#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 6.27 0.02 1.61 0.01 -1.26 -5.04 113.70 115.32 2ys2 s SER 2 Ca 0.00 -0.50 0.01 0.00 1.31 0.00 0.00 55.95 56.77 2ys2 s SER 2 Cb 0.00 -2.29 -0.01 0.00 0.21 0.00 0.00 66.02 63.93 2ys2 s SER 2 CO 0.00 -0.72 -0.04 -0.94 0.41 0.00 0.00 173.24 171.94 2ys2 s SER 3 N 1.99 0.46 -0.64 2.44 1.04 -1.26 -5.11 113.70 112.63 2ys2 s SER 3 Ca 0.18 -0.33 0.05 0.00 0.48 0.00 0.00 55.95 56.33 2ys2 s SER 3 Cb -0.15 0.03 0.17 0.00 0.10 0.00 0.00 66.02 66.16 2ys2 s SER 3 CO 0.17 -0.13 0.46 -0.83 0.98 0.00 0.00 173.24 173.88 2ys2 s GLY 4 N -0.93 2.59 0.07 7.32 0.00 -1.26 -5.08 107.32 110.03 2ys2 s GLY 4 Ca -0.07 -3.56 0.06 0.00 0.00 0.00 0.00 44.72 41.15 2ys2 s GLY 4 CO -0.00 1.28 -0.17 -1.35 0.00 0.00 0.00 173.10 172.86 2ys2 s SER 5 N -1.13 2.00 -0.14 1.64 1.04 -1.26 -5.15 113.70 110.69 2ys2 s SER 5 Ca 0.26 -0.58 -0.23 0.00 0.48 0.00 0.00 55.95 55.87 2ys2 s SER 5 Cb -0.04 -0.11 0.06 0.00 0.10 0.00 0.00 66.02 66.04 2ys2 s SER 5 CO -0.17 0.01 0.59 -0.94 0.98 0.00 0.00 173.24 173.71 2ys2 s SER 6 N -1.57 -0.58 0.00 7.02 1.04 -1.26 -5.07 113.70 113.28 2ys2 s SER 6 Ca 0.02 0.91 0.00 0.00 0.48 0.00 0.00 55.95 57.37 2ys2 s SER 6 Cb -0.09 0.90 0.00 0.00 0.10 0.00 0.00 66.02 66.93 2ys2 s SER 6 CO 0.02 -0.36 0.00 0.61 0.98 0.00 0.00 173.24 174.49 2ys2 n GLY 7 N 2.00 -2.34 3.13 7.32 0.00 -1.26 -5.01 105.19 109.02 2ys2 n GLY 7 Ca -0.16 -0.36 -0.37 0.00 0.00 0.00 0.00 46.02 45.13 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 0.00 6.12 0.00 1.61 -0.87 -1.26 -4.88 114.94 115.66 2ys2 s ASN 8 Ca 0.00 -3.73 0.14 0.00 -1.57 0.00 0.00 52.86 47.69 2ys2 s ASN 8 Cb 0.00 -1.93 0.81 0.00 -0.02 0.00 0.00 41.25 40.11 2ys2 s ASN 8 CO 0.00 -0.19 1.23 -0.81 -2.57 0.00 0.00 177.10 174.77 2ys2 n PRO 9 N 2.34 0.48 -4.27 -0.60 -0.04 -1.26 -4.84 135.00 126.81 2ys2 n PRO 9 Ca 0.22 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.32 2ys2 n PRO 9 Cb 0.37 -1.44 -0.04 0.00 -0.04 0.00 0.00 33.50 32.35 2ys2 n PRO 9 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 2ys2 n HIS 10 N -0.94 -1.58 0.21 0.54 1.44 -1.26 -4.78 115.22 108.86 2ys2 n HIS 10 Ca 0.10 0.76 0.14 0.00 -2.01 0.00 0.00 57.72 56.70 2ys2 n HIS 10 Cb 0.05 -2.80 0.75 0.00 0.12 0.00 0.00 29.99 28.11 2ys2 n HIS 10 CO 0.00 0.00 0.00 1.37 -2.81 0.00 0.00 176.34 174.90 