#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 7.00 0.15 1.61 1.04 -1.26 -5.03 113.70 117.22 2ys2 s SER 2 Ca 0.00 1.85 0.11 0.00 0.48 0.00 0.00 55.95 58.39 2ys2 s SER 2 Cb 0.00 -2.56 -0.04 0.00 0.10 0.00 0.00 66.02 63.52 2ys2 s SER 2 CO 0.00 -0.63 -0.25 -0.94 0.98 0.00 0.00 173.24 172.40 2ys2 s SER 3 N 1.62 3.27 -0.73 7.02 1.04 -1.26 -5.04 113.70 119.62 2ys2 s SER 3 Ca 0.57 -0.79 -0.31 0.00 0.48 0.00 0.00 55.95 55.90 2ys2 s SER 3 Cb -0.25 -0.22 -0.16 0.00 0.10 0.00 0.00 66.02 65.48 2ys2 s SER 3 CO 0.22 0.14 2.51 0.61 0.98 0.00 0.00 173.24 177.70 2ys2 n GLY 4 N 0.70 -0.14 3.40 7.32 0.00 -1.26 -4.90 105.19 110.31 2ys2 n GLY 4 Ca -0.16 0.98 -0.24 0.00 0.00 0.00 0.00 46.02 46.60 2ys2 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ys2 s SER 5 N 9.51 3.19 0.46 1.61 1.04 -1.26 -5.11 113.70 123.14 2ys2 s SER 5 Ca 1.20 -0.91 -0.21 0.00 0.48 0.00 0.00 55.95 56.51 2ys2 s SER 5 Cb -0.91 -0.23 -0.12 0.00 0.10 0.00 0.00 66.02 64.87 2ys2 s SER 5 CO 0.44 0.04 0.49 -0.24 0.98 0.00 0.00 173.24 174.94 2ys2 n SER 6 N 0.03 -1.13 -3.58 7.02 2.88 -1.26 -4.97 113.62 112.60 2ys2 n SER 6 Ca -0.11 0.85 0.00 0.00 -1.33 0.00 0.00 58.87 58.28 2ys2 n SER 6 Cb 0.57 -1.11 0.00 0.00 -0.75 0.00 0.00 64.21 62.93 2ys2 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ys2 n GLY 7 N 1.84 -1.49 3.76 0.46 0.00 -1.26 -4.96 105.19 103.54 2ys2 n GLY 7 Ca 0.11 -1.22 -0.35 0.00 0.00 0.00 0.00 46.02 44.56 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 -1.58 5.25 0.21 1.61 0.01 -1.26 -4.97 114.94 114.20 2ys2 s ASN 8 Ca 0.00 2.30 -0.30 0.00 -0.71 0.00 0.00 52.86 54.15 2ys2 s ASN 8 Cb 0.00 -2.59 -0.09 0.00 0.41 0.00 0.00 41.25 38.98 2ys2 s ASN 8 CO 0.00 -1.55 1.30 -2.16 -1.51 0.00 0.00 177.10 173.18 2ys2 s PRO 9 N -3.43 4.40 -0.13 -0.60 0.04 -1.26 -4.91 135.00 129.11 2ys2 s PRO 9 Ca 0.75 2.05 -0.00 0.00 0.04 0.00 0.00 61.00 63.84 2ys2 s PRO 9 Cb -0.28 -3.19 0.10 0.00 0.04 0.00 0.00 34.50 31.17 2ys2 s PRO 9 CO 0.33 -0.23 1.89 -2.39 0.04 0.00 0.00 177.00 176.64 2ys2 n HIS 10 N 2.48 0.64 -0.02 0.56 1.44 -1.26 -4.28 115.22 114.78 2ys2 n HIS 10 Ca 0.05 -1.32 -0.15 0.00 -2.01 0.00 0.00 57.72 54.29 2ys2 n HIS 10 Cb 0.43 -0.65 -0.11 0.00 0.12 0.00 0.00 29.99 29.78 2ys2 n HIS 10 CO 0.00 0.00 0.00 1.25 -2.81 0.00 0.00 176.34 174.78 2ys2 h LEU 11 N 2.55 