#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yth s SER 2 N 0.00 5.53 -0.86 1.61 0.01 -1.26 -4.90 113.70 113.83 2yth s SER 2 Ca 0.00 -0.54 -0.06 0.00 1.31 0.00 0.00 55.95 56.67 2yth s SER 2 Cb 0.00 -2.55 0.22 0.00 0.21 0.00 0.00 66.02 63.89 2yth s SER 2 CO 0.00 -2.33 0.76 -0.44 0.41 0.00 0.00 173.24 171.64 2yth s SER 3 N 7.06 6.21 -0.33 2.44 0.01 -1.26 -4.93 113.70 122.90 2yth s SER 3 Ca 0.61 -3.29 0.03 0.00 1.31 0.00 0.00 55.95 54.61 2yth s SER 3 Cb -0.07 -2.01 0.19 0.00 0.21 0.00 0.00 66.02 64.34 2yth s SER 3 CO 0.05 -0.32 0.71 -0.83 0.41 0.00 0.00 173.24 173.25 2yth s GLY 4 N 0.78 -1.24 0.64 3.44 0.00 -1.26 -5.16 107.32 104.52 2yth s GLY 4 Ca 0.24 1.01 -0.11 0.00 0.00 0.00 0.00 44.72 45.86 2yth s GLY 4 CO -0.09 3.80 1.04 -1.35 0.00 0.00 0.00 173.10 176.50 2yth s SER 5 N 2.52 5.98 -0.28 1.64 1.04 -1.26 -5.05 113.70 118.28 2yth s SER 5 Ca 0.15 1.47 -0.00 0.00 0.48 0.00 0.00 55.95 58.04 2yth s SER 5 Cb -0.06 -2.46 0.05 0.00 0.10 0.00 0.00 66.02 63.65 2yth s SER 5 CO -0.20 -1.04 -0.04 -0.44 0.98 0.00 0.00 173.24 172.51 2yth s SER 6 N -4.08 4.68 -0.13 7.02 0.01 -1.26 -5.00 113.70 114.94 2yth s SER 6 Ca 0.56 -1.24 -0.12 0.00 1.31 0.00 0.00 55.95 56.46 2yth s SER 6 Cb -0.12 -1.66 -0.09 0.00 0.21 0.00 0.00 66.02 64.36 2yth s SER 6 CO 0.54 -0.22 0.17 1.23 0.41 0.00 0.00 173.24 175.37 2yth h GLY 7 N 7.94 0.00 -5.31 3.44 0.00 -2.03 -3.45 103.07 103.65 2yth h GLY 7 Ca -0.22 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.55 2yth h GLY 7 CO 0.52 0.00 0.99 -0.45 0.00 0.00 0.00 176.54 177.60 2yth s SER 8 N -5.93 6.79 0.00 0.19 0.15 -1.26 -4.76 113.70 108.88 2yth s SER 8 Ca -0.12 1.84 0.00 0.00 0.70 0.00 0.00 55.95 58.37 2yth s SER 8 Cb 0.01 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 2yth s SER 8 CO 0.29 -0.88 0.00 0.61 1.20 0.00 0.00 173.24 174.46 2yth n GLY 9 N 3.92 -0.63 2.23 9.45 0.00 -1.26 -5.00 105.19 113.90 2yth n GLY 9 Ca 0.15 -1.85 -0.12 0.00 0.00 0.00 0.00 46.02 44.20 2yth n GLY 9 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2yth n GLU 10 N 0.00 -0.92 -2.10 1.61 0.00 -1.26 -4.96 120.64 113.01 2yth n GLU 10 Ca 0.00 0.59 -0.42 0.00 0.00 0.00 0.00 57.16 57.33 2yth n GLU 10 Cb 0.00 -4.72 -0.03 0.00 0.00 0.00 0.00 31.44 26.69 2yth n GLU 10 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.13 177.34 2yth s LYS 11 N -4.46 4.27 0.44 5.31 2.47 -1.26 -4.90 119.74 121.60 2yth s LYS 11 Ca 0.00 2.14 0.23 0.00 -1.56 0.00 0.00 55.97 56.78 2yth s LYS 11 Cb 0.00 -3.41 0.99 0.00 -1.46 0.00 0.00 37.83 33.95 2yth s LYS 11 CO 0.00 -0.56 1.87 -1.00 0.16 0.00 0.00 175.35 175.81 2yth h PRO 12 N 7.44 0.00 -3.74 4.03 0.13 -1.93 -3.37 132.00 134.56 2yth h PRO 12 Ca -0.41 0.00 -0.79 0.00 -0.87 0.00 0.00 66.00 63.93 2yth h PRO 12 Cb 