#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 -0.83 -0.32 1.61 1.04 -1.26 -5.13 113.70 108.82 2ys2 s SER 2 Ca 0.00 0.95 0.00 0.00 0.48 0.00 0.00 55.95 57.38 2ys2 s SER 2 Cb 0.00 1.87 0.10 0.00 0.10 0.00 0.00 66.02 68.09 2ys2 s SER 2 CO 0.00 -0.16 0.09 -0.55 0.98 0.00 0.00 173.24 173.60 2ys2 s SER 3 N 2.69 4.17 -0.74 7.02 0.15 -1.26 -5.02 113.70 120.72 2ys2 s SER 3 Ca 0.00 -1.77 0.02 0.00 0.70 0.00 0.00 55.95 54.90 2ys2 s SER 3 Cb -0.09 -1.03 0.34 0.00 -1.71 0.00 0.00 66.02 63.53 2ys2 s SER 3 CO -0.18 -0.40 1.35 0.61 1.20 0.00 0.00 173.24 175.82 2ys2 n GLY 4 N 4.69 5.84 3.51 9.45 0.00 -1.26 -5.02 105.19 122.40 2ys2 n GLY 4 Ca -0.00 -2.69 -0.27 0.00 0.00 0.00 0.00 46.02 43.05 2ys2 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ys2 s SER 5 N -2.57 3.95 -0.20 1.61 0.15 -1.26 -5.07 113.70 110.31 2ys2 s SER 5 Ca 0.46 -0.67 -0.15 0.00 0.70 0.00 0.00 55.95 56.28 2ys2 s SER 5 Cb 0.27 -0.55 -0.10 0.00 -1.71 0.00 0.00 66.02 63.93 2ys2 s SER 5 CO -0.16 0.12 -0.13 -1.20 1.20 0.00 0.00 173.24 173.06 2ys2 n SER 6 N 0.19 1.88 -4.11 5.45 7.64 -1.26 -4.92 113.62 118.49 2ys2 n SER 6 Ca -0.12 0.46 -0.33 0.00 1.01 0.00 0.00 58.87 59.89 2ys2 n SER 6 Cb 0.55 -0.86 -0.16 0.00 -1.01 0.00 0.00 64.21 62.73 2ys2 n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2ys2 s GLY 7 N -4.80 1.35 0.36 0.23 0.00 -1.26 -5.11 107.32 98.09 2ys2 s GLY 7 Ca -0.26 -1.17 -0.25 0.00 0.00 0.00 0.00 44.72 43.03 2ys2 s GLY 7 CO 0.42 0.30 1.01 0.54 0.00 0.00 0.00 173.10 175.38 2ys2 s ASN 8 N 1.30 7.03 0.17 1.64 2.20 -1.26 -5.01 114.94 121.01 2ys2 s ASN 8 Ca 0.05 1.98 -0.30 0.00 -0.94 0.00 0.00 52.86 53.64 2ys2 s ASN 8 Cb -0.13 -2.59 -0.08 0.00 -2.00 0.00 0.00 41.25 36.45 2ys2 s ASN 8 CO -0.12 -0.29 1.32 -2.16 -2.94 0.00 0.00 177.10 172.91 2ys2 s PRO 9 N -2.24 4.37 0.11 3.55 0.04 -1.26 -4.99 135.00 134.59 2ys2 s PRO 9 Ca 0.54 2.04 -0.30 0.00 0.04 0.00 0.00 61.00 63.31 2ys2 s PRO 9 Cb -0.21 -3.22 -0.07 0.00 0.04 0.00 0.00 34.50 31.04 2ys2 s PRO 9 CO 0.27 -0.30 1.22 -1.01 0.04 0.00 0.00 177.00 177.22 2ys2 s HIS 10 N 0.42 3.41 -0.24 0.56 3.76 -1.26 -5.02 115.29 116.92 2ys2 s HIS 10 Ca 0.59 1.30 -0.21 0.00 -0.15 0.00 0.00 55.06 56.59 2ys2 s HIS 10 Cb -0.36 -3.45 0.06 0.00 1.11 0.00 0.00 32.58 29.94 2ys2 s HIS 10 CO 0.36 -1.38 0.63 -1.17 -0.85 0.00 0.00 174.74 172.32 2ys2 s LEU 