#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 -0.17 -0.22 1.61 0.15 -1.26 -5.14 113.70 108.68 2ys2 s SER 2 Ca 0.00 -0.75 -0.25 0.00 0.70 0.00 0.00 55.95 55.64 2ys2 s SER 2 Cb 0.00 0.74 -0.01 0.00 -1.71 0.00 0.00 66.02 65.05 2ys2 s SER 2 CO 0.00 -1.41 0.86 -0.55 1.20 0.00 0.00 173.24 173.34 2ys2 s SER 3 N -2.98 6.91 -0.70 5.45 0.15 -1.26 -4.95 113.70 116.33 2ys2 s SER 3 Ca 0.13 1.13 -0.02 0.00 0.70 0.00 0.00 55.95 57.89 2ys2 s SER 3 Cb -0.05 -2.46 0.43 0.00 -1.71 0.00 0.00 66.02 62.22 2ys2 s SER 3 CO 0.08 -0.50 2.01 0.61 1.20 0.00 0.00 173.24 176.63 2ys2 n GLY 4 N 3.60 5.81 3.61 9.45 0.00 -1.26 -4.87 105.19 121.53 2ys2 n GLY 4 Ca 0.06 -2.37 -0.03 0.00 0.00 0.00 0.00 46.02 43.69 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 -1.71 -0.92 -0.12 1.61 0.01 -1.26 -5.16 113.70 106.15 2ys2 s SER 5 Ca 0.61 1.36 -0.06 0.00 1.31 0.00 0.00 55.95 59.16 2ys2 s SER 5 Cb 0.49 1.76 -0.04 0.00 0.21 0.00 0.00 66.02 68.44 2ys2 s SER 5 CO -0.11 -0.20 0.12 -0.55 0.41 0.00 0.00 173.24 172.91 2ys2 s SER 6 N 2.19 6.19 -0.40 2.44 0.15 -1.26 -5.02 113.70 118.00 2ys2 s SER 6 Ca -0.07 0.40 -0.27 0.00 0.70 0.00 0.00 55.95 56.71 2ys2 s SER 6 Cb -0.08 -1.98 -0.05 0.00 -1.71 0.00 0.00 66.02 62.20 2ys2 s SER 6 CO -0.19 0.38 2.26 -0.83 1.20 0.00 0.00 173.24 176.06 2ys2 s GLY 7 N -0.89 0.02 0.93 9.45 0.00 -1.26 -4.93 107.32 110.65 2ys2 s GLY 7 Ca 0.14 0.24 -0.13 0.00 0.00 0.00 0.00 44.72 44.97 2ys2 s GLY 7 CO 0.03 3.91 0.35 0.70 0.00 0.00 0.00 173.10 178.09 2ys2 n ASN 8 N 13.83 -2.22 0.13 1.64 4.13 -1.26 -4.85 115.26 126.66 2ys2 n ASN 8 Ca 0.32 0.34 0.12 0.00 1.68 0.00 0.00 54.58 57.04 2ys2 n ASN 8 Cb 0.51 -1.18 0.49 0.00 -1.54 0.00 0.00 39.78 38.05 2ys2 n ASN 8 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 2ys2 n PRO 9 N -1.41 0.19 -2.24 3.52 -0.04 -1.26 -4.77 135.00 129.00 2ys2 n PRO 9 Ca 0.07 0.42 -0.41 0.00 -0.04 0.00 0.00 63.50 63.54 2ys2 n PRO 9 Cb 0.53 -1.86 -0.03 0.00 -0.04 0.00 0.00 33.50 32.10 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 -3.31 3.25 -0.10 0.54 3.76 -1.26 -4.95 115.29 113.21 2ys2 s HIS 10 Ca 0.04 1.42 -0.06 0.00 -0.15 0.00 0.00 55.06 56.32 2ys2 s HIS 10 Cb 0.09 -3.56 -0.27 0.00 1.11 0.00 0.00 32.58 29.96 2ys2 s HIS 10 CO 0.39 -1.54 0.45 1.25 -0.85 0.00 0.00 174.74 174.44 2ys2 h