#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 1.50 0.20 1.61 0.15 -1.26 -5.18 113.70 110.73 2ys2 s SER 2 Ca 0.00 -1.43 0.01 0.00 0.70 0.00 0.00 55.95 55.23 2ys2 s SER 2 Cb 0.00 0.19 -0.05 0.00 -1.71 0.00 0.00 66.02 64.45 2ys2 s SER 2 CO 0.00 -0.75 0.05 -0.55 1.20 0.00 0.00 173.24 173.18 2ys2 s SER 3 N -3.36 1.11 0.00 5.45 0.15 -1.26 -5.13 113.70 110.66 2ys2 s SER 3 Ca 0.36 -1.26 0.00 0.00 0.70 0.00 0.00 55.95 55.75 2ys2 s SER 3 Cb 0.07 0.16 0.00 0.00 -1.71 0.00 0.00 66.02 64.54 2ys2 s SER 3 CO 0.15 -0.65 0.00 0.61 1.20 0.00 0.00 173.24 174.55 2ys2 n GLY 4 N -0.32 -0.44 3.24 9.45 0.00 -1.26 -5.14 105.19 110.73 2ys2 n GLY 4 Ca -0.04 0.69 -0.35 0.00 0.00 0.00 0.00 46.02 46.33 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 0.00 4.57 -0.10 1.61 0.01 -1.26 -5.09 113.70 113.44 2ys2 s SER 5 Ca 0.00 -0.82 0.03 0.00 1.31 0.00 0.00 55.95 56.46 2ys2 s SER 5 Cb 0.00 -1.73 0.01 0.00 0.21 0.00 0.00 66.02 64.51 2ys2 s SER 5 CO 0.00 -0.15 -0.18 -0.94 0.41 0.00 0.00 173.24 172.38 2ys2 s SER 6 N 1.38 2.57 0.00 2.44 1.04 -1.26 -4.93 113.70 114.94 2ys2 s SER 6 Ca 0.01 -0.46 0.00 0.00 0.48 0.00 0.00 55.95 55.98 2ys2 s SER 6 Cb -0.17 -1.17 0.00 0.00 0.10 0.00 0.00 66.02 64.78 2ys2 s SER 6 CO -0.02 0.07 0.00 0.61 0.98 0.00 0.00 173.24 174.88 2ys2 n GLY 7 N 3.91 0.64 3.25 7.32 0.00 -1.26 -5.10 105.19 113.95 2ys2 n GLY 7 Ca -0.20 -0.16 -0.25 0.00 0.00 0.00 0.00 46.02 45.41 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 -4.00 2.44 0.03 1.61 0.01 -1.26 -5.02 114.94 108.75 2ys2 s ASN 8 Ca 0.00 -0.53 0.15 0.00 -0.71 0.00 0.00 52.86 51.78 2ys2 s ASN 8 Cb 0.00 -0.20 0.65 0.00 0.41 0.00 0.00 41.25 42.12 2ys2 s ASN 8 CO 0.00 0.15 1.49 -0.81 -1.51 0.00 0.00 177.10 176.41 2ys2 n PRO 9 N 1.81 0.02 -3.60 -0.60 -0.04 -1.26 -4.81 135.00 126.52 2ys2 n PRO 9 Ca -0.17 0.28 -0.06 0.00 -0.04 0.00 0.00 63.50 63.51 2ys2 n PRO 9 Cb 0.53 -1.55 -0.04 0.00 -0.04 0.00 0.00 33.50 32.41 2ys2 n PRO 9 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2ys2 s HIS 10 N -3.04 -0.18 -0.19 0.54 2.46 -1.26 -5.07 115.29 108.54 2ys2 s HIS 10 Ca 0.07 0.24 -0.21 0.00 0.47 0.00 0.00 55.06 55.62 2ys2 s HIS 10 Cb 0.09 0.49 -0.19 0.00 -0.13 0.00 0.00 32.58 32.85 2ys2 s HIS 10 CO 0.28 -0.21 0.28 1.25 -2.47 0.00 0.00 174.74 173.86 