0.27 0.36 2.39 5.85 -2.00 -3.36 115.31 121.37 2ys2 h LEU 11 Ca 0.12 -0.76 -0.01 0.00 0.84 0.00 0.00 57.88 58.07 2ys2 h LEU 11 Cb 1.02 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.96 2ys2 h LEU 11 CO 0.31 1.00 -0.28 -0.07 -0.34 0.00 0.00 178.44 179.06 2ys2 h LEU 12 N -0.43 -0.73 -8.87 2.25 3.38 -2.01 -3.43 115.31 105.47 2ys2 h LEU 12 Ca -0.04 0.05 -0.80 0.00 0.09 0.00 0.00 57.88 57.18 2ys2 h LEU 12 Cb 1.04 0.23 0.04 0.00 0.09 0.00 0.00 40.66 42.05 2ys2 h LEU 12 CO 0.06 -0.39 0.24 1.33 0.09 0.00 0.00 178.44 179.77 2ys2 n VAL 13 N -4.05 0.00 -0.69 1.22 0.24 -1.26 -4.90 118.33 108.89 2ys2 n VAL 13 Ca -0.07 0.00 -0.30 0.00 -2.04 0.00 0.00 64.34 61.92 2ys2 n VAL 13 Cb 0.27 -0.15 0.27 0.00 -1.47 0.00 0.00 33.84 32.76 2ys2 n VAL 13 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2ys2 s LYS 14 N 0.87 -2.09 -0.02 7.34 1.02 -1.26 -5.03 119.74 120.57 2ys2 s LYS 14 Ca 0.94 0.09 -0.30 0.00 0.02 0.00 0.00 55.97 56.72 2ys2 s LYS 14 Cb -1.32 -1.48 0.11 0.00 -0.52 0.00 0.00 37.83 34.62 2ys2 s LYS 14 CO 0.63 -4.32 1.18 1.52 -0.92 0.00 0.00 175.35 173.45 2ys2 s TYR 15 N -2.60 -0.10 -0.19 3.18 1.13 -1.26 -4.85 117.35 112.66 2ys2 s TYR 15 Ca 0.70 -0.04 -0.06 0.00 -1.41 0.00 0.00 57.07 56.26 2ys2 s TYR 15 Cb -0.12 0.56 -0.03 0.00 -1.10 0.00 0.00 41.96 41.26 2ys2 s TYR 15 CO 0.58 -0.39 0.03 -1.01 -2.51 0.00 0.00 175.55 172.24 2ys2 s HIS 16 N -2.64 3.12 -0.08 -3.49 3.76 -1.26 -3.70 115.29 111.00 2ys2 s HIS 16 Ca 0.12 -0.21 -0.00 0.00 -0.15 0.00 0.00 55.06 54.82 2ys2 s HIS 16 Cb 0.02 -2.08 0.05 0.00 1.11 0.00 0.00 32.58 31.68 2ys2 s HIS 16 CO -0.03 -0.07 2.05 -1.13 -0.85 0.00 0.00 174.74 174.71 2ys2 n SER 17 N 3.94 5.63 -3.59 1.40 3.41 -1.26 -4.82 113.62 118.32 2ys2 n SER 17 Ca -0.17 -2.58 -0.02 0.00 -0.26 0.00 0.00 58.87 55.84 2ys2 n SER 17 Cb 0.52 -1.12 0.00 0.00 -0.26 0.00 0.00 64.21 63.35 2ys2 n SER 17 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2ys2 s GLY 18 N 1.54 -0.13 0.35 5.00 0.00 -1.26 -4.51 107.32 108.31 2ys2 s GLY 18 Ca 0.09 0.04 0.08 0.00 0.00 0.00 0.00 44.72 44.93 2ys2 s GLY 18 CO -0.00 1.06 0.23 -1.36 0.00 0.00 0.00 173.10 173.02 2ys2 s PHE 19 N -2.72 2.77 -0.57 1.90 0.40 -1.26 -4.81 117.98 113.69 2ys2 s PHE 19 Ca 0.17 -0.38 -0.18 0.00 -0.60 0.00 0.00 56.93 55.93 2ys2 s PHE 19 Cb -0.01 -1.79 0.10 0.00 0.51 