#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yu8 n SER 2 N 0.00 0.78 -4.58 1.61 3.41 -1.26 -4.76 113.62 108.82 2yu8 n SER 2 Ca 0.00 1.16 -0.29 0.00 -0.26 0.00 0.00 58.87 59.48 2yu8 n SER 2 Cb 0.00 -1.21 -0.06 0.00 -0.26 0.00 0.00 64.21 62.68 2yu8 n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2yu8 s SER 3 N -0.58 5.16 0.00 4.04 1.04 -1.26 -4.68 113.70 117.42 2yu8 s SER 3 Ca 0.62 -1.74 0.00 0.00 0.48 0.00 0.00 55.95 55.31 2yu8 s SER 3 Cb -0.77 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 62.76 2yu8 s SER 3 CO 0.58 -2.94 0.00 0.61 0.98 0.00 0.00 173.24 172.47 2yu8 n GLY 4 N 5.76 2.29 2.68 7.32 0.00 -1.26 -5.00 105.19 116.98 2yu8 n GLY 4 Ca 0.45 -1.79 -0.29 0.00 0.00 0.00 0.00 46.02 44.39 2yu8 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yu8 s SER 5 N 0.00 3.53 -0.19 1.61 0.15 -1.26 -4.96 113.70 112.58 2yu8 s SER 5 Ca 0.00 -2.61 -0.20 0.00 0.70 0.00 0.00 55.95 53.84 2yu8 s SER 5 Cb 0.00 -0.95 -0.21 0.00 -1.71 0.00 0.00 66.02 63.15 2yu8 s SER 5 CO 0.00 -0.26 0.29 -1.28 1.20 0.00 0.00 173.24 173.19 2yu8 h SER 6 N 6.70 0.08 -2.23 5.45 0.87 -2.00 -3.44 113.55 118.99 2yu8 h SER 6 Ca 0.01 -0.62 -0.52 0.00 -1.23 0.00 0.00 61.79 59.43 2yu8 h SER 6 Cb 0.93 -0.03 -0.05 0.00 -0.44 0.00 0.00 62.40 62.82 2yu8 h SER 6 CO 0.46 1.52 1.26 -0.83 -0.53 0.00 0.00 176.83 178.71 2yu8 s GLY 7 N -4.91 0.47 -0.41 5.77 0.00 -1.26 -4.92 107.32 102.05 2yu8 s GLY 7 Ca -0.27 -0.71 0.02 0.00 0.00 0.00 0.00 44.72 43.75 2yu8 s GLY 7 CO 0.63 3.18 0.20 -1.59 0.00 0.00 0.00 173.10 175.52 2yu8 s THR 8 N 7.88 1.31 -0.60 0.90 2.01 -1.26 -4.94 115.64 120.94 2yu8 s THR 8 Ca 0.60 -2.30 -0.16 0.00 0.31 0.00 0.00 61.69 60.14 2yu8 s THR 8 Cb -0.12 -1.93 0.02 0.00 0.01 0.00 0.00 72.50 70.48 2yu8 s THR 8 CO 0.21 -0.84 0.64 0.61 -0.69 0.00 0.00 174.62 174.55 2yu8 n GLY 9 N 3.84 -0.85 0.16 4.40 0.00 -1.26 -4.82 105.19 106.66 2yu8 n GLY 9 Ca 0.06 0.92 0.00 0.00 0.00 0.00 0.00 46.02 47.00 2yu8 n GLY 9 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2yu8 n GLU 10 N -1.13 1.07 -3.88 1.61 0.28 -1.26 -4.76 120.64 112.57 2yu8 n GLU 10 Ca -0.07 -0.08 -0.11 0.00 -0.16 0.00 0.00 57.16 56.73 2yu8 n GLU 10 Cb 0.59 -1.14 -0.12 0.00 1.43 0.00 0.00 31.44 32.20 2yu8 n GLU 10 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2yu8 s LYS 11 N -1.75 0.20 0.43 3.44 3.01 -1.26 -5.04 119.74 118.78 2yu8 s LYS 11 Ca 0.02 -0.15 0.22 0.00 -1.01 0.00 0.00 55.97 55.04 2yu8 s LYS 11 Cb 0.01 0.08 0.96 0.00 -1.01 0.00 0.00 37.83 37.87 2yu8 s LYS 11 CO 0.01 -0.04 1.86 -1.00 0.51 0.00 0.00 175.35 176.69 2yu8 h PRO 12 N 5.43 0.00 -5.89 -1.68 0.13 -1.85 -3.41 132.00 124.72 2yu8 h PRO 12 Ca -0.27 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.24 2yu8 h PRO 12 Cb 1.20 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.21 2yu8 