#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 -1.59 -4.81 1.61 3.41 -1.26 -4.88 113.62 106.10 2yth n SER 2 Ca 0.00 -1.20 -0.32 0.00 -0.26 0.00 0.00 58.87 57.09 2yth n SER 2 Cb 0.00 -1.87 0.02 0.00 -0.26 0.00 0.00 64.21 62.10 2yth n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2yth s SER 3 N -3.49 5.73 0.00 4.04 0.15 -1.26 -4.77 113.70 114.10 2yth s SER 3 Ca 0.65 1.71 0.00 0.00 0.70 0.00 0.00 55.95 59.01 2yth s SER 3 Cb -0.37 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.42 2yth s SER 3 CO 1.00 -1.20 0.00 0.61 1.20 0.00 0.00 173.24 174.85 2yth n GLY 4 N -1.45 1.44 0.30 9.45 0.00 -1.26 -5.00 105.19 108.68 2yth n GLY 4 Ca 0.08 -0.11 0.10 0.00 0.00 0.00 0.00 46.02 46.09 2yth n GLY 4 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2yth h SER 5 N 0.00 -0.28 -3.30 1.61 4.64 -2.00 -3.36 113.55 110.85 2yth h SER 5 Ca 0.00 0.22 -0.59 0.00 -0.47 0.00 0.00 61.79 60.95 2yth h SER 5 Cb 0.00 0.36 -0.08 0.00 -0.31 0.00 0.00 62.40 62.37 2yth h SER 5 CO 0.00 -0.22 0.62 -0.55 -0.87 0.00 0.00 176.83 175.81 2yth s SER 6 N -5.11 6.86 0.00 4.97 0.15 -1.26 -4.41 113.70 114.90 2yth s SER 6 Ca -0.13 0.98 0.00 0.00 0.70 0.00 0.00 55.95 57.50 2yth s SER 6 Cb 0.25 -2.48 0.00 0.00 -1.71 0.00 0.00 66.02 62.08 2yth s SER 6 CO 0.77 -0.69 0.00 0.61 1.20 0.00 0.00 173.24 175.13 2yth n GLY 7 N 3.86 0.47 0.28 9.45 0.00 -1.26 -4.99 105.19 112.99 2yth n GLY 7 Ca 0.08 -0.03 0.10 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.15 -4.93 1.61 7.64 -1.26 -4.30 113.62 112.24 2yth n SER 8 Ca 0.00 1.38 -0.29 0.00 1.01 0.00 0.00 58.87 60.98 2yth n SER 8 Cb 0.00 -0.48 -0.04 0.00 -1.01 0.00 0.00 64.21 62.68 2yth n SER 8 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2yth s GLY 9 N -4.22 1.97 -0.31 0.23 0.00 -1.26 -5.03 107.32 98.71 2yth s GLY 9 Ca -0.11 -0.87 0.16 0.00 0.00 0.00 0.00 44.72 43.90 2yth s GLY 9 CO 0.63 -0.85 1.07 -2.21 0.00 0.00 0.00 173.10 171.75 2yth n GLU 10 N -0.16 2.12 -4.26 2.90 4.07 -1.26 -5.06 120.64 118.98 2yth n GLU 10 Ca -0.05 -3.69 -0.18 0.00 -0.06 0.00 0.00 57.16 53.18 2yth n GLU 10 Cb 0.52 -1.70 -0.15 0.00 -0.06 0.00 0.00 31.44 30.05 2yth n GLU 10 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 2yth s LYS 11 N -3.52 0.66 -0.02 5.31 1.02 -1.26 -5.06 119.74 116.87 2yth s LYS 11 Ca 0.34 -0.24 -0.26 0.00 0.02 0.00 0.00 55.97 55.84 2yth s LYS 11 Cb 0.39 -0.64 -0.20 0.00 -0.52 0.00 0.00 37.83 36.86 2yth s LYS 11 CO -0.02 0.11 1.24 -1.00 -0.92 0.00 0.00 175.35 174.75 2yth h PRO 12 N 6.21 -0.04 -6.43 -1.68 0.13 -1.94 -3.44 132.00 124.81 2yth h PRO 12 Ca -0.31 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.28 2yth h PRO 12 Cb 1.18 0.01 0.01 0.00 0.13 0.00 0.00 31.00 32.33 2yth h PRO 12 CO 0.49 0.43 0.83 -0.06 -0.23 0.00 0.00 178.00 179.47 2yth