LEU 11 N 4.13 0.41 -4.14 0.89 5.85 -2.02 -3.37 115.31 117.06 2ys2 h LEU 11 Ca -0.47 -0.86 -0.63 0.00 0.84 0.00 0.00 57.88 56.76 2ys2 h LEU 11 Cb 1.22 -0.13 -0.36 0.00 0.37 0.00 0.00 40.66 41.75 2ys2 h LEU 11 CO 0.70 1.77 -0.03 0.00 -0.34 0.00 0.00 178.44 180.54 2ys2 n LEU 12 N -3.46 6.09 -4.57 2.25 -0.00 -1.26 -5.05 117.00 111.00 2ys2 n LEU 12 Ca -0.29 -4.71 -0.48 0.00 -0.00 0.00 0.00 56.01 50.53 2ys2 n LEU 12 Cb 1.05 -0.66 -0.04 0.00 -0.00 0.00 0.00 43.42 43.78 2ys2 n LEU 12 CO 0.45 1.89 0.65 0.55 -0.00 0.00 0.00 177.39 180.93 2ys2 n VAL 13 N -0.71 1.17 -4.21 1.47 3.14 -1.26 -4.99 118.33 112.95 2ys2 n VAL 13 Ca 0.50 -0.29 -0.28 0.00 -2.96 0.00 0.00 64.34 61.31 2ys2 n VAL 13 Cb 0.72 -0.82 -0.04 0.00 -1.06 0.00 0.00 33.84 32.64 2ys2 n VAL 13 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 2ys2 s LYS 14 N -0.65 2.23 0.12 1.45 -0.14 -1.26 -5.10 119.74 116.39 2ys2 s LYS 14 Ca 0.70 -2.10 0.00 0.00 -1.36 0.00 0.00 55.97 53.21 2ys2 s LYS 14 Cb -0.83 -1.90 -0.04 0.00 -1.68 0.00 0.00 37.83 33.38 2ys2 s LYS 14 CO 0.54 -0.43 -0.00 1.52 -0.76 0.00 0.00 175.35 176.22 2ys2 s TYR 15 N -2.77 0.90 -0.15 3.18 1.13 -1.26 -4.81 117.35 113.58 2ys2 s TYR 15 Ca 0.27 -1.07 -0.04 0.00 -1.41 0.00 0.00 57.07 54.82 2ys2 s TYR 15 Cb 0.00 -0.53 -0.03 0.00 -1.10 0.00 0.00 41.96 40.30 2ys2 s TYR 15 CO 0.16 -0.32 -0.00 -1.01 -2.51 0.00 0.00 175.55 171.86 2ys2 s HIS 16 N -3.82 3.11 -0.37 -3.49 3.76 -1.26 -3.88 115.29 109.35 2ys2 s HIS 16 Ca 0.18 -0.10 -0.00 0.00 -0.15 0.00 0.00 55.06 54.99 2ys2 s HIS 16 Cb 0.07 -1.95 0.32 0.00 1.11 0.00 0.00 32.58 32.12 2ys2 s HIS 16 CO -0.01 0.12 1.88 -1.13 -0.85 0.00 0.00 174.74 174.75 2ys2 n SER 17 N 3.22 5.73 -3.32 1.40 3.41 -1.26 -4.90 113.62 117.90 2ys2 n SER 17 Ca -0.17 -3.16 -0.06 0.00 -0.26 0.00 0.00 58.87 55.21 2ys2 n SER 17 Cb 0.53 -0.93 0.01 0.00 -0.26 0.00 0.00 64.21 63.55 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 -0.35 0.13 0.40 5.00 0.00 -1.26 -4.64 107.32 106.59 2ys2 s GLY 18 Ca 0.38 -0.43 0.06 0.00 0.00 0.00 0.00 44.72 44.73 2ys2 s GLY 18 CO 0.02 0.59 0.47 0.69 0.00 0.00 0.00 173.10 174.87 2ys2 n PHE 19 N -0.56 -1.98 -4.03 1.90 3.72 -1.26 -4.86 117.46 110.39 2ys2 n PHE 19 Ca -0.06 -1.52 -0.33 0.00 -0.05 0.00 0.00 57.45 55.49 2ys2 n PHE 19 Cb 0.60 -0.36 -0.15 0.00 -0.94 0.00 0.00 39.48 38.63 2ys2 n PHE 19 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 176.76 176.83 2ys2 s PHE 20 N -1.64 3.20 0.05 1.38 5.36 -1.26 -2.21 117.98 122.87 2ys2 s PHE 20 Ca 0.36 -2.09 0.03 0.00 -0.96 0.00 0.00 56.93 54.27 2ys2 s PHE 20 Cb -0.03 -1.98 -0.03 0.00 -0.34 0.00 0.00 43.02 40.65 2ys2 s PHE 20 CO 0.23 -0.84 -0.10 0.08 -1.46 0.00 0.00 175.22 173.12 2ys2 s VAL 21 N 1.17 0.77 -1.44 3.12 1.01 0.14 -4.84 120.40 120.33 2ys2 s VAL 21 Ca -0.06 -1.18 -0.05 0.00 0.00 0.00 0.00 61.98 60.69 2ys2 s VAL 21 Cb -0.19 -0.81 0.04 0.00 0.00 0.00 0.00 36.38 35.42 2ys2 s VAL 21 CO -0.05 -0.33 0.67 0.47 0.00 0.00 0.00 175.10 175.87 2ys2 n ASP 22 N 1.37 -1.91 -3.34 3.32 8.00 -1.26 -0.71 116.55 122.03 2ys2 n ASP 22 Ca -0.22 -0.90 -0.24 0.00 0.71 0.00 0.00 54.79 54.14 2ys2 n ASP 22 Cb 0.54 -3.51 0.01 0.00 -0.02 0.00 0.00 41.12 38.15 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 -1.72 -0.50 3.57 0.44 0.00 -1.26 -4.93 105.19 100.78 2ys2 n GLY 23 Ca -0.18 0.12 -0.12 0.00 0.00 0.00 0.00 46.02 45.83 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 -6.01 0.70 0.94 1.61 -2.85 0.12 -4.57 119.74 109.69 2ys2 s LYS 24 Ca 0.41 0.20 -0.14 0.00 -1.00 0.00 0.00 55.97 55.43 2ys2 s LYS 24 Cb -0.21 0.33 0.17 0.00 -2.06 0.00 0.00 37.83 36.06 2ys2 s LYS 24 CO 0.50 -0.21 1.20 -0.06 0.10 0.00 0.00 175.35 176.88 2ys2 s PHE 25 N -1.07 2.05 -0.02 1.78 0.08 0.56 0.23 117.98 121.59 2ys2 s PHE 25 Ca -0.04 0.62 0.06 0.00 0.12 0.00 0.00 56.93 57.69 2ys2 s PHE 25 Cb -0.01 -3.65 -0.09 0.00 -0.57 0.00 0.00 43.02 38.71 2ys2 s PHE 25 CO 0.03 -2.54 0.10 1.28 -0.10 0.00 0.00 175.22 174.00 2ys2 n LEU 26 N -3.81 0.00 0.03 -0.37 4.32 -0.94 -3.69 117.00 112.54 2ys2 n LEU 26 Ca 0.10 0.00 -0.10 0.00 -0.02 0.00 0.00 56.01 56.00 2ys2 n LEU 26 Cb 0.60 0.04 -0.07 0.00 -1.62 0.00 0.00 43.42 42.36 2ys2 n LEU 26 CO 0.52 0.04 0.34 0.00 -1.22 0.00 0.00 177.39 177.06 2ys2 n GLN 29 N -1.19 -0.81 -3.24 0.00 3.00 -1.24 -4.84 117.38 109.07 2ys2 n GLN 29 Ca 0.20 0.10 -0.39 0.00 -0.01 0.00 0.00 57.00 56.90 2ys2 n GLN 29 Cb 0.74 -3.44 -0.06 0.00 0.00 0.00 0.00 30.24 27.48 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 -5.81 4.32 -0.88 -1.09 -0.21 -1.26 -4.70 119.66 110.03 2ys2 s GLN 30 Ca 0.54 0.53 -0.03 0.00 0.02 0.00 0.00 55.36 