#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yu8 s SER 2 N 0.00 -0.58 -0.25 1.61 1.04 -1.26 -5.14 113.70 109.12 2yu8 s SER 2 Ca 0.00 0.37 -0.01 0.00 0.48 0.00 0.00 55.95 56.79 2yu8 s SER 2 Cb 0.00 1.49 0.08 0.00 0.10 0.00 0.00 66.02 67.69 2yu8 s SER 2 CO 0.00 -0.11 0.04 -0.55 0.98 0.00 0.00 173.24 173.61 2yu8 s SER 3 N 2.93 3.62 0.04 7.02 0.15 -1.26 -5.12 113.70 121.08 2yu8 s SER 3 Ca 0.02 -1.27 0.03 0.00 0.70 0.00 0.00 55.95 55.42 2yu8 s SER 3 Cb -0.11 -0.85 -0.02 0.00 -1.71 0.00 0.00 66.02 63.33 2yu8 s SER 3 CO -0.12 -0.34 -0.09 -0.83 1.20 0.00 0.00 173.24 173.06 2yu8 s GLY 4 N 1.64 0.54 -0.04 9.45 0.00 -1.26 -5.14 107.32 112.51 2yu8 s GLY 4 Ca 0.03 -0.74 -0.20 0.00 0.00 0.00 0.00 44.72 43.81 2yu8 s GLY 4 CO -0.15 -0.78 0.57 -0.56 0.00 0.00 0.00 173.10 172.18 2yu8 s SER 5 N -1.43 6.90 -0.96 1.64 0.01 -1.26 -5.02 113.70 113.58 2yu8 s SER 5 Ca -0.07 1.07 -0.14 0.00 1.31 0.00 0.00 55.95 58.12 2yu8 s SER 5 Cb -0.09 -2.34 0.21 0.00 0.21 0.00 0.00 66.02 64.00 2yu8 s SER 5 CO 0.01 0.06 1.00 -0.44 0.41 0.00 0.00 173.24 174.28 2yu8 s SER 6 N 0.07 6.89 0.32 2.44 0.01 -1.26 -5.00 113.70 117.18 2yu8 s SER 6 Ca 0.30 -2.78 0.00 0.00 1.31 0.00 0.00 55.95 54.78 2yu8 s SER 6 Cb -0.17 -2.27 0.00 0.00 0.21 0.00 0.00 66.02 63.78 2yu8 s SER 6 CO 0.15 -0.64 0.00 0.61 0.41 0.00 0.00 173.24 173.77 2yu8 n GLY 7 N 4.05 -0.40 3.34 3.44 0.00 -1.26 -4.65 105.19 109.71 2yu8 n GLY 7 Ca 0.21 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 2yu8 n GLY 7 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2yu8 n THR 8 N -0.94 0.98 -3.03 2.61 5.66 -1.26 -4.92 114.28 113.39 2yu8 n THR 8 Ca 0.00 -0.50 -0.26 0.00 -3.05 0.00 0.00 64.05 60.24 2yu8 n THR 8 Cb 0.04 -0.10 -0.04 0.00 -1.55 0.00 0.00 70.33 68.68 2yu8 n THR 8 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2yu8 n GLY 9 N 2.21 5.26 3.61 1.09 0.00 -1.26 -5.01 105.19 111.09 2yu8 n GLY 9 Ca 0.12 -2.65 -0.03 0.00 0.00 0.00 0.00 46.02 43.46 2yu8 n GLY 9 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2yu8 s GLU 10 N -3.21 0.51 0.06 1.61 -1.05 -1.26 -5.18 118.70 110.19 2yu8 s GLU 10 Ca 0.47 0.99 0.02 0.00 -0.15 0.00 0.00 54.97 56.31 2yu8 s GLU 10 Cb 0.27 0.28 -0.03 0.00 -0.44 0.00 0.00 34.13 34.21 2yu8 s GLU 10 CO -0.12 -0.13 -0.08 0.15 0.95 0.00 0.00 175.26 176.03 2yu8 s LYS 11 N 1.85 0.65 0.39 -4.83 1.02 -1.26 -5.04 119.74 112.50 2yu8 s LYS 11 Ca -0.08 -0.93 0.18 0.00 0.02 0.00 0.00 55.97 55.16 2yu8 s LYS 11 Cb -0.06 -0.34 0.79 0.00 -0.52 0.00 0.00 37.83 37.70 2yu8 s LYS 11 CO -0.18 0.05 1.80 -1.00 -0.92 0.00 0.00 175.35 175.10 2yu8 h PRO 12 N 4.08 0.00 -5.60 -1.68 0.13 -1.94 -3.40 132.00 123.58 2yu8 h PRO 12 Ca -0.36 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.15 2yu8 h PRO 12 Cb 1.19 