s PHE 13 N -4.22 2.88 0.01 1.56 0.08 -1.26 -5.01 117.98 112.02 2yth s PHE 13 Ca -0.16 0.77 -0.06 0.00 0.12 0.00 0.00 56.93 57.60 2yth s PHE 13 Cb 0.02 -3.72 -0.00 0.00 -0.57 0.00 0.00 43.02 38.74 2yth s PHE 13 CO 0.65 -2.68 0.10 -0.65 -0.10 0.00 0.00 175.22 172.54 2yth s GLN 14 N 2.10 0.44 1.24 0.44 -0.21 -1.26 -2.60 119.66 119.82 2yth s GLN 14 Ca 0.66 -0.45 -0.21 0.00 0.02 0.00 0.00 55.36 55.38 2yth s GLN 14 Cb -0.34 0.18 0.31 0.00 1.00 0.00 0.00 33.01 34.15 2yth s GLN 14 CO 0.28 -0.10 1.11 0.00 -2.12 0.00 0.00 175.29 174.47 2yth n GLU 16 N -4.87 3.09 0.01 0.00 2.13 -1.26 -3.51 120.64 116.22 2yth n GLU 16 Ca 0.15 -0.00 0.03 0.00 0.66 0.00 0.00 57.16 57.99 2yth n GLU 16 Cb 0.60 -1.05 -0.11 0.00 0.27 0.00 0.00 31.44 31.15 2yth n GLU 16 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2yth n GLU 17 N -1.99 0.64 0.00 5.31 1.02 -1.26 -4.44 120.64 119.92 2yth n GLU 17 Ca -0.03 0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 2yth n GLU 17 Cb 0.48 -1.68 0.00 0.00 -0.02 0.00 0.00 31.44 30.23 2yth n GLU 17 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2yth n GLY 19 N -0.09 -0.14 1.78 0.00 0.00 -1.23 -4.84 105.19 100.67 2yth n GLY 19 Ca 0.00 0.15 -0.15 0.00 0.00 0.00 0.00 46.02 46.02 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 -4.17 -1.86 -4.25 1.61 4.76 -1.26 -4.49 118.16 108.49 2yth n LYS 20 Ca -0.25 -0.90 -0.17 0.00 -2.87 0.00 0.00 58.31 54.13 2yth n LYS 20 Cb 0.60 -0.80 -0.15 0.00 -1.84 0.00 0.00 35.03 32.85 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 -4.27 0.56 0.04 1.97 0.52 -1.26 -2.77 118.95 113.74 2yth s ARG 21 Ca 0.36 -0.25 -0.14 0.00 -0.52 0.00 0.00 55.73 55.18 2yth s ARG 21 Cb -0.03 -0.54 0.02 0.00 0.52 0.00 0.00 34.95 34.92 2yth s ARG 21 CO 0.27 0.15 0.32 -0.06 0.02 0.00 0.00 175.30 176.00 2yth s PHE 22 N -0.16 -0.13 -0.17 -0.53 0.40 -1.07 -5.02 117.98 111.30 2yth s PHE 22 Ca 0.03 0.01 -0.21 0.00 -0.60 0.00 0.00 56.93 56.16 2yth s PHE 22 Cb -0.03 0.11 -0.22 0.00 0.51 0.00 0.00 43.02 43.39 2yth s PHE 22 CO -0.00 -0.51 0.38 1.15 0.70 0.00 0.00 175.22 176.94 2yth h THR 23 N 3.22 1.06 -3.27 0.64 2.02 -1.98 -3.37 112.91 111.23 2yth h THR 23 Ca -0.32 -2.26 -0.59 0.00 0.77 0.00 0.00 66.41 64.01 2yth h THR 23 Cb 1.20 2.53 -0.10 0.00 -1.74 0.00 0.00 68.15 70.03 2yth h THR 23 CO 0.45 0.48 -0.35 -1.58 0.37 0.00 0.00 175.52 174.89 2yth s GLN 24 N -2.38 4.22 0.28 6.66 2.00 -1.26 -4.90 119.66 124.29 2yth s GLN 24 Ca -0.25 0.05 0.02 0.00 -2.00 0.00 0.00 55.36 53.18 2yth s GLN 24 Cb 0.04 -3.42 0.67 0.00 0.80 0.00 0.00 33.01 31.11 2yth s GLN 24 CO 0.65 0.27 1.71 -0.97 -0.50 0.00 0.00 175.29 176.45 2yth h ASN 25 N 6.61 0.36 -0.54 6.67 -0.73 -1.99 -0.14 115.58 125.82 2yth h ASN 25 Ca -0.42 0.14 0.11 0.00 1.87 0.00 0.00 56.30 58.00 2yth h ASN 