56.42 2ys2 s GLN 30 Cb -0.32 -3.47 0.18 0.00 1.00 0.00 0.00 33.01 30.40 2ys2 s GLN 30 CO 0.78 0.05 2.36 0.43 -2.12 0.00 0.00 175.29 176.78 2ys2 n SER 31 N 4.02 7.28 -3.49 5.90 7.64 -1.26 -0.32 113.62 133.39 2ys2 n SER 31 Ca -0.05 -3.39 -0.21 0.00 1.01 0.00 0.00 58.87 56.23 2ys2 n SER 31 Cb 0.51 -1.23 -0.13 0.00 -1.01 0.00 0.00 64.21 62.35 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 8.33 0.08 -0.96 0.00 3.64 -1.93 0.80 116.57 126.54 2ys2 h LYS 33 Ca -0.16 -0.01 -0.60 0.00 -1.27 0.00 0.00 60.65 58.62 2ys2 h LYS 33 Cb 1.11 -0.02 -0.39 0.00 -0.41 0.00 0.00 32.23 32.53 2ys2 h LYS 33 CO 0.32 0.06 -0.33 0.00 -2.27 0.00 0.00 179.45 177.23 2ys2 n ALA 34 N -2.57 5.40 -1.62 5.00 0.00 -1.26 -5.06 120.51 120.40 2ys2 n ALA 34 Ca 0.37 -3.80 -0.36 0.00 0.00 0.00 0.00 53.44 49.66 2ys2 n ALA 34 Cb 1.46 -0.76 0.06 0.00 0.00 0.00 0.00 19.45 20.20 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 -3.67 2.37 -0.02 0.00 0.00 0.28 -4.94 121.76 115.79 2ys2 s ALA 35 Ca 0.54 1.01 -0.30 0.00 0.00 0.00 0.00 51.96 53.21 2ys2 s ALA 35 Cb 0.43 -3.48 -0.05 0.00 0.00 0.00 0.00 23.12 20.02 2ys2 s ALA 35 CO -0.02 -1.49 1.47 -1.25 0.00 0.00 0.00 175.76 174.46 2ys2 s PRO 36 N -3.54 4.25 -0.39 0.00 0.04 -1.26 -4.85 135.00 129.25 2ys2 s PRO 36 Ca 0.78 2.02 -0.34 0.00 0.04 0.00 0.00 61.00 63.50 2ys2 s PRO 36 Cb -0.32 -3.67 -0.15 0.00 0.04 0.00 0.00 34.50 30.40 2ys2 s PRO 36 CO 0.39 -0.66 1.65 0.41 0.04 0.00 0.00 177.00 178.83 2ys2 n GLY 37 N 3.78 -0.12 0.30 0.56 0.00 -1.26 -4.75 105.19 103.69 2ys2 n GLY 37 Ca 0.14 0.86 0.04 0.00 0.00 0.00 0.00 46.02 47.06 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 0.48 0.53 -1.55 0.00 1.35 -1.86 -3.43 112.91 108.43 2ys2 h THR 39 Ca 0.13 -0.05 -0.50 0.00 -0.55 0.00 0.00 66.41 65.44 2ys2 h THR 39 Cb 0.00 0.37 0.14 0.00 -1.73 0.00 0.00 68.15 66.93 2ys2 h THR 39 CO -0.02 0.03 -0.89 0.00 -0.25 0.00 0.00 175.52 174.39 2ys2 n LEU 40 N -4.36 -2.79 -4.98 3.87 -0.00 -0.75 -4.95 117.00 103.04 2ys2 n LEU 40 Ca 0.22 0.58 -0.20 0.00 -0.00 0.00 0.00 56.01 56.60 2ys2 n LEU 40 Cb 0.97 -0.70 0.01 0.00 -0.00 0.00 0.00 43.42 43.70 2ys2 n LEU 40 CO 0.35 -3.76 0.20 -1.66 -0.00 0.00 0.00 177.39 172.53 2ys2 s TRP 41 N -1.55 3.05 -0.06 1.47 -2.14 -1.26 -5.12 118.94 113.33 2ys2 s TRP 41 Ca 0.47 -0.06 -0.03 