2ys2 h LEU 11 N -1.43 0.00 0.00 2.39 -0.00 -1.99 -3.29 115.31 110.99 2ys2 h LEU 11 Ca -0.60 0.00 -0.07 0.00 -0.00 0.00 0.00 57.88 57.21 2ys2 h LEU 11 Cb 1.38 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 42.04 2ys2 h LEU 11 CO 0.78 0.00 -0.94 -0.11 -0.00 0.00 0.00 178.44 178.18 2ys2 n LEU 12 N -4.21 1.56 -3.20 0.17 7.94 -1.26 -4.91 117.00 113.08 2ys2 n LEU 12 Ca 0.00 0.25 -0.43 0.00 -1.11 0.00 0.00 56.01 54.72 2ys2 n LEU 12 Cb 0.23 -0.58 -0.06 0.00 0.53 0.00 0.00 43.42 43.54 2ys2 n LEU 12 CO 0.32 -0.27 0.49 0.52 -1.11 0.00 0.00 177.39 177.35 2ys2 n VAL 13 N -4.04 0.00 -1.86 1.96 0.31 -1.24 -4.75 118.33 108.71 2ys2 n VAL 13 Ca -0.15 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.76 2ys2 n VAL 13 Cb 0.42 -0.08 -0.03 0.00 -0.91 0.00 0.00 33.84 33.24 2ys2 n VAL 13 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2ys2 s LYS 14 N 0.49 4.18 0.40 5.55 1.02 -1.26 -4.93 119.74 125.18 2ys2 s LYS 14 Ca 0.66 2.43 0.08 0.00 0.02 0.00 0.00 55.97 59.16 2ys2 s LYS 14 Cb -0.93 -3.46 -0.04 0.00 -0.52 0.00 0.00 37.83 32.88 2ys2 s LYS 14 CO 0.44 -0.74 0.26 1.52 -0.92 0.00 0.00 175.35 175.91 2ys2 s TYR 15 N 2.24 2.69 -0.29 3.18 -0.85 -1.24 -3.49 117.35 119.58 2ys2 s TYR 15 Ca 0.75 -0.49 -0.10 0.00 -0.52 0.00 0.00 57.07 56.71 2ys2 s TYR 15 Cb -0.43 -1.97 -0.03 0.00 0.38 0.00 0.00 41.96 39.91 2ys2 s TYR 15 CO 0.33 0.10 0.16 -1.01 -1.52 0.00 0.00 175.55 173.61 2ys2 s HIS 16 N -2.50 3.18 -0.32 -3.49 3.76 -1.26 -1.98 115.29 112.68 2ys2 s HIS 16 Ca 0.43 -0.28 -0.02 0.00 -0.15 0.00 0.00 55.06 55.04 2ys2 s HIS 16 Cb -0.01 -2.36 0.15 0.00 1.11 0.00 0.00 32.58 31.47 2ys2 s HIS 16 CO 0.25 -0.34 2.25 0.45 -0.85 0.00 0.00 174.74 176.50 2ys2 n SER 17 N 5.01 6.36 -1.51 1.40 2.88 -1.26 -4.87 113.62 121.64 2ys2 n SER 17 Ca -0.14 -3.04 -0.03 0.00 -1.33 0.00 0.00 58.87 54.33 2ys2 n SER 17 Cb 0.51 -1.12 0.01 0.00 -0.75 0.00 0.00 64.21 62.86 2ys2 n SER 17 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ys2 n GLY 18 N 0.61 1.91 3.76 0.46 0.00 -1.26 -4.61 105.19 106.05 2ys2 n GLY 18 Ca 0.33 -1.14 -0.29 0.00 0.00 0.00 0.00 46.02 44.92 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 -6.63 2.13 -0.34 1.61 0.08 -1.26 -4.85 117.98 108.72 2ys2 s PHE 19 Ca 0.05 -0.79 -0.03 0.00 0.12 0.00 0.00 56.93 56.29 2ys2 s PHE 19 Cb -0.01 -1.79 0.07 0.00 -0.57 