#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 4.10 -0.57 1.61 1.04 -1.26 -4.80 113.70 113.81 2ys2 s SER 2 Ca 0.00 2.30 -0.28 0.00 0.48 0.00 0.00 55.95 58.45 2ys2 s SER 2 Cb 0.00 -2.58 -0.10 0.00 0.10 0.00 0.00 66.02 63.43 2ys2 s SER 2 CO 0.00 -2.33 2.45 -1.20 0.98 0.00 0.00 173.24 173.14 2ys2 n SER 3 N -2.92 1.93 -0.27 7.02 7.64 -1.26 -4.29 113.62 121.47 2ys2 n SER 3 Ca 0.13 -0.26 0.00 0.00 1.01 0.00 0.00 58.87 59.75 2ys2 n SER 3 Cb 0.51 -1.42 0.00 0.00 -1.01 0.00 0.00 64.21 62.29 2ys2 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2ys2 n GLY 4 N 6.14 -3.12 3.57 0.23 0.00 -1.26 -4.87 105.19 105.88 2ys2 n GLY 4 Ca 0.43 -0.89 -0.41 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.38 5.94 -0.85 1.61 1.04 -1.26 -4.95 113.70 114.85 2ys2 s SER 5 Ca 0.00 0.21 -0.17 0.00 0.48 0.00 0.00 55.95 56.47 2ys2 s SER 5 Cb 0.00 -2.54 0.15 0.00 0.10 0.00 0.00 66.02 63.73 2ys2 s SER 5 CO 0.00 -1.88 0.97 -0.44 0.98 0.00 0.00 173.24 172.87 2ys2 s SER 6 N 5.18 6.61 0.00 7.02 0.01 -1.26 -5.01 113.70 126.25 2ys2 s SER 6 Ca 0.54 -2.15 0.00 0.00 1.31 0.00 0.00 55.95 55.65 2ys2 s SER 6 Cb -0.11 -2.33 0.00 0.00 0.21 0.00 0.00 66.02 63.79 2ys2 s SER 6 CO 0.23 -0.93 0.00 0.61 0.41 0.00 0.00 173.24 173.56 2ys2 n GLY 7 N 5.00 -0.70 3.07 3.44 0.00 -1.26 -4.94 105.19 109.79 2ys2 n GLY 7 Ca 0.16 -1.08 -0.35 0.00 0.00 0.00 0.00 46.02 44.76 2ys2 n GLY 7 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2ys2 s ASN 8 N -1.35 5.78 -0.37 1.61 3.84 -1.26 -5.05 114.94 118.14 2ys2 s ASN 8 Ca 0.00 -3.74 -0.28 0.00 0.21 0.00 0.00 52.86 49.05 2ys2 s ASN 8 Cb 0.00 -1.86 -0.01 0.00 -0.55 0.00 0.00 41.25 38.83 2ys2 s ASN 8 CO 0.00 -0.17 1.71 -2.16 -2.79 0.00 0.00 177.10 173.70 2ys2 s PRO 9 N -1.35 3.34 0.38 0.43 0.04 -1.26 -4.99 135.00 131.59 2ys2 s PRO 9 Ca 0.27 1.25 -0.24 0.00 0.04 0.00 0.00 61.00 62.32 2ys2 s PRO 9 Cb -0.07 -4.17 -0.09 0.00 0.04 0.00 0.00 34.50 30.21 2ys2 s PRO 9 CO -0.13 -1.85 1.03 -3.38 0.04 0.00 0.00 177.00 172.70 2ys2 s HIS 10 N 6.71 3.36 -0.14 0.56 -3.43 -1.26 -5.06 115.29 116.02 2ys2 s HIS 10 Ca 0.74 1.67 -0.09 0.00 -0.80 0.00 0.00 55.06 56.58 2ys2 s HIS 10 Cb -0.20 -3.08 0.05 0.00 -1.43 0.00 0.00 32.58 27.92 2ys2 s HIS 10 CO 0.32 -0.44 0.36 -1.17 -2.00 0.00 0.00 174.74 171.81 2ys2 s LEU 11 N -2.51 