#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 5.92 -0.09 1.61 0.15 -1.26 -4.90 113.70 115.14 2yth s SER 2 Ca 0.00 -3.43 -0.02 0.00 0.70 0.00 0.00 55.95 53.20 2yth s SER 2 Cb 0.00 -1.93 -0.01 0.00 -1.71 0.00 0.00 66.02 62.37 2yth s SER 2 CO 0.00 -0.26 -0.03 -1.28 1.20 0.00 0.00 173.24 172.87 2yth h SER 3 N 6.42 0.00 0.00 5.45 0.87 -2.12 -3.49 113.55 120.69 2yth h SER 3 Ca 0.11 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 2yth h SER 3 Cb 0.87 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.83 2yth h SER 3 CO 0.82 0.46 0.00 0.61 -0.53 0.00 0.00 176.83 178.19 2yth n GLY 4 N 1.78 1.54 4.25 5.77 0.00 -1.26 -4.66 105.19 112.61 2yth n GLY 4 Ca -0.01 -1.65 -0.37 0.00 0.00 0.00 0.00 46.02 43.98 2yth n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2yth n SER 5 N 0.00 -1.24 -4.69 1.61 7.64 -1.26 -4.89 113.62 110.80 2yth n SER 5 Ca 0.00 -1.14 -0.34 0.00 1.01 0.00 0.00 58.87 58.40 2yth n SER 5 Cb 0.00 -1.45 -0.09 0.00 -1.01 0.00 0.00 64.21 61.65 2yth n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2yth s SER 6 N -3.25 5.22 0.00 6.43 0.01 -1.26 -4.86 113.70 115.99 2yth s SER 6 Ca 0.64 0.10 0.00 0.00 1.31 0.00 0.00 55.95 58.00 2yth s SER 6 Cb -0.37 -1.44 0.00 0.00 0.21 0.00 0.00 66.02 64.42 2yth s SER 6 CO 0.93 0.35 0.00 0.61 0.41 0.00 0.00 173.24 175.54 2yth n GLY 7 N 1.88 0.64 0.12 3.44 0.00 -1.26 -5.07 105.19 104.94 2yth n GLY 7 Ca -0.17 -0.73 -0.21 0.00 0.00 0.00 0.00 46.02 44.91 2yth n GLY 7 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2yth h SER 8 N 0.00 0.30 0.00 1.61 0.87 -2.02 -3.44 113.55 110.86 2yth h SER 8 Ca 0.00 -0.82 -0.03 0.00 -1.23 0.00 0.00 61.79 59.71 2yth h SER 8 Cb 0.00 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 61.86 2yth h SER 8 CO 0.00 1.55 -0.78 0.61 -0.53 0.00 0.00 176.83 177.69 2yth n GLY 9 N 1.69 -0.36 3.71 5.77 0.00 -1.26 -4.96 105.19 109.78 2yth n GLY 9 Ca -0.25 -0.20 -0.30 0.00 0.00 0.00 0.00 46.02 45.27 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 -4.10 -0.81 -1.26 1.61 0.00 -1.26 -4.65 120.64 110.17 2yth n GLU 10 Ca -0.12 0.10 -0.48 0.00 0.00 0.00 0.00 57.16 56.66 2yth n GLU 10 Cb 0.38 -3.28 -0.06 0.00 0.00 0.00 0.00 31.44 28.48 2yth n GLU 10 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2yth n LYS 11 N -3.13 0.00 0.14 5.31 5.02 -1.26 -4.83 118.16 119.41 2yth n LYS 11 Ca 0.04 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.33 2yth n LYS 11 Cb 0.35 -1.16 0.25 0.00 -0.02 0.00 0.00 35.03 34.45 2yth n LYS 11 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 2yth h PRO 12 N 2.07 0.06 -6.03 1.97 0.13 -1.83 -3.41 132.00 124.96 2yth h PRO 12 Ca -0.38 -0.03 -0.61 0.00 -0.87 0.00 0.00 66.00 64.11 2yth h PRO 12 Cb 1.23 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.25 2yth h PRO 12 CO 0.54 0.53 0.54 -0.06 -0.23 0.00 0.00 178.00 179.32 2yth s PHE 13 N -3.95 2.90 -0.05 1.56 0.08 -1.26 -5.01 117.98 112.25 2yth s PHE 13 