1.20 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.06 2yth h PRO 12 CO 0.90 0.24 0.23 -0.06 -0.23 0.00 0.00 178.00 179.08 2yth s PHE 13 N -3.81 3.95 0.15 1.56 0.08 -1.26 -5.03 117.98 113.63 2yth s PHE 13 Ca -0.01 -2.25 0.08 0.00 0.12 0.00 0.00 56.93 54.88 2yth s PHE 13 Cb 0.11 -3.83 -0.04 0.00 -0.57 0.00 0.00 43.02 38.69 2yth s PHE 13 CO 0.64 -0.98 -0.10 -0.65 -0.10 0.00 0.00 175.22 174.03 2yth s GLN 14 N -0.35 2.06 1.35 0.44 -0.21 -1.26 -1.51 119.66 120.19 2yth s GLN 14 Ca 0.23 -1.17 -0.23 0.00 0.02 0.00 0.00 55.36 54.21 2yth s GLN 14 Cb -0.10 -2.21 0.34 0.00 1.00 0.00 0.00 33.01 32.04 2yth s GLN 14 CO -0.09 0.46 1.02 0.00 -2.12 0.00 0.00 175.29 174.57 2yth n GLU 16 N -5.31 0.58 -0.02 0.00 2.13 -1.26 -3.38 120.64 113.38 2yth n GLU 16 Ca 0.15 -0.04 0.06 0.00 0.66 0.00 0.00 57.16 57.98 2yth n GLU 16 Cb 0.60 -1.12 -0.13 0.00 0.27 0.00 0.00 31.44 31.06 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 -1.75 0.68 0.00 5.31 -0.58 -1.26 -4.59 120.64 118.45 2yth n GLU 17 Ca -0.02 -0.13 0.00 0.00 -0.42 0.00 0.00 57.16 56.59 2yth n GLU 17 Cb 0.21 -1.42 0.00 0.00 -0.57 0.00 0.00 31.44 29.66 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 0.19 -0.23 1.78 0.00 0.00 -1.22 -4.84 105.19 100.87 2yth n GLY 19 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.56 -1.67 -4.67 1.61 4.76 -1.26 -4.25 118.16 110.12 2yth n LYS 20 Ca -0.12 -0.55 -0.24 0.00 -2.87 0.00 0.00 58.31 54.53 2yth n LYS 20 Cb 0.55 -0.93 -0.16 0.00 -1.84 0.00 0.00 35.03 32.65 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 -3.13 1.40 -0.08 1.97 0.52 -1.26 -2.84 118.95 115.53 2yth s ARG 21 Ca 0.25 -0.50 -0.07 0.00 -0.52 0.00 0.00 55.73 54.89 2yth s ARG 21 Cb -0.04 -1.27 0.02 0.00 0.52 0.00 0.00 34.95 34.18 2yth s ARG 21 CO 0.21 0.22 0.21 -0.06 0.02 0.00 0.00 175.30 175.91 2yth s PHE 22 N -0.01 -0.23 -0.85 -0.53 0.08 -0.57 -5.01 117.98 110.87 2yth s PHE 22 Ca -0.01 0.55 0.27 0.00 0.12 0.00 0.00 56.93 57.86 2yth s PHE 22 Cb -0.09 0.08 0.99 0.00 -0.57 0.00 0.00 43.02 43.43 2yth s PHE 22 CO 0.01 -0.12 1.84 0.25 -0.10 0.00 0.00 175.22 177.11 2yth n THR 23 N 2.93 0.34 -3.72 0.64 -2.24 -1.26 -4.03 114.28 106.94 2yth n THR 23 Ca -0.13 -0.16 -0.14 0.00 -2.27 0.00 0.00 64.05 61.35 2yth n THR 23 Cb 0.58 -0.55 -0.15 0.00 -2.10 0.00 0.00 70.33 68.12 2yth n THR 23 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2yth s GLN 24 N -3.06 0.09 0.21 -0.78 1.11 -1.26 -5.01 119.66 110.97 2yth s GLN 24 Ca 0.12 0.45 -0.18 0.00 0.01 0.00 0.00 55.36 55.76 2yth s GLN 24 Cb 0.15 -0.19 0.20 0.00 -1.01 0.00 0.00 33.01 32.16 2yth s GLN 24 CO 0.57 -0.21 1.57 -2.95 0.01 0.00 0.00 175.29 174.28 2yth h ASN 25 N 7.57 -1.28 -0.79 5.90 7.08 -1.93 -0.82 115.58 131.32 2yth h ASN 25 Ca -0.34 0.27 0.08 