0.00 0.00 43.02 40.72 2ys2 s PHE 19 CO 0.04 0.13 0.08 0.12 -0.10 0.00 0.00 175.22 175.49 2ys2 s PHE 20 N -2.76 3.38 0.01 0.36 5.36 -1.26 -0.47 117.98 122.61 2ys2 s PHE 20 Ca 0.25 -2.02 0.03 0.00 -0.96 0.00 0.00 56.93 54.23 2ys2 s PHE 20 Cb 0.03 -2.53 -0.01 0.00 -0.34 0.00 0.00 43.02 40.17 2ys2 s PHE 20 CO 0.14 -0.85 -0.09 0.08 -1.46 0.00 0.00 175.22 173.04 2ys2 s VAL 21 N 1.23 0.69 -1.12 3.12 1.01 0.36 -4.83 120.40 120.85 2ys2 s VAL 21 Ca 0.00 -0.57 -0.03 0.00 0.00 0.00 0.00 61.98 61.38 2ys2 s VAL 21 Cb -0.21 -0.62 0.00 0.00 0.00 0.00 0.00 36.38 35.56 2ys2 s VAL 21 CO -0.02 0.05 0.95 -0.67 0.00 0.00 0.00 175.10 175.42 2ys2 n ASP 22 N 2.48 -3.32 -3.31 3.32 -0.08 -1.26 -2.40 116.55 111.98 2ys2 n ASP 22 Ca -0.16 -0.53 -0.24 0.00 -1.51 0.00 0.00 54.79 52.35 2ys2 n ASP 22 Cb 0.56 -4.62 0.02 0.00 2.34 0.00 0.00 41.12 39.42 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 -1.36 -0.51 3.72 0.27 0.00 -1.26 -4.93 105.19 101.12 2ys2 n GLY 23 Ca -0.17 0.13 -0.05 0.00 0.00 0.00 0.00 46.02 45.93 2ys2 n GLY 23 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ys2 s LYS 24 N -5.99 1.20 0.80 1.61 1.02 -1.01 -4.89 119.74 112.48 2ys2 s LYS 24 Ca 0.41 -0.64 -0.04 0.00 0.02 0.00 0.00 55.97 55.72 2ys2 s LYS 24 Cb -0.20 0.43 0.16 0.00 -0.52 0.00 0.00 37.83 37.70 2ys2 s LYS 24 CO 0.50 -0.55 1.10 -0.06 -0.92 0.00 0.00 175.35 175.42 2ys2 s PHE 25 N -3.33 1.39 -0.01 3.18 0.08 -1.26 0.13 117.98 118.17 2ys2 s PHE 25 Ca 0.11 -0.19 0.01 0.00 0.12 0.00 0.00 56.93 56.97 2ys2 s PHE 25 Cb -0.02 -3.29 -0.02 0.00 -0.57 0.00 0.00 43.02 39.13 2ys2 s PHE 25 CO 0.01 -2.04 0.01 1.28 -0.10 0.00 0.00 175.22 174.38 2ys2 n LEU 26 N -3.11 0.00 0.07 -0.37 4.32 0.38 -3.73 117.00 114.57 2ys2 n LEU 26 Ca 0.16 0.00 -0.22 0.00 -0.02 0.00 0.00 56.01 55.93 2ys2 n LEU 26 Cb 0.60 0.01 -0.15 0.00 -1.62 0.00 0.00 43.42 42.27 2ys2 n LEU 26 CO 0.42 0.01 -0.25 0.00 -1.22 0.00 0.00 177.39 176.35 2ys2 n GLN 29 N -2.07 -6.01 -1.49 0.00 1.13 -1.24 -4.98 117.38 102.72 2ys2 n GLN 29 Ca -0.05 0.70 -0.30 0.00 -1.94 0.00 0.00 57.00 55.41 2ys2 n GLN 29 Cb 0.55 -5.32 0.22 0.00 0.11 0.00 0.00 30.24 25.79 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 -5.53 -0.36 -0.19 -1.09 -1.52 -1.26 -4.72 119.66 104.99 2ys2 s GLN 30 Ca 0.20 -0.24 -0.16 0.00 -1.95 0.00 0.00 55.36 53.21 2ys2 s GLN 30 