0.25 -1.09 5.38 0.20 -1.26 -4.92 118.68 114.73 2ys2 s LEU 11 Ca 0.56 0.75 -0.01 0.00 0.69 0.00 0.00 54.13 56.13 2ys2 s LEU 11 Cb -0.21 1.17 0.00 0.00 -0.43 0.00 0.00 46.19 46.72 2ys2 s LEU 11 CO 0.27 -0.16 0.91 0.18 -0.29 0.00 0.00 176.35 177.25 2ys2 n LEU 12 N 3.81 -3.79 -4.79 -0.68 4.77 -1.26 -5.01 117.00 110.05 2ys2 n LEU 12 Ca -0.20 -0.55 -0.33 0.00 -0.03 0.00 0.00 56.01 54.89 2ys2 n LEU 12 Cb 0.55 -2.86 -0.07 0.00 -2.33 0.00 0.00 43.42 38.72 2ys2 n LEU 12 CO 0.12 0.36 -0.24 0.68 -1.33 0.00 0.00 177.39 176.98 2ys2 s VAL 13 N -3.32 4.79 0.60 4.08 -7.23 -1.26 -5.10 120.40 112.96 2ys2 s VAL 13 Ca 0.04 -0.38 -0.14 0.00 -1.81 0.00 0.00 61.98 59.69 2ys2 s VAL 13 Cb -0.02 -3.19 -0.03 0.00 0.56 0.00 0.00 36.38 33.69 2ys2 s VAL 13 CO 0.66 0.35 1.04 -0.54 -0.31 0.00 0.00 175.10 176.30 2ys2 s LYS 14 N -1.74 3.38 0.33 4.82 3.01 -1.26 -5.07 119.74 123.20 2ys2 s LYS 14 Ca 0.23 1.05 -0.03 0.00 -1.01 0.00 0.00 55.97 56.21 2ys2 s LYS 14 Cb -0.12 -2.05 -0.00 0.00 -1.01 0.00 0.00 37.83 34.65 2ys2 s LYS 14 CO 0.14 -0.75 0.45 1.52 0.51 0.00 0.00 175.35 177.23 2ys2 s TYR 15 N -2.69 1.01 -0.20 3.18 -0.85 -1.26 -4.90 117.35 111.63 2ys2 s TYR 15 Ca 0.60 -1.25 -0.05 0.00 -0.52 0.00 0.00 57.07 55.86 2ys2 s TYR 15 Cb -0.14 -0.09 -0.02 0.00 0.38 0.00 0.00 41.96 42.09 2ys2 s TYR 15 CO 0.42 -1.09 -0.01 -1.01 -1.52 0.00 0.00 175.55 172.33 2ys2 s HIS 16 N -3.22 3.02 -0.13 -3.49 3.76 -1.26 -3.43 115.29 110.54 2ys2 s HIS 16 Ca 0.30 -0.54 0.01 0.00 -0.15 0.00 0.00 55.06 54.67 2ys2 s HIS 16 Cb -0.00 -2.08 0.16 0.00 1.11 0.00 0.00 32.58 31.76 2ys2 s HIS 16 CO 0.19 -0.30 1.44 -1.13 -0.85 0.00 0.00 174.74 174.10 2ys2 n SER 17 N 4.34 3.93 -3.51 1.40 3.41 -1.26 -4.83 113.62 117.10 2ys2 n SER 17 Ca -0.17 -2.51 -0.11 0.00 -0.26 0.00 0.00 58.87 55.82 2ys2 n SER 17 Cb 0.52 -0.72 -0.03 0.00 -0.26 0.00 0.00 64.21 63.71 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 0.57 -0.45 0.85 5.00 0.00 -1.26 -4.60 107.32 107.43 2ys2 s GLY 18 Ca 0.15 1.25 -0.14 0.00 0.00 0.00 0.00 44.72 45.97 2ys2 s GLY 18 CO 0.02 0.57 0.97 0.69 0.00 0.00 0.00 173.10 175.35 2ys2 n PHE 19 N 0.13 -3.88 -3.81 1.90 3.72 -1.26 -4.61 117.46 109.65 2ys2 n PHE 19 Ca -0.11 -0.86 -0.30 0.00 -0.05 0.00 0.00 57.45 56.12 2ys2 n PHE 19 Cb 0.61 -0.84 -0.15 0.00 -0.94 0.00 