#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 1.08 -4.90 1.61 2.88 -1.26 -4.90 113.62 108.13 2yu8 n SER 2 Ca 0.00 0.49 -0.31 0.00 -1.33 0.00 0.00 58.87 57.72 2yu8 n SER 2 Cb 0.00 -1.02 -0.05 0.00 -0.75 0.00 0.00 64.21 62.40 2yu8 n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2yu8 s SER 3 N 7.04 6.46 -1.21 -3.46 1.04 -1.26 -5.03 113.70 117.28 2yu8 s SER 3 Ca 1.19 0.52 -0.13 0.00 0.48 0.00 0.00 55.95 58.02 2yu8 s SER 3 Cb -1.25 -2.06 0.18 0.00 0.10 0.00 0.00 66.02 62.99 2yu8 s SER 3 CO 0.58 0.07 1.47 0.61 0.98 0.00 0.00 173.24 176.95 2yu8 n GLY 4 N 0.11 3.66 3.60 7.32 0.00 -1.26 -4.99 105.19 113.64 2yu8 n GLY 4 Ca -0.03 -2.08 -0.60 0.00 0.00 0.00 0.00 46.02 43.31 2yu8 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2yu8 n SER 5 N 5.10 1.75 -4.94 1.61 7.64 -1.26 -4.92 113.62 118.60 2yu8 n SER 5 Ca 0.36 0.94 -0.25 0.00 1.01 0.00 0.00 58.87 60.93 2yu8 n SER 5 Cb 0.41 -1.05 0.05 0.00 -1.01 0.00 0.00 64.21 62.61 2yu8 n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2yu8 s SER 6 N 4.38 5.23 0.00 6.43 0.01 -1.26 -4.58 113.70 123.91 2yu8 s SER 6 Ca 1.06 0.43 0.00 0.00 1.31 0.00 0.00 55.95 58.75 2yu8 s SER 6 Cb -1.23 -1.29 0.00 0.00 0.21 0.00 0.00 66.02 63.71 2yu8 s SER 6 CO 0.68 -1.27 0.00 0.61 0.41 0.00 0.00 173.24 173.67 2yu8 n GLY 7 N -2.63 0.92 2.79 3.44 0.00 -1.26 -5.04 105.19 103.41 2yu8 n GLY 7 Ca 0.06 -0.59 -0.29 0.00 0.00 0.00 0.00 46.02 45.20 2yu8 n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2yu8 s THR 8 N -2.89 2.09 0.00 2.61 2.01 -1.26 -4.98 115.64 113.22 2yu8 s THR 8 Ca 0.00 -3.41 0.00 0.00 0.31 0.00 0.00 61.69 58.59 2yu8 s THR 8 Cb 0.00 -2.41 0.00 0.00 0.01 0.00 0.00 72.50 70.10 2yu8 s THR 8 CO 0.00 -0.97 0.00 0.61 -0.69 0.00 0.00 174.62 173.57 2yu8 n GLY 9 N 2.73 0.74 0.13 4.40 0.00 -1.26 -5.03 105.19 106.90 2yu8 n GLY 9 Ca 0.15 -1.00 0.08 0.00 0.00 0.00 0.00 46.02 45.26 2yu8 n GLY 9 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2yu8 n GLU 10 N 2.86 1.14 -3.92 1.61 1.02 -1.26 -5.03 120.64 117.06 2yu8 n GLU 10 Ca 0.00 -2.30 -0.10 0.00 -0.02 0.00 0.00 57.16 54.74 2yu8 n GLU 10 Cb 0.00 -1.33 -0.10 0.00 -0.02 0.00 0.00 31.44 29.99 2yu8 n GLU 10 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2yu8 