#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ys2 h SER 2 N 0.00 -0.14 -3.93 1.61 0.02 -2.14 -3.45 113.55 105.53 2ys2 h SER 2 Ca 0.00 -0.39 -0.46 0.00 -0.84 0.00 0.00 61.79 60.09 2ys2 h SER 2 Cb 0.00 0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 2ys2 h SER 2 CO 0.00 0.37 0.26 -0.55 -1.14 0.00 0.00 176.83 175.77 2ys2 s SER 3 N -5.51 6.94 -0.24 3.07 0.15 -1.26 -5.05 113.70 111.79 2ys2 s SER 3 Ca -0.14 1.57 -0.07 0.00 0.70 0.00 0.00 55.95 58.01 2ys2 s SER 3 Cb 0.01 -2.49 -0.03 0.00 -1.71 0.00 0.00 66.02 61.80 2ys2 s SER 3 CO 0.57 -0.27 0.06 -0.83 1.20 0.00 0.00 173.24 173.97 2ys2 s GLY 4 N -2.13 1.75 0.14 9.45 0.00 -1.26 -5.09 107.32 110.18 2ys2 s GLY 4 Ca 0.58 -1.12 0.11 0.00 0.00 0.00 0.00 44.72 44.29 2ys2 s GLY 4 CO 0.16 0.51 -0.26 -0.45 0.00 0.00 0.00 173.10 173.05 2ys2 s SER 5 N 1.56 3.30 -0.16 1.64 0.15 -1.26 -5.13 113.70 113.79 2ys2 s SER 5 Ca 0.06 -0.78 0.00 0.00 0.70 0.00 0.00 55.95 55.94 2ys2 s SER 5 Cb -0.15 -0.22 0.00 0.00 -1.71 0.00 0.00 66.02 63.94 2ys2 s SER 5 CO 0.03 0.16 -0.16 -0.55 1.20 0.00 0.00 173.24 173.92 2ys2 s SER 6 N -2.21 3.59 -1.11 5.45 0.15 -1.26 -5.05 113.70 113.26 2ys2 s SER 6 Ca 0.15 -0.50 -0.06 0.00 0.70 0.00 0.00 55.95 56.24 2ys2 s SER 6 Cb -0.09 -1.55 0.28 0.00 -1.71 0.00 0.00 66.02 62.95 2ys2 s SER 6 CO 0.07 0.07 1.41 0.61 1.20 0.00 0.00 173.24 176.59 2ys2 n GLY 7 N 4.17 4.79 3.35 9.45 0.00 -1.26 -4.96 105.19 120.74 2ys2 n GLY 7 Ca -0.19 -2.57 -0.15 0.00 0.00 0.00 0.00 46.02 43.10 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 -0.49 -0.38 0.00 1.61 -0.87 -1.26 -5.02 114.94 108.53 2ys2 s ASN 8 Ca 0.32 0.32 0.15 0.00 -1.57 0.00 0.00 52.86 52.09 2ys2 s ASN 8 Cb 0.01 0.41 0.82 0.00 -0.02 0.00 0.00 41.25 42.47 2ys2 s ASN 8 CO 0.04 -0.53 1.37 -0.81 -2.57 0.00 0.00 177.10 174.61 2ys2 n PRO 9 N 1.08 0.33 -4.31 -0.60 -0.04 -1.26 -4.61 135.00 125.59 2ys2 n PRO 9 Ca -0.20 0.08 -0.21 0.00 -0.04 0.00 0.00 63.50 63.13 2ys2 n PRO 9 Cb 0.57 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.37 2ys2 n PRO 9 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2ys2 s HIS 10 N -2.32 0.92 -0.05 0.54 3.76 -1.26 -5.02 115.29 111.86 2ys2 s HIS 10 Ca 0.18 -0.27 -0.01 0.00 -0.15 0.00 0.00 55.06 54.81 2ys2 s HIS 10 Cb 0.10 -0.73 -0.03 0.00 1.11 0.00 0.00 32.58 33.04 2ys2 s HIS 10 CO 0.20 -0.17 -0.05 1.47 -0.85 0.00 0.00 174.74 175.34 2ys2 n LEU 11 N 3.74 2.11 -3.71 0.89 -0.00 -1.26 -4.98 117.00 113.79 2ys2 n LEU 11 Ca -0.23 0.00 -0.29 0.00 -0.00 0.00 0.00 56.01 55.50 2ys2 n LEU 11 Cb 0.52 -0.17 -0.16 0.00 -0.00 0.00 0.00 43.42 43.62 2ys2 n LEU 11 CO 0.24 0.42 -0.35 -0.22 -0.00 0.00 0.00 177.39 177.49 2ys2 s LEU 12 N -5.62 1.60 -0.21 1.47 2.96 -1.26 -5.09 118.68 112.53 2ys2 s LEU 12 Ca -0.07 -1.27 -0.04 0.00 -0.22 0.00 0.00 54.13 52.53 2ys2 s LEU 12 Cb 0.02 -0.69 0.08 0.00 0.50 0.00 0.00 46.19 46.10 2ys2 s LEU 12 CO 0.11 -0.37 0.15 0.68 -1.32 0.00 0.00 176.35 175.60 2ys2 s VAL 13 N 1.78 -0.19 0.29 1.68 -7.23 -1.26 -5.14 120.40 110.32 2ys2 s VAL 13 Ca 0.05 -0.27 0.04 0.00 -1.81 0.00 0.00 61.98 59.99 2ys2 s VAL 13 Cb -0.17 -0.70 -0.06 0.00 0.56 0.00 0.00 36.38 36.01 2ys2 s VAL 13 CO -0.20 -0.34 0.04 -0.54 -0.31 0.00 0.00 175.10 173.75 2ys2 s LYS 14 N 2.21 1.53 0.34 4.82 -0.14 -1.26 -4.95 119.74 122.29 2ys2 s LYS 14 Ca 0.05 -1.83 -0.12 0.00 -1.36 0.00 0.00 55.97 52.72 2ys2 s LYS 14 Cb -0.16 -0.75 0.03 0.00 -1.68 0.00 0.00 37.83 35.27 2ys2 s LYS 14 CO -0.16 -0.16 0.64 1.52 -0.76 0.00 0.00 175.35 176.43 2ys2 s TYR 15 N -3.37 0.41 -0.32 3.18 1.13 -1.26 -4.83 117.35 112.29 2ys2 s TYR 15 Ca 0.34 -0.88 -0.09 0.00 -1.41 0.00 0.00 57.07 55.03 2ys2 s TYR 15 Cb 0.07 0.45 0.00 0.00 -1.10 0.00 0.00 41.96 41.39 2ys2 s TYR 15 CO 0.13 -1.32 0.15 -1.01 -2.51 0.00 0.00 175.55 170.99 2ys2 s HIS 16 N -2.95 3.19 0.00 -3.49 3.76 -1.26 -3.79 115.29 110.75 2ys2 s HIS 16 Ca 0.20 -0.75 -0.03 0.00 -0.15 0.00 0.00 55.06 54.33 2ys2 s HIS 16 Cb -0.03 -2.35 -0.13 0.00 1.11 0.00 0.00 32.58 31.17 2ys2 s HIS 16 CO 0.13 -0.53 2.75 0.45 -0.85 0.00 0.00 174.74 176.70 2ys2 n SER 17 N 4.96 5.13 -3.57 1.40 2.88 -1.26 -4.76 113.62 118.40 2ys2 n SER 17 Ca -0.13 -2.41 -0.13 0.00 -1.33 0.00 0.00 58.87 54.87 2ys2 n SER 17 Cb 0.48 -1.24 -0.06 0.00 -0.75 0.00 0.00 64.21 62.65 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 2.02 -0.37 1.13 0.46 0.00 -1.26 -4.57 107.32 104.72 2ys2 s GLY 18 Ca 0.33 1.85 -0.19 0.00 0.00 0.00 0.00 44.72 46.72 2ys2 s GLY 18 CO 0.00 1.11 1.20 -1.36 0.00 0.00 0.00 173.10 174.05 2ys2 s PHE 19 N -0.95 0.76 -0.33 1.90 0.08 -1.26 -4.57 117.98 113.62 2ys2 s PHE 19 Ca -0.04 0.39 -0.00 0.00 0.12 0.00 0.00 56.93 57.39 2ys2 s PHE 19 Cb -0.01 -3.73 0.10 0.00 -0.57 0.00 0.00 43.02 38.81 2ys2 s PHE 19 CO 0.04 -3.50 0.11 0.12 -0.10 0.00 0.00 175.22 171.89 2ys2 s PHE 20 N -3.35 1.84 0.17 0.36 5.36 -1.26 -0.68 117.98 120.42 2ys2 s PHE 20 Ca 0.73 -1.88 0.10 0.00 -0.96 0.00 0.00 56.93 54.92 2ys2 s PHE 20 Cb -0.07 -1.79 -0.04 0.00 -0.34 0.00 0.00 43.02 40.78 2ys2 s PHE 20 CO 0.55 -0.87 -0.20 0.14 -1.46 0.00 0.00 175.22 173.38 2ys2 s VAL 21 N 1.43 2.60 -1.44 3.12 -7.23 0.11 -4.72 120.40 114.27 2ys2 s VAL 21 Ca 0.11 -1.85 -0.04 0.00 -1.81 0.00 0.00 61.98 58.40 2ys2 s VAL 21 Cb -0.18 -2.24 0.03 0.00 0.56 0.00 0.00 36.38 34.54 2ys2 s VAL 21 CO -0.21 -0.06 0.56 0.47 -0.31 0.00 0.00 175.10 175.54 2ys2 n ASP 22 N 0.35 -1.19 -2.34 4.85 8.00 -1.26 -0.07 116.55 124.90 2ys2 n ASP 22 Ca -0.13 -0.96 -0.13 0.00 0.71 0.00 0.00 54.79 54.28 2ys2 n ASP 22 Cb 0.55 -3.25 -0.01 0.00 -0.02 0.00 0.00 41.12 38.39 2ys2 n ASP 22 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2ys2 n GLY 23 N -1.82 -0.34 3.06 0.44 0.00 -1.26 -4.93 105.19 100.34 2ys2 n GLY 23 Ca -0.23 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.70 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 -4.85 0.48 0.50 1.61 2.47 0.90 -4.71 119.74 116.14 2ys2 s LYS 24 Ca 0.00 -0.73 -0.03 0.00 -1.56 0.00 0.00 55.97 53.65 2ys2 s LYS 24 Cb 0.00 0.18 -0.01 0.00 -1.46 0.00 0.00 37.83 36.55 2ys2 s LYS 24 CO 0.00 -0.10 0.76 -0.06 0.16 0.00 0.00 175.35 176.11 2ys2 s PHE 25 N -2.26 3.31 -0.24 4.03 0.08 -1.26 0.04 117.98 121.69 2ys2 s PHE 25 Ca -0.08 0.48 0.12 0.00 0.12 0.00 0.00 56.93 57.57 2ys2 s PHE 25 Cb -0.04 -2.43 -0.17 0.00 -0.57 0.00 0.00 43.02 39.82 2ys2 s PHE 25 CO -0.03 -0.47 0.37 1.28 -0.10 0.00 0.00 175.22 176.26 2ys2 n LEU 26 N -2.26 0.23 -0.08 -0.37 4.32 0.14 -3.07 117.00 115.90 2ys2 n LEU 26 Ca 0.02 -0.20 -0.21 0.00 -0.02 0.00 0.00 56.01 55.60 2ys2 n LEU 26 Cb 0.57 0.00 -0.12 0.00 -1.62 0.00 0.00 43.42 42.25 2ys2 n LEU 26 CO 0.50 0.06 -0.50 0.00 -1.22 0.00 0.00 177.39 176.23 2ys2 n GLN 29 N -0.45 -1.20 -2.57 0.00 3.00 -1.18 -4.77 117.38 110.21 2ys2 n GLN 29 Ca 0.04 0.08 -0.41 0.00 -0.01 0.00 0.00 57.00 56.69 2ys2 n GLN 29 Cb 0.55 -3.36 -0.03 0.00 0.00 0.00 0.00 30.24 27.40 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 -5.03 3.21 0.38 -1.09 -0.21 -1.26 -4.52 119.66 111.15 2ys2 s GLN 30 Ca 0.45 -0.24 0.23 