0.00 39.48 38.15 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 -2.98 2.17 0.33 1.38 2.19 -1.26 -1.00 117.98 118.80 2ys2 s PHE 20 Ca 0.58 -1.97 0.03 0.00 0.33 0.00 0.00 56.93 55.90 2ys2 s PHE 20 Cb -0.03 -1.93 -0.04 0.00 -1.31 0.00 0.00 43.02 39.71 2ys2 s PHE 20 CO 0.42 -0.87 0.14 0.14 1.83 0.00 0.00 175.22 176.88 2ys2 s VAL 21 N 1.46 0.51 -1.65 3.12 -7.23 0.16 -4.82 120.40 111.96 2ys2 s VAL 21 Ca 0.08 -2.00 -0.13 0.00 -1.81 0.00 0.00 61.98 58.13 2ys2 s VAL 21 Cb -0.18 -2.51 0.11 0.00 0.56 0.00 0.00 36.38 34.36 2ys2 s VAL 21 CO -0.19 0.00 0.56 -0.67 -0.31 0.00 0.00 175.10 174.49 2ys2 n ASP 22 N -0.98 -1.80 -3.91 4.85 -0.08 -1.26 0.19 116.55 113.56 2ys2 n ASP 22 Ca -0.01 -1.09 -0.30 0.00 -1.51 0.00 0.00 54.79 51.88 2ys2 n ASP 22 Cb 0.65 -2.48 0.03 0.00 2.34 0.00 0.00 41.12 41.66 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 -1.64 -0.49 3.75 0.27 0.00 -1.26 -4.92 105.19 100.89 2ys2 n GLY 23 Ca -0.06 0.19 -0.01 0.00 0.00 0.00 0.00 46.02 46.15 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 -6.60 0.81 0.56 1.61 -2.85 0.13 -4.72 119.74 108.67 2ys2 s LYS 24 Ca 0.64 -0.47 0.01 0.00 -1.00 0.00 0.00 55.97 55.15 2ys2 s LYS 24 Cb -0.32 0.26 0.04 0.00 -2.06 0.00 0.00 37.83 35.75 2ys2 s LYS 24 CO 0.83 -0.37 0.79 -0.06 0.10 0.00 0.00 175.35 176.64 2ys2 s PHE 25 N -2.61 2.75 -0.05 1.78 0.08 -1.26 0.37 117.98 119.04 2ys2 s PHE 25 Ca 0.17 -0.05 0.12 0.00 0.12 0.00 0.00 56.93 57.29 2ys2 s PHE 25 Cb 0.01 -2.76 -0.18 0.00 -0.57 0.00 0.00 43.02 39.52 2ys2 s PHE 25 CO -0.00 -0.93 0.27 1.28 -0.10 0.00 0.00 175.22 175.74 2ys2 n LEU 26 N -2.37 0.03 -0.04 -0.37 7.99 -0.17 -3.04 117.00 119.03 2ys2 n LEU 26 Ca 0.09 -0.03 -0.21 0.00 -0.01 0.00 0.00 56.01 55.85 2ys2 n LEU 26 Cb 0.60 0.00 -0.13 0.00 -0.11 0.00 0.00 43.42 43.77 2ys2 n LEU 26 CO 0.45 0.01 -0.95 0.00 -1.51 0.00 0.00 177.39 175.38 2ys2 n GLN 29 N -1.59 -5.42 -2.93 0.00 3.00 -1.17 -4.92 117.38 104.35 2ys2 n GLN 29 Ca -0.00 0.66 -0.41 0.00 -0.01 0.00 0.00 57.00 57.23 2ys2 n GLN 29 Cb 0.08 -5.36 -0.04 0.00 0.00 0.00 0.00 30.24 24.91 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 -6.04 4.25 0.26 -1.09 -0.21 -1.26 -4.62 119.66 110.96 2ys2 s GLN 30 Ca 0.15 0.93 -0.03 0.00 0.02 0.00 0.00 55.36 56.43 2ys2 s GLN 30 Cb -0.08 -3.59 0.55 0.00 1.00 