Ca -0.03 0.26 -0.03 0.00 0.12 0.00 0.00 56.93 57.25 2yth s PHE 13 Cb 0.13 -3.95 0.03 0.00 -0.57 0.00 0.00 43.02 38.66 2yth s PHE 13 CO 0.75 -1.14 0.13 -0.65 -0.10 0.00 0.00 175.22 174.21 2yth s GLN 14 N 3.73 0.10 1.24 0.44 -0.21 -1.26 -1.99 119.66 121.71 2yth s GLN 14 Ca 0.34 0.28 -0.18 0.00 0.02 0.00 0.00 55.36 55.82 2yth s GLN 14 Cb -0.11 -0.09 0.26 0.00 1.00 0.00 0.00 33.01 34.08 2yth s GLN 14 CO 0.24 -0.11 0.60 0.00 -2.12 0.00 0.00 175.29 173.91 2yth n GLU 16 N -3.93 1.51 0.01 0.00 2.13 -1.26 -3.32 120.64 115.78 2yth n GLU 16 Ca 0.07 -0.02 0.07 0.00 0.66 0.00 0.00 57.16 57.93 2yth n GLU 16 Cb 0.53 -1.10 -0.12 0.00 0.27 0.00 0.00 31.44 31.02 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 -1.85 0.65 0.00 5.31 1.02 -1.26 -4.46 120.64 120.04 2yth n GLU 17 Ca -0.03 -0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 2yth n GLU 17 Cb 0.33 -1.63 0.00 0.00 -0.02 0.00 0.00 31.44 30.12 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 -0.01 -0.81 1.85 0.00 0.00 -1.21 -4.87 105.19 100.15 2yth n GLY 19 Ca 0.00 0.48 -0.10 0.00 0.00 0.00 0.00 46.02 46.41 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 -1.80 0.71 -4.91 1.61 5.02 -1.26 -4.73 118.16 112.80 2yth n LYS 20 Ca -0.21 -1.45 -0.28 0.00 -2.02 0.00 0.00 58.31 54.34 2yth n LYS 20 Cb 0.50 -0.15 -0.17 0.00 -0.02 0.00 0.00 35.03 35.19 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 -3.33 2.38 0.02 1.97 0.52 -1.26 -3.55 118.95 115.71 2yth s ARG 21 Ca 0.29 -0.65 0.00 0.00 -0.52 0.00 0.00 55.73 54.85 2yth s ARG 21 Cb -0.02 -1.86 -0.02 0.00 0.52 0.00 0.00 34.95 33.57 2yth s ARG 21 CO 0.19 0.11 -0.04 -0.06 0.02 0.00 0.00 175.30 175.52 2yth s PHE 22 N 0.48 0.32 -0.10 -0.53 0.08 -0.84 -5.03 117.98 112.35 2yth s PHE 22 Ca -0.16 -0.45 0.07 0.00 0.12 0.00 0.00 56.93 56.51 2yth s PHE 22 Cb -0.17 -0.21 -0.24 0.00 -0.57 0.00 0.00 43.02 41.83 2yth s PHE 22 CO 0.06 -0.14 0.42 0.25 -0.10 0.00 0.00 175.22 175.72 2yth n THR 23 N 1.78 1.62 -4.39 0.64 -2.24 -1.26 -4.24 114.28 106.19 2yth n THR 23 Ca -0.22 -0.75 -0.34 0.00 -2.27 0.00 0.00 64.05 60.47 2yth n THR 23 Cb 0.56 -1.18 -0.11 0.00 -2.10 0.00 0.00 70.33 67.49 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 -2.57 3.46 0.33 -0.78 -1.52 -1.26 -5.00 119.66 112.32 2yth s GLN 24 Ca -0.13 -0.48 0.06 0.00 -1.95 0.00 0.00 55.36 52.85 2yth s GLN 24 Cb 0.07 -2.88 0.71 0.00 -0.22 0.00 0.00 33.01 30.70 2yth s GLN 24 CO 0.79 0.39 1.87 -2.95 -0.25 0.00 0.00 175.29 175.14 2yth h ASN 25 N 6.22 0.75 -0.29 5.90 7.08 -1.99 -1.69 115.58 131.55 2yth h ASN 25 Ca -0.38 0.03 0.01 0.00 -3.08 0.00 0.00 56.30 52.89 2yth h ASN 25 Cb 1.19 -0.12 -0.02 0.00 -2.08 0.00 0.00 38.32 37.29 2yth h ASN 25 CO 0.61 0.41 0.17 -1.28 -2.08 0.00 0.00 177.43 175.25 2yth h SER 26 N 0.81 0.27 -0.63 6.14 0.87 -1.99 -1.95 113.55 117.06 2yth h SER 26 Ca 0.44 0.00 0.13 0.00 -1.23 0.00 0.00 61.79 61.14 2yth h SER 26 Cb 0.56 -0.05 -0.11 0.00 -0.44 0.00 