#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 7.47 0.06 1.61 1.04 -1.26 -4.98 113.70 117.64 2yth s SER 2 Ca 0.00 2.06 -0.33 0.00 0.48 0.00 0.00 55.95 58.16 2yth s SER 2 Cb 0.00 -2.61 -0.18 0.00 0.10 0.00 0.00 66.02 63.33 2yth s SER 2 CO 0.00 0.00 1.50 -1.28 0.98 0.00 0.00 173.24 174.44 2yth h SER 3 N 4.24 -1.07 -4.17 7.02 0.87 -2.12 -3.49 113.55 114.84 2yth h SER 3 Ca -0.45 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.16 2yth h SER 3 Cb 1.21 0.30 0.00 0.00 -0.44 0.00 0.00 62.40 63.46 2yth h SER 3 CO 0.68 -0.69 -0.67 0.61 -0.53 0.00 0.00 176.83 176.23 2yth n GLY 4 N -1.57 -4.90 3.58 5.77 0.00 -1.26 -5.10 105.19 101.71 2yth n GLY 4 Ca -0.14 -0.14 -0.12 0.00 0.00 0.00 0.00 46.02 45.62 2yth n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yth s SER 5 N -0.41 -0.47 -1.11 1.61 0.15 -1.26 -5.09 113.70 107.12 2yth s SER 5 Ca 0.00 0.61 -0.14 0.00 0.70 0.00 0.00 55.95 57.12 2yth s SER 5 Cb 0.00 0.52 0.19 0.00 -1.71 0.00 0.00 66.02 65.02 2yth s SER 5 CO 0.00 -0.37 1.27 -0.55 1.20 0.00 0.00 173.24 174.79 2yth s SER 6 N -0.82 7.02 0.00 5.45 0.15 -1.26 -4.89 113.70 119.35 2yth s SER 6 Ca -0.03 -2.92 0.00 0.00 0.70 0.00 0.00 55.95 53.70 2yth s SER 6 Cb -0.01 -2.35 0.00 0.00 -1.71 0.00 0.00 66.02 61.95 2yth s SER 6 CO 0.02 -0.70 0.00 0.61 1.20 0.00 0.00 173.24 174.37 2yth n GLY 7 N 4.08 3.07 3.21 9.45 0.00 -1.26 -4.98 105.19 118.77 2yth n GLY 7 Ca 0.30 -1.89 -0.42 0.00 0.00 0.00 0.00 46.02 44.02 2yth n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yth s SER 8 N 0.00 5.99 0.00 1.61 0.01 -1.26 -4.92 113.70 115.12 2yth s SER 8 Ca 0.00 -2.71 0.00 0.00 1.31 0.00 0.00 55.95 54.55 2yth s SER 8 Cb 0.00 -2.03 0.00 0.00 0.21 0.00 0.00 66.02 64.20 2yth s SER 8 CO 0.00 -0.49 0.00 0.61 0.41 0.00 0.00 173.24 173.77 2yth n GLY 9 N 3.82 -0.94 3.11 3.44 0.00 -1.26 -5.13 105.19 108.23 2yth n GLY 9 Ca 0.09 0.91 -0.34 0.00 0.00 0.00 0.00 46.02 46.69 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 2.16 0.42 1.61 2.02 -1.26 -5.05 118.70 118.59 2yth s GLU 10 Ca 0.00 -1.47 -0.16 0.00 0.02 0.00 0.00 54.97 53.36 2yth s GLU 10 Cb 0.00 -3.16 -0.09 0.00 0.10 0.00 0.00 34.13 30.99 2yth s GLU 10 CO 0.00 -0.72 0.87 0.15 0.02 0.00 0.00 175.26 175.58 2yth s LYS 11 N 1.13 4.00 0.19 1.61 3.01 -1.26 -4.99 119.74 123.43 2yth s LYS 11 Ca -0.02 0.82 -0.05 0.00 -1.01 0.00 0.00 55.97 55.71 2yth s LYS 11 Cb -0.20 -2.28 0.10 0.00 -1.01 0.00 0.00 37.83 34.45 2yth s LYS 11 CO -0.04 -0.05 1.54 -1.00 0.51 0.00 0.00 175.35 176.31 2yth h PRO 12 N 1.58 0.71 -6.07 -1.68 0.13 -1.98 -3.41 132.00 121.29 2yth h PRO 12 Ca -0.48 -0.37 -0.58 0.00 -0.87 0.00 0.00 66.00 63.69 2yth h PRO 12 Cb 1.18 0.01 -0.10 0.00 0.13 0.00 0.00 31.00 32.22 2yth h PRO 12 CO 0.63 0.99 0.77 -0.06 -0.23 0.00 0.00 