0.00 0.00 33.01 30.90 2ys2 s GLN 30 CO 0.80 -0.36 1.65 1.03 -2.12 0.00 0.00 175.29 176.29 2ys2 h SER 31 N 7.45 -0.13 -4.29 5.90 0.87 -1.92 -3.35 113.55 118.09 2ys2 h SER 31 Ca -0.28 0.19 -0.52 0.00 -1.23 0.00 0.00 61.79 59.95 2ys2 h SER 31 Cb 1.12 0.28 0.15 0.00 -0.44 0.00 0.00 62.40 63.51 2ys2 h SER 31 CO 0.83 -0.14 0.30 0.00 -0.53 0.00 0.00 176.83 177.30 2ys2 n LYS 33 N -3.61 0.50 -0.55 0.00 4.81 -1.26 -4.51 118.16 113.54 2ys2 n LYS 33 Ca 0.10 0.22 -0.06 0.00 -0.87 0.00 0.00 58.31 57.70 2ys2 n LYS 33 Cb 0.53 -1.35 0.02 0.00 0.02 0.00 0.00 35.03 34.24 2ys2 n LYS 33 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2ys2 n ALA 34 N -4.14 4.12 -1.88 3.14 0.00 -1.26 -4.91 120.51 115.57 2ys2 n ALA 34 Ca -0.40 -0.60 -0.31 0.00 0.00 0.00 0.00 53.44 52.13 2ys2 n ALA 34 Cb 0.76 -1.13 0.02 0.00 0.00 0.00 0.00 19.45 19.10 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 -0.67 3.02 0.53 0.00 0.00 -1.26 -5.04 121.76 118.34 2ys2 s ALA 35 Ca 0.11 -0.20 -0.20 0.00 0.00 0.00 0.00 51.96 51.68 2ys2 s ALA 35 Cb 0.09 -3.05 -0.06 0.00 0.00 0.00 0.00 23.12 20.10 2ys2 s ALA 35 CO 0.00 -0.87 1.13 -1.25 0.00 0.00 0.00 175.76 174.78 2ys2 s PRO 36 N -5.25 3.43 0.07 0.00 0.04 -1.26 -4.93 135.00 127.09 2ys2 s PRO 36 Ca 0.56 1.63 -0.35 0.00 0.04 0.00 0.00 61.00 62.89 2ys2 s PRO 36 Cb -0.11 -2.07 -0.14 0.00 0.04 0.00 0.00 34.50 32.22 2ys2 s PRO 36 CO 0.53 -0.79 1.62 0.41 0.04 0.00 0.00 177.00 178.81 2ys2 n GLY 37 N 0.20 1.09 0.14 0.56 0.00 -1.26 -4.89 105.19 101.02 2ys2 n GLY 37 Ca 0.11 0.73 -0.15 0.00 0.00 0.00 0.00 46.02 46.71 2ys2 n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ys2 n THR 39 N -4.42 -0.04 -3.50 0.00 -1.04 -1.22 -4.83 114.28 99.23 2ys2 n THR 39 Ca -0.08 -0.62 -0.13 0.00 -2.04 0.00 0.00 64.05 61.19 2ys2 n THR 39 Cb 0.48 -2.22 -0.04 0.00 -1.82 0.00 0.00 70.33 66.74 2ys2 n THR 39 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 2ys2 s LEU 40 N 12.89 -0.51 0.25 -4.42 2.96 -1.26 -4.36 118.68 124.23 2ys2 s LEU 40 Ca 0.99 0.30 0.10 0.00 -0.22 0.00 0.00 54.13 55.29 2ys2 s LEU 40 Cb -0.22 2.30 -0.04 0.00 0.50 0.00 0.00 46.19 48.72 2ys2 s LEU 40 CO 0.20 -0.65 -0.08 -1.66 -1.32 0.00 0.00 176.35 172.83 2ys2 s TRP 41 N -2.31 2.56 0.32 5.38 1.48 -1.26 -5.15 118.94 119.96 2ys2 s TRP 41 Ca -0.02 -0.26 0.03 