s LYS 11 N -2.38 0.40 0.26 3.49 -0.14 -1.26 -5.03 119.74 115.08 2yu8 s LYS 11 Ca 0.26 -0.50 0.23 0.00 -1.36 0.00 0.00 55.97 54.60 2yu8 s LYS 11 Cb 0.23 0.16 0.98 0.00 -1.68 0.00 0.00 37.83 37.52 2yu8 s LYS 11 CO 0.02 -0.08 1.71 -0.35 -0.76 0.00 0.00 175.35 175.89 2yu8 n PRO 12 N 1.53 0.19 -3.18 -1.68 -0.04 -1.26 -4.53 135.00 126.03 2yu8 n PRO 12 Ca -0.23 0.43 -0.43 0.00 -0.04 0.00 0.00 63.50 63.22 2yu8 n PRO 12 Cb 0.55 -1.87 -0.07 0.00 -0.04 0.00 0.00 33.50 32.07 2yu8 n PRO 12 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2yu8 s TYR 13 N -3.32 3.08 -0.02 0.54 2.02 -1.26 -5.03 117.35 113.36 2yu8 s TYR 13 Ca 0.04 -0.36 0.00 0.00 -0.37 0.00 0.00 57.07 56.38 2yu8 s TYR 13 Cb 0.09 -3.35 0.03 0.00 -0.40 0.00 0.00 41.96 38.33 2yu8 s TYR 13 CO 0.39 -0.92 0.01 0.21 -1.57 0.00 0.00 175.55 173.67 2yu8 s LYS 14 N 2.59 0.15 0.01 -0.62 2.20 -1.26 -0.60 119.74 122.21 2yu8 s LYS 14 Ca 0.17 0.12 -0.30 0.00 -0.36 0.00 0.00 55.97 55.59 2yu8 s LYS 14 Cb -0.17 -0.36 -0.06 0.00 -1.51 0.00 0.00 37.83 35.72 2yu8 s LYS 14 CO 0.14 -0.14 1.50 0.00 -0.36 0.00 0.00 175.35 176.49 2yu8 n ASN 16 N 5.64 2.59 -0.13 0.00 3.02 -1.26 -2.43 115.26 122.68 2yu8 n ASN 16 Ca 0.14 -2.24 -0.27 0.00 -0.03 0.00 0.00 54.58 52.19 2yu8 n ASN 16 Cb 0.43 -0.43 -0.09 0.00 -0.61 0.00 0.00 39.78 39.08 2yu8 n ASN 16 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2yu8 n GLU 17 N 0.37 0.56 -0.06 3.52 -0.58 -1.26 -4.85 120.64 118.34 2yu8 n GLU 17 Ca 0.12 0.25 -0.11 0.00 -0.42 0.00 0.00 57.16 57.00 2yu8 n GLU 17 Cb 0.51 -1.45 -0.05 0.00 -0.57 0.00 0.00 31.44 29.88 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 2.62 0.91 3.85 0.00 0.00 -1.02 -5.10 105.19 106.44 2yu8 n GLY 19 Ca -0.23 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.58 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 2.68 0.10 1.61 1.02 -1.24 -4.89 119.74 119.02 2yu8 s LYS 20 Ca 0.00 -1.34 0.07 0.00 0.02 0.00 0.00 55.97 54.72 2yu8 s LYS 20 Cb 0.00 -2.45 -0.03 0.00 -0.52 0.00 0.00 37.83 34.83 2yu8 s LYS 20 CO 0.00 0.06 -0.17 0.08 -0.92 0.00 0.00 175.35 174.40 2yu8 s VAL 21 N -2.33 1.47 0.07 3.17 1.01 -1.26 0.47 120.40 122.99 2yu8 s VAL 21 Ca 0.41 -1.53 