Cb -0.09 -1.71 -0.12 0.00 -0.22 0.00 0.00 33.01 30.87 2ys2 s GLN 30 CO 0.61 -3.11 -0.01 0.45 -0.25 0.00 0.00 175.29 172.98 2ys2 n SER 31 N -4.29 1.85 -4.80 5.90 2.88 -1.26 -4.12 113.62 109.77 2ys2 n SER 31 Ca 0.14 0.50 -0.30 0.00 -1.33 0.00 0.00 58.87 57.88 2ys2 n SER 31 Cb 0.59 -0.91 0.09 0.00 -0.75 0.00 0.00 64.21 63.24 2ys2 n SER 31 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2ys2 n LYS 33 N -3.43 0.62 -0.61 0.00 5.02 -1.26 -4.27 118.16 114.23 2ys2 n LYS 33 Ca 0.07 0.42 -0.05 0.00 -2.02 0.00 0.00 58.31 56.74 2ys2 n LYS 33 Cb 0.56 -1.68 0.01 0.00 -0.02 0.00 0.00 35.03 33.90 2ys2 n LYS 33 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2ys2 n ALA 34 N -3.45 4.33 -1.72 7.82 0.00 -1.26 -4.92 120.51 121.30 2ys2 n ALA 34 Ca -0.37 -0.47 -0.32 0.00 0.00 0.00 0.00 53.44 52.28 2ys2 n ALA 34 Cb 0.82 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 19.16 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 -0.49 2.85 0.15 0.00 0.00 -1.26 -5.00 121.76 118.01 2ys2 s ALA 35 Ca 0.09 0.27 -0.31 0.00 0.00 0.00 0.00 51.96 52.01 2ys2 s ALA 35 Cb 0.07 -3.18 -0.08 0.00 0.00 0.00 0.00 23.12 19.93 2ys2 s ALA 35 CO -0.00 -0.67 1.33 -1.25 0.00 0.00 0.00 175.76 175.17 2ys2 s PRO 36 N -4.24 4.36 0.04 0.00 0.04 -1.26 -4.90 135.00 129.04 2ys2 s PRO 36 Ca 0.61 2.04 -0.27 0.00 0.04 0.00 0.00 61.00 63.42 2ys2 s PRO 36 Cb -0.14 -3.23 -0.14 0.00 0.04 0.00 0.00 34.50 31.04 2ys2 s PRO 36 CO 0.38 -0.33 0.68 0.41 0.04 0.00 0.00 177.00 178.18 2ys2 n GLY 37 N 2.89 -0.49 0.10 0.56 0.00 -1.23 -4.86 105.19 102.17 2ys2 n GLY 37 Ca 0.09 0.47 -0.15 0.00 0.00 0.00 0.00 46.02 46.43 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 -2.64 3.75 0.00 0.00 2.01 -0.84 -4.81 115.64 113.12 2ys2 s THR 39 Ca -0.06 0.90 0.00 0.00 0.31 0.00 0.00 61.69 62.83 2ys2 s THR 39 Cb 0.07 -3.63 0.00 0.00 0.01 0.00 0.00 72.50 68.96 2ys2 s THR 39 CO 0.86 -0.13 0.15 0.00 -0.69 0.00 0.00 174.62 174.80 2ys2 n LEU 40 N 7.34 0.29 -1.58 4.42 -0.00 -1.26 -3.61 117.00 122.60 2ys2 n LEU 40 Ca 0.17 -0.39 -0.04 0.00 -0.00 0.00 0.00 56.01 55.75 2ys2 n LEU 40 Cb 0.44 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.87 2ys2 n LEU 40 CO 0.62 0.07 1.04 0.79 -0.00 0.00 0.00 177.39 179.90 2ys2 n TRP 41 N -0.20 0.42 -2.67 1.47 8.01 -1.26 -4.91 117.44 118.30 2ys2 n TRP 41 Ca 0.00 -1.23 -0.33 0.00 -1.31 0.00 0.00 57.50 54.63 2ys2 n TRP 41 Cb 0.08 -0.61 -0.06 0.00 -2.01 0.00 0.00 31.31 28.71 2ys2 n TRP 41 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.69 175.47 2ys2 s GLU 42 N -0.49 4.13 -0.22 -0.99 2.02 -1.26 -5.07 118.70 116.81 2ys2 s GLU 42 Ca 0.08 1.06 -0.08 0.00 0.02 0.00 0.00 54.97 56.06 2ys2 s GLU 42 Cb 0.07 -2.16 0.10 0.00 0.10 0.00 0.00 34.13 32.23 2ys2 s GLU 42 CO -0.00 -0.12 0.48 0.00 0.02 0.00 0.00 175.26 175.64 2ys2 s ALA 43 N -2.34 -1.39 -0.49 5.21 0.00 -1.26 -5.04 121.76 116.45 2ys2 s ALA 43 Ca 0.61 1.72 0.02 0.00 0.00 0.00 0.00 51.96 54.32 2ys2 s ALA 43 Cb -0.09 -1.44 0.47 0.00 0.00 0.00 0.00 23.12 22.05 2ys2 s ALA 43 CO 0.20 -0.80 1.67 0.98 0.00 0.00 0.00 175.76 177.81 2ys2 n TYR 44 N 5.40 2.91 -0.10 0.00 9.36 -1.26 -4.62 117.16 128.84 2ys2 n TYR 44 Ca -0.10 -2.59 -0.16 0.00 3.32 0.00 0.00 57.90 58.38 2ys2 n TYR 44 Cb 0.49 -0.95 -0.05 0.00 -0.63 0.00 0.00 39.34 38.20 2ys2 n TYR 44 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 2ys2 n SER 45 N -0.86 1.94 -3.69 2.98 2.88 -1.26 -5.06 113.62 110.54 2ys2 n SER 45 Ca 0.54 0.35 -0.14 0.00 -1.33 0.00 0.00 58.87 58.29 2ys2 n SER 45 Cb 0.84 -0.78 -0.08 0.00 -0.75 0.00 0.00 64.21 63.44 2ys2 n SER 45 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2ys2 s GLY 46 N -5.06 -0.31 0.00 0.46 0.00 -1.26 -5.02 107.32 96.13 2ys2 s GLY 46 Ca -0.31 0.89 0.15 0.00 0.00 0.00 0.00 44.72 45.45 2ys2 s GLY 46 CO 0.44 0.66 1.36 -1.55 0.00 0.00 0.00 173.10 174.01 2ys2 n PRO 47 N 1.76 0.41 -2.68 2.90 -0.04 -1.26 -4.60 135.00 131.50 2ys2 n PRO 47 Ca -0.18 0.04 -0.42 0.00 -0.04 0.00 0.00 63.50 62.90 2ys2 n PRO 47 Cb 0.56 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.49 2ys2 n PRO 47 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2ys2 s SER 48 N -2.15 6.23 0.45 3.54 0.01 -1.26 -4.99 113.70 115.53 2ys2 s SER 48 Ca 0.21 -0.51 0.03 0.00 1.31 0.00 0.00 55.95 56.99 2ys2 s SER 48 Cb 0.10 -2.50 -0.04 0.00 0.21 0.00 0.00 66.02 63.80 2ys2 s SER 48 CO 0.19 -1.59 0.03 -0.44 0.41 0.00 0.00 173.24 171.84 2ys2 s SER 49 N 3.49 3.63 0.00 2.44 0.01 -1.26 -5.15 113.70 116.85 2ys2 s SER 49 Ca 0.32 -1.56 0.00 0.00 1.31 0.00 0.00 55.95 56.02 2ys2 s SER 49 Cb -0.11 0.24 0.00 0.00 0.21 0.00 0.00 66.02 66.36 2ys2 s SER 49 CO 0.16 -0.75 0.33 0.61 0.41 0.00 0.00 173.24 173.99