11 N 0.62 -0.44 -1.57 0.89 0.20 -1.26 -4.93 118.68 112.18 2ys2 s LEU 11 Ca 0.57 1.27 -0.11 0.00 0.69 0.00 0.00 54.13 56.55 2ys2 s LEU 11 Cb -0.31 2.15 0.09 0.00 -0.43 0.00 0.00 46.19 47.68 2ys2 s LEU 11 CO 0.32 -0.22 0.69 0.18 -0.29 0.00 0.00 176.35 177.03 2ys2 n LEU 12 N 2.95 -2.02 -4.66 -0.68 4.77 -1.26 -4.89 117.00 111.21 2ys2 n LEU 12 Ca -0.15 -0.97 -0.35 0.00 -0.03 0.00 0.00 56.01 54.51 2ys2 n LEU 12 Cb 0.56 -2.21 -0.10 0.00 -2.33 0.00 0.00 43.42 39.34 2ys2 n LEU 12 CO 0.05 0.37 -0.31 0.68 -1.33 0.00 0.00 177.39 176.86 2ys2 s VAL 13 N -3.52 4.32 0.00 4.08 -7.23 -1.26 -3.87 120.40 112.92 2ys2 s VAL 13 Ca 0.47 -0.23 0.00 0.00 -1.81 0.00 0.00 61.98 60.41 2ys2 s VAL 13 Cb -0.25 -2.84 0.00 0.00 0.56 0.00 0.00 36.38 33.84 2ys2 s VAL 13 CO 0.90 0.58 0.00 0.29 -0.31 0.00 0.00 175.10 176.55 2ys2 n LYS 14 N 2.48 0.00 -3.83 4.82 5.02 -1.26 -4.82 118.16 120.57 2ys2 n LYS 14 Ca -0.18 0.00 0.01 0.00 -2.02 0.00 0.00 58.31 56.12 2ys2 n LYS 14 Cb 0.53 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.55 2ys2 n LYS 14 CO 0.00 0.00 0.00 1.52 -0.52 0.00 0.00 177.40 178.40 2ys2 s TYR 15 N -0.65 0.00 -0.15 2.13 1.13 -1.26 -4.90 117.35 113.64 2ys2 s TYR 15 Ca 0.00 -0.16 -0.00 0.00 -1.41 0.00 0.00 57.07 55.50 2ys2 s TYR 15 Cb 0.00 0.58 0.04 0.00 -1.10 0.00 0.00 41.96 41.47 2ys2 s TYR 15 CO 0.00 -0.37 -0.06 -1.01 -2.51 0.00 0.00 175.55 171.60 2ys2 s HIS 16 N -2.23 1.67 -0.12 -3.49 3.76 -1.26 -3.28 115.29 110.33 2ys2 s HIS 16 Ca 0.22 -1.01 -0.01 0.00 -0.15 0.00 0.00 55.06 54.11 2ys2 s HIS 16 Cb 0.01 -1.31 0.03 0.00 1.11 0.00 0.00 32.58 32.42 2ys2 s HIS 16 CO -0.01 -0.59 2.30 0.45 -0.85 0.00 0.00 174.74 176.04 2ys2 n SER 17 N 4.89 5.74 -3.69 1.40 2.88 -1.26 -4.83 113.62 118.74 2ys2 n SER 17 Ca -0.12 -2.67 -0.06 0.00 -1.33 0.00 0.00 58.87 54.69 2ys2 n SER 17 Cb 0.48 -1.16 -0.01 0.00 -0.75 0.00 0.00 64.21 62.77 2ys2 n SER 17 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2ys2 s GLY 18 N 1.36 -0.05 0.44 0.46 0.00 -1.26 -4.65 107.32 103.62 2ys2 s GLY 18 Ca 0.23 -0.27 0.03 0.00 0.00 0.00 0.00 44.72 44.72 2ys2 s GLY 18 CO -0.02 0.00 0.63 -1.36 0.00 0.00 0.00 173.10 172.35 2ys2 s PHE 19 N -3.49 3.03 -0.37 1.90 0.08 -1.26 -4.73 117.98 113.15 2ys2 s PHE 19 Ca 0.12 -0.06 -0.06 0.00 0.12 0.00 0.00 56.93 57.06 2ys2 s PHE 19 Cb -0.05 -2.36 0.06 0.00 -0.57 0.00 0.00 