#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 1.86 0.23 1.61 0.15 -1.26 -5.11 113.70 111.18 2yth s SER 2 Ca 0.00 -1.16 -0.32 0.00 0.70 0.00 0.00 55.95 55.17 2yth s SER 2 Cb 0.00 -0.00 -0.13 0.00 -1.71 0.00 0.00 66.02 64.18 2yth s SER 2 CO 0.00 -0.45 1.49 -0.24 1.20 0.00 0.00 173.24 175.24 2yth n SER 3 N -0.36 3.05 -2.74 5.45 2.88 -1.26 -4.10 113.62 116.53 2yth n SER 3 Ca -0.06 1.13 -0.04 0.00 -1.33 0.00 0.00 58.87 58.56 2yth n SER 3 Cb 0.63 -1.46 -0.03 0.00 -0.75 0.00 0.00 64.21 62.60 2yth n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yth n GLY 4 N 2.54 -3.84 3.60 0.46 0.00 -1.26 -4.90 105.19 101.79 2yth n GLY 4 Ca 0.13 1.21 -0.42 0.00 0.00 0.00 0.00 46.02 46.94 2yth n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yth s SER 5 N -0.68 6.59 -0.11 1.61 0.01 -1.26 -5.02 113.70 114.84 2yth s SER 5 Ca -0.18 0.54 -0.27 0.00 1.31 0.00 0.00 55.95 57.34 2yth s SER 5 Cb 0.01 -2.38 0.06 0.00 0.21 0.00 0.00 66.02 63.93 2yth s SER 5 CO 0.60 -0.57 0.65 -0.55 0.41 0.00 0.00 173.24 173.78 2yth s SER 6 N 1.64 -0.64 0.34 2.44 0.15 -1.26 -5.14 113.70 111.23 2yth s SER 6 Ca 0.29 0.87 -0.23 0.00 0.70 0.00 0.00 55.95 57.59 2yth s SER 6 Cb -0.14 0.79 -0.16 0.00 -1.71 0.00 0.00 66.02 64.80 2yth s SER 6 CO 0.13 -0.48 0.22 0.61 1.20 0.00 0.00 173.24 174.92 2yth n GLY 7 N 1.51 -2.41 2.87 9.45 0.00 -1.26 -4.97 105.19 110.39 2yth n GLY 7 Ca -0.18 0.10 -0.22 0.00 0.00 0.00 0.00 46.02 45.72 2yth n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yth s SER 8 N -0.99 1.38 -0.20 1.61 1.04 -1.26 -5.13 113.70 110.14 2yth s SER 8 Ca 0.60 -0.16 -0.07 0.00 0.48 0.00 0.00 55.95 56.81 2yth s SER 8 Cb -0.72 -0.54 -0.04 0.00 0.10 0.00 0.00 66.02 64.82 2yth s SER 8 CO 0.60 -0.09 0.05 -0.83 0.98 0.00 0.00 173.24 173.95 2yth s GLY 9 N 1.30 1.83 -0.24 7.32 0.00 -1.26 -4.99 107.32 111.28 2yth s GLY 9 Ca -0.05 -0.88 -0.16 0.00 0.00 0.00 0.00 44.72 43.64 2yth s GLY 9 CO -0.02 0.19 -0.21 1.18 0.00 0.00 0.00 173.10 174.23 2yth n GLU 10 N 3.97 0.56 -2.19 2.90 4.71 -1.26 -4.96 120.64 124.37 2yth n GLU 10 Ca -0.16 0.35 -0.38 0.00 -0.01 0.00 0.00 57.16 56.95 2yth n GLU 10 Cb 0.52 -1.55 -0.01 0.00 -1.01 0.00 0.00 31.44 29.38 2yth n GLU 10 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 2yth s LYS 11 N -2.52 3.92 0.22 3.49 3.01 -1.26 -4.95 119.74 121.65 2yth s LYS 11 Ca -0.33 1.93 -0.02 0.00 -1.01 0.00 0.00 55.97 56.54 2yth s LYS 11 Cb 0.10 -2.62 0.19 0.00 -1.01 0.00 0.00 37.83 34.49 2yth s LYS 11 CO 0.48 -0.46 1.57 -1.00 0.51 0.00 0.00 175.35 176.46 2yth h PRO 12 N 2.47 0.57 -6.14 -1.68 0.13 -1.93 -3.40 132.00 122.02 2yth h PRO 12 Ca -0.49 -0.30 -0.59 0.00 -0.87 0.00 0.00 66.00 63.75 2yth h PRO 12 Cb 1.24 0.01 -0.10 0.00 0.13 0.00 0.00 31.00 32.29 2yth h PRO 12 CO 0.62 0.89 1.36 -0.06 -0.23 0.00 0.00 