0.00 -3.08 0.00 0.00 56.30 53.23 2yth h ASN 25 Cb 1.13 0.67 -0.10 0.00 -2.08 0.00 0.00 38.32 37.94 2yth h ASN 25 CO 0.34 -0.29 -0.43 -0.24 -2.08 0.00 0.00 177.43 174.72 2yth n SER 26 N -5.46 -0.77 -0.35 6.14 2.88 -1.26 0.20 113.62 115.00 2yth n SER 26 Ca 0.08 1.40 0.16 0.00 -1.33 0.00 0.00 58.87 59.18 2yth n SER 26 Cb 0.39 -0.21 0.36 0.00 -0.75 0.00 0.00 64.21 64.00 2yth n SER 26 CO 0.00 0.00 0.00 0.45 -1.23 0.00 0.00 175.04 174.26 2yth h HIS 27 N 0.00 1.04 0.01 0.66 3.86 -1.58 -0.29 115.15 118.85 2yth h HIS 27 Ca 0.16 0.04 -0.00 0.00 -1.16 0.00 0.00 60.37 59.40 2yth h HIS 27 Cb 0.36 -0.30 0.00 0.00 1.06 0.00 0.00 27.41 28.52 2yth h HIS 27 CO -0.79 0.13 -0.00 1.25 0.86 0.00 0.00 177.93 179.37 2yth h LEU 28 N 0.65 -0.01 -0.46 2.43 5.85 0.24 -0.48 115.31 123.53 2yth h LEU 28 Ca 0.62 -0.55 0.09 0.00 0.84 0.00 0.00 57.88 58.88 2yth h LEU 28 Cb 1.11 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 42.05 2yth h LEU 28 CO -0.44 0.55 -0.13 0.45 -0.34 0.00 0.00 178.44 178.53 2yth h HIS 29 N -0.58 -0.28 -0.22 1.25 3.86 0.69 0.23 115.15 120.11 2yth h HIS 29 Ca -0.00 0.04 -0.14 0.00 -1.16 0.00 0.00 60.37 59.11 2yth h HIS 29 Cb 0.56 0.19 -0.01 0.00 1.06 0.00 0.00 27.41 29.22 2yth h HIS 29 CO 0.12 -0.21 -0.46 0.66 0.86 0.00 0.00 177.93 178.90 2yth h SER 30 N -0.01 0.62 0.13 2.45 4.64 -1.16 -2.93 113.55 117.28 2yth h SER 30 Ca 0.22 -0.29 -0.04 0.00 -0.47 0.00 0.00 61.79 61.20 2yth h SER 30 Cb 0.35 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.26 2yth h SER 30 CO -0.48 0.98 -0.17 -0.74 -0.87 0.00 0.00 176.83 175.55 2yth h HIS 31 N 0.46 0.10 -0.98 4.77 -0.00 0.28 -2.69 115.15 117.09 2yth h HIS 31 Ca 0.03 -0.01 0.17 0.00 -0.00 0.00 0.00 60.37 60.56 2yth h HIS 31 Cb 0.97 -0.03 -0.10 0.00 -0.00 0.00 0.00 27.41 28.26 2yth h HIS 31 CO 0.04 0.27 0.58 1.96 -0.00 0.00 0.00 177.93 180.78 2yth h GLN 32 N 0.09 0.75 -0.64 5.26 1.08 -0.40 0.22 115.11 121.48 2yth h GLN 32 Ca 0.02 -0.05 0.18 0.00 -1.45 0.00 0.00 58.65 57.36 2yth h GLN 32 Cb 0.36 -0.17 -0.03 0.00 -0.05 0.00 0.00 27.48 27.60 2yth h GLN 32 CO 0.02 0.50 0.48 0.00 -0.95 0.00 0.00 178.83 178.88 2yth h ARG 33 N 0.78 0.00 -0.05 1.46 3.08 -1.61 0.81 114.38 118.85 2yth h ARG 33 Ca 0.54 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.61 2yth h ARG 33 Cb 0.78 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.83 2yth h ARG 33 CO -0.36 0.00 0.39 -0.24 -1.07 0.00 0.00 179.97 178.69 2yth h VAL 34 N 0.00 0.04 -0.60 2.04 3.04 -0.72 0.76 116.25 120.81 2yth h VAL 34 Ca 0.30 0.00 -0.10 0.00 -1.01 0.00 0.00 66.70 65.89 2yth h VAL 34 Cb 1.26 0.62 -0.06 0.00 -2.01 0.00 0.00 31.29 31.10 2yth h VAL 34 CO -0.00 0.00 0.13 1.41 -1.01 0.00 0.00 177.57 178.09 2yth n HIS 35 N -2.95 2.09 -0.93 3.17 8.25 0.28 -5.01 