0.00 0.02 0.00 0.00 55.36 55.82 2ys2 s GLN 30 Cb -0.26 -4.17 1.36 0.00 1.00 0.00 0.00 33.01 30.94 2ys2 s GLN 30 CO 0.56 -2.09 1.59 0.66 -2.12 0.00 0.00 175.29 173.88 2ys2 h SER 31 N 9.96 0.31 -2.60 5.90 4.64 -1.86 -3.38 113.55 126.51 2ys2 h SER 31 Ca -0.28 0.24 -0.54 0.00 -0.47 0.00 0.00 61.79 60.74 2ys2 h SER 31 Cb 1.05 0.24 0.01 0.00 -0.31 0.00 0.00 62.40 63.39 2ys2 h SER 31 CO 1.27 -0.39 1.07 0.00 -0.87 0.00 0.00 176.83 177.91 2ys2 h LYS 33 N 9.19 0.29 -1.76 0.00 1.63 -1.96 -3.05 116.57 120.92 2ys2 h LYS 33 Ca -0.43 -0.11 -0.16 0.00 -0.85 0.00 0.00 60.65 59.10 2ys2 h LYS 33 Cb 1.20 -0.02 -0.07 0.00 -0.60 0.00 0.00 32.23 32.74 2ys2 h LYS 33 CO 0.94 0.57 0.21 0.00 -3.45 0.00 0.00 179.45 177.72 2ys2 n ALA 34 N -2.34 4.57 -1.76 5.00 0.00 -1.26 -4.93 120.51 119.78 2ys2 n ALA 34 Ca -0.05 -0.84 -0.34 0.00 0.00 0.00 0.00 53.44 52.21 2ys2 n ALA 34 Cb 0.26 -1.19 -0.02 0.00 0.00 0.00 0.00 19.45 18.50 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 -0.92 2.81 0.07 0.00 0.00 -1.15 -4.99 121.76 117.58 2ys2 s ALA 35 Ca 0.16 0.57 -0.31 0.00 0.00 0.00 0.00 51.96 52.38 2ys2 s ALA 35 Cb 0.12 -3.26 -0.07 0.00 0.00 0.00 0.00 23.12 19.91 2ys2 s ALA 35 CO -0.00 -0.51 1.39 -1.25 0.00 0.00 0.00 175.76 175.38 2ys2 s PRO 36 N -3.47 4.31 -0.51 0.00 0.04 -1.26 -4.83 135.00 129.28 2ys2 s PRO 36 Ca 0.67 2.02 -0.28 0.00 0.04 0.00 0.00 61.00 63.45 2ys2 s PRO 36 Cb -0.17 -3.38 -0.15 0.00 0.04 0.00 0.00 34.50 30.85 2ys2 s PRO 36 CO 0.25 -0.48 1.71 0.41 0.04 0.00 0.00 177.00 178.94 2ys2 n GLY 37 N 3.54 -0.21 0.36 0.56 0.00 -1.26 -4.74 105.19 103.43 2ys2 n GLY 37 Ca 0.12 0.82 0.05 0.00 0.00 0.00 0.00 46.02 47.01 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 -5.78 2.90 -0.28 0.00 -1.32 -1.25 -5.08 115.64 104.82 2ys2 s THR 39 Ca -0.11 0.29 -0.17 0.00 -1.21 0.00 0.00 61.69 60.50 2ys2 s THR 39 Cb 0.19 -2.91 0.10 0.00 -1.51 0.00 0.00 72.50 68.37 2ys2 s THR 39 CO 0.78 -0.38 0.80 -0.22 -2.21 0.00 0.00 174.62 173.39 2ys2 s LEU 40 N -5.97 -0.78 0.14 9.08 0.20 -1.26 -4.74 118.68 115.35 2ys2 s LEU 40 Ca 0.62 1.26 -0.32 0.00 0.69 0.00 0.00 54.13 56.38 2ys2 s LEU 40 Cb -0.16 2.17 -0.09 0.00 -0.43 0.00 0.00 46.19 47.68 2ys2 s LEU 40 CO 0.55 -0.20 1.55 -0.25 -0.29 0.00 0.00 176.35 177.72 2ys2 h TRP 41 N 6.44 -1.64 -3.59 5.38 2.91 -1.98 -3.34 115.95 120.14 