2ys2 h LEU 11 N 2.17 0.00 -6.88 8.88 5.85 -2.05 -3.41 115.31 119.88 2ys2 h LEU 11 Ca -0.12 -0.54 -0.56 0.00 0.84 0.00 0.00 57.88 57.49 2ys2 h LEU 11 Cb 1.18 0.00 0.06 0.00 0.37 0.00 0.00 40.66 42.27 2ys2 h LEU 11 CO 0.25 1.33 1.81 -0.11 -0.34 0.00 0.00 178.44 181.38 2ys2 n LEU 12 N -4.49 3.08 -2.57 2.25 0.00 -1.26 -4.47 117.00 109.56 2ys2 n LEU 12 Ca -0.26 -2.58 -0.12 0.00 0.00 0.00 0.00 56.01 53.05 2ys2 n LEU 12 Cb 0.60 -1.08 0.03 0.00 0.00 0.00 0.00 43.42 42.97 2ys2 n LEU 12 CO 0.20 -1.11 0.03 0.52 0.00 0.00 0.00 177.39 177.03 2ys2 n VAL 13 N 6.63 1.62 -0.67 1.96 0.31 -1.26 -5.07 118.33 121.84 2ys2 n VAL 13 Ca 0.48 -3.58 -0.31 0.00 -0.01 0.00 0.00 64.34 60.92 2ys2 n VAL 13 Cb 0.42 0.17 0.28 0.00 -0.91 0.00 0.00 33.84 33.80 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 -3.50 -2.50 0.05 5.55 3.01 -1.26 -5.08 119.74 116.01 2ys2 s LYS 14 Ca 0.35 -0.07 -0.02 0.00 -1.01 0.00 0.00 55.97 55.23 2ys2 s LYS 14 Cb 0.40 -1.45 -0.03 0.00 -1.01 0.00 0.00 37.83 35.74 2ys2 s LYS 14 CO -0.03 -4.55 -0.00 1.52 0.51 0.00 0.00 175.35 172.80 2ys2 s TYR 15 N -2.59 0.44 -0.17 3.18 -0.85 -1.26 -4.78 117.35 111.31 2ys2 s TYR 15 Ca 0.70 -0.93 -0.20 0.00 -0.52 0.00 0.00 57.07 56.12 2ys2 s TYR 15 Cb -0.10 -0.32 -0.03 0.00 0.38 0.00 0.00 41.96 41.89 2ys2 s TYR 15 CO 0.56 -0.38 0.57 -1.01 -1.52 0.00 0.00 175.55 173.77 2ys2 s HIS 16 N -3.59 3.41 -0.08 -3.49 3.76 -1.26 -3.77 115.29 110.28 2ys2 s HIS 16 Ca 0.04 0.89 -0.01 0.00 -0.15 0.00 0.00 55.06 55.83 2ys2 s HIS 16 Cb 0.05 -2.71 0.02 0.00 1.11 0.00 0.00 32.58 31.06 2ys2 s HIS 16 CO -0.09 -0.07 2.18 0.45 -0.85 0.00 0.00 174.74 176.36 2ys2 n SER 17 N 4.61 5.61 -2.44 1.40 2.88 -1.26 -4.82 113.62 119.60 2ys2 n SER 17 Ca -0.04 -2.58 -0.04 0.00 -1.33 0.00 0.00 58.87 54.89 2ys2 n SER 17 Cb 0.50 -1.14 0.02 0.00 -0.75 0.00 0.00 64.21 62.84 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 1.33 1.04 3.54 0.46 0.00 -1.26 -4.63 105.19 105.68 2ys2 n GLY 18 Ca 0.12 -1.13 -0.25 0.00 0.00 0.00 0.00 46.02 44.76 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 -3.72 2.41 -0.70 1.61 0.08 -1.26 -4.89 117.98 111.51 2ys2 s PHE 19 Ca 0.14 -0.39 -0.20 0.00 0.12 0.00 0.00 56.93 56.60 2ys2 s PHE 19 Cb -0.03 -1.21 0.10 0.00 -0.57 0.00 0.00 43.02 41.32 2ys2 s PHE 19 CO 0.06 0.63 