0.00 -1.06 0.00 0.00 56.10 54.79 2ys2 s TRP 41 Cb -0.01 -1.15 -0.04 0.00 -1.16 0.00 0.00 33.47 31.11 2ys2 s TRP 41 CO -0.02 0.62 0.14 -1.21 -4.06 0.00 0.00 176.95 172.42 2ys2 s GLU 42 N -3.44 1.64 -0.53 3.25 8.01 -1.26 -5.05 118.70 121.33 2ys2 s GLU 42 Ca 0.29 -1.94 -0.02 0.00 0.01 0.00 0.00 54.97 53.32 2ys2 s GLU 42 Cb -0.07 -0.26 0.31 0.00 -4.31 0.00 0.00 34.13 29.81 2ys2 s GLU 42 CO 0.17 -0.42 2.10 0.00 0.01 0.00 0.00 175.26 177.13 2ys2 n ALA 43 N -0.63 5.89 -2.83 5.21 0.00 -1.26 -4.92 120.51 121.96 2ys2 n ALA 43 Ca -0.00 -2.77 -0.34 0.00 0.00 0.00 0.00 53.44 50.32 2ys2 n ALA 43 Cb 0.65 -1.67 -0.10 0.00 0.00 0.00 0.00 19.45 18.33 2ys2 n ALA 43 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2ys2 s TYR 44 N -2.86 3.24 -0.68 0.00 2.02 -1.26 -5.00 117.35 112.81 2ys2 s TYR 44 Ca 0.50 0.05 -0.01 0.00 -0.37 0.00 0.00 57.07 57.24 2ys2 s TYR 44 Cb 0.39 -2.07 0.43 0.00 -0.40 0.00 0.00 41.96 40.31 2ys2 s TYR 44 CO -0.06 0.15 1.94 0.43 -1.57 0.00 0.00 175.55 176.44 2ys2 n SER 45 N 3.51 7.37 0.00 2.29 7.64 -1.26 -4.82 113.62 128.35 2ys2 n SER 45 Ca -0.17 -3.80 0.00 0.00 1.01 0.00 0.00 58.87 55.92 2ys2 n SER 45 Cb 0.52 -0.94 0.00 0.00 -1.01 0.00 0.00 64.21 62.79 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 -0.80 0.73 0.20 0.23 0.00 -1.26 -5.04 105.19 99.25 2ys2 n GLY 46 Ca 0.59 -0.65 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 2ys2 n GLY 46 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ys2 h PRO 47 N 0.00 0.66 -6.85 1.61 0.13 -1.91 -3.45 132.00 122.18 2ys2 h PRO 47 Ca 0.00 -0.35 -0.49 0.00 -0.87 0.00 0.00 66.00 64.29 2ys2 h PRO 47 Cb 0.00 0.01 0.02 0.00 0.13 0.00 0.00 31.00 31.16 2ys2 h PRO 47 CO 0.00 0.95 0.07 0.45 -0.23 0.00 0.00 178.00 179.24 2ys2 s SER 48 N -6.49 6.34 -0.21 1.44 0.15 -1.26 -4.97 113.70 108.70 2ys2 s SER 48 Ca -0.13 0.93 -0.41 0.00 0.70 0.00 0.00 55.95 57.04 2ys2 s SER 48 Cb 0.08 -2.24 -0.17 0.00 -1.71 0.00 0.00 66.02 61.98 2ys2 s SER 48 CO 0.82 -0.49 1.57 -0.24 1.20 0.00 0.00 173.24 176.10 2ys2 n SER 49 N -1.91 1.78 0.00 5.45 2.88 -1.26 -5.18 113.62 115.38 2ys2 n SER 49 Ca 0.00 1.11 0.00 0.00 -1.33 0.00 0.00 58.87 58.66 2ys2 n SER 49 Cb 0.55 -1.08 0.00 0.00 -0.75 0.00 0.00 64.21 62.92 2ys2 n SER 49 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42