25 Cb 1.16 0.11 -0.09 0.00 0.27 0.00 0.00 38.32 39.78 2yth h ASN 25 CO 0.75 0.05 0.02 -1.28 -0.37 0.00 0.00 177.43 176.60 2yth h SER 26 N 0.44 -0.18 -0.93 1.15 0.87 -2.00 -0.32 113.55 112.59 2yth h SER 26 Ca 0.53 0.12 0.25 0.00 -1.23 0.00 0.00 61.79 61.47 2yth h SER 26 Cb 0.96 0.21 -0.13 0.00 -0.44 0.00 0.00 62.40 62.99 2yth h SER 26 CO -0.49 -0.07 0.41 -0.74 -0.53 0.00 0.00 176.83 175.41 2yth h HIS 27 N 0.14 0.66 0.12 2.24 -0.00 -1.43 -0.98 115.15 115.91 2yth h HIS 27 Ca 0.28 0.04 -0.01 0.00 -0.00 0.00 0.00 60.37 60.68 2yth h HIS 27 Cb 0.42 -0.14 0.00 0.00 -0.00 0.00 0.00 27.41 27.69 2yth h HIS 27 CO -0.31 -0.11 -0.06 1.25 -0.00 0.00 0.00 177.93 178.70 2yth h LEU 28 N 0.35 -0.14 -0.80 0.26 5.85 -1.09 0.22 115.31 119.96 2yth h LEU 28 Ca 0.61 0.00 0.29 0.00 0.84 0.00 0.00 57.88 59.62 2yth h LEU 28 Cb 1.23 0.04 -0.15 0.00 0.37 0.00 0.00 40.66 42.15 2yth h LEU 28 CO -0.58 -0.05 0.26 1.41 -0.34 0.00 0.00 178.44 179.14 2yth n HIS 29 N -2.71 0.76 -0.01 1.25 8.25 -0.89 0.98 115.22 122.84 2yth n HIS 29 Ca -0.02 0.95 -0.17 0.00 -0.26 0.00 0.00 57.72 58.23 2yth n HIS 29 Cb 0.06 -1.25 -0.12 0.00 1.12 0.00 0.00 29.99 29.80 2yth n HIS 29 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2yth h SER 30 N 0.00 0.31 -0.92 0.41 0.87 -1.22 -3.30 113.55 109.70 2yth h SER 30 Ca 0.60 -0.85 0.17 0.00 -1.23 0.00 0.00 61.79 60.48 2yth h SER 30 Cb 1.46 -0.10 -0.10 0.00 -0.44 0.00 0.00 62.40 63.22 2yth h SER 30 CO -0.67 1.13 0.50 -0.74 -0.53 0.00 0.00 176.83 176.52 2yth h HIS 31 N -0.46 0.88 -0.50 2.24 -0.00 0.40 0.24 115.15 117.95 2yth h HIS 31 Ca -0.06 0.04 0.14 0.00 -0.00 0.00 0.00 60.37 60.49 2yth h HIS 31 Cb 1.22 -0.25 -0.02 0.00 -0.00 0.00 0.00 27.41 28.36 2yth h HIS 31 CO 0.19 0.18 0.67 1.96 -0.00 0.00 0.00 177.93 180.93 2yth h GLN 32 N 0.66 0.00 -0.49 5.26 4.20 -0.85 0.48 115.11 124.36 2yth h GLN 32 Ca 0.52 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 59.19 2yth h GLN 32 Cb 0.80 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.56 2yth h GLN 32 CO -0.39 0.00 0.13 0.07 -0.67 0.00 0.00 178.83 177.97 2yth h ARG 33 N 0.00 0.74 -0.54 1.46 0.11 -0.69 -2.26 114.38 113.20 2yth h ARG 33 Ca 0.24 -0.14 0.16 0.00 0.10 0.00 0.00 59.98 60.34 2yth h ARG 33 Cb 1.56 -0.12 -0.02 0.00 1.11 0.00 0.00 29.97 32.50 2yth h ARG 33 CO -0.00 0.66 0.66 -0.39 0.10 0.00 0.00 179.97 181.00 2yth h VAL 34 N 0.72 0.23 -0.39 0.08 -1.51 -0.18 1.09 116.25 116.29 2yth h VAL 34 Ca 0.16 0.00 -0.07 0.00 -1.23 0.00 0.00 66.70 65.57 2yth h VAL 34 Cb 0.25 0.46 -0.04 0.00 -2.13 0.00 0.00 31.29 29.82 2yth h VAL 34 CO -0.01 0.00 0.09 1.41 -1.23 0.00 0.00 177.57 177.83 2yth n HIS 35 N -3.48 1.34 -0.22 5.19 8.25 -0.85 -4.62 115.22 120.84 2yth n HIS 35 Ca 0.11 -0.61 0.05 0.00 -0.26 0.00 0.00 57.72 57.00 2yth n HIS 35 Cb 