0.88 0.12 -0.10 0.00 0.00 175.22 176.82 2ys2 s PHE 20 N -2.52 2.95 0.05 0.36 5.36 -1.26 -2.67 117.98 120.25 2ys2 s PHE 20 Ca 0.32 -0.96 0.09 0.00 -0.96 0.00 0.00 56.93 55.41 2ys2 s PHE 20 Cb -0.02 -4.16 -0.03 0.00 -0.34 0.00 0.00 43.02 38.47 2ys2 s PHE 20 CO 0.17 -1.44 -0.26 0.08 -1.46 0.00 0.00 175.22 172.31 2ys2 s VAL 21 N 3.03 2.07 -1.28 3.12 1.01 0.18 -4.73 120.40 123.80 2ys2 s VAL 21 Ca 0.20 -1.37 -0.04 0.00 0.00 0.00 0.00 61.98 60.76 2ys2 s VAL 21 Cb -0.17 -1.77 0.01 0.00 0.00 0.00 0.00 36.38 34.44 2ys2 s VAL 21 CO 0.04 0.33 1.07 0.47 0.00 0.00 0.00 175.10 177.01 2ys2 n ASP 22 N 1.76 -4.01 -3.56 3.32 8.00 -1.26 -2.08 116.55 118.72 2ys2 n ASP 22 Ca -0.17 -0.60 -0.26 0.00 0.71 0.00 0.00 54.79 54.47 2ys2 n ASP 22 Cb 0.52 -5.01 0.02 0.00 -0.02 0.00 0.00 41.12 36.63 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 -1.56 -0.50 3.69 0.44 0.00 -1.26 -4.92 105.19 101.09 2ys2 n GLY 23 Ca -0.15 0.15 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 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 -6.24 0.95 0.71 1.61 1.02 -0.89 -4.89 119.74 112.01 2ys2 s LYS 24 Ca 0.51 -0.51 -0.05 0.00 0.02 0.00 0.00 55.97 55.94 2ys2 s LYS 24 Cb -0.25 0.34 0.08 0.00 -0.52 0.00 0.00 37.83 37.47 2ys2 s LYS 24 CO 0.63 -0.43 1.01 -0.06 -0.92 0.00 0.00 175.35 175.57 2ys2 s PHE 25 N -3.05 2.56 0.00 3.18 0.08 -1.14 0.51 117.98 120.11 2ys2 s PHE 25 Ca 0.12 0.24 0.00 0.00 0.12 0.00 0.00 56.93 57.41 2ys2 s PHE 25 Cb 0.00 -3.19 0.00 0.00 -0.57 0.00 0.00 43.02 39.26 2ys2 s PHE 25 CO -0.00 -1.50 0.00 1.28 -0.10 0.00 0.00 175.22 174.89 2ys2 n LEU 26 N -2.91 0.00 0.02 -0.37 4.77 -1.09 -3.94 117.00 113.48 2ys2 n LEU 26 Ca 0.10 -0.19 -0.21 0.00 -0.03 0.00 0.00 56.01 55.69 2ys2 n LEU 26 Cb 0.60 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.55 2ys2 n LEU 26 CO 0.49 0.00 -0.21 0.00 -1.33 0.00 0.00 177.39 176.33 2ys2 n GLN 29 N -0.82 -0.87 -3.53 0.00 3.00 -1.25 -4.85 117.38 109.06 2ys2 n GLN 29 Ca 0.09 0.09 -0.37 0.00 -0.01 0.00 0.00 57.00 56.80 2ys2 n GLN 29 Cb 0.65 -3.09 -0.08 0.00 0.00 0.00 0.00 30.24 27.72 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 -5.97 4.19 0.21 -1.09 -0.21 -1.26 -4.80 119.66 110.71 2ys2 s GLN 30 Ca 0.31 0.03 -0.04 0.00 0.02 0.00 0.00 55.36 55.68 2ys2 s GLN 30 Cb -0.18 -3.49 