178.00 180.10 2yth s PHE 13 N -4.28 2.60 0.04 1.56 0.08 -1.26 -5.01 117.98 111.72 2yth s PHE 13 Ca -0.09 -0.03 0.08 0.00 0.12 0.00 0.00 56.93 57.02 2yth s PHE 13 Cb 0.12 -4.35 -0.03 0.00 -0.57 0.00 0.00 43.02 38.19 2yth s PHE 13 CO 0.85 -1.64 -0.24 -0.65 -0.10 0.00 0.00 175.22 173.44 2yth s GLN 14 N 4.63 1.64 1.06 0.44 -0.21 -1.26 -2.88 119.66 123.08 2yth s GLN 14 Ca 0.33 -1.01 -0.13 0.00 0.02 0.00 0.00 55.36 54.56 2yth s GLN 14 Cb -0.11 -1.76 0.22 0.00 1.00 0.00 0.00 33.01 32.36 2yth s GLN 14 CO 0.18 0.46 1.08 0.00 -2.12 0.00 0.00 175.29 174.89 2yth n GLU 16 N -4.40 1.15 -0.03 0.00 -0.58 -1.26 -3.15 120.64 112.38 2yth n GLU 16 Ca 0.06 -0.04 -0.02 0.00 -0.42 0.00 0.00 57.16 56.74 2yth n GLU 16 Cb 0.57 -1.15 -0.13 0.00 -0.57 0.00 0.00 31.44 30.16 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 -1.88 0.65 0.00 3.49 -0.58 -1.26 -4.52 120.64 116.54 2yth n GLU 17 Ca -0.04 0.06 0.00 0.00 -0.42 0.00 0.00 57.16 56.76 2yth n GLU 17 Cb 0.34 -1.65 0.00 0.00 -0.57 0.00 0.00 31.44 29.56 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 -0.01 -0.21 2.43 0.00 0.00 -1.19 -4.87 105.19 101.34 2yth n GLY 19 Ca 0.00 0.74 -0.15 0.00 0.00 0.00 0.00 46.02 46.61 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 -0.75 0.90 -5.16 1.61 5.02 -1.26 -4.70 118.16 113.82 2yth n LYS 20 Ca -0.12 -2.10 -0.32 0.00 -2.02 0.00 0.00 58.31 53.75 2yth n LYS 20 Cb 0.52 0.10 -0.15 0.00 -0.02 0.00 0.00 35.03 35.47 2yth n LYS 20 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2yth s ARG 21 N -3.51 2.46 -0.16 1.97 0.52 -1.26 -3.34 118.95 115.62 2yth s ARG 21 Ca 0.26 -0.85 -0.15 0.00 -0.52 0.00 0.00 55.73 54.48 2yth s ARG 21 Cb -0.02 -2.21 0.04 0.00 0.52 0.00 0.00 34.95 33.28 2yth s ARG 21 CO 0.17 0.49 0.43 -0.06 0.02 0.00 0.00 175.30 176.34 2yth s PHE 22 N -0.41 -0.47 -0.55 -0.53 0.40 -1.14 -5.03 117.98 110.25 2yth s PHE 22 Ca 0.04 1.15 0.01 0.00 -0.60 0.00 0.00 56.93 57.53 2yth s PHE 22 Cb -0.12 0.16 0.56 0.00 0.51 0.00 0.00 43.02 44.13 2yth s PHE 22 CO 0.02 -0.23 1.97 2.41 0.70 0.00 0.00 175.22 180.09 2yth n THR 23 N 2.90 3.39 -3.15 0.64 -1.04 -1.26 -4.12 114.28 111.64 2yth n THR 23 Ca -0.14 -2.38 0.04 0.00 -2.04 0.00 0.00 64.05 59.54 2yth n THR 23 Cb 0.57 -0.80 -0.01 0.00 -1.82 0.00 0.00 70.33 68.26 2yth n THR 23 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 2yth s GLN 24 N -3.52 0.46 0.33 -2.82 -0.21 -1.26 -5.03 119.66 107.62 2yth s GLN 24 Ca 0.60 0.77 0.11 0.00 0.02 0.00 0.00 55.36 56.86 2yth s GLN 24 Cb 0.49 0.42 1.00 0.00 1.00 0.00 0.00 33.01 35.92 2yth s GLN 24 CO 0.05 -0.56 1.61 -2.95 -2.12 0.00 0.00 175.29 171.33 2yth h ASN 25 N 7.97 0.10 0.03 5.90 -1.07 -1.97 0.33 115.58 126.87 2yth h ASN 25 Ca -0.18 0.24 0.00 0.00 0.07 0.00 0.00 56.30 56.43 2yth h ASN 25 Cb 1.17 