43.02 40.11 2ys2 s PHE 19 CO 0.06 -0.42 0.15 0.12 -0.10 0.00 0.00 175.22 175.04 2ys2 s PHE 20 N -2.48 3.33 0.01 0.36 5.36 -1.26 0.12 117.98 123.42 2ys2 s PHE 20 Ca 0.51 -1.65 0.03 0.00 -0.96 0.00 0.00 56.93 54.86 2ys2 s PHE 20 Cb -0.10 -2.59 -0.01 0.00 -0.34 0.00 0.00 43.02 39.98 2ys2 s PHE 20 CO 0.35 -0.81 -0.09 0.08 -1.46 0.00 0.00 175.22 173.30 2ys2 s VAL 21 N 1.35 0.65 -1.24 3.12 1.01 -0.02 -4.82 120.40 120.46 2ys2 s VAL 21 Ca 0.01 -0.62 -0.07 0.00 0.00 0.00 0.00 61.98 61.30 2ys2 s VAL 21 Cb -0.21 -0.60 0.01 0.00 0.00 0.00 0.00 36.38 35.58 2ys2 s VAL 21 CO 0.01 -0.00 1.07 0.47 0.00 0.00 0.00 175.10 176.65 2ys2 n ASP 22 N 2.36 -5.35 -3.78 3.32 9.92 -1.26 -2.40 116.55 119.36 2ys2 n ASP 22 Ca -0.16 -0.52 -0.27 0.00 -0.53 0.00 0.00 54.79 53.31 2ys2 n ASP 22 Cb 0.56 -4.74 0.05 0.00 -0.64 0.00 0.00 41.12 36.35 2ys2 n ASP 22 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2ys2 n GLY 23 N -1.77 -0.48 3.63 0.44 0.00 -1.26 -4.96 105.19 100.79 2ys2 n GLY 23 Ca -0.04 0.20 -0.07 0.00 0.00 0.00 0.00 46.02 46.11 2ys2 n GLY 23 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2ys2 s LYS 24 N -6.40 0.34 0.92 1.61 -2.85 -1.01 -4.46 119.74 107.89 2ys2 s LYS 24 Ca 0.53 0.33 -0.11 0.00 -1.00 0.00 0.00 55.97 55.73 2ys2 s LYS 24 Cb -0.26 0.16 0.14 0.00 -2.06 0.00 0.00 37.83 35.82 2ys2 s LYS 24 CO 0.79 -0.05 1.10 -0.06 0.10 0.00 0.00 175.35 177.23 2ys2 s PHE 25 N -0.08 1.97 -1.27 1.78 0.08 -1.25 -0.84 117.98 118.38 2ys2 s PHE 25 Ca 0.04 1.50 0.17 0.00 0.12 0.00 0.00 56.93 58.75 2ys2 s PHE 25 Cb -0.04 -3.19 -0.06 0.00 -0.57 0.00 0.00 43.02 39.16 2ys2 s PHE 25 CO -0.09 -2.65 0.81 1.28 -0.10 0.00 0.00 175.22 174.47 2ys2 n LEU 26 N -4.10 1.35 -0.11 -0.37 7.99 0.32 -2.95 117.00 119.14 2ys2 n LEU 26 Ca 0.08 -0.67 -0.21 0.00 -0.01 0.00 0.00 56.01 55.20 2ys2 n LEU 26 Cb 0.53 0.00 -0.10 0.00 -0.11 0.00 0.00 43.42 43.75 2ys2 n LEU 26 CO 0.53 0.27 -0.73 0.00 -1.51 0.00 0.00 177.39 175.96 2ys2 n GLN 29 N -1.96 -4.95 -2.95 0.00 1.13 -1.15 -4.99 117.38 102.51 2ys2 n GLN 29 Ca -0.01 0.66 -0.21 0.00 -1.94 0.00 0.00 57.00 55.50 2ys2 n GLN 29 Cb 0.46 -5.28 0.02 0.00 0.11 0.00 0.00 30.24 25.55 2ys2 n GLN 29 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 2ys2 s GLN 30 N -5.81 2.85 -0.66 -1.09 -0.21 -1.26 -4.89 119.66 108.59 2ys2 s GLN 30 Ca 0.04 -0.79 -0.01 0.00 