0.16 0.00 1.00 0.00 0.00 33.01 30.51 2ys2 s GLN 30 CO 0.76 0.11 1.58 1.03 -2.12 0.00 0.00 175.29 176.65 2ys2 h SER 31 N 7.09 0.71 -2.96 5.90 0.87 -1.90 -3.02 113.55 120.25 2ys2 h SER 31 Ca -0.39 -0.31 -0.55 0.00 -1.23 0.00 0.00 61.79 59.31 2ys2 h SER 31 Cb 1.16 -0.20 0.20 0.00 -0.44 0.00 0.00 62.40 63.13 2ys2 h SER 31 CO 0.72 1.00 -0.75 0.00 -0.53 0.00 0.00 176.83 177.28 2ys2 n LYS 33 N -0.26 0.68 -1.05 0.00 4.81 -1.26 -4.34 118.16 116.73 2ys2 n LYS 33 Ca 0.07 0.26 -0.13 0.00 -0.87 0.00 0.00 58.31 57.64 2ys2 n LYS 33 Cb 0.52 -1.62 0.23 0.00 0.02 0.00 0.00 35.03 34.17 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 -3.29 4.94 -1.25 3.14 0.00 -1.26 -5.03 120.51 117.76 2ys2 n ALA 34 Ca -0.40 -2.76 -0.38 0.00 0.00 0.00 0.00 53.44 49.91 2ys2 n ALA 34 Cb 0.96 -1.22 0.04 0.00 0.00 0.00 0.00 19.45 19.23 2ys2 n ALA 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2ys2 n ALA 35 N -0.82 -2.69 -2.20 0.00 0.00 -1.26 -4.85 120.51 108.68 2ys2 n ALA 35 Ca 0.47 -0.19 -0.42 0.00 0.00 0.00 0.00 53.44 53.30 2ys2 n ALA 35 Cb 1.44 -1.56 -0.03 0.00 0.00 0.00 0.00 19.45 19.29 2ys2 n ALA 35 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2ys2 s PRO 36 N -1.83 4.33 -0.47 0.00 0.04 -1.26 -4.84 135.00 130.98 2ys2 s PRO 36 Ca 0.59 2.03 -0.32 0.00 0.04 0.00 0.00 61.00 63.34 2ys2 s PRO 36 Cb -0.40 -3.28 -0.15 0.00 0.04 0.00 0.00 34.50 30.71 2ys2 s PRO 36 CO 0.64 -0.43 1.75 0.41 0.04 0.00 0.00 177.00 179.41 2ys2 n GLY 37 N 3.48 -0.17 0.28 0.56 0.00 -1.26 -4.77 105.19 103.31 2ys2 n GLY 37 Ca 0.11 0.87 -0.05 0.00 0.00 0.00 0.00 46.02 46.96 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 -4.90 4.07 0.31 0.00 2.01 -1.25 -5.01 115.64 110.86 2ys2 s THR 39 Ca -0.09 1.26 0.09 0.00 0.31 0.00 0.00 61.69 63.25 2ys2 s THR 39 Cb 0.14 -3.92 -0.04 0.00 0.01 0.00 0.00 72.50 68.70 2ys2 s THR 39 CO 0.81 -0.23 0.09 -0.22 -0.69 0.00 0.00 174.62 174.39 2ys2 s LEU 40 N 4.03 3.27 -0.61 4.42 2.96 -1.26 -4.55 118.68 126.94 2ys2 s LEU 40 Ca 0.60 -0.69 -0.21 0.00 -0.22 0.00 0.00 54.13 53.61 2ys2 s LEU 40 Cb -0.23 -1.76 0.08 0.00 0.50 0.00 0.00 46.19 44.78 2ys2 s LEU 40 CO 0.21 -0.17 0.81 -1.66 -1.32 0.00 0.00 176.35 174.22 2ys2 s TRP 41 N -2.37 2.87 -0.17 5.38 1.48 -1.26 -4.99 118.94 119.88 2ys2 s TRP 41 Ca 0.35 -0.71 -0.08 