0.00 0.00 43.02 41.83 2ys2 s PHE 19 CO 0.02 0.21 0.66 0.12 0.70 0.00 0.00 175.22 176.93 2ys2 s PHE 20 N -2.40 3.05 -0.01 0.36 5.36 -1.26 -2.02 117.98 121.06 2ys2 s PHE 20 Ca 0.40 -0.98 0.07 0.00 -0.96 0.00 0.00 56.93 55.46 2ys2 s PHE 20 Cb -0.03 -3.92 -0.02 0.00 -0.34 0.00 0.00 43.02 38.71 2ys2 s PHE 20 CO 0.25 -1.22 -0.21 0.08 -1.46 0.00 0.00 175.22 172.66 2ys2 s VAL 21 N 2.49 1.67 -1.13 3.12 1.01 0.19 -4.75 120.40 123.00 2ys2 s VAL 21 Ca 0.10 -0.94 -0.05 0.00 0.00 0.00 0.00 61.98 61.10 2ys2 s VAL 21 Cb -0.25 -1.39 0.01 0.00 0.00 0.00 0.00 36.38 34.75 2ys2 s VAL 21 CO 0.06 0.44 0.97 0.47 0.00 0.00 0.00 175.10 177.04 2ys2 n ASP 22 N 2.47 -4.30 -2.02 3.32 9.92 -1.26 -2.01 116.55 122.66 2ys2 n ASP 22 Ca -0.15 -0.50 -0.18 0.00 -0.53 0.00 0.00 54.79 53.43 2ys2 n ASP 22 Cb 0.53 -4.49 -0.04 0.00 -0.64 0.00 0.00 41.12 36.48 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 -1.54 0.45 3.41 0.44 0.00 -1.26 -4.93 105.19 101.78 2ys2 n GLY 23 Ca -0.10 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.78 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 -4.37 1.08 0.95 1.61 1.02 -0.85 -4.79 119.74 114.39 2ys2 s LYS 24 Ca 0.00 -0.21 -0.15 0.00 0.02 0.00 0.00 55.97 55.63 2ys2 s LYS 24 Cb 0.00 0.50 0.18 0.00 -0.52 0.00 0.00 37.83 37.98 2ys2 s LYS 24 CO 0.00 -0.40 1.24 -0.06 -0.92 0.00 0.00 175.35 175.21 2ys2 s PHE 25 N -2.49 1.88 0.00 3.18 0.08 -0.67 0.55 117.98 120.50 2ys2 s PHE 25 Ca -0.05 0.52 0.00 0.00 0.12 0.00 0.00 56.93 57.52 2ys2 s PHE 25 Cb -0.01 -3.79 0.00 0.00 -0.57 0.00 0.00 43.02 38.66 2ys2 s PHE 25 CO -0.02 -2.59 0.00 1.28 -0.10 0.00 0.00 175.22 173.79 2ys2 n LEU 26 N -3.81 0.00 -0.10 -0.37 4.77 -0.85 -4.01 117.00 112.62 2ys2 n LEU 26 Ca 0.12 -0.39 -0.21 0.00 -0.03 0.00 0.00 56.01 55.50 2ys2 n LEU 26 Cb 0.60 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.58 2ys2 n LEU 26 CO 0.50 0.00 -0.57 0.00 -1.33 0.00 0.00 177.39 175.99 2ys2 n GLN 29 N -1.08 -2.13 -2.57 0.00 1.13 -1.26 -4.85 117.38 106.63 2ys2 n GLN 29 Ca 0.11 0.19 -0.41 0.00 -1.94 0.00 0.00 57.00 54.95 2ys2 n GLN 29 Cb 0.52 -4.55 -0.04 0.00 0.11 0.00 0.00 30.24 26.28 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 -3.98 4.62 0.08 -1.09 -0.21 -1.26 -4.63 119.66 113.19 2ys2 s GLN 30 Ca 0.00 1.65 0.01 0.00 0.02 0.00 0.00 55.36 57.04 2ys2 s GLN 