0.29 -0.00 0.00 -2.07 0.00 0.00 38.32 37.71 2yth h ASN 25 CO 0.15 -0.29 -0.03 0.28 0.07 0.00 0.00 177.43 177.61 2yth h SER 26 N 0.12 -0.09 -1.00 6.14 0.02 -1.99 -2.19 113.55 114.55 2yth h SER 26 Ca 0.69 0.01 0.25 0.00 -0.84 0.00 0.00 61.79 61.90 2yth h SER 26 Cb 1.61 0.03 -0.13 0.00 0.14 0.00 0.00 62.40 64.06 2yth h SER 26 CO -0.74 -0.05 0.59 0.45 -1.14 0.00 0.00 176.83 175.93 2yth h HIS 27 N -0.07 1.01 0.55 3.45 3.86 -0.75 0.23 115.15 123.42 2yth h HIS 27 Ca 0.00 0.04 -0.03 0.00 -1.16 0.00 0.00 60.37 59.22 2yth h HIS 27 Cb 0.07 -0.29 0.01 0.00 1.06 0.00 0.00 27.41 28.26 2yth h HIS 27 CO -0.09 0.05 -0.26 1.25 0.86 0.00 0.00 177.93 179.73 2yth h LEU 28 N 0.56 -0.63 -0.55 2.43 5.85 -1.10 0.10 115.31 121.98 2yth h LEU 28 Ca 0.65 -0.04 0.11 0.00 0.84 0.00 0.00 57.88 59.44 2yth h LEU 28 Cb 1.25 0.16 -0.10 0.00 0.37 0.00 0.00 40.66 42.34 2yth h LEU 28 CO -0.49 -0.25 -0.13 0.45 -0.34 0.00 0.00 178.44 177.69 2yth h HIS 29 N -1.07 -0.27 0.00 1.25 3.86 -0.73 0.55 115.15 118.73 2yth h HIS 29 Ca -0.08 0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 2yth h HIS 29 Cb 0.63 0.21 0.00 0.00 1.06 0.00 0.00 27.41 29.31 2yth h HIS 29 CO 0.01 -0.23 0.00 0.66 0.86 0.00 0.00 177.93 179.23 2yth h SER 30 N 0.01 0.00 1.26 2.45 4.64 -1.02 -2.71 113.55 118.17 2yth h SER 30 Ca 0.26 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.50 2yth h SER 30 Cb 0.40 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.48 2yth h SER 30 CO -0.56 0.00 -0.77 -0.74 -0.87 0.00 0.00 176.83 173.89 2yth h HIS 31 N 0.00 0.00 0.00 4.77 -0.00 0.26 -3.29 115.15 116.88 2yth h HIS 31 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.35 2yth h HIS 31 Cb 0.54 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.95 2yth h HIS 31 CO 0.00 0.32 -0.09 1.96 -0.00 0.00 0.00 177.93 180.12 2yth h GLN 32 N 0.00 0.00 0.00 5.26 4.20 -0.21 -1.02 115.11 123.34 2yth h GLN 32 Ca -0.05 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.66 2yth h GLN 32 Cb 1.28 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.06 2yth h GLN 32 CO 0.03 0.09 -0.00 0.00 -0.67 0.00 0.00 178.83 178.28 2yth h ARG 33 N 0.00 0.00 -0.08 1.46 3.08 -1.69 -2.57 114.38 114.58 2yth h ARG 33 Ca -0.00 0.00 0.02 0.00 0.07 0.00 0.00 59.98 60.07 2yth h ARG 33 Cb 0.19 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 2yth h ARG 33 CO 0.01 0.00 0.20 -0.24 -1.07 0.00 0.00 179.97 178.88 2yth h VAL 34 N 0.00 0.17 -0.36 2.04 3.04 -1.40 0.34 116.25 120.09 2yth h VAL 34 Ca -0.00 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.69 2yth h VAL 34 Cb 0.31 0.82 -0.00 0.00 -2.01 0.00 0.00 31.29 30.41 2yth h VAL 34 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.57 177.97 2yth n HIS 35 N -3.27 1.29 -1.69 3.17 8.25 -0.97 -5.03 115.22 116.98 