#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yth n SER 2 N 0.00 -2.53 -4.66 1.61 2.88 -1.26 -4.81 113.62 104.86 2yth n SER 2 Ca 0.00 0.78 -0.43 0.00 -1.33 0.00 0.00 58.87 57.89 2yth n SER 2 Cb 0.00 -0.95 -0.02 0.00 -0.75 0.00 0.00 64.21 62.49 2yth n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2yth s SER 3 N -1.01 6.80 -0.26 -3.46 1.04 -1.26 -4.98 113.70 110.57 2yth s SER 3 Ca 0.60 1.87 -0.02 0.00 0.48 0.00 0.00 55.95 58.88 2yth s SER 3 Cb -0.57 -2.54 0.11 0.00 0.10 0.00 0.00 66.02 63.13 2yth s SER 3 CO 0.62 -0.87 0.24 -0.83 0.98 0.00 0.00 173.24 173.38 2yth s GLY 4 N 2.66 0.03 -0.25 7.32 0.00 -1.26 -5.12 107.32 110.70 2yth s GLY 4 Ca 0.63 -0.27 -0.17 0.00 0.00 0.00 0.00 44.72 44.91 2yth s GLY 4 CO 0.21 2.36 0.47 -0.56 0.00 0.00 0.00 173.10 175.59 2yth s SER 5 N 2.30 6.40 -0.51 1.64 0.01 -1.26 -4.96 113.70 117.31 2yth s SER 5 Ca 0.08 0.47 0.02 0.00 1.31 0.00 0.00 55.95 57.84 2yth s SER 5 Cb -0.15 -2.26 0.44 0.00 0.21 0.00 0.00 66.02 64.26 2yth s SER 5 CO -0.27 -0.23 1.59 -1.20 0.41 0.00 0.00 173.24 173.54 2yth n SER 6 N 5.34 6.23 0.00 2.44 7.64 -1.26 -4.71 113.62 129.31 2yth n SER 6 Ca -0.06 -3.77 0.00 0.00 1.01 0.00 0.00 58.87 56.05 2yth n SER 6 Cb 0.50 -0.67 0.00 0.00 -1.01 0.00 0.00 64.21 63.03 2yth n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yth n GLY 7 N -0.75 0.35 2.30 0.23 0.00 -1.26 -4.95 105.19 101.11 2yth n GLY 7 Ca 0.52 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.25 2yth n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2yth n SER 8 N 0.00 5.76 0.00 1.61 7.64 -1.26 -5.06 113.62 122.31 2yth n SER 8 Ca 0.00 -3.76 0.00 0.00 1.01 0.00 0.00 58.87 56.12 2yth n SER 8 Cb 0.00 -0.58 0.00 0.00 -1.01 0.00 0.00 64.21 62.62 2yth n SER 8 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yth n GLY 9 N -0.68 3.38 3.31 0.23 0.00 -1.26 -4.70 105.19 105.47 2yth n GLY 9 Ca 0.48 0.16 -0.16 0.00 0.00 0.00 0.00 46.02 46.50 2yth n GLY 9 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2yth s GLU 10 N 0.00 1.31 0.29 1.61 2.02 -1.26 -5.03 118.70 117.64 2yth s GLU 10 Ca 0.00 -1.68 -0.29 0.00 0.02 0.00 0.00 54.97 53.02 2yth s GLU 10 Cb 0.00 -0.43 -0.13 0.00 0.10 0.00 0.00 34.13 33.67 2yth s GLU 10 CO 0.00 -0.17 1.20 1.63 0.02 0.00 0.00 175.26 177.94 2yth n LYS 11 N -0.40 1.75 -0.03 1.61 4.76 -1.26 -4.92 118.16 119.67 2yth n LYS 11 Ca -0.04 0.62 -0.13 0.00 -2.87 0.00 0.00 58.31 55.89 2yth n LYS 11 Cb 0.65 -2.13 -0.08 0.00 -1.84 0.00 0.00 35.03 31.62 2yth n LYS 11 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 2yth h PRO 12 N 2.72 0.18 -6.23 1.97 0.13 -1.90 -3.41 132.00 125.47 2yth h PRO 12 Ca -0.43 -0.09 -0.53 0.00 -0.87 0.00 0.00 66.00 64.08 2yth h PRO 12 Cb 1.31 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.37 2yth h PRO 12 CO 0.65 0.61 1.16 -0.06 -0.23 0.00 0.00 178.00 180.13 2yth s PHE 13 N -4.29 2.13 -0.02 1.56 0.08 -1.26 -4.97 117.98 111.21 2yth s PHE 13 Ca -0.15 0.12 0.07 0.00 0.12 0.00 0.00 56.93 57.09 2yth s PHE 13 Cb 0.03 -4.48 -0.02 0.00 -0.57 0.00 0.00 43.02 37.98 2yth s PHE 13 CO 0.71 -2.12 -0.22 -0.65 -0.10 0.00 0.00 175.22 172.84 2yth s GLN 14 N 6.04 1.80 1.14 0.44 -0.21 -1.26 -2.33 119.66 125.30 2yth s GLN 14 Ca 0.45 -0.80 -0.18 0.00 0.02 0.00 0.00 55.36 54.85 2yth s GLN 14 Cb -0.08 -1.75 0.15 0.00 1.00 0.00 0.00 33.01 32.33 2yth s GLN 14 CO 0.14 0.48 0.20 0.00 -2.12 0.00 0.00 175.29 173.99 2yth n GLU 16 N -2.64 0.65 -0.03 0.00 -0.58 -1.26 -3.33 120.64 113.45 2yth n GLU 16 Ca 0.02 -0.04 0.02 0.00 -0.42 0.00 0.00 57.16 56.74 2yth n GLU 16 Cb 0.59 -1.12 -0.15 0.00 -0.57 0.00 0.00 31.44 30.19 2yth n GLU 16 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2yth n GLU 17 N -1.76 0.66 0.00 3.49 -0.58 -1.26 -4.50 120.64 116.69 2yth n GLU 17 Ca -0.02 -0.06 0.00 0.00 -0.42 0.00 0.00 57.16 56.66 2yth n GLU 17 Cb 0.22 -1.57 0.00 0.00 -0.57 0.00 0.00 31.44 29.52 2yth n GLU 17 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2yth n GLY 19 N -0.12 -0.91 2.04 0.00 0.00 -1.21 -4.87 105.19 100.13 2yth n GLY 19 Ca 0.00 0.41 -0.12 0.00 0.00 0.00 0.00 46.02 46.31 2yth n GLY 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2yth n LYS 20 N -2.42 0.31 -4.55 1.61 4.76 -1.26 -4.69 118.16 111.93 2yth n LYS 20 Ca -0.21 -1.46 -0.22 0.00 -2.87 0.00 0.00 58.31 53.54 2yth n LYS 20 Cb 0.50 -0.32 -0.15 0.00 -1.84 0.00 0.00 35.03 33.21 2yth n LYS 20 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2yth s ARG 21 N -3.75 1.19 -0.14 1.97 0.52 -1.26 -3.05 118.95 114.42 2yth s ARG 21 Ca 0.34 -0.42 -0.10 0.00 -0.52 0.00 0.00 55.73 55.03 2yth s ARG 21 Cb -0.02 -1.10 0.05 0.00 0.52 0.00 0.00 34.95 34.40 2yth s ARG 21 CO 0.23 0.19 0.36 -0.06 0.02 0.00 0.00 175.30 176.04 2yth s PHE 22 N 0.03 -0.46 0.17 -0.53 0.08 -0.98 -5.02 117.98 111.26 2yth s PHE 22 Ca -0.01 1.06 -0.15 0.00 0.12 0.00 0.00 56.93 57.95 2yth s PHE 22 Cb -0.08 0.17 0.10 0.00 -0.57 0.00 0.00 43.02 42.64 2yth s PHE 22 CO 0.01 -0.25 1.75 1.15 -0.10 0.00 0.00 175.22 177.78 2yth h THR 23 N 5.13 0.89 -4.29 0.64 2.02 -1.98 -3.36 112.91 111.95 2yth h THR 23 Ca -0.32 -0.11 -0.59 0.00 0.77 0.00 0.00 66.41 66.16 2yth h THR 23 Cb 1.18 0.53 -0.28 0.00 -1.74 0.00 0.00 68.15 67.84 2yth h THR 23 CO 0.30 0.06 -0.85 -1.10 0.37 0.00 0.00 175.52 174.30 2yth s GLN 24 N -6.15 1.51 0.36 6.66 -1.52 -1.26 -4.84 119.66 114.43 2yth s GLN 24 Ca -0.13 -0.83 0.13 0.00 -1.95 0.00 0.00 55.36 52.58 2yth s GLN 24 Cb 0.13 -1.54 0.96 0.00 -0.22 0.00 0.00 33.01 32.34 2yth s GLN 24 CO 0.72 0.41 1.78 -2.95 -0.25 0.00 0.00 175.29 175.00 2yth h ASN 25 N 5.26 0.57 -0.86 5.90 -1.07 -1.92 -1.86 115.58 121.61 2yth h ASN 25 Ca -0.41 