0.02 0.00 0.00 0.00 0.00 61.98 60.88 2yu8 s VAL 21 Cb -0.05 -1.42 -0.03 0.00 0.00 0.00 0.00 36.38 34.87 2yu8 s VAL 21 CO 0.26 -0.20 -0.07 -0.36 0.00 0.00 0.00 175.10 174.74 2yu8 s PHE 22 N -1.44 0.77 0.07 5.22 0.40 0.23 -4.98 117.98 118.25 2yu8 s PHE 22 Ca 0.05 -0.68 0.12 0.00 -0.60 0.00 0.00 56.93 55.82 2yu8 s PHE 22 Cb -0.09 -0.45 0.08 0.00 0.51 0.00 0.00 43.02 43.07 2yu8 s PHE 22 CO 0.04 -0.11 1.44 0.00 0.70 0.00 0.00 175.22 177.29 2yu8 h THR 23 N 3.84 1.30 -1.53 0.64 1.03 -1.98 -3.37 112.91 112.84 2yu8 h THR 23 Ca -0.36 -2.60 -0.61 0.00 -0.01 0.00 0.00 66.41 62.83 2yu8 h THR 23 Cb 1.19 2.49 -0.13 0.00 -1.07 0.00 0.00 68.15 70.62 2yu8 h THR 23 CO 0.51 0.69 -0.54 -1.10 -0.01 0.00 0.00 175.52 175.07 2yu8 s GLN 24 N -3.05 2.01 -0.12 0.00 -0.21 -1.26 -4.96 119.66 112.08 2yu8 s GLN 24 Ca 0.01 -2.23 -0.12 0.00 0.02 0.00 0.00 55.36 53.05 2yu8 s GLN 24 Cb 0.10 -1.22 -0.26 0.00 1.00 0.00 0.00 33.01 32.63 2yu8 s GLN 24 CO 0.77 -0.31 0.43 -2.95 -2.12 0.00 0.00 175.29 171.11 2yu8 h ASN 25 N 1.64 0.38 -0.91 5.90 -1.07 -1.98 -3.33 115.58 116.22 2yu8 h ASN 25 Ca -0.41 -0.87 0.15 0.00 0.07 0.00 0.00 56.30 55.24 2yu8 h ASN 25 Cb 1.28 -0.12 -0.07 0.00 -2.07 0.00 0.00 38.32 37.33 2yu8 h ASN 25 CO 0.70 1.74 0.58 0.77 0.07 0.00 0.00 177.43 181.30 2yu8 h SER 26 N -0.17 0.66 0.22 6.14 4.64 -1.98 0.20 113.55 123.27 2yu8 h SER 26 Ca -0.37 0.04 -0.09 0.00 -0.47 0.00 0.00 61.79 60.90 2yu8 h SER 26 Cb 1.88 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 63.87 2yu8 h SER 26 CO 0.05 0.33 -0.36 0.45 -0.87 0.00 0.00 176.83 176.43 2yu8 h HIS 27 N 0.70 0.23 0.06 4.77 3.86 -1.99 -1.52 115.15 121.26 2yu8 h HIS 27 Ca 0.46 -0.05 -0.15 0.00 -1.16 0.00 0.00 60.37 59.47 2yu8 h HIS 27 Cb 0.75 -0.05 0.02 0.00 1.06 0.00 0.00 27.41 29.18 2yu8 h HIS 27 CO -0.00 0.54 -0.63 1.25 0.86 0.00 0.00 177.93 179.95 2yu8 h LEU 28 N 0.17 0.44 -1.04 2.43 5.85 -0.85 -1.32 115.31 121.00 2yu8 h LEU 28 Ca 0.02 -0.86 -0.03 0.00 0.84 0.00 0.00 57.88 57.85 2yu8 h LEU 28 Cb 0.72 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.58 2yu8 h LEU 28 CO 0.05 1.26 0.32 0.00 -0.34 0.00 0.00 178.44 179.74 2yu8 h ALA 29 N 0.19 1.25 0.07 1.25 0.00 -0.77 -2.06 119.26 119.18 2yu8 h