h PRO 12 CO 0.44 0.26 0.49 0.71 -0.23 0.00 0.00 178.00 179.67 2yu8 s TYR 13 N -3.82 2.90 -0.04 1.56 1.51 -1.26 -5.01 117.35 113.19 2yu8 s TYR 13 Ca -0.01 0.14 0.00 0.00 -1.01 0.00 0.00 57.07 56.19 2yu8 s TYR 13 Cb 0.12 -3.91 0.02 0.00 -0.11 0.00 0.00 41.96 38.08 2yu8 s TYR 13 CO 0.65 -1.16 -0.02 0.21 -1.11 0.00 0.00 175.55 174.12 2yu8 s LYS 14 N 3.65 0.56 0.02 -0.62 2.20 -1.26 -0.95 119.74 123.34 2yu8 s LYS 14 Ca 0.32 0.00 -0.30 0.00 -0.36 0.00 0.00 55.97 55.63 2yu8 s LYS 14 Cb -0.12 -0.69 -0.06 0.00 -1.51 0.00 0.00 37.83 35.45 2yu8 s LYS 14 CO 0.22 -0.13 1.51 0.00 -0.36 0.00 0.00 175.35 176.59 2yu8 n ASN 16 N 5.62 2.96 -0.12 0.00 2.85 -1.26 -2.39 115.26 122.91 2yu8 n ASN 16 Ca 0.14 -2.27 -0.26 0.00 -0.11 0.00 0.00 54.58 52.08 2yu8 n ASN 16 Cb 0.42 -0.45 -0.09 0.00 1.24 0.00 0.00 39.78 40.91 2yu8 n ASN 16 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2yu8 n GLU 17 N 0.52 0.53 -0.05 1.20 -0.58 -1.26 -4.85 120.64 116.15 2yu8 n GLU 17 Ca 0.15 0.23 -0.07 0.00 -0.42 0.00 0.00 57.16 57.04 2yu8 n GLU 17 Cb 0.57 -1.39 -0.04 0.00 -0.57 0.00 0.00 31.44 30.02 2yu8 n GLU 17 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2yu8 n GLY 19 N 2.89 1.58 4.01 0.00 0.00 -1.01 -5.09 105.19 107.56 2yu8 n GLY 19 Ca -0.17 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.65 2yu8 n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yu8 s LYS 20 N 0.00 2.44 0.05 1.61 1.02 -1.24 -4.86 119.74 118.77 2yu8 s LYS 20 Ca 0.00 -1.22 0.01 0.00 0.02 0.00 0.00 55.97 54.78 2yu8 s LYS 20 Cb 0.00 -2.60 -0.03 0.00 -0.52 0.00 0.00 37.83 34.68 2yu8 s LYS 20 CO 0.00 -0.71 -0.06 0.08 -0.92 0.00 0.00 175.35 173.74 2yu8 s VAL 21 N -2.65 0.46 0.17 3.17 1.01 -1.26 0.17 120.40 121.47 2yu8 s VAL 21 Ca 0.59 -1.39 -0.05 0.00 0.00 0.00 0.00 61.98 61.12 2yu8 s VAL 21 Cb -0.08 -0.98 -0.02 0.00 0.00 0.00 0.00 36.38 35.30 2yu8 s VAL 21 CO 0.38 -0.63 0.21 -0.36 0.00 0.00 0.00 175.10 174.70 2yu8 s PHE 22 N -2.38 0.69 -0.08 5.22 0.40 -0.12 -4.97 117.98 116.74 2yu8 s PHE 22 Ca -0.03 -1.03 -0.11 0.00 -0.60 0.00 0.00 56.93 55.17 2yu8 s PHE 22 Cb -0.03 -0.26 -0.29 0.00 0.51 0.00 0.00 43.02 42.95 2yu8 s PHE 22 CO -0.03 -0.68 0.56 0.00 0.70 0.00 0.00 175.22 175.77 2yu8 h THR 23 N 2.62 0.87 -1.80 0.64 1.03 -1.99 -3.36 112.91 110.91 2yu8 h THR 23 Ca -0.33 -2.44 -0.55 0.00 -0.01 0.00 0.00 66.41 63.08 2yu8 h THR 23 Cb 1.23 2.68 -0.08 0.00 -1.07 0.00 0.00 68.15 70.90 2yu8 h THR 23 CO 0.51 0.84 -0.53 -1.10 -0.01 0.00 0.00 175.52 175.22 2yu8 s GLN 24 N -2.55 2.30 -0.07 0.00 -1.52 -1.26 -4.86 119.66 111.70 2yu8 s GLN 24 Ca -0.19 -1.64 -0.23 0.00 -1.95 0.00 0.00 55.36 51.35 2yu8 s GLN 24 Cb 0.06 -2.11 -0.18 0.00 -0.22 0.00 0.00 33.01 30.56 2yu8 s GLN 24 CO 0.81 0.05 0.89 -0.97 -0.25 0.00 0.00 175.29 175.82 2yu8 h ASN 25 N 1.53 -0.10 -0.84 5.90 -0.73 -1.99 -3.26 115.58 116.10 2yu8 h ASN 25 Ca -0.43 -0.50 0.13 0.00 1.87 0.00 0.00 56.30 57.37 2yu8 h ASN 25 Cb 1.25 0.03 -0.14 0.00 0.27 0.00 0.00 38.32 39.73 2yu8 h ASN 25 CO 0.65 0.53 -0.38 0.28 -0.37 0.00 0.00 177.43 178.15 2yu8 h SER 26 N -0.82 -1.36 -0.80 1.15 0.02 -1.98 1.21 113.55 110.97 2yu8 h SER 26 Ca -0.01 0.28 0.20 0.00 -0.84 0.00 0.00 61.79 61.42 2yu8 h SER 26 Cb 0.59 0.70 -0.04 0.00 0.14 0.00 0.00 62.40 63.78 2yu8 h SER 26 CO 0.02 -0.29 0.55 0.45 -1.14 0.00 0.00 176.83 176.42 2yu8 h HIS 27 N -0.07 0.23 0.14 3.45 3.86 -2.00 0.16 115.15 120.92 2yu8 h HIS 27 Ca 0.30 0.01 -0.29 0.00 -1.16 0.00 0.00 60.37 59.23 2yu8 h HIS 27 Cb 0.58 -0.07 0.01 0.00 1.06 0.00 0.00 27.41 28.98 2yu8 h HIS 27 CO -0.79 0.07 -1.31 1.25 0.86 0.00 0.00 177.93 178.01 2yu8 h LEU 28 N 0.18 0.47 -0.62 2.43 5.85 0.13 -2.73 115.31 121.01 2yu8 h LEU 28 Ca 0.39 -0.52 -0.13 0.00 0.84 0.00 0.00 57.88 58.46 2yu8 h LEU 28 Cb 1.28 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 2yu8 h LEU 28 CO -0.07 1.41 -0.33 0.00 -0.34 0.00 0.00 178.44 179.11 2yu8 h ALA 29 N 0.52 0.80 0.00 1.25 0.00 0.19 -2.10 119.26 119.91 2yu8 h ALA 29 Ca -0.16 -0.42 -0.12 0.00 0.00 0.00 0.00 54.91 54.21 2yu8 h ALA 29 Cb 2.00 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.65 2yu8 h ALA 29 CO 0.21 0.65 -0.59 0.07 0.00 0.00 0.00 179.25 179.58 2yu8 h ARG 30 N 0.62 0.00 -0.01 0.00 0.11 -0.90 -3.29 114.38 110.90 2yu8 h ARG 30 Ca 0.07 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.14 2yu8 h ARG 30 Cb 0.85 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.93 2yu8 h ARG 30 CO 0.07 0.59 -0.02 1.25 0.10 0.00 0.00 179.97 181.97 2yu8 h HIS 31 N 0.00 0.03 -0.38 4.08 2.76 -1.31 -3.09 115.15 117.24 2yu8 h HIS 31 Ca -0.01 -0.01 0.11 0.00 -2.20 0.00 0.00 60.37 58.26 2yu8 h HIS 31 Cb 1.25 -0.01 -0.02 0.00 1.55 0.00 0.00 27.41 30.19 2yu8 h HIS 31 CO 0.00 0.62 0.87 0.00 -1.30 0.00 0.00 177.93 178.12 2yu8 h ARG 32 N -0.57 0.00 -0.64 5.26 3.08 -1.45 0.34 114.38 120.40 2yu8 h ARG 32 Ca -0.00 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.11 2yu8 h ARG 32 Cb 0.62 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.62 2yu8 h ARG 32 CO 0.00 0.00 0.35 0.00 -1.07 0.00 0.00 179.97 179.26 2yu8 h ARG 33 N 0.00 0.64 -0.88 0.04 3.08 -1.67 -1.10 114.38 114.50 2yu8 h ARG 33 Ca 0.18 -0.04 0.25 0.00 0.07 0.00 0.00 59.98 60.45 2yu8 h ARG 33 Cb 1.92 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 31.79 2yu8 h ARG 33 CO -0.00 0.42 0.98 -0.39 -1.07 0.00 0.00 179.97 179.91 2yu8 h VAL 34 N 0.66 0.12 0.00 2.04 -1.51 -0.51 0.27 116.25 117.32 2yu8 h VAL 34 Ca 0.29 0.00 -0.16 0.00 -1.23 0.00 0.00 66.70 65.60 2yu8 h VAL 34 Cb 0.18 0.21 -0.02 0.00 -2.13 0.00 0.00 31.29 29.53 2yu8 h VAL 34 CO -0.18 0.00 -0.87 0.45 -1.23 0.00 0.00 177.57 175.74 2yu8 h