30 Cb 0.00 -3.30 -0.25 0.00 1.00 0.00 0.00 33.01 30.46 2ys2 s GLN 30 CO 0.00 0.11 1.15 1.03 -2.12 0.00 0.00 175.29 175.47 2ys2 h SER 31 N 5.24 0.22 -2.48 5.90 0.87 -1.88 -1.78 113.55 119.63 2ys2 h SER 31 Ca -0.44 -0.24 -0.55 0.00 -1.23 0.00 0.00 61.79 59.33 2ys2 h SER 31 Cb 1.21 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 63.07 2ys2 h SER 31 CO 0.72 1.19 1.28 0.00 -0.53 0.00 0.00 176.83 179.50 2ys2 h LYS 33 N 13.42 0.61 -1.25 0.00 3.11 -1.95 -1.67 116.57 128.85 2ys2 h LYS 33 Ca -0.30 -0.04 -0.44 0.00 -2.81 0.00 0.00 60.65 57.07 2ys2 h LYS 33 Cb 1.16 -0.14 -0.20 0.00 -1.00 0.00 0.00 32.23 32.05 2ys2 h LYS 33 CO 1.11 0.41 0.56 0.00 -2.81 0.00 0.00 179.45 178.72 2ys2 n ALA 34 N -2.47 5.37 -2.20 5.00 0.00 -1.26 -4.95 120.51 120.00 2ys2 n ALA 34 Ca 0.06 -2.27 -0.32 0.00 0.00 0.00 0.00 53.44 50.90 2ys2 n ALA 34 Cb 0.12 -1.48 -0.05 0.00 0.00 0.00 0.00 19.45 18.04 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 -2.52 3.37 0.16 0.00 0.00 -0.63 -5.04 121.76 117.11 2ys2 s ALA 35 Ca 0.43 -0.06 -0.30 0.00 0.00 0.00 0.00 51.96 52.02 2ys2 s ALA 35 Cb 0.34 -2.69 -0.08 0.00 0.00 0.00 0.00 23.12 20.69 2ys2 s ALA 35 CO 0.01 0.30 1.33 -1.25 0.00 0.00 0.00 175.76 176.15 2ys2 s PRO 36 N -3.11 4.37 -0.47 0.00 0.04 -1.26 -4.84 135.00 129.72 2ys2 s PRO 36 Ca 0.52 2.04 -0.37 0.00 0.04 0.00 0.00 61.00 63.23 2ys2 s PRO 36 Cb -0.10 -3.22 -0.17 0.00 0.04 0.00 0.00 34.50 31.05 2ys2 s PRO 36 CO 0.21 -0.31 1.90 0.41 0.04 0.00 0.00 177.00 179.24 2ys2 n GLY 37 N 2.78 -0.16 0.45 0.56 0.00 -1.26 -4.72 105.19 102.83 2ys2 n GLY 37 Ca 0.08 0.97 0.27 0.00 0.00 0.00 0.00 46.02 47.34 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 -5.32 3.81 -0.09 0.00 -4.23 -1.24 -4.99 115.64 103.58 2ys2 s THR 39 Ca -0.08 0.88 0.01 0.00 -1.18 0.00 0.00 61.69 61.33 2ys2 s THR 39 Cb 0.25 -3.90 0.02 0.00 1.34 0.00 0.00 72.50 70.21 2ys2 s THR 39 CO 0.80 -0.44 -0.09 -0.22 -0.54 0.00 0.00 174.62 174.12 2ys2 s LEU 40 N 5.30 1.39 0.12 4.79 0.20 -1.26 -4.41 118.68 124.80 2ys2 s LEU 40 Ca 0.67 -0.28 -0.32 0.00 0.69 0.00 0.00 54.13 54.89 2ys2 s LEU 40 Cb -0.20 -0.80 -0.11 0.00 -0.43 0.00 0.00 46.19 44.65 2ys2 s LEU 40 CO 0.29 -0.05 1.79 0.79 -0.29 0.00 0.00 176.35 178.89 2ys2 n TRP 41 N 4.39 2.57 -4.12 5.38 5.03 -1.26 -4.99 117.44 124.43 2ys2 n TRP 41 Ca -0.18 -0.06 -0.19 0.00 3.03 0.00 0.00 57.50 60.11 2ys2 n TRP 41 Cb 0.51 -2.69 -0.16 0.00 -1.03 0.00 0.00 31.31 27.93 2ys2 n TRP 41 CO 0.00 0.00 0.00 -1.21 -0.03 0.00 0.00 177.69 176.45 2ys2 s GLU 42 N 2.42 0.67 -0.20 -0.99 2.02 -1.26 -5.04 118.70 116.32 2ys2 s GLU 42 Ca 0.82 -0.08 -0.09 0.00 0.02 0.00 0.00 54.97 55.64 2ys2 s GLU 42 Cb -0.53 -0.71 -0.09 0.00 0.10 0.00 0.00 34.13 32.91 2ys2 s GLU 42 CO 0.38 -0.06 -0.25 0.00 0.02 0.00 0.00 175.26 175.35 2ys2 n ALA 43 N 3.91 1.73 -3.83 5.21 0.00 -1.26 -5.02 120.51 121.26 2ys2 n ALA 43 Ca -0.24 -0.78 -0.27 0.00 0.00 0.00 0.00 53.44 52.14 2ys2 n ALA 43 Cb 0.51 0.24 0.04 0.00 0.00 0.00 0.00 19.45 20.24 2ys2 n ALA 43 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2ys2 n TYR 44 N -3.82 -2.31 -0.04 0.00 9.36 -1.26 -4.90 117.16 114.20 2ys2 n TYR 44 Ca -0.38 0.91 -0.22 0.00 3.32 0.00 0.00 57.90 61.53 2ys2 n TYR 44 Cb 0.78 -4.22 -0.13 0.00 -0.63 0.00 0.00 39.34 35.14 2ys2 n TYR 44 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 2ys2 n SER 45 N -2.91 2.02 -3.74 2.98 3.41 -1.26 -5.02 113.62 109.11 2ys2 n SER 45 Ca -0.03 0.29 -0.18 0.00 -0.26 0.00 0.00 58.87 58.69 2ys2 n SER 45 Cb 0.56 -0.90 -0.09 0.00 -0.26 0.00 0.00 64.21 63.52 2ys2 n SER 45 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2ys2 s GLY 46 N -5.32 2.10 0.38 5.00 0.00 -1.26 -5.14 107.32 103.08 2ys2 s GLY 46 Ca -0.25 -1.86 -0.26 0.00 0.00 0.00 0.00 44.72 42.34 2ys2 s GLY 46 CO 0.70 -1.51 1.20 2.56 0.00 0.00 0.00 173.10 176.05 2ys2 s PRO 47 N -3.70 4.13 0.05 2.90 0.04 -1.26 -4.96 135.00 132.19 2ys2 s PRO 47 Ca 0.38 1.92 0.00 0.00 0.04 0.00 0.00 61.00 63.34 2ys2 s PRO 47 Cb 0.04 -2.78 0.00 0.00 0.04 0.00 0.00 34.50 31.80 2ys2 s PRO 47 CO 0.21 -0.28 0.00 0.45 0.04 0.00 0.00 177.00 177.42 2ys2 n SER 48 N 0.26 0.32 -4.03 6.66 2.88 -1.26 -5.03 113.62 113.43 2ys2 n SER 48 Ca 0.03 0.08 -0.31 0.00 -1.33 0.00 0.00 58.87 57.33 2ys2 n SER 48 Cb 0.45 -0.07 -0.00 0.00 -0.75 0.00 0.00 64.21 63.84 2ys2 n SER 48 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2ys2 n SER 49 N -3.13 -3.38 -0.38 -3.46 7.64 -1.26 -5.32 113.62 104.34 2ys2 n SER 49 Ca 0.00 -0.90 0.05 0.00 1.01 0.00 0.00 58.87 59.02 2ys2 n SER 49 Cb 0.26 -3.34 0.04 0.00 -1.01 0.00 0.00 64.21 60.16 2ys2 n SER 49 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64