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.19 2yu8 h PRO 12 CO 0.47 0.35 0.60 0.71 -0.23 0.00 0.00 178.00 179.91 2yu8 s TYR 13 N -3.86 2.64 -0.03 1.56 2.02 -1.26 -4.99 117.35 113.43 2yu8 s TYR 13 Ca -0.01 -0.42 0.01 0.00 -0.37 0.00 0.00 57.07 56.28 2yu8 s TYR 13 Cb 0.12 -4.30 0.02 0.00 -0.40 0.00 0.00 41.96 37.40 2yu8 s TYR 13 CO 0.69 -1.66 -0.03 0.21 -1.57 0.00 0.00 175.55 173.19 2yu8 s LYS 14 N 4.24 0.55 -0.01 -0.62 2.20 -1.26 -0.16 119.74 124.68 2yu8 s LYS 14 Ca 0.25 -0.04 -0.30 0.00 -0.36 0.00 0.00 55.97 55.52 2yu8 s LYS 14 Cb -0.15 -0.62 -0.05 0.00 -1.51 0.00 0.00 37.83 35.49 2yu8 s LYS 14 CO 0.12 -0.08 1.38 0.00 -0.36 0.00 0.00 175.35 176.41 2yu8 n ASN 16 N 5.37 2.60 -0.09 0.00 2.85 -1.26 -2.72 115.26 122.01 2yu8 n ASN 16 Ca 0.13 -2.21 -0.13 0.00 -0.11 0.00 0.00 54.58 52.26 2yu8 n ASN 16 Cb 0.44 -0.41 -0.04 0.00 1.24 0.00 0.00 39.78 41.01 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 0.45 0.51 -0.12 1.20 -0.58 -1.26 -4.86 120.64 115.99 2yu8 n GLU 17 Ca 0.13 0.21 -0.21 0.00 -0.42 0.00 0.00 57.16 56.86 2yu8 n GLU 17 Cb 0.50 -1.39 -0.09 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 1.88 1.02 3.99 0.00 0.00 -1.10 -5.05 105.19 105.93 2yu8 n GLY 19 Ca -0.44 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.40 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 2.92 0.05 1.61 1.02 -1.24 -4.88 119.74 119.23 2yu8 s LYS 20 Ca 0.00 -1.17 0.02 0.00 0.02 0.00 0.00 55.97 54.84 2yu8 s LYS 20 Cb 0.00 -2.76 -0.03 0.00 -0.52 0.00 0.00 37.83 34.53 2yu8 s LYS 20 CO 0.00 -0.13 -0.08 0.08 -0.92 0.00 0.00 175.35 174.30 2yu8 s VAL 21 N -2.29 0.60 0.09 3.17 1.01 -1.26 0.42 120.40 122.15 2yu8 s VAL 21 Ca 0.50 -1.25 -0.02 0.00 0.00 0.00 0.00 61.98 61.22 2yu8 s VAL 21 Cb -0.09 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 2yu8 s VAL 21 CO 0.32 -0.46 0.04 -0.36 0.00 0.00 0.00 175.10 174.64 2yu8 s PHE 22 N -1.77 0.63 -0.05 5.22 0.40 0.77 -4.98 117.98 118.20 2yu8 s PHE 22 Ca -0.06 -1.08 0.13 0.00 -0.60 0.00 0.00 56.93 55.32 2yu8 s PHE 22 Cb -0.07 -0.38 -0.11 0.00 0.51 0.00 0.00 43.02 42.96 2yu8 s PHE 22 CO -0.00 -0.47 1.12 0.00 0.70 0.00 0.00 175.22 176.57 2yu8 h THR 23 N 2.96 1.02 -3.73 0.64 1.03 -2.00 -3.35 112.91 109.49 2yu8 h THR 23 Ca -0.34 -2.60 -0.45 0.00 -0.01 0.00 0.00 66.41 63.01 2yu8 h THR 23 Cb 1.17 2.45 -0.20 0.00 -1.07 0.00 0.00 68.15 70.51 2yu8 h THR 23 CO 0.61 0.58 -0.78 -1.10 -0.01 0.00 0.00 175.52 174.83 2yu8 s GLN 24 N -2.82 1.00 0.19 0.00 -0.21 -1.26 -4.91 119.66 111.65 2yu8 s GLN 24 Ca 0.00 -1.15 -0.11 0.00 0.02 0.00 0.00 55.36 54.11 2yu8 s GLN 24 Cb 0.09 -0.99 0.11 0.00 1.00 0.00 0.00 33.01 33.22 2yu8 s GLN 24 CO 0.80 0.21 1.81 -2.95 -2.12 0.00 0.00 175.29 173.04 2yu8 h ASN 25 N 3.82 0.83 -0.29 5.90 