0.86 -0.41 0.11 0.00 1.12 0.00 0.00 29.99 31.66 2yth n HIS 35 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2yth n THR 36 N 0.18 -0.26 0.00 1.59 -2.24 0.38 -1.85 114.28 112.08 2yth n THR 36 Ca 0.20 1.38 0.00 0.00 -2.27 0.00 0.00 64.05 63.37 2yth n THR 36 Cb 0.89 -1.94 0.00 0.00 -2.10 0.00 0.00 70.33 67.18 2yth n THR 36 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2yth n GLY 37 N -1.37 -2.82 3.50 3.38 0.00 -1.26 -2.71 105.19 103.91 2yth n GLY 37 Ca 0.11 0.60 -0.28 0.00 0.00 0.00 0.00 46.02 46.45 2yth n GLY 37 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2yth n GLU 38 N -0.85 0.58 -3.64 1.61 1.02 -0.77 -4.74 120.64 113.85 2yth n GLU 38 Ca 0.00 -1.72 -0.07 0.00 -0.02 0.00 0.00 57.16 55.35 2yth n GLU 38 Cb 0.00 -3.42 -0.07 0.00 -0.02 0.00 0.00 31.44 27.93 2yth n GLU 38 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2yth s LYS 39 N 7.27 0.65 0.00 3.49 2.47 -1.10 -5.02 119.74 127.50 2yth s LYS 39 Ca 0.73 1.07 0.15 0.00 -1.56 0.00 0.00 55.97 56.35 2yth s LYS 39 Cb 0.03 0.15 0.70 0.00 -1.46 0.00 0.00 37.83 37.25 2yth s LYS 39 CO 0.21 -0.13 1.42 -0.35 0.16 0.00 0.00 175.35 176.66 2yth n PRO 40 N 3.98 0.14 -3.70 4.03 -0.04 -1.26 -4.57 135.00 133.58 2yth n PRO 40 Ca -0.19 0.18 -0.38 0.00 -0.04 0.00 0.00 63.50 63.08 2yth n PRO 40 Cb 0.58 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.42 2yth n PRO 40 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2yth s SER 41 N -2.72 5.37 0.00 3.54 0.01 -1.26 -5.02 113.70 113.62 2yth s SER 41 Ca 0.12 -0.40 0.00 0.00 1.31 0.00 0.00 55.95 56.97 2yth s SER 41 Cb 0.10 -1.96 0.00 0.00 0.21 0.00 0.00 66.02 64.36 2yth s SER 41 CO 0.24 -0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.37 2yth n GLY 42 N 4.95 -0.03 0.24 3.44 0.00 -1.26 -4.83 105.19 107.70 2yth n GLY 42 Ca -0.15 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.00 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 0.00 0.00 -6.55 1.61 0.13 -2.00 -3.46 132.00 121.73 2yth h PRO 43 Ca 0.00 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.64 2yth h PRO 43 Cb 0.00 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 30.93 2yth h PRO 43 CO 0.00 0.15 -0.75 0.43 -0.23 0.00 0.00 178.00 177.60 2yth n SER 44 N -3.36 0.19 -3.82 1.44 7.64 -1.26 -4.89 113.62 109.56 2yth n SER 44 Ca -0.00 -1.00 -0.25 0.00 1.01 0.00 0.00 58.87 58.63 2yth n SER 44 Cb 0.36 -1.25 -0.17 0.00 -1.01 0.00 0.00 64.21 62.14 2yth n SER 44 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2yth s SER 45 N -3.75 1.89 0.00 6.43 0.15 -1.26 -5.24 113.70 111.92 2yth s SER 45 Ca 0.17 -0.21 0.00 0.00 0.70 0.00 0.00 55.95 56.61 2yth s SER 45 Cb -0.10 -0.61 0.00 0.00 -1.71 0.00 0.00 66.02 63.60 2yth s SER 45 CO 0.79 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 175.67