0.09 0.15 0.00 0.07 0.00 0.00 56.30 56.21 2yth h ASN 25 Cb 1.15 -0.01 -0.15 0.00 -2.07 0.00 0.00 38.32 37.24 2yth h ASN 25 CO 0.46 0.16 -0.27 -0.24 0.07 0.00 0.00 177.43 177.61 2yth n SER 26 N -4.68 -0.42 -0.32 6.14 2.88 -1.26 0.19 113.62 116.14 2yth n SER 26 Ca 0.24 1.49 0.01 0.00 -1.33 0.00 0.00 58.87 59.27 2yth n SER 26 Cb 0.74 -0.40 0.14 0.00 -0.75 0.00 0.00 64.21 63.94 2yth n SER 26 CO 0.00 0.00 0.00 -0.74 -1.23 0.00 0.00 175.04 173.07 2yth h HIS 27 N 0.00 1.04 0.02 0.66 2.76 -1.75 -2.74 115.15 115.14 2yth h HIS 27 Ca 0.36 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.56 2yth h HIS 27 Cb 0.58 -0.34 0.00 0.00 1.55 0.00 0.00 27.41 29.20 2yth h HIS 27 CO -0.70 0.55 -0.01 1.25 -1.30 0.00 0.00 177.93 177.72 2yth h LEU 28 N 1.04 -0.02 -0.76 0.26 5.85 0.19 -1.95 115.31 119.92 2yth h LEU 28 Ca 0.38 -0.36 0.14 0.00 0.84 0.00 0.00 57.88 58.88 2yth h LEU 28 Cb 0.13 0.00 -0.13 0.00 0.37 0.00 0.00 40.66 41.03 2yth h LEU 28 CO -0.16 0.35 -0.24 1.41 -0.34 0.00 0.00 178.44 179.46 2yth n HIS 29 N -4.92 0.17 0.06 1.25 8.25 0.80 -0.21 115.22 120.61 2yth n HIS 29 Ca -0.08 0.93 -0.04 0.00 -0.26 0.00 0.00 57.72 58.27 2yth n HIS 29 Cb 0.20 -0.87 -0.02 0.00 1.12 0.00 0.00 29.99 30.42 2yth n HIS 29 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2yth h SER 30 N 0.00 -0.21 -1.33 0.41 4.64 -1.55 -3.26 113.55 112.25 2yth h SER 30 Ca 0.32 0.01 0.39 0.00 -0.47 0.00 0.00 61.79 62.03 2yth h SER 30 Cb 0.51 0.06 -0.05 0.00 -0.31 0.00 0.00 62.40 62.60 2yth h SER 30 CO -0.77 0.21 1.19 1.57 -0.87 0.00 0.00 176.83 178.16 2yth n HIS 31 N -4.69 0.00 -0.10 4.77 -0.00 -0.56 0.11 115.22 114.75 2yth n HIS 31 Ca -0.03 0.00 -0.06 0.00 -0.00 0.00 0.00 57.72 57.62 2yth n HIS 31 Cb 0.10 -0.33 0.01 0.00 -0.00 0.00 0.00 29.99 29.77 2yth n HIS 31 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.34 178.30 2yth h GLN 32 N 0.00 0.28 0.00 1.57 1.08 -0.63 -0.34 115.11 117.07 2yth h GLN 32 Ca 0.63 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.81 2yth h GLN 32 Cb 3.01 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 30.37 2yth h GLN 32 CO -0.01 0.19 0.40 0.07 -0.95 0.00 0.00 178.83 178.53 2yth h ARG 33 N 0.29 0.00 -0.38 1.46 0.11 0.64 0.17 114.38 116.67 2yth h ARG 33 Ca 0.16 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.22 2yth h ARG 33 Cb 0.12 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.18 2yth h ARG 33 CO -0.15 0.00 0.17 0.28 0.10 0.00 0.00 179.97 180.36 2yth h VAL 34 N 0.00 1.14 -0.54 0.08 2.07 -1.17 -1.64 116.25 116.20 2yth h VAL 34 Ca 0.00 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.10 2yth h VAL 34 Cb 0.80 0.68 0.00 0.00 -1.52 0.00 0.00 31.29 31.25 2yth h VAL 34 CO 0.00 0.17 0.00 1.41 0.02 0.00 0.00 177.57 179.17 2yth n HIS 35 N -4.40 1.37 -1.51 1.57 8.25 0.58 -5.01 115.22 116.07 