#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 3.57 0.04 1.61 0.01 -1.26 -5.11 113.70 112.55 2yth s SER 2 Ca 0.00 -1.99 -0.05 0.00 1.31 0.00 0.00 55.95 55.22 2yth s SER 2 Cb 0.00 -0.70 -0.01 0.00 0.21 0.00 0.00 66.02 65.51 2yth s SER 2 CO 0.00 -0.35 0.08 -0.44 0.41 0.00 0.00 173.24 172.94 2yth s SER 3 N 1.21 0.20 -0.04 2.44 0.01 -1.26 -5.16 113.70 111.11 2yth s SER 3 Ca 0.14 -0.55 0.01 0.00 1.31 0.00 0.00 55.95 56.85 2yth s SER 3 Cb -0.21 0.21 0.02 0.00 0.21 0.00 0.00 66.02 66.26 2yth s SER 3 CO -0.13 -0.49 -0.02 -0.83 0.41 0.00 0.00 173.24 172.18 2yth s GLY 4 N -2.10 0.32 -0.85 3.44 0.00 -1.26 -5.09 107.32 101.78 2yth s GLY 4 Ca -0.05 0.08 -0.10 0.00 0.00 0.00 0.00 44.72 44.65 2yth s GLY 4 CO -0.04 0.55 0.77 -0.45 0.00 0.00 0.00 173.10 173.93 2yth s SER 5 N 0.99 6.50 -0.24 1.64 0.15 -1.26 -4.82 113.70 116.66 2yth s SER 5 Ca -0.10 -3.01 -0.13 0.00 0.70 0.00 0.00 55.95 53.41 2yth s SER 5 Cb -0.14 -2.11 -0.16 0.00 -1.71 0.00 0.00 66.02 61.90 2yth s SER 5 CO -0.01 -0.44 -0.11 -1.54 1.20 0.00 0.00 173.24 172.34 2yth n SER 6 N 3.46 1.95 0.00 5.45 3.41 -1.26 -5.00 113.62 121.63 2yth n SER 6 Ca 0.15 0.28 0.00 0.00 -0.26 0.00 0.00 58.87 59.04 2yth n SER 6 Cb 0.43 -0.80 0.00 0.00 -0.26 0.00 0.00 64.21 63.58 2yth n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yth n GLY 7 N 1.52 0.98 4.06 5.00 0.00 -1.26 -4.81 105.19 110.69 2yth n GLY 7 Ca -0.45 0.39 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 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 5.85 -3.58 -2.76 1.61 7.64 -1.26 -3.46 113.62 117.67 2yth n SER 8 Ca 0.00 -0.89 -0.01 0.00 1.01 0.00 0.00 58.87 58.98 2yth n SER 8 Cb 0.00 -2.92 -0.01 0.00 -1.01 0.00 0.00 64.21 60.27 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 -1.39 -3.98 3.52 0.23 0.00 -1.26 -4.58 105.19 97.73 2yth n GLY 9 Ca 0.07 0.61 -0.27 0.00 0.00 0.00 0.00 46.02 46.43 2yth n GLY 9 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2yth n GLU 10 N 0.94 0.22 -1.63 1.61 -0.58 -1.22 -4.82 120.64 115.16 2yth n GLU 10 Ca -0.06 -0.16 -0.42 0.00 -0.42 0.00 0.00 57.16 56.10 2yth n GLU 10 Cb 0.14 -1.90 0.01 0.00 -0.57 0.00 0.00 31.44 29.12 2yth n GLU 10 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2yth n LYS 11 N 7.30 1.51 -0.07 3.49 4.76 -1.26 -4.92 118.16 128.95 2yth n LYS 11 Ca 0.60 0.54 -0.13 0.00 -2.87 0.00 0.00 58.31 56.45 2yth n LYS 11 Cb 0.21 -2.10 -0.06 0.00 -1.84 0.00 0.00 35.03 31.24 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 1.75 0.53 -6.21 1.97 0.13 -1.88 -3.42 132.00 124.88 2yth h PRO 12 Ca -0.45 -0.28 -0.58 0.00 -0.87 0.00 0.00 66.00 63.82 2yth h PRO 12 Cb 1.33 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 32.39 2yth h PRO 12 CO 0.58 0.86 0.76 -0.06 -0.23 0.00 0.00 178.00 179.92 2yth s PHE 13 N -4.34 3.15 -0.00 1.56 0.08 -1.26 -5.02 117.98 112.15 2yth s PHE 13 Ca -0.13 1.11 0.01 0.00 0.12 0.00 0.00 56.93 58.04 2yth s PHE 13 Cb 0.07 -3.62 -0.00 0.00 -0.57 0.00 0.00 43.02 38.90 2yth s PHE 13 CO 0.79 -0.74 -0.03 -0.65 -0.10 0.00 0.00 175.22 174.49 2yth s GLN 14 N 3.53 0.27 1.34 0.44 -0.21 -1.26 -2.65 119.66 121.13 2yth s GLN 14 Ca 0.43 -0.12 -0.22 0.00 0.02 0.00 0.00 55.36 55.46 2yth s GLN 14 Cb -0.12 -0.25 0.34 0.00 1.00 0.00 0.00 33.01 33.98 2yth s GLN 14 CO 0.15 0.07 0.78 0.00 -2.12 0.00 0.00 175.29 174.17 2yth n GLU 16 N -5.25 1.49 -0.02 0.00 4.07 -1.26 -3.48 120.64 116.19 2yth n GLU 16 Ca 0.12 -0.01 0.03 0.00 -0.06 0.00 0.00 57.16 57.24 2yth n GLU 16 Cb 0.54 -1.06 -0.14 0.00 -0.06 0.00 0.00 31.44 30.73 2yth n GLU 16 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 2yth n GLU 17 N -1.78 0.66 0.00 5.31 4.07 -1.26 -4.54 120.64 123.10 2yth n GLU 17 Ca -0.02 -0.04 0.00 0.00 -0.06 0.00 0.00 57.16 57.04 2yth n GLU 17 Cb 0.27 -1.60 0.00 0.00 -0.06 0.00 0.00 31.44 30.04 2yth n GLU 17 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2yth n GLY 19 N 1.14 -0.05 1.49 0.00 0.00 -1.23 -4.90 105.19 101.65 2yth n GLY 19 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.79 -3.25 -4.23 1.61 5.02 -1.26 -4.44 118.16 108.82 2yth n LYS 20 Ca -0.21 -0.67 -0.20 0.00 -2.02 0.00 0.00 58.31 55.21 2yth n LYS 20 Cb 0.65 -0.89 -0.12 0.00 -0.02 0.00 0.00 35.03 34.65 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 -3.90 0.98 -0.14 1.97 0.52 -1.26 -3.18 118.95 113.93 2yth s ARG 21 Ca 0.31 -1.11 -0.21 0.00 -0.52 0.00 0.00 55.73 54.21 2yth s ARG 21 Cb -0.05 -1.03 0.05 0.00 0.52 0.00 0.00 34.95 34.44 2yth s ARG 21 CO 0.26 0.22 0.53 -0.06 0.02 0.00 0.00 175.30 176.28 2yth s PHE 22 N -1.49 -0.54 -2.26 -0.53 0.40 -1.08 -5.02 117.98 107.45 2yth s PHE 22 Ca 0.04 1.19 0.28 0.00 -0.60 0.00 0.00 56.93 57.84 2yth s PHE 22 Cb -0.09 0.23 1.02 0.00 0.51 0.00 0.00 43.02 44.69 2yth s PHE 22 CO 0.03 -0.37 1.72 -2.37 0.70 0.00 0.00 175.22 174.93 2yth n THR 23 N 2.14 0.00 -3.91 0.64 5.66 -1.26 -4.29 114.28 113.26 2yth n THR 23 Ca -0.16 -0.20 -0.18 0.00 -3.05 0.00 0.00 64.05 60.46 2yth n THR 23 Cb 0.56 0.41 -0.16 0.00 -1.55 0.00 0.00 70.33 69.59 2yth n THR 23 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 175.07 170.44 2yth s GLN 24 N -2.14 0.33 0.13 1.09 2.00 -1.26 -5.05 119.66 114.76 2yth s GLN 24 Ca 0.35 0.09 -0.25 0.00 -2.00 0.00 0.00 55.36 53.55 2yth s GLN 24 Cb 0.21 -0.54 -0.03 0.00 0.80 0.00 0.00 33.01 33.44 2yth s GLN 24 CO 0.39 -0.16 1.64 -2.95 -0.50 0.00 0.00 175.29 173.71 2yth h ASN 25 N 7.42 -0.73 -0.61 6.67 -1.07 -1.98 -2.14 115.58 123.15 2yth h ASN 25 Ca -0.38 0.11 0.11 0.00 0.07 