178.00 180.57 2yth s PHE 13 N -4.20 2.48 -0.05 1.56 0.08 -1.26 -4.98 117.98 111.61 2yth s PHE 13 Ca -0.07 -0.64 0.03 0.00 0.12 0.00 0.00 56.93 56.37 2yth s PHE 13 Cb 0.12 -4.67 -0.03 0.00 -0.57 0.00 0.00 43.02 37.88 2yth s PHE 13 CO 0.83 -1.96 -0.13 -0.65 -0.10 0.00 0.00 175.22 173.20 2yth s GLN 14 N 5.12 2.51 1.29 0.44 -0.21 -1.26 -3.38 119.66 124.16 2yth s GLN 14 Ca 0.43 -0.69 -0.19 0.00 0.02 0.00 0.00 55.36 54.92 2yth s GLN 14 Cb -0.02 -2.40 0.32 0.00 1.00 0.00 0.00 33.01 31.91 2yth s GLN 14 CO -0.03 0.62 1.02 0.00 -2.12 0.00 0.00 175.29 174.78 2yth n GLU 16 N -5.15 1.53 -0.04 0.00 4.71 -1.26 -3.42 120.64 117.01 2yth n GLU 16 Ca 0.11 -0.02 -0.07 0.00 -0.01 0.00 0.00 57.16 57.18 2yth n GLU 16 Cb 0.59 -1.07 -0.14 0.00 -1.01 0.00 0.00 31.44 29.81 2yth n GLU 16 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 2yth n GLU 17 N -1.80 0.65 0.00 3.49 2.13 -1.26 -4.53 120.64 119.32 2yth n GLU 17 Ca -0.02 0.14 0.00 0.00 0.66 0.00 0.00 57.16 57.94 2yth n GLU 17 Cb 0.28 -1.67 0.00 0.00 0.27 0.00 0.00 31.44 30.32 2yth n GLU 17 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2yth n GLY 19 N 0.02 0.15 1.69 0.00 0.00 -1.22 -4.87 105.19 100.95 2yth n GLY 19 Ca 0.00 0.85 -0.11 0.00 0.00 0.00 0.00 46.02 46.76 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 -0.09 1.10 -5.26 1.61 5.02 -1.26 -4.68 118.16 114.59 2yth n LYS 20 Ca -0.07 -1.51 -0.31 0.00 -2.02 0.00 0.00 58.31 54.41 2yth n LYS 20 Cb 0.51 0.13 -0.16 0.00 -0.02 0.00 0.00 35.03 35.50 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 -3.02 2.45 -0.15 1.97 0.52 -1.26 -3.49 118.95 115.97 2yth s ARG 21 Ca 0.15 -0.90 -0.05 0.00 -0.52 0.00 0.00 55.73 54.41 2yth s ARG 21 Cb -0.01 -2.14 0.07 0.00 0.52 0.00 0.00 34.95 33.39 2yth s ARG 21 CO 0.10 0.43 0.27 -0.06 0.02 0.00 0.00 175.30 176.06 2yth s PHE 22 N -0.28 -0.45 0.25 -0.53 0.40 -1.22 -5.03 117.98 111.12 2yth s PHE 22 Ca 0.00 0.89 -0.04 0.00 -0.60 0.00 0.00 56.93 57.18 2yth s PHE 22 Cb -0.13 -0.06 0.46 0.00 0.51 0.00 0.00 43.02 43.80 2yth s PHE 22 CO 0.02 -0.42 1.76 1.79 0.70 0.00 0.00 175.22 179.07 2yth h THR 23 N 6.28 0.74 -3.37 0.64 1.35 -1.98 -3.41 112.91 113.16 2yth h THR 23 Ca -0.15 -0.19 -0.66 0.00 -0.55 0.00 0.00 66.41 64.85 2yth h THR 23 Cb 1.12 0.13 -0.14 0.00 -1.73 0.00 0.00 68.15 67.53 2yth h THR 23 CO 0.16 0.10 -0.65 -1.10 -0.25 0.00 0.00 175.52 173.79 2yth s GLN 24 N -6.01 2.75 0.13 4.72 1.11 -1.26 -4.97 119.66 116.13 2yth s GLN 24 Ca -0.12 -0.64 -0.15 0.00 0.01 0.00 0.00 55.36 54.45 2yth s GLN 24 Cb 0.20 -2.65 -0.01 0.00 -1.01 0.00 0.00 33.01 29.54 2yth s GLN 24 CO 0.77 0.61 1.60 -0.97 0.01 0.00 0.00 175.29 177.31 2yth h ASN 25 N 4.23 0.66 -0.95 5.90 -0.73 -1.97 -2.98 115.58 119.74 2yth h ASN 25 Ca -0.49 -0.27 0.29 0.00 1.87 0.00 0.00 56.30 57.71 2yth