ALA 29 Ca -0.10 -0.15 -0.27 0.00 0.00 0.00 0.00 54.91 54.39 2yu8 h ALA 29 Cb 1.41 -0.28 0.02 0.00 0.00 0.00 0.00 17.79 18.94 2yu8 h ALA 29 CO 0.12 0.57 -1.13 0.07 0.00 0.00 0.00 179.25 178.88 2yu8 h ARG 30 N 1.00 0.53 -0.56 0.00 0.11 -1.36 -3.30 114.38 110.80 2yu8 h ARG 30 Ca 0.24 -0.66 0.03 0.00 0.10 0.00 0.00 59.98 59.70 2yu8 h ARG 30 Cb 0.12 0.21 -0.04 0.00 1.11 0.00 0.00 29.97 31.37 2yu8 h ARG 30 CO -0.03 1.27 0.32 1.25 0.10 0.00 0.00 179.97 182.88 2yu8 h HIS 31 N 0.25 0.60 -1.43 4.08 2.76 -0.97 -1.97 115.15 118.48 2yu8 h HIS 31 Ca -0.14 0.02 0.46 0.00 -2.20 0.00 0.00 60.37 58.51 2yu8 h HIS 31 Cb 1.79 -0.19 -0.12 0.00 1.55 0.00 0.00 27.41 30.44 2yu8 h HIS 31 CO 0.09 0.33 0.94 0.00 -1.30 0.00 0.00 177.93 177.99 2yu8 h ARG 32 N 0.63 0.05 -0.77 5.26 3.08 -1.45 0.59 114.38 121.77 2yu8 h ARG 32 Ca 0.23 -0.00 0.16 0.00 0.07 0.00 0.00 59.98 60.44 2yu8 h ARG 32 Cb 0.07 -0.01 -0.10 0.00 0.08 0.00 0.00 29.97 30.00 2yu8 h ARG 32 CO -0.12 0.04 0.29 0.00 -1.07 0.00 0.00 179.97 179.10 2yu8 h ARG 33 N 0.05 0.39 -1.01 0.04 3.08 -1.53 0.17 114.38 115.58 2yu8 h ARG 33 Ca 0.84 -0.02 0.29 0.00 0.07 0.00 0.00 59.98 61.16 2yu8 h ARG 33 Cb 2.79 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 32.72 2yu8 h ARG 33 CO -0.36 0.26 1.02 -0.39 -1.07 0.00 0.00 179.97 179.43 2yu8 h VAL 34 N 0.40 0.12 0.00 2.04 -1.51 0.07 0.28 116.25 117.64 2yu8 h VAL 34 Ca 0.44 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.91 2yu8 h VAL 34 Cb 0.71 0.20 0.00 0.00 -2.13 0.00 0.00 31.29 30.07 2yu8 h VAL 34 CO -0.45 0.00 0.00 1.41 -1.23 0.00 0.00 177.57 177.30 2yu8 n HIS 35 N -3.52 0.00 -0.32 5.19 8.25 0.58 -3.87 115.22 121.53 2yu8 n HIS 35 Ca 0.22 0.00 0.20 0.00 -0.26 0.00 0.00 57.72 57.89 2yu8 n HIS 35 Cb 1.34 -0.21 0.41 0.00 1.12 0.00 0.00 29.99 32.65 2yu8 n HIS 35 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2yu8 h THR 36 N 0.00 0.21 -3.40 1.59 1.03 -1.42 -3.32 112.91 107.60 2yu8 h THR 36 Ca 0.00 -0.06 -0.56 0.00 -0.01 0.00 0.00 66.41 65.77 2yu8 h THR 36 Cb 0.00 0.01 -0.39 0.00 -1.07 0.00 0.00 68.15 66.70 2yu8 h THR 36 CO 0.00 0.03 -0.77 -0.83 -0.01 0.00 0.00 175.52 173.94 2yu8 s GLY 37 N -4.18 1.00 -0.22 2.99 0.00 0.93 -5.10 107.32 102.73 