0.00 -1.06 0.00 0.00 56.10 54.60 2ys2 s TRP 41 Cb -0.04 -4.07 0.07 0.00 -1.16 0.00 0.00 33.47 28.26 2ys2 s TRP 41 CO 0.22 -1.41 0.39 -1.83 -4.06 0.00 0.00 176.95 170.26 2ys2 s GLU 42 N 3.28 0.34 0.10 3.25 -1.05 -1.26 -5.07 118.70 118.29 2ys2 s GLU 42 Ca 0.17 0.84 -0.32 0.00 -0.15 0.00 0.00 54.97 55.51 2ys2 s GLU 42 Cb -0.20 0.07 -0.13 0.00 -0.44 0.00 0.00 34.13 33.43 2ys2 s GLU 42 CO 0.09 -0.20 1.52 0.00 0.95 0.00 0.00 175.26 177.62 2ys2 h ALA 43 N 7.54 -0.93 -2.08 -0.84 0.00 -2.09 -3.38 119.26 117.49 2ys2 h ALA 43 Ca -0.29 -0.08 -0.56 0.00 0.00 0.00 0.00 54.91 53.98 2ys2 h ALA 43 Cb 1.15 0.93 -0.03 0.00 0.00 0.00 0.00 17.79 19.84 2ys2 h ALA 43 CO 0.24 -1.08 1.09 -0.47 0.00 0.00 0.00 179.25 179.03 2ys2 s TYR 44 N -5.55 2.20 -0.01 0.00 5.04 -1.26 -4.82 117.35 112.95 2ys2 s TYR 44 Ca -0.15 0.56 -0.00 0.00 -2.44 0.00 0.00 57.07 55.04 2ys2 s TYR 44 Cb 0.06 -3.92 -0.00 0.00 0.35 0.00 0.00 41.96 38.45 2ys2 s TYR 44 CO 0.57 -2.87 -0.01 0.43 -1.34 0.00 0.00 175.55 172.33 2ys2 n SER 45 N 7.99 1.09 0.00 4.32 7.64 -1.26 -5.04 113.62 128.36 2ys2 n SER 45 Ca 0.18 0.01 0.00 0.00 1.01 0.00 0.00 58.87 60.06 2ys2 n SER 45 Cb 0.45 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.63 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 3.09 -1.87 0.10 0.23 0.00 -1.26 -5.06 105.19 100.43 2ys2 n GLY 46 Ca -0.01 0.84 -0.13 0.00 0.00 0.00 0.00 46.02 46.72 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 0.20 -5.05 1.61 0.13 -1.96 -3.41 132.00 123.52 2ys2 h PRO 47 Ca 0.00 -0.10 -0.68 0.00 -0.87 0.00 0.00 66.00 64.35 2ys2 h PRO 47 Cb 0.00 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 30.96 2ys2 h PRO 47 CO 0.00 0.63 0.05 0.45 -0.23 0.00 0.00 178.00 178.89 2ys2 s SER 48 N -5.93 6.24 -1.02 1.44 0.15 -1.26 -5.00 113.70 108.33 2ys2 s SER 48 Ca -0.15 -0.77 -0.23 0.00 0.70 0.00 0.00 55.95 55.50 2ys2 s SER 48 Cb 0.04 -2.29 0.03 0.00 -1.71 0.00 0.00 66.02 62.08 2ys2 s SER 48 CO 0.72 -0.85 1.60 -0.55 1.20 0.00 0.00 173.24 175.36 2ys2 s SER 49 N 2.47 6.17 0.00 5.45 0.15 -1.26 -5.21 113.70 121.47 2ys2 s SER 49 Ca 0.16 -1.35 0.00 0.00 0.70 0.00 0.00 55.95 55.47 2ys2 s SER 49 Cb -0.18 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.56 2ys2 s SER 49 CO 0.14 -1.81 0.00 0.61 1.20 0.00 0.00 173.24 173.37