7.08 -1.97 -3.12 115.58 127.83 2yu8 h ASN 25 Ca -0.41 -0.08 0.04 0.00 -3.08 0.00 0.00 56.30 52.76 2yu8 h ASN 25 Cb 1.19 -0.21 -0.06 0.00 -2.08 0.00 0.00 38.32 37.16 2yu8 h ASN 25 CO 0.46 0.67 -0.41 0.28 -2.08 0.00 0.00 177.43 176.35 2yu8 h SER 26 N 0.91 -1.37 -1.01 6.14 0.02 -1.99 0.31 113.55 116.57 2yu8 h SER 26 Ca 0.24 0.18 0.27 0.00 -0.84 0.00 0.00 61.79 61.64 2yu8 h SER 26 Cb 0.02 0.56 -0.13 0.00 0.14 0.00 0.00 62.40 62.99 2yu8 h SER 26 CO -0.04 -0.30 0.59 0.45 -1.14 0.00 0.00 176.83 176.39 2yu8 h HIS 27 N -0.30 0.98 -0.11 3.45 3.86 -1.97 0.20 115.15 121.26 2yu8 h HIS 27 Ca 0.05 0.04 -0.02 0.00 -1.16 0.00 0.00 60.37 59.27 2yu8 h HIS 27 Cb 0.44 -0.27 -0.00 0.00 1.06 0.00 0.00 27.41 28.64 2yu8 h HIS 27 CO -0.69 -0.02 -0.02 1.25 0.86 0.00 0.00 177.93 179.31 2yu8 h LEU 28 N 0.49 0.21 0.09 2.43 5.85 -0.77 -1.80 115.31 121.81 2yu8 h LEU 28 Ca 0.68 -0.35 -0.00 0.00 0.84 0.00 0.00 57.88 59.04 2yu8 h LEU 28 Cb 1.39 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.37 2yu8 h LEU 28 CO -0.52 0.51 -0.04 0.00 -0.34 0.00 0.00 178.44 178.05 2yu8 h ALA 29 N 0.71 -0.12 0.00 1.25 0.00 0.19 0.13 119.26 121.40 2yu8 h ALA 29 Ca 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2yu8 h ALA 29 Cb 0.42 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2yu8 h ALA 29 CO 0.01 -0.56 0.00 0.07 0.00 0.00 0.00 179.25 178.77 2yu8 h ARG 30 N -0.14 0.00 0.00 0.00 0.11 -0.76 -2.88 114.38 110.71 2yu8 h ARG 30 Ca -0.01 0.00 -0.16 0.00 0.10 0.00 0.00 59.98 59.91 2yu8 h ARG 30 Cb 0.11 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.16 2yu8 h ARG 30 CO 0.02 0.00 -0.90 1.25 0.10 0.00 0.00 179.97 180.44 2yu8 h HIS 31 N 0.00 0.00 -1.30 4.08 2.76 -0.39 -3.36 115.15 116.94 2yu8 h HIS 31 Ca 0.00 0.00 0.38 0.00 -2.20 0.00 0.00 60.37 58.55 2yu8 h HIS 31 Cb 0.16 0.00 -0.08 0.00 1.55 0.00 0.00 27.41 29.04 2yu8 h HIS 31 CO 0.00 1.25 0.89 0.00 -1.30 0.00 0.00 177.93 178.77 2yu8 h ARG 32 N -1.00 0.12 -1.12 5.26 3.08 -0.57 0.31 114.38 120.46 2yu8 h ARG 32 Ca -0.24 -0.01 0.32 0.00 0.07 0.00 0.00 59.98 60.12 2yu8 h ARG 32 Cb 1.15 -0.03 -0.11 0.00 0.08 0.00 0.00 29.97 31.07 2yu8 h ARG 32 CO -0.15 0.08 0.72 0.07 -1.07 0.00 0.00 179.97 179.62 2yu8 h ARG 33 N 0.12 0.29 -1.01 0.04 -0.00 -1.69 0.31 114.38 112.44 2yu8 h ARG 33 Ca 0.69 -0.02 0.22 0.00 -0.00 0.00 0.00 59.98 60.88 2yu8 h ARG 33 Cb 2.38 -0.07 -0.11 0.00 -0.00 0.00 0.00 29.97 32.18 2yu8 h ARG 33 CO -0.18 0.19 0.61 -0.39 -0.00 0.00 0.00 179.97 180.20 2yu8 h VAL 34 N 0.30 0.61 -0.07 0.08 -1.51 -0.62 0.65 116.25 115.69 2yu8 h VAL 34 Ca 0.66 -0.22 -0.19 0.00 -1.23 0.00 0.00 66.70 65.72 2yu8 h VAL 34 Cb 1.82 -0.08 0.01 0.00 -2.13 0.00 0.00 31.29 30.92 2yu8 h VAL 34 CO -0.34 0.12 -0.72 0.45 -1.23 0.00 0.00 177.57 175.85 2yu8 