HIS 35 N 0.00 0.00 -0.76 5.19 3.86 -1.38 -3.37 115.15 118.69 2yu8 h HIS 35 Ca 0.42 0.00 -0.50 0.00 -1.16 0.00 0.00 60.37 59.12 2yu8 h HIS 35 Cb 2.37 0.00 -0.21 0.00 1.06 0.00 0.00 27.41 30.63 2yu8 h HIS 35 CO 0.00 1.30 0.65 -2.37 0.86 0.00 0.00 177.93 178.37 2yu8 n THR 36 N -4.49 3.21 -2.59 2.45 5.66 0.68 -4.58 114.28 114.62 2yu8 n THR 36 Ca -0.25 -2.33 -0.29 0.00 -3.05 0.00 0.00 64.05 58.13 2yu8 n THR 36 Cb 0.61 -1.26 -0.01 0.00 -1.55 0.00 0.00 70.33 68.12 2yu8 n THR 36 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2yu8 n GLY 37 N -0.26 5.85 1.39 1.09 0.00 0.44 -4.94 105.19 108.75 2yu8 n GLY 37 Ca 0.46 -2.74 0.19 0.00 0.00 0.00 0.00 46.02 43.93 2yu8 n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2yu8 n GLY 38 N -0.39 -1.81 3.03 -0.02 0.00 -1.26 -4.93 105.19 99.81 2yu8 n GLY 38 Ca 0.38 -1.08 -0.16 0.00 0.00 0.00 0.00 46.02 45.16 2yu8 n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yu8 s LYS 39 N -2.20 0.58 0.21 1.61 1.02 -1.26 -5.00 119.74 114.70 2yu8 s LYS 39 Ca 0.00 -0.48 -0.30 0.00 0.02 0.00 0.00 55.97 55.21 2yu8 s LYS 39 Cb 0.00 -0.50 -0.09 0.00 -0.52 0.00 0.00 37.83 36.73 2yu8 s LYS 39 CO 0.00 0.12 1.30 -1.25 -0.92 0.00 0.00 175.35 174.60 2yu8 s PRO 40 N -0.77 4.40 -0.11 -1.68 0.04 -1.26 -5.04 135.00 130.58 2yu8 s PRO 40 Ca -0.02 2.05 -0.11 0.00 0.04 0.00 0.00 61.00 62.96 2yu8 s PRO 40 Cb -0.06 -3.19 0.03 0.00 0.04 0.00 0.00 34.50 31.33 2yu8 s PRO 40 CO 0.00 -0.23 0.31 -1.12 0.04 0.00 0.00 177.00 176.01 2yu8 s SER 41 N 0.23 -0.31 0.00 6.66 0.01 -1.26 -5.15 113.70 113.88 2yu8 s SER 41 Ca 0.55 0.57 0.00 0.00 1.31 0.00 0.00 55.95 58.39 2yu8 s SER 41 Cb -0.36 0.61 0.00 0.00 0.21 0.00 0.00 66.02 66.47 2yu8 s SER 41 CO 0.39 -0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.51 2yu8 n GLY 42 N 2.76 0.84 0.26 3.44 0.00 -1.26 -5.17 105.19 106.06 2yu8 n GLY 42 Ca -0.14 -0.54 -0.02 0.00 0.00 0.00 0.00 46.02 45.32 2yu8 n GLY 42 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2yu8 n PRO 43 N 0.00 -1.18 0.29 1.61 -0.04 -1.26 -4.98 135.00 129.44 2yu8 n PRO 43 Ca 0.00 -0.13 -0.15 0.00 -0.04 0.00 0.00 63.50 63.18 2yu8 n PRO 43 Cb 0.00 -0.12 -0.08 0.00 -0.04 0.00 0.00 33.50 33.26 2yu8 n PRO 43 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2yu8 h SER 44 N -1.15 -0.62 -4.91 3.54 0.02 -2.07 -3.47 113.55 104.89 2yu8 h SER 44 Ca -0.03 -0.05 0.09 0.00 -0.84 0.00 0.00 61.79 60.96 2yu8 h SER 44 Cb 0.09 0.16 -0.12 0.00 0.14 0.00 0.00 62.40 62.67 2yu8 h SER 44 CO 0.02 -0.30 0.40 -0.55 -1.14 0.00 0.00 176.83 175.26 2yu8 s SER 45 N -4.67 -0.37 0.00 3.07 0.15 -1.26 -5.26 113.70 105.36 2yu8 s SER 45 Ca -0.15 -0.14 0.10 0.00 0.70 0.00 0.00 55.95 56.46 2yu8 s SER 45 Cb 0.02 0.49 0.08 0.00 -1.71 0.00 0.00 66.02 64.90 2yu8 s SER 45 CO 0.53 -0.83 0.82 0.61 1.20 0.00 0.00 173.24 175.57