2yu8 s GLY 37 Ca -0.11 -1.11 -0.29 0.00 0.00 0.00 0.00 44.72 43.21 2yu8 s GLY 37 CO 0.78 1.26 1.15 -0.32 0.00 0.00 0.00 173.10 175.97 2yu8 s GLY 38 N 1.64 -0.11 -0.65 0.20 0.00 -1.25 -4.05 107.32 103.10 2yu8 s GLY 38 Ca -0.01 2.42 0.05 0.00 0.00 0.00 0.00 44.72 47.18 2yu8 s GLY 38 CO -0.10 1.14 0.46 1.25 0.00 0.00 0.00 173.10 175.86 2yu8 s LYS 39 N -0.95 2.21 1.23 2.90 2.20 -1.26 -5.04 119.74 121.03 2yu8 s LYS 39 Ca 0.03 -3.13 -0.20 0.00 -0.36 0.00 0.00 55.97 52.31 2yu8 s LYS 39 Cb -0.01 -3.12 0.30 0.00 -1.51 0.00 0.00 37.83 33.49 2yu8 s LYS 39 CO -0.03 -1.29 1.11 -1.25 -0.36 0.00 0.00 175.35 173.53 2yu8 s PRO 40 N -1.17 -1.47 0.37 4.03 0.04 -1.26 -4.93 135.00 130.60 2yu8 s PRO 40 Ca 0.26 -0.15 -0.24 0.00 0.04 0.00 0.00 61.00 60.90 2yu8 s PRO 40 Cb -0.04 -1.57 -0.13 0.00 0.04 0.00 0.00 34.50 32.79 2yu8 s PRO 40 CO -0.16 -3.86 0.71 0.45 0.04 0.00 0.00 177.00 174.17 2yu8 n SER 41 N -4.85 -0.16 -0.02 6.66 2.88 -1.26 -4.92 113.62 111.95 2yu8 n SER 41 Ca 0.14 1.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.69 2yu8 n SER 41 Cb 0.60 -1.17 0.00 0.00 -0.75 0.00 0.00 64.21 62.89 2yu8 n SER 41 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yu8 n GLY 42 N 1.60 0.81 3.62 0.46 0.00 -1.26 -5.17 105.19 105.26 2yu8 n GLY 42 Ca 0.11 -0.60 -0.29 0.00 0.00 0.00 0.00 46.02 45.24 2yu8 n GLY 42 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yu8 s PRO 43 N 0.94 -0.58 0.02 1.61 0.04 -1.26 -5.00 135.00 130.77 2yu8 s PRO 43 Ca 0.00 0.17 -0.26 0.00 0.04 0.00 0.00 61.00 60.95 2yu8 s PRO 43 Cb 0.00 -1.65 -0.05 0.00 0.04 0.00 0.00 34.50 32.84 2yu8 s PRO 43 CO 0.00 -3.33 0.81 -1.12 0.04 0.00 0.00 177.00 173.40 2yu8 s SER 44 N -3.70 7.23 0.30 6.66 0.01 -1.26 -5.05 113.70 117.88 2yu8 s SER 44 Ca 0.69 1.47 0.05 0.00 1.31 0.00 0.00 55.95 59.47 2yu8 s SER 44 Cb -0.14 -2.49 -0.03 0.00 0.21 0.00 0.00 66.02 63.57 2yu8 s SER 44 CO 0.57 -0.07 0.24 -0.44 0.41 0.00 0.00 173.24 173.95 2yu8 s SER 45 N 0.29 1.28 0.00 2.44 0.01 -1.26 -5.34 113.70 111.12 2yu8 s SER 45 Ca 0.42 -1.66 0.00 0.00 1.31 0.00 0.00 55.95 56.01 2yu8 s SER 45 Cb -0.20 0.51 0.00 0.00 0.21 0.00 0.00 66.02 66.54 2yu8 s SER 45 CO 0.24 -1.00 0.00 0.61 0.41 0.00 0.00 173.24 173.49