h ASN 25 Cb 1.17 -0.18 -0.16 0.00 0.27 0.00 0.00 38.32 39.43 2yth h ASN 25 CO 0.58 0.77 0.35 0.77 -0.37 0.00 0.00 177.43 179.52 2yth h SER 26 N 0.53 0.13 -0.47 1.15 4.64 -1.96 0.39 113.55 117.97 2yth h SER 26 Ca 0.12 0.22 0.07 0.00 -0.47 0.00 0.00 61.79 61.73 2yth h SER 26 Cb 0.39 0.26 -0.06 0.00 -0.31 0.00 0.00 62.40 62.68 2yth h SER 26 CO 0.01 -0.22 0.11 -0.74 -0.87 0.00 0.00 176.83 175.12 2yth h HIS 27 N 0.18 0.18 -0.02 4.77 -0.00 -1.92 -2.36 115.15 115.98 2yth h HIS 27 Ca 0.66 0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 61.05 2yth h HIS 27 Cb 1.46 -0.01 -0.00 0.00 -0.00 0.00 0.00 27.41 28.86 2yth h HIS 27 CO -0.19 0.02 0.01 1.25 -0.00 0.00 0.00 177.93 179.03 2yth h LEU 28 N 0.25 0.03 -0.63 0.26 5.85 -0.34 0.32 115.31 121.04 2yth h LEU 28 Ca 0.23 -0.04 0.08 0.00 0.84 0.00 0.00 57.88 58.99 2yth h LEU 28 Cb 0.29 -0.01 -0.10 0.00 0.37 0.00 0.00 40.66 41.21 2yth h LEU 28 CO -0.29 0.06 -0.51 0.45 -0.34 0.00 0.00 178.44 177.81 2yth h HIS 29 N -0.01 -1.55 -0.26 1.25 3.86 -0.89 0.35 115.15 117.91 2yth h HIS 29 Ca 0.01 0.09 -0.10 0.00 -1.16 0.00 0.00 60.37 59.22 2yth h HIS 29 Cb 0.03 0.76 -0.00 0.00 1.06 0.00 0.00 27.41 29.26 2yth h HIS 29 CO -0.06 -0.43 -0.21 1.03 0.86 0.00 0.00 177.93 179.11 2yth h SER 30 N -0.23 0.64 -0.93 2.45 0.87 -1.39 -3.03 113.55 111.92 2yth h SER 30 Ca 0.15 -0.46 0.22 0.00 -1.23 0.00 0.00 61.79 60.47 2yth h SER 30 Cb 0.54 -0.18 -0.07 0.00 -0.44 0.00 0.00 62.40 62.26 2yth h SER 30 CO -0.73 0.96 0.62 -0.74 -0.53 0.00 0.00 176.83 176.41 2yth h HIS 31 N 0.32 0.55 -0.81 2.24 -0.00 0.74 0.02 115.15 118.22 2yth h HIS 31 Ca 0.05 0.02 0.14 0.00 -0.00 0.00 0.00 60.37 60.58 2yth h HIS 31 Cb 0.76 -0.17 -0.09 0.00 -0.00 0.00 0.00 27.41 27.91 2yth h HIS 31 CO 0.07 0.13 0.38 1.96 -0.00 0.00 0.00 177.93 180.47 2yth h GLN 32 N 0.40 0.54 -0.25 5.26 1.08 -0.22 0.28 115.11 122.20 2yth h GLN 32 Ca 0.49 -0.03 0.07 0.00 -1.45 0.00 0.00 58.65 57.73 2yth h GLN 32 Cb 1.25 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 28.54 2yth h GLN 32 CO -0.19 0.36 0.31 0.00 -0.95 0.00 0.00 178.83 178.36 2yth h ARG 33 N 0.56 0.00 0.00 1.46 3.08 -1.12 0.48 114.38 118.84 2yth h ARG 33 Ca 0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.49 2yth h ARG 33 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.68 2yth h ARG 33 CO -0.37 0.00 0.16 0.28 -1.07 0.00 0.00 179.97 178.97 2yth h VAL 34 N 0.00 0.00 0.00 2.04 2.07 -0.52 0.11 116.25 119.95 2yth h VAL 34 Ca 0.12 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 67.46 2yth h VAL 34 Cb 0.74 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 2yth h VAL 34 CO -0.00 0.00 -1.82 1.41 0.02 0.00 0.00 177.57 177.18 2yth n HIS 35 N -2.98 0.48 -3.11 1.57 8.25 0.16 -4.95 115.22 114.64 2yth n HIS 35 Ca -0.03 0.16 -0.21 0.00 -0.26 