h HIS 35 N 0.63 0.85 -0.75 5.19 3.86 -0.57 -3.24 115.15 121.12 2yu8 h HIS 35 Ca 0.61 -0.42 -0.50 0.00 -1.16 0.00 0.00 60.37 58.91 2yu8 h HIS 35 Cb 1.12 -0.12 -0.22 0.00 1.06 0.00 0.00 27.41 29.26 2yu8 h HIS 35 CO -0.00 1.23 0.64 0.25 0.86 0.00 0.00 177.93 180.91 2yu8 n THR 36 N -4.07 3.17 -3.53 2.45 -2.24 -0.12 -4.19 114.28 105.75 2yu8 n THR 36 Ca -0.09 -2.23 -0.33 0.00 -2.27 0.00 0.00 64.05 59.13 2yu8 n THR 36 Cb 0.72 -1.18 -0.07 0.00 -2.10 0.00 0.00 70.33 67.70 2yu8 n THR 36 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2yu8 n GLY 37 N -0.36 4.47 1.22 3.38 0.00 0.03 -4.94 105.19 109.00 2yu8 n GLY 37 Ca 0.47 -2.66 0.00 0.00 0.00 0.00 0.00 46.02 43.83 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 1.66 1.57 3.22 -0.02 0.00 -1.26 -4.90 105.19 105.46 2yu8 n GLY 38 Ca 0.25 -0.51 -0.27 0.00 0.00 0.00 0.00 46.02 45.48 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 0.00 1.68 0.73 1.61 -0.14 -1.26 -5.14 119.74 117.22 2yu8 s LYS 39 Ca 0.00 -0.76 -0.12 0.00 -1.36 0.00 0.00 55.97 53.73 2yu8 s LYS 39 Cb 0.00 -1.63 0.04 0.00 -1.68 0.00 0.00 37.83 34.55 2yu8 s LYS 39 CO 0.00 0.45 1.10 -1.25 -0.76 0.00 0.00 175.35 174.88 2yu8 s PRO 40 N -0.53 2.46 -0.22 -1.68 0.04 -1.26 -4.88 135.00 128.94 2yu8 s PRO 40 Ca 0.08 1.25 -0.05 0.00 0.04 0.00 0.00 61.00 62.33 2yu8 s PRO 40 Cb -0.08 -1.92 0.11 0.00 0.04 0.00 0.00 34.50 32.65 2yu8 s PRO 40 CO -0.01 -1.50 0.39 0.45 0.04 0.00 0.00 177.00 176.38 2yu8 s SER 41 N -3.09 -0.00 -0.41 6.66 0.15 -1.26 -5.07 113.70 110.68 2yu8 s SER 41 Ca 0.63 0.60 0.09 0.00 0.70 0.00 0.00 55.95 57.97 2yu8 s SER 41 Cb -0.18 1.21 0.28 0.00 -1.71 0.00 0.00 66.02 65.63 2yu8 s SER 41 CO 0.51 -0.27 0.72 0.61 1.20 0.00 0.00 173.24 176.01 2yu8 n GLY 42 N 5.38 2.30 0.00 9.45 0.00 -1.26 -4.94 105.19 116.11 2yu8 n GLY 42 Ca -0.06 -1.11 0.08 0.00 0.00 0.00 0.00 46.02 44.93 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 1.01 0.46 -3.55 1.61 -0.04 -1.26 -4.75 135.00 128.48 2yu8 n PRO 43 Ca 0.18 0.01 -0.19 0.00 -0.04 0.00 0.00 63.50 63.46 2yu8 n PRO 43 Cb 0.60 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.56 2yu8 n PRO 43 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2yu8 s SER 44 N -2.05 6.02 0.14 3.54 1.04 -1.26 -5.03 113.70 116.10 2yu8 s SER 44 Ca 0.23 -0.15 -0.29 0.00 0.48 0.00 0.00 55.95 56.21 2yu8 s SER 44 Cb 0.11 -1.33 -0.05 0.00 0.10 0.00 0.00 66.02 64.85 2yu8 s SER 44 CO 0.19 -0.37 1.57 -1.28 0.98 0.00 0.00 173.24 174.32 2yu8 h SER 45 N 0.94 -1.46 0.00 7.02 0.87 -2.01 -3.54 113.55 115.36 2yu8 h SER 45 Ca -0.47 0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.29 2yu8 h SER 45 Cb 1.25 0.61 0.00 0.00 -0.44 0.00 0.00 62.40 63.82 2yu8 h SER 45 CO 0.54 -0.42 0.00 0.61 -0.53 0.00 0.00 176.83 177.03