00 0.00 175.52 174.75 2ys2 n LEU 40 N -4.08 -1.67 -4.43 3.87 -0.00 0.23 -4.72 117.00 106.20 2ys2 n LEU 40 Ca -0.03 0.71 -0.43 0.00 -0.00 0.00 0.00 56.01 56.26 2ys2 n LEU 40 Cb 0.15 -0.68 -0.00 0.00 -0.00 0.00 0.00 43.42 42.89 2ys2 n LEU 40 CO 0.31 -2.79 0.01 -2.67 -0.00 0.00 0.00 177.39 172.26 2ys2 n TRP 41 N -0.46 -0.62 -4.15 1.47 2.14 -1.26 -4.99 117.44 109.57 2ys2 n TRP 41 Ca 0.10 0.66 -0.10 0.00 2.07 0.00 0.00 57.50 60.24 2ys2 n TRP 41 Cb 0.25 -1.97 -0.10 0.00 -0.81 0.00 0.00 31.31 28.68 2ys2 n TRP 41 CO 0.00 0.00 0.00 -1.21 2.07 0.00 0.00 177.69 178.55 2ys2 s GLU 42 N -1.41 0.89 -0.70 -2.67 2.02 -1.26 -5.06 118.70 110.51 2ys2 s GLU 42 Ca 0.62 -1.41 -0.25 0.00 0.02 0.00 0.00 54.97 53.95 2ys2 s GLU 42 Cb -0.66 0.17 -0.17 0.00 0.10 0.00 0.00 34.13 33.58 2ys2 s GLU 42 CO 0.59 -0.21 2.00 0.00 0.02 0.00 0.00 175.26 177.66 2ys2 n ALA 43 N -0.07 0.21 0.15 5.21 0.00 -1.26 -4.80 120.51 119.96 2ys2 n ALA 43 Ca -0.07 -0.15 -0.06 0.00 0.00 0.00 0.00 53.44 53.15 2ys2 n ALA 43 Cb 0.63 -1.72 -0.03 0.00 0.00 0.00 0.00 19.45 18.33 2ys2 n ALA 43 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 2ys2 h TYR 44 N 8.83 -0.39 -2.34 0.00 3.20 -2.03 -3.49 116.97 120.74 2ys2 h TYR 44 Ca -0.04 -0.01 0.25 0.00 3.14 0.00 0.00 58.73 62.06 2ys2 h TYR 44 Cb 1.02 0.13 -0.05 0.00 1.54 0.00 0.00 36.73 39.37 2ys2 h TYR 44 CO 0.82 -0.24 0.73 -1.54 -1.64 0.00 0.00 178.16 176.29 2ys2 s SER 45 N -3.67 0.01 -0.20 -2.11 1.04 -1.26 -5.20 113.70 102.32 2ys2 s SER 45 Ca -0.06 -0.46 -0.36 0.00 0.48 0.00 0.00 55.95 55.55 2ys2 s SER 45 Cb 0.01 0.34 0.15 0.00 0.10 0.00 0.00 66.02 66.61 2ys2 s SER 45 CO 0.18 -0.67 1.35 -0.83 0.98 0.00 0.00 173.24 174.26 2ys2 s GLY 46 N -3.59 -0.31 -1.05 7.32 0.00 -1.26 -5.08 107.32 103.35 2ys2 s GLY 46 Ca 0.25 1.51 -0.24 0.00 0.00 0.00 0.00 44.72 46.24 2ys2 s GLY 46 CO 0.03 0.46 1.94 2.56 0.00 0.00 0.00 173.10 178.08 2ys2 s PRO 47 N -2.15 2.52 0.20 2.90 0.04 -1.26 -4.92 135.00 132.33 2ys2 s PRO 47 Ca 0.12 -0.74 0.08 0.00 0.04 0.00 0.00 61.00 60.51 2ys2 s PRO 47 Cb 0.02 -5.16 -0.04 0.00 0.04 0.00 0.00 34.50 29.36 2ys2 s PRO 47 CO -0.04 -3.70 -0.17 0.45 0.04 0.00 0.00 177.00 173.58 2ys2 s SER 48 N 7.25 2.72 -0.39 6.66 0.15 -1.26 -5.12 113.70 123.71 2ys2 s SER 48 Ca 0.69 -0.96 -0.08 0.00 0.70 0.00 0.00 55.95 56.31 2ys2 s SER 48 Cb -0.04 -0.16 0.07 0.00 -1.71 0.00 0.00 66.02 64.18 2ys2 s SER 48 CO 0.07 -0.09 0.20 -0.55 1.20 0.00 0.00 173.24 174.06 2ys2 s SER 49 N -3.07 5.49 0.00 5.45 0.15 -1.26 -5.30 113.70 115.16 2ys2 s SER 49 Ca 0.20 -1.41 0.00 0.00 0.70 0.00 0.00 55.95 55.44 2ys2 s SER 49 Cb -0.03 -1.93 0.00 0.00 -1.71 0.00 0.00 66.02 62.35 2ys2 s SER 49 CO 0.08 -0.46 0.00 0.61 1.20 0.00 0.00 173.24 174.67