0.00 0.00 57.72 57.39 2yth n HIS 35 Cb 0.22 -0.93 -0.04 0.00 1.12 0.00 0.00 29.99 30.36 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 -2.70 0.00 -0.30 1.59 -2.24 0.39 -4.71 114.28 106.31 2yth n THR 36 Ca -0.15 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.75 2yth n THR 36 Cb 0.86 -0.24 0.29 0.00 -2.10 0.00 0.00 70.33 69.14 2yth n THR 36 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2yth h GLY 37 N -0.42 1.42 -3.59 3.38 0.00 -1.86 -0.65 103.07 101.35 2yth h GLY 37 Ca -0.29 -0.12 -0.10 0.00 0.00 0.00 0.00 47.33 46.82 2yth h GLY 37 CO 0.44 -0.28 -0.19 -1.84 0.00 0.00 0.00 176.54 174.67 2yth n GLU 38 N -5.10 1.47 -4.60 4.80 -0.00 -1.26 -4.79 120.64 111.16 2yth n GLU 38 Ca 0.21 -0.52 -0.30 0.00 -0.00 0.00 0.00 57.16 56.55 2yth n GLU 38 Cb 0.63 -1.54 -0.17 0.00 -0.00 0.00 0.00 31.44 30.37 2yth n GLU 38 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.13 177.34 2yth s LYS 39 N 0.64 2.48 0.02 3.44 2.20 -0.25 -5.03 119.74 123.24 2yth s LYS 39 Ca 0.35 -0.66 -0.22 0.00 -0.36 0.00 0.00 55.97 55.08 2yth s LYS 39 Cb 0.17 -2.04 -0.16 0.00 -1.51 0.00 0.00 37.83 34.28 2yth s LYS 39 CO 0.00 -0.02 1.33 -1.00 -0.36 0.00 0.00 175.35 175.30 2yth h PRO 40 N 7.29 0.27 -2.67 4.03 0.13 -1.88 -3.47 132.00 135.71 2yth h PRO 40 Ca -0.30 -0.14 -0.09 0.00 -0.87 0.00 0.00 66.00 64.60 2yth h PRO 40 Cb 1.19 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.13 2yth h PRO 40 CO 0.50 0.68 -0.06 -1.54 -0.23 0.00 0.00 178.00 177.35 2yth s SER 41 N -6.02 -0.39 0.00 1.44 1.04 -1.26 -5.18 113.70 103.33 2yth s SER 41 Ca -0.15 0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.57 2yth s SER 41 Cb 0.04 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.59 2yth s SER 41 CO 0.73 -0.57 0.00 0.61 0.98 0.00 0.00 173.24 175.00 2yth n GLY 42 N 0.94 5.20 0.25 7.32 0.00 -1.26 -5.05 105.19 112.58 2yth n GLY 42 Ca -0.20 -2.12 -0.13 0.00 0.00 0.00 0.00 46.02 43.57 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 0.89 -6.33 1.61 0.13 -2.02 -3.47 132.00 122.80 2yth h PRO 43 Ca 0.00 -0.47 -0.48 0.00 -0.87 0.00 0.00 66.00 64.18 2yth h PRO 43 Cb 0.00 0.02 -0.04 0.00 0.13 0.00 0.00 31.00 31.10 2yth h PRO 43 CO 0.00 1.12 -0.78 0.45 -0.23 0.00 0.00 178.00 178.55 2yth n SER 44 N -4.11 -3.85 -0.13 1.44 2.88 -1.26 -4.89 113.62 103.70 2yth n SER 44 Ca -0.03 -0.82 -0.27 0.00 -1.33 0.00 0.00 58.87 56.42 2yth n SER 44 Cb 0.53 -3.74 -0.11 0.00 -0.75 0.00 0.00 64.21 60.14 2yth n SER 44 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2yth n SER 45 N -2.86 1.96 0.00 -3.46 2.88 -1.26 -5.34 113.62 105.54 2yth n SER 45 Ca -0.02 0.26 0.00 0.00 -1.33 0.00 0.00 58.87 57.78 2yth n SER 45 Cb 0.55 -0.76 0.00 0.00 -0.75 0.00 0.00 64.21 63.25 2yth n SER 45 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42