0.00 0.00 56.30 56.20 2yth h ASN 25 Cb 1.13 0.31 -0.08 0.00 -2.07 0.00 0.00 38.32 37.61 2yth h ASN 25 CO 0.43 -0.30 0.16 0.28 0.07 0.00 0.00 177.43 178.08 2yth h SER 26 N -0.34 0.07 -0.80 6.14 0.02 -1.99 -0.88 113.55 115.77 2yth h SER 26 Ca 0.08 0.10 0.19 0.00 -0.84 0.00 0.00 61.79 61.32 2yth h SER 26 Cb 0.46 0.13 -0.12 0.00 0.14 0.00 0.00 62.40 63.00 2yth h SER 26 CO -0.26 0.04 0.23 0.45 -1.14 0.00 0.00 176.83 176.16 2yth h HIS 27 N 0.30 0.36 0.32 3.45 3.86 -1.82 -0.98 115.15 120.65 2yth h HIS 27 Ca 0.32 0.04 -0.02 0.00 -1.16 0.00 0.00 60.37 59.56 2yth h HIS 27 Cb 0.46 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.90 2yth h HIS 27 CO -0.22 -0.10 -0.15 1.25 0.86 0.00 0.00 177.93 179.56 2yth h LEU 28 N 0.29 -0.36 -0.83 2.43 5.85 -0.94 -0.11 115.31 121.63 2yth h LEU 28 Ca 0.47 -0.15 0.20 0.00 0.84 0.00 0.00 57.88 59.25 2yth h LEU 28 Cb 0.85 0.09 -0.14 0.00 0.37 0.00 0.00 40.66 41.83 2yth h LEU 28 CO -0.55 -0.03 0.08 0.45 -0.34 0.00 0.00 178.44 178.05 2yth h HIS 29 N -0.72 0.07 -0.22 1.25 3.86 -0.67 0.11 115.15 118.83 2yth h HIS 29 Ca -0.04 0.06 -0.13 0.00 -1.16 0.00 0.00 60.37 59.09 2yth h HIS 29 Cb 0.49 0.10 0.00 0.00 1.06 0.00 0.00 27.41 29.06 2yth h HIS 29 CO 0.01 -0.26 -0.39 0.77 0.86 0.00 0.00 177.93 178.93 2yth h SER 30 N 0.13 0.73 -0.84 2.45 0.02 -1.17 -3.19 113.55 111.67 2yth h SER 30 Ca 0.48 -0.53 0.18 0.00 -0.84 0.00 0.00 61.79 61.08 2yth h SER 30 Cb 0.91 -0.21 -0.11 0.00 0.14 0.00 0.00 62.40 63.14 2yth h SER 30 CO -0.70 1.12 0.37 -0.74 -1.14 0.00 0.00 176.83 175.74 2yth h HIS 31 N 0.36 0.63 -1.23 3.45 6.17 0.11 0.11 115.15 124.75 2yth h HIS 31 Ca 0.01 0.04 0.37 0.00 0.71 0.00 0.00 60.37 61.51 2yth h HIS 31 Cb 0.98 -0.15 -0.11 0.00 2.52 0.00 0.00 27.41 30.65 2yth h HIS 31 CO 0.09 0.04 0.80 1.96 0.71 0.00 0.00 177.93 181.52 2yth h GLN 32 N 0.46 0.18 -0.96 5.26 4.20 -1.21 0.27 115.11 123.32 2yth h GLN 32 Ca 0.49 -0.01 0.28 0.00 0.06 0.00 0.00 58.65 59.48 2yth h GLN 32 Cb 0.83 -0.04 -0.14 0.00 0.30 0.00 0.00 27.48 28.43 2yth h GLN 32 CO -0.46 0.12 0.46 0.00 -0.67 0.00 0.00 178.83 178.28 2yth h ARG 33 N 0.19 0.31 -1.03 1.46 3.08 -0.94 0.53 114.38 117.98 2yth h ARG 33 Ca 0.73 -0.02 0.26 0.00 0.07 0.00 0.00 59.98 61.02 2yth h ARG 33 Cb 2.21 -0.07 -0.09 0.00 0.08 0.00 0.00 29.97 32.09 2yth h ARG 33 CO -0.35 0.20 0.66 -0.39 -1.07 0.00 0.00 179.97 179.02 2yth h VAL 34 N 0.32 0.55 0.00 2.04 -1.51 -0.62 0.72 116.25 117.74 2yth h VAL 34 Ca 0.66 -0.15 -0.09 0.00 -1.23 0.00 0.00 66.70 65.90 2yth h VAL 34 Cb 1.43 0.08 -0.01 0.00 -2.13 0.00 0.00 31.29 30.66 2yth h VAL 34 CO -0.61 0.08 -0.41 0.45 -1.23 0.00 0.00 177.57 175.85 2yth h HIS 35 N 0.43 0.00 -5.87 5.19 3.86 -0.09 -3.46 115.15 115.21 2yth h HIS 35 Ca 0.59 0.00 -0.29 0.00 -1.16 0.00 0.00 60.37 59.51 2yth h HIS 35 Cb 1.43 0.00 -0.16 0.00 1.06 0.00 0.00 27.41 29.74 2yth h HIS 35 CO -0.00 0.41 -0.42 0.25 0.86 0.00 0.00 177.93 179.02 2yth n THR 36 N -3.64 -0.14 -2.40 2.45 -2.24 0.25 -4.80 114.28 103.76 2yth n THR 36 Ca -0.01 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.50 2yth n THR 36 Cb 0.51 -0.46 0.00 0.00 -2.10 0.00 0.00 70.33 68.28 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 -0.80 6.05 3.24 3.38 0.00 -1.26 -5.01 105.19 110.78 2yth n GLY 37 Ca 0.04 -2.75 -0.34 0.00 0.00 0.00 0.00 46.02 42.97 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 -3.56 3.21 0.18 1.61 2.02 -1.26 -5.11 118.70 115.78 2yth s GLU 38 Ca 0.49 -0.72 -0.19 0.00 0.02 0.00 0.00 54.97 54.57 2yth s GLU 38 Cb 0.40 -2.85 -0.08 0.00 0.10 0.00 0.00 34.13 31.71 2yth s GLU 38 CO -0.16 -0.21 0.67 -1.59 0.02 0.00 0.00 175.26 173.99 2yth s LYS 39 N 1.40 4.22 0.33 1.61 -2.85 -1.26 -4.98 119.74 118.22 2yth s LYS 39 Ca 0.05 0.81 0.12 0.00 -1.00 0.00 0.00 55.97 55.95 2yth s LYS 39 Cb -0.14 -2.98 0.57 0.00 -2.06 0.00 0.00 37.83 33.22 2yth s LYS 39 CO -0.07 0.47 1.73 -1.00 0.10 0.00 0.00 175.35 176.58 2yth h PRO 40 N 3.71 0.00 -1.46 1.78 0.13 -2.05 -3.45 132.00 130.66 2yth h PRO 40 Ca -0.48 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 64.77 2yth h PRO 40 Cb 1.20 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.05 2yth h PRO 40 CO 0.65 0.47 0.45 -1.54 -0.23 0.00 0.00 178.00 177.80 2yth s SER 41 N -6.86 -0.43 0.67 1.44 1.04 -1.26 -5.18 113.70 103.11 2yth s SER 41 Ca -0.02 0.70 0.03 0.00 0.48 0.00 0.00 55.95 57.14 2yth s SER 41 Cb 0.13 1.16 0.12 0.00 0.10 0.00 0.00 66.02 67.53 2yth s SER 41 CO 0.74 -0.11 0.89 0.61 0.98 0.00 0.00 173.24 176.34 2yth n GLY 42 N 3.54 1.06 3.69 7.32 0.00 -1.26 -5.10 105.19 114.45 2yth n GLY 42 Ca -0.18 -2.09 -0.29 0.00 0.00 0.00 0.00 46.02 43.46 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 -4.81 0.79 0.16 1.61 0.04 -1.26 -4.95 135.00 126.57 2yth s PRO 43 Ca 0.61 0.65 -0.22 0.00 0.04 0.00 0.00 61.00 62.08 2yth s PRO 43 Cb -0.04 -1.77 0.04 0.00 0.04 0.00 0.00 34.50 32.78 2yth s PRO 43 CO 0.40 -2.52 1.62 0.77 0.04 0.00 0.00 177.00 177.31 2yth h SER 44 N -1.74 -0.88 -3.66 6.66 0.02 -2.09 -3.41 113.55 108.45 2yth h SER 44 Ca -0.52 0.16 -0.48 0.00 -0.84 0.00 0.00 61.79 60.11 2yth h SER 44 Cb 1.31 0.41 0.05 0.00 0.14 0.00 0.00 62.40 64.31 2yth h SER 44 CO 0.56 -0.29 0.17 -0.94 -1.14 0.00 0.00 176.83 175.19 2yth s SER 45 N -5.05 5.78 0.00 3.07 1.04 -1.26 -5.32 113.70 111.96 2yth s SER 45 Ca -0.15 0.79 0.00 0.00 0.48 0.00 0.00 55.95 57.07 2yth s SER 45 Cb 0.13 -1.86 0.00 0.00 0.10 0.00 0.00 66.02 64.38 2yth s SER 45 CO 0.68 -0.94 0.41 0.61 0.98 0.00 0.00 173.24 174.98