2yth n HIS 35 Ca 0.02 -0.66 -0.36 0.00 -0.26 0.00 0.00 57.72 56.46 2yth n HIS 35 Cb 0.13 -0.27 0.08 0.00 1.12 0.00 0.00 29.99 31.05 2yth n HIS 35 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 2yth n THR 36 N 0.70 3.63 -3.37 1.59 5.66 -0.62 -3.18 114.28 118.69 2yth n THR 36 Ca 0.24 -0.43 -0.19 0.00 -3.05 0.00 0.00 64.05 60.62 2yth n THR 36 Cb 0.89 -1.23 0.07 0.00 -1.55 0.00 0.00 70.33 68.50 2yth n THR 36 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2yth n GLY 37 N 1.06 -0.27 2.86 1.09 0.00 -1.26 -5.01 105.19 103.66 2yth n GLY 37 Ca 0.14 0.08 -0.25 0.00 0.00 0.00 0.00 46.02 45.99 2yth n GLY 37 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2yth s GLU 38 N -5.93 1.16 -0.09 1.61 2.02 -1.19 -5.13 118.70 111.14 2yth s GLU 38 Ca 0.41 -0.12 -0.24 0.00 0.02 0.00 0.00 54.97 55.04 2yth s GLU 38 Cb -0.18 -1.32 0.06 0.00 0.10 0.00 0.00 34.13 32.79 2yth s GLU 38 CO 0.60 -0.26 0.57 0.15 0.02 0.00 0.00 175.26 176.34 2yth s LYS 39 N 1.72 0.86 0.00 1.61 1.02 -1.26 -5.02 119.74 118.67 2yth s LYS 39 Ca 0.03 0.32 0.12 0.00 0.02 0.00 0.00 55.97 56.46 2yth s LYS 39 Cb -0.13 0.40 0.70 0.00 -0.52 0.00 0.00 37.83 38.29 2yth s LYS 39 CO -0.06 -0.22 1.13 -0.35 -0.92 0.00 0.00 175.35 174.93 2yth n PRO 40 N 1.55 0.49 -3.42 -1.68 -0.04 -1.26 -4.37 135.00 126.26 2yth n PRO 40 Ca -0.18 0.00 -0.44 0.00 -0.04 0.00 0.00 63.50 62.84 2yth n PRO 40 Cb 0.56 -1.38 -0.04 0.00 -0.04 0.00 0.00 33.50 32.61 2yth n PRO 40 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2yth s SER 41 N -1.88 6.40 -0.40 3.54 1.04 -1.26 -5.02 113.70 116.11 2yth s SER 41 Ca 0.18 -2.74 -0.35 0.00 0.48 0.00 0.00 55.95 53.52 2yth s SER 41 Cb 0.08 -2.12 -0.12 0.00 0.10 0.00 0.00 66.02 63.96 2yth s SER 41 CO 0.14 -0.52 2.23 0.61 0.98 0.00 0.00 173.24 176.68 2yth n GLY 42 N 3.85 0.38 0.12 7.32 0.00 -1.26 -4.83 105.19 110.77 2yth n GLY 42 Ca 0.12 0.94 -0.13 0.00 0.00 0.00 0.00 46.02 46.95 2yth n GLY 42 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yth h PRO 43 N 12.71 0.30 -7.35 1.61 0.13 -1.92 -3.46 132.00 134.03 2yth h PRO 43 Ca -0.25 -0.16 -0.46 0.00 -0.87 0.00 0.00 66.00 64.26 2yth h PRO 43 Cb 1.32 0.01 0.11 0.00 0.13 0.00 0.00 31.00 32.56 2yth h PRO 43 CO 1.05 0.71 0.21 -1.12 -0.23 0.00 0.00 178.00 178.62 2yth s SER 44 N -6.06 4.03 0.30 1.44 0.01 -1.26 -4.94 113.70 107.21 2yth s SER 44 Ca -0.14 -0.08 0.02 0.00 1.31 0.00 0.00 55.95 57.06 2yth s SER 44 Cb 0.05 -0.23 0.74 0.00 0.21 0.00 0.00 66.02 66.79 2yth s SER 44 CO 0.74 -2.09 1.51 -1.20 0.41 0.00 0.00 173.24 172.61 2yth n SER 45 N -3.12 -0.11 0.00 2.44 7.64 -1.26 -5.21 113.62 114.00 2yth n SER 45 Ca 0.14 1.64 0.00 0.00 1.01 0.00 0.00 58.87 61.66 2yth n SER 45 Cb 0.60 -0.60 0.02 0.00 -1.01 0.00 0.00 64.21 63.22 2yth n SER 45 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64