0.02 0.00 0.00 55.36 54.61 2ys2 s GLN 30 Cb -0.01 -2.61 0.43 0.00 1.00 0.00 0.00 33.01 31.83 2ys2 s GLN 30 CO 0.80 -0.37 1.95 0.43 -2.12 0.00 0.00 175.29 175.98 2ys2 n SER 31 N -2.06 7.42 -3.75 5.90 7.64 -1.26 -3.81 113.62 123.69 2ys2 n SER 31 Ca 0.04 -3.79 -0.13 0.00 1.01 0.00 0.00 58.87 56.01 2ys2 n SER 31 Cb 0.59 -0.93 -0.11 0.00 -1.01 0.00 0.00 64.21 62.74 2ys2 n SER 31 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ys2 h LYS 33 N 6.02 0.32 -1.44 0.00 3.64 -1.91 -3.33 116.57 119.87 2ys2 h LYS 33 Ca -0.29 -0.54 -0.41 0.00 -1.27 0.00 0.00 60.65 58.14 2ys2 h LYS 33 Cb 1.18 0.20 -0.17 0.00 -0.41 0.00 0.00 32.23 33.03 2ys2 h LYS 33 CO 0.32 1.26 0.52 0.00 -2.27 0.00 0.00 179.45 179.27 2ys2 n ALA 34 N -2.72 5.45 -1.79 5.00 0.00 -1.26 -4.96 120.51 120.22 2ys2 n ALA 34 Ca -0.16 -2.12 -0.35 0.00 0.00 0.00 0.00 53.44 50.81 2ys2 n ALA 34 Cb 0.87 -1.50 -0.04 0.00 0.00 0.00 0.00 19.45 18.77 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 -2.24 2.99 0.75 0.00 0.00 -1.25 -5.03 121.76 116.98 2ys2 s ALA 35 Ca 0.40 0.62 -0.11 0.00 0.00 0.00 0.00 51.96 52.86 2ys2 s ALA 35 Cb 0.31 -3.25 0.05 0.00 0.00 0.00 0.00 23.12 20.23 2ys2 s ALA 35 CO -0.02 -0.20 1.10 -1.25 0.00 0.00 0.00 175.76 175.39 2ys2 s PRO 36 N -2.87 2.35 -0.32 0.00 0.04 -1.26 -4.87 135.00 128.07 2ys2 s PRO 36 Ca 0.62 1.21 -0.37 0.00 0.04 0.00 0.00 61.00 62.51 2ys2 s PRO 36 Cb -0.18 -1.91 -0.13 0.00 0.04 0.00 0.00 34.50 32.33 2ys2 s PRO 36 CO 0.22 -1.57 2.06 0.41 0.04 0.00 0.00 177.00 178.16 2ys2 n GLY 37 N -1.06 0.63 0.12 0.56 0.00 -1.25 -4.82 105.19 99.36 2ys2 n GLY 37 Ca 0.09 0.94 -0.08 0.00 0.00 0.00 0.00 46.02 46.98 2ys2 n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ys2 s THR 39 N -3.21 5.19 0.19 0.00 2.01 -1.25 -5.08 115.64 113.49 2ys2 s THR 39 Ca -0.02 0.44 0.03 0.00 0.31 0.00 0.00 61.69 62.44 2ys2 s THR 39 Cb 0.10 -3.61 -0.03 0.00 0.01 0.00 0.00 72.50 68.97 2ys2 s THR 39 CO 0.82 0.42 0.33 -0.76 -0.69 0.00 0.00 174.62 174.74 2ys2 s LEU 40 N -1.55 4.31 0.23 4.42 1.43 -1.26 -4.47 118.68 121.80 2ys2 s LEU 40 Ca 0.27 0.16 -0.09 0.00 -1.03 0.00 0.00 54.13 53.44 2ys2 s LEU 40 Cb -0.14 -2.93 0.38 0.00 0.03 0.00 0.00 46.19 43.53 2ys2 s LEU 40 CO 0.15 -0.01 1.64 -0.50 0.23 0.00 0.00 176.35 177.85 2ys2 h TRP 41 N 1.75 -0.12 -0.06 0.29 -0.00 -2.00 0.13 115.95 115.95 2ys2 h TRP 41 