115.22 120.12 2yth n HIS 35 Ca -0.01 -0.88 -0.36 0.00 -0.26 0.00 0.00 57.72 56.20 2yth n HIS 35 Cb 0.45 -0.56 -0.05 0.00 1.12 0.00 0.00 29.99 30.94 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 0.24 0.02 0.03 1.59 -2.24 0.27 -4.81 114.28 109.38 2yth n THR 36 Ca 0.31 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 62.09 2yth n THR 36 Cb 1.21 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.44 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 0.93 -0.34 3.95 3.38 0.00 -1.26 -5.13 105.19 106.73 2yth n GLY 37 Ca 0.12 0.04 -0.23 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.00 2.67 -0.05 1.61 0.41 -1.26 -5.12 118.70 114.96 2yth s GLU 38 Ca 0.00 -0.52 -0.16 0.00 -0.41 0.00 0.00 54.97 53.89 2yth s GLU 38 Cb 0.00 -2.43 0.03 0.00 -1.78 0.00 0.00 34.13 29.95 2yth s GLU 38 CO 0.00 -0.68 0.35 -1.59 -0.49 0.00 0.00 175.26 172.85 2yth s LYS 39 N -4.82 0.64 -0.07 1.61 0.00 -1.26 -5.13 119.74 110.71 2yth s LYS 39 Ca 0.55 0.02 -0.30 0.00 0.00 0.00 0.00 55.97 56.24 2yth s LYS 39 Cb -0.10 0.29 -0.05 0.00 0.00 0.00 0.00 37.83 37.97 2yth s LYS 39 CO 0.40 -0.16 1.51 -1.25 0.00 0.00 0.00 175.35 175.85 2yth s PRO 40 N -0.94 4.21 0.25 1.78 0.04 -1.26 -4.94 135.00 134.15 2yth s PRO 40 Ca -0.10 2.02 -0.28 0.00 0.04 0.00 0.00 61.00 62.68 2yth s PRO 40 Cb -0.04 -3.84 -0.16 0.00 0.04 0.00 0.00 34.50 30.50 2yth s PRO 40 CO 0.04 -0.76 0.70 -1.13 0.04 0.00 0.00 177.00 175.89 2yth n SER 41 N 6.62 -0.29 -4.86 6.66 3.41 -1.26 -4.95 113.62 118.95 2yth n SER 41 Ca 0.16 1.13 -0.25 0.00 -0.26 0.00 0.00 58.87 59.65 2yth n SER 41 Cb 0.43 -1.09 0.07 0.00 -0.26 0.00 0.00 64.21 63.37 2yth n SER 41 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2yth s GLY 42 N -0.83 1.73 -1.06 5.00 0.00 -1.26 -4.96 107.32 105.94 2yth s GLY 42 Ca 0.62 -1.11 -0.23 0.00 0.00 0.00 0.00 44.72 44.00 2yth s GLY 42 CO 0.58 -0.68 1.94 2.56 0.00 0.00 0.00 173.10 177.49 2yth s PRO 43 N -5.18 2.52 -1.39 2.90 0.04 -1.26 -4.19 135.00 128.44 2yth s PRO 43 Ca 0.61 -0.78 -0.14 0.00 0.04 0.00 0.00 61.00 60.73 2yth s PRO 43 Cb -0.10 -5.16 0.14 0.00 0.04 0.00 0.00 34.50 29.42 2yth s PRO 43 CO 0.44 -3.72 0.36 -1.13 0.04 0.00 0.00 177.00 172.99 2yth n SER 44 N 14.21 -0.94 -4.59 6.66 3.41 -1.26 -4.77 113.62 126.34 2yth n SER 44 Ca 0.43 -0.96 -0.42 0.00 -0.26 0.00 0.00 58.87 57.65 2yth n SER 44 Cb 0.47 -1.22 -0.02 0.00 -0.26 0.00 0.00 64.21 63.17 2yth n SER 44 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2yth s SER 45 N -3.01 6.16 0.00 4.04 0.15 -1.26 -5.32 113.70 114.45 2yth s SER 45 Ca 0.50 0.66 0.00 0.00 0.70 0.00 0.00 55.95 57.81 2yth s SER 45 Cb -0.29 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.48 2yth s SER 45 CO 0.78 -1.61 0.00 0.61 1.20 0.00 0.00 173.24 174.22