2ys2 h TRP 41 Ca -0.29 0.08 -0.62 0.00 1.13 0.00 0.00 58.89 59.18 2ys2 h TRP 41 Cb 1.21 0.77 -0.13 0.00 -0.51 0.00 0.00 29.16 30.50 2ys2 h TRP 41 CO 0.11 -0.49 0.32 -1.21 -1.03 0.00 0.00 178.44 176.14 2ys2 s GLU 42 N -5.68 3.54 0.03 2.65 2.02 -1.26 -5.04 118.70 114.96 2ys2 s GLU 42 Ca -0.14 0.02 0.07 0.00 0.02 0.00 0.00 54.97 54.94 2ys2 s GLU 42 Cb 0.09 -3.88 -0.02 0.00 0.10 0.00 0.00 34.13 30.41 2ys2 s GLU 42 CO 0.62 -0.98 -0.21 0.00 0.02 0.00 0.00 175.26 174.71 2ys2 s ALA 43 N 3.12 1.76 -0.16 5.21 0.00 -1.26 -5.03 121.76 125.42 2ys2 s ALA 43 Ca 0.29 -1.03 -0.02 0.00 0.00 0.00 0.00 51.96 51.21 2ys2 s ALA 43 Cb -0.13 -0.37 0.03 0.00 0.00 0.00 0.00 23.12 22.66 2ys2 s ALA 43 CO 0.20 0.40 2.35 0.66 0.00 0.00 0.00 175.76 179.37 2ys2 n TYR 44 N 2.00 0.69 -1.50 0.00 4.02 -1.26 -4.92 117.16 116.19 2ys2 n TYR 44 Ca -0.17 -1.51 -0.47 0.00 -0.01 0.00 0.00 57.90 55.75 2ys2 n TYR 44 Cb 0.53 -0.93 -0.06 0.00 -0.02 0.00 0.00 39.34 38.87 2ys2 n TYR 44 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2ys2 n SER 45 N 1.21 2.39 0.00 7.72 2.88 -1.26 -4.45 113.62 122.11 2ys2 n SER 45 Ca 0.22 0.26 0.00 0.00 -1.33 0.00 0.00 58.87 58.02 2ys2 n SER 45 Cb 0.60 -1.36 0.00 0.00 -0.75 0.00 0.00 64.21 62.70 2ys2 n SER 45 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ys2 n GLY 46 N 6.29 -1.54 3.57 0.46 0.00 -1.26 -5.06 105.19 107.65 2ys2 n GLY 46 Ca 0.39 0.66 -0.27 0.00 0.00 0.00 0.00 46.02 46.79 2ys2 n GLY 46 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2ys2 s PRO 47 N 0.16 2.53 0.20 1.61 0.04 -1.26 -4.94 135.00 133.35 2ys2 s PRO 47 Ca 0.00 -0.66 0.08 0.00 0.04 0.00 0.00 61.00 60.46 2ys2 s PRO 47 Cb 0.00 -5.14 -0.04 0.00 0.04 0.00 0.00 34.50 29.36 2ys2 s PRO 47 CO 0.00 -3.63 -0.01 -1.54 0.04 0.00 0.00 177.00 171.86 2ys2 s SER 48 N 7.39 4.68 0.59 6.66 1.04 -1.26 -5.13 113.70 127.67 2ys2 s SER 48 Ca 0.69 -0.48 -0.08 0.00 0.48 0.00 0.00 55.95 56.56 2ys2 s SER 48 Cb -0.04 -0.95 -0.02 0.00 0.10 0.00 0.00 66.02 65.11 2ys2 s SER 48 CO 0.05 0.06 0.95 -0.44 0.98 0.00 0.00 173.24 174.84 2ys2 s SER 49 N -3.16 5.92 0.00 7.02 0.01 -1.26 -5.29 113.70 116.94 2ys2 s SER 49 Ca 0.28 1.06 0.00 0.00 1.31 0.00 0.00 55.95 58.60 2ys2 s SER 49 Cb -0.08 -2.11 0.00 0.00 0.21 0.00 0.00 66.02 64.03 2ys2 s SER 49 CO 0.19 -0.94 0.00 0.61 0.41 0.00 0.00 173.24 173.51