0.00 2.66 0.00 0.00 56.10 59.14 2ys2 s TRP 41 Cb -0.44 -2.30 0.04 0.00 -3.10 0.00 0.00 33.47 27.66 2ys2 s TRP 41 CO 0.53 -0.35 0.14 -1.21 -2.66 0.00 0.00 176.95 173.40 2ys2 s GLU 42 N -4.44 0.08 0.01 3.25 2.02 -1.26 -5.15 118.70 113.21 2ys2 s GLU 42 Ca 0.50 0.37 -0.11 0.00 0.02 0.00 0.00 54.97 55.74 2ys2 s GLU 42 Cb -0.10 -0.19 -0.05 0.00 0.10 0.00 0.00 34.13 33.89 2ys2 s GLU 42 CO 0.35 -0.17 0.35 0.00 0.02 0.00 0.00 175.26 175.81 2ys2 s ALA 43 N 1.20 3.75 0.11 5.21 0.00 -1.26 -5.09 121.76 125.68 2ys2 s ALA 43 Ca -0.09 -0.36 -0.10 0.00 0.00 0.00 0.00 51.96 51.41 2ys2 s ALA 43 Cb -0.12 -2.26 -0.06 0.00 0.00 0.00 0.00 23.12 20.68 2ys2 s ALA 43 CO -0.06 0.54 0.43 1.52 0.00 0.00 0.00 175.76 178.20 2ys2 s TYR 44 N -1.19 3.56 -0.36 0.00 1.13 -1.26 -5.07 117.35 114.16 2ys2 s TYR 44 Ca 0.26 0.80 -0.04 0.00 -1.41 0.00 0.00 57.07 56.68 2ys2 s TYR 44 Cb -0.15 -2.18 0.08 0.00 -1.10 0.00 0.00 41.96 38.61 2ys2 s TYR 44 CO 0.14 0.47 0.13 -1.12 -2.51 0.00 0.00 175.55 172.65 2ys2 s SER 45 N -1.90 5.18 0.00 -0.18 0.01 -1.26 -5.02 113.70 110.53 2ys2 s SER 45 Ca 0.36 -1.60 0.00 0.00 1.31 0.00 0.00 55.95 56.02 2ys2 s SER 45 Cb -0.14 -1.81 0.00 0.00 0.21 0.00 0.00 66.02 64.29 2ys2 s SER 45 CO 0.19 -0.42 0.00 0.61 0.41 0.00 0.00 173.24 174.04 2ys2 n GLY 46 N 4.66 4.55 3.77 3.44 0.00 -1.26 -5.12 105.19 115.23 2ys2 n GLY 46 Ca -0.08 -1.37 -0.39 0.00 0.00 0.00 0.00 46.02 44.19 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 -3.48 4.07 -0.69 1.61 0.04 -1.26 -4.95 135.00 130.34 2ys2 s PRO 47 Ca 0.00 1.90 -0.02 0.00 0.04 0.00 0.00 61.00 62.92 2ys2 s PRO 47 Cb 0.00 -2.72 0.41 0.00 0.04 0.00 0.00 34.50 32.24 2ys2 s PRO 47 CO 0.00 -0.33 2.05 0.45 0.04 0.00 0.00 177.00 179.21 2ys2 n SER 48 N 0.14 7.61 0.07 6.66 2.88 -1.26 -4.66 113.62 125.06 2ys2 n SER 48 Ca 0.04 -3.76 -0.13 0.00 -1.33 0.00 0.00 58.87 53.69 2ys2 n SER 48 Cb 0.46 -1.01 -0.08 0.00 -0.75 0.00 0.00 64.21 62.84 2ys2 n SER 48 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2ys2 h SER 49 N 2.19 -0.09 0.00 -3.46 0.02 -2.07 -3.57 113.55 106.57 2ys2 h SER 49 Ca 0.58 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.46 2ys2 h SER 49 Cb 0.65 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.22 2ys2 h SER 49 CO 1.52 0.02 0.00 0.61 -1.14 0.00 0.00 176.83 177.83