2yth n HIS 35 Ca -0.01 -0.84 -0.37 0.00 -0.26 0.00 0.00 57.72 56.24 2yth n HIS 35 Cb 0.29 -0.38 0.07 0.00 1.12 0.00 0.00 29.99 31.08 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 -0.19 4.60 0.00 1.59 5.66 0.12 -4.89 114.28 121.18 2yth n THR 36 Ca 0.24 -0.50 0.00 0.00 -3.05 0.00 0.00 64.05 60.74 2yth n THR 36 Cb 0.99 -1.38 0.00 0.00 -1.55 0.00 0.00 70.33 68.39 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 1.04 -0.52 3.73 1.09 0.00 -1.26 -5.12 105.19 104.16 2yth n GLY 37 Ca 0.15 0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 2yth n GLY 37 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2yth s GLU 38 N -1.83 4.72 0.18 1.61 2.12 -1.26 -5.05 118.70 119.20 2yth s GLU 38 Ca 0.00 1.48 -0.06 0.00 0.36 0.00 0.00 54.97 56.75 2yth s GLU 38 Cb 0.00 -3.35 -0.06 0.00 0.26 0.00 0.00 34.13 30.98 2yth s GLU 38 CO 0.00 0.27 0.45 -1.59 -0.54 0.00 0.00 175.26 173.84 2yth s LYS 39 N -0.28 3.68 0.00 4.30 0.00 -1.26 -5.05 119.74 121.13 2yth s LYS 39 Ca 0.46 0.04 -0.30 0.00 0.00 0.00 0.00 55.97 56.17 2yth s LYS 39 Cb -0.24 -2.76 -0.06 0.00 0.00 0.00 0.00 37.83 34.76 2yth s LYS 39 CO 0.31 0.40 1.45 -1.25 0.00 0.00 0.00 175.35 176.25 2yth s PRO 40 N -2.78 4.26 0.70 1.78 0.04 -1.26 -5.00 135.00 132.74 2yth s PRO 40 Ca 0.43 2.02 -0.14 0.00 0.04 0.00 0.00 61.00 63.35 2yth s PRO 40 Cb -0.12 -3.61 0.02 0.00 0.04 0.00 0.00 34.50 30.83 2yth s PRO 40 CO 0.24 -0.62 1.13 -1.54 0.04 0.00 0.00 177.00 176.25 2yth s SER 41 N 2.05 4.77 0.53 6.66 1.04 -1.26 -4.96 113.70 122.53 2yth s SER 41 Ca 0.66 2.06 -0.22 0.00 0.48 0.00 0.00 55.95 58.93 2yth s SER 41 Cb -0.32 -2.56 -0.06 0.00 0.10 0.00 0.00 66.02 63.18 2yth s SER 41 CO 0.27 -1.86 1.28 0.61 0.98 0.00 0.00 173.24 174.52 2yth n GLY 42 N -0.38 0.55 3.57 7.32 0.00 -1.26 -4.87 105.19 110.11 2yth n GLY 42 Ca 0.11 0.04 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 2yth n GLY 42 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yth s PRO 43 N -2.71 2.86 -0.46 1.61 0.04 -1.26 -4.93 135.00 130.16 2yth s PRO 43 Ca 0.70 0.83 0.02 0.00 0.04 0.00 0.00 61.00 62.59 2yth s PRO 43 Cb -0.44 -4.32 0.14 0.00 0.04 0.00 0.00 34.50 29.93 2yth s PRO 43 CO 0.51 -2.44 0.27 -1.12 0.04 0.00 0.00 177.00 174.26 2yth s SER 44 N 7.32 3.52 0.31 6.66 0.01 -1.26 -5.11 113.70 125.14 2yth s SER 44 Ca 0.70 -2.76 -0.27 0.00 1.31 0.00 0.00 55.95 54.92 2yth s SER 44 Cb -0.15 -1.01 -0.10 0.00 0.21 0.00 0.00 66.02 64.97 2yth s SER 44 CO 0.25 -0.24 0.95 -0.55 0.41 0.00 0.00 173.24 174.05 2yth s SER 45 N 0.19 7.40 0.00 2.44 0.15 -1.26 -5.27 113.70 117.34 2yth s SER 45 Ca 0.20 1.87 0.14 0.00 0.70 0.00 0.00 55.95 58.86 2yth s SER 45 Cb -0.20 -2.59 0.11 0.00 -1.71 0.00 0.00 66.02 61.64 2yth s SER 45 CO -0.03 -0.03 0.96 0.61 1.20 0.00 0.00 173.24 175.95