Ca -0.50 0.06 -0.08 0.00 -0.00 0.00 0.00 58.89 58.37 2ys2 h TRP 41 Cb 1.21 0.16 -0.03 0.00 -0.00 0.00 0.00 29.16 30.50 2ys2 h TRP 41 CO 0.50 -0.24 -0.05 -0.85 -0.00 0.00 0.00 178.44 177.80 2ys2 n GLU 42 N -5.36 1.33 -1.63 0.49 -0.00 -1.26 -4.94 120.64 109.27 2ys2 n GLU 42 Ca 0.12 -0.40 -0.63 0.00 -0.00 0.00 0.00 57.16 56.25 2ys2 n GLU 42 Cb 0.43 -1.31 -0.09 0.00 -0.00 0.00 0.00 31.44 30.47 2ys2 n GLU 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2ys2 n ALA 43 N 1.64 -2.31 -0.04 -1.84 0.00 0.45 -4.89 120.51 113.52 2ys2 n ALA 43 Ca 0.13 0.54 -0.01 0.00 0.00 0.00 0.00 53.44 54.10 2ys2 n ALA 43 Cb 0.61 -1.87 -0.00 0.00 0.00 0.00 0.00 19.45 18.18 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 4.20 0.00 -0.54 0.00 3.20 -1.92 -3.44 116.97 118.46 2ys2 h TYR 44 Ca -0.47 0.00 -0.51 0.00 3.14 0.00 0.00 58.73 60.89 2ys2 h TYR 44 Cb 1.39 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 39.61 2ys2 h TYR 44 CO 0.62 0.00 1.69 0.43 -1.64 0.00 0.00 178.16 179.26 2ys2 n SER 45 N -3.98 1.02 0.00 -2.11 7.64 -1.26 -4.77 113.62 110.16 2ys2 n SER 45 Ca -0.02 -0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.86 2ys2 n SER 45 Cb 0.06 -1.14 0.00 0.00 -1.01 0.00 0.00 64.21 62.12 2ys2 n SER 45 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ys2 n GLY 46 N 6.39 3.63 0.00 0.23 0.00 -1.26 -5.00 105.19 109.17 2ys2 n GLY 46 Ca 0.56 -0.89 0.06 0.00 0.00 0.00 0.00 46.02 45.75 2ys2 n GLY 46 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2ys2 n PRO 47 N 0.00 0.49 -1.11 1.61 -0.04 -1.26 -4.88 135.00 129.80 2ys2 n PRO 47 Ca 0.00 0.00 -0.44 0.00 -0.04 0.00 0.00 63.50 63.02 2ys2 n PRO 47 Cb 0.00 -1.39 -0.06 0.00 -0.04 0.00 0.00 33.50 32.01 2ys2 n PRO 47 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2ys2 n SER 48 N -0.89 -0.03 -0.06 3.54 3.41 -1.26 -4.88 113.62 113.45 2ys2 n SER 48 Ca 0.09 0.86 -0.11 0.00 -0.26 0.00 0.00 58.87 59.45 2ys2 n SER 48 Cb 0.04 -0.68 -0.05 0.00 -0.26 0.00 0.00 64.21 63.26 2ys2 n SER 48 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2ys2 n SER 49 N 1.13 1.80 0.00 4.04 3.41 -1.26 -5.19 113.62 117.54 2ys2 n SER 49 Ca 0.15 0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.82 2ys2 n SER 49 Cb 0.06 -0.29 0.00 0.00 -0.26 0.00 0.00 64.21 63.72 2ys2 n SER 49 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49