0.00 62.40 62.35 2yth h SER 26 CO -0.20 0.20 -0.06 0.45 -0.53 0.00 0.00 176.83 176.69 2yth h HIS 27 N 0.34 -0.15 0.63 2.24 3.86 -1.73 0.17 115.15 120.51 2yth h HIS 27 Ca 0.12 0.05 -0.03 0.00 -1.16 0.00 0.00 60.37 59.34 2yth h HIS 27 Cb 0.00 0.16 0.01 0.00 1.06 0.00 0.00 27.41 28.65 2yth h HIS 27 CO -0.08 -0.21 -0.30 1.25 0.86 0.00 0.00 177.93 179.45 2yth h LEU 28 N 0.07 -0.71 -0.78 2.43 5.85 -1.42 0.36 115.31 121.11 2yth h LEU 28 Ca 0.32 0.02 0.15 0.00 0.84 0.00 0.00 57.88 59.22 2yth h LEU 28 Cb 0.52 0.18 -0.15 0.00 0.37 0.00 0.00 40.66 41.59 2yth h LEU 28 CO -0.59 -0.45 -0.23 0.45 -0.34 0.00 0.00 178.44 177.29 2yth h HIS 29 N -0.96 -0.53 0.00 1.25 3.86 -1.02 1.08 115.15 118.84 2yth h HIS 29 Ca -0.09 0.07 -0.03 0.00 -1.16 0.00 0.00 60.37 59.17 2yth h HIS 29 Cb 0.64 0.35 -0.00 0.00 1.06 0.00 0.00 27.41 29.46 2yth h HIS 29 CO 0.05 -0.35 -0.15 0.77 0.86 0.00 0.00 177.93 179.11 2yth h SER 30 N -0.02 0.00 -0.06 2.45 0.02 -0.67 -3.11 113.55 112.16 2yth h SER 30 Ca 0.36 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 61.15 2yth h SER 30 Cb 0.58 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.13 2yth h SER 30 CO -0.81 0.15 -0.56 -0.74 -1.14 0.00 0.00 176.83 173.73 2yth h HIS 31 N 0.00 0.68 0.00 3.45 -0.00 0.53 -3.12 115.15 116.70 2yth h HIS 31 Ca -0.00 -0.33 0.00 0.00 -0.00 0.00 0.00 60.37 60.04 2yth h HIS 31 Cb 0.70 -0.10 0.00 0.00 -0.00 0.00 0.00 27.41 28.02 2yth h HIS 31 CO 0.00 1.12 0.55 1.96 -0.00 0.00 0.00 177.93 181.57 2yth h GLN 32 N 0.05 0.00 -0.52 5.26 4.20 -0.37 0.22 115.11 123.94 2yth h GLN 32 Ca -0.05 0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.73 2yth h GLN 32 Cb 1.23 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.98 2yth h GLN 32 CO 0.11 0.00 0.35 0.00 -0.67 0.00 0.00 178.83 178.63 2yth h ARG 33 N 0.00 0.39 0.00 1.46 3.08 -1.68 0.27 114.38 117.90 2yth h ARG 33 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 2yth h ARG 33 Cb 1.11 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 31.07 2yth h ARG 33 CO 0.00 0.26 0.13 -0.39 -1.07 0.00 0.00 179.97 178.90 2yth h VAL 34 N 0.40 0.00 -0.65 2.04 -1.51 -0.79 0.28 116.25 116.01 2yth h VAL 34 Ca 0.23 0.00 -0.10 0.00 -1.23 0.00 0.00 66.70 65.61 2yth h VAL 34 Cb 0.41 0.75 -0.06 0.00 -2.13 0.00 0.00 31.29 30.26 2yth h VAL 34 CO -0.06 0.00 0.13 1.41 -1.23 0.00 0.00 177.57 177.82 2yth n HIS 35 N -2.80 2.27 0.00 5.19 8.25 0.08 -4.76 115.22 123.45 2yth n HIS 35 Ca -0.02 -0.94 0.00 0.00 -0.26 0.00 0.00 57.72 56.50 2yth n HIS 35 Cb 0.19 -0.60 0.00 0.00 1.12 0.00 0.00 29.99 30.70 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 0.29 0.00 0.00 1.59 -2.24 0.97 -4.84 114.28 110.05 2yth n THR 36 Ca 0.34 0.88 0.00 0.00 -2.27 0.00 0.00 64.05 63.00 2yth n THR 36 Cb 1.29 -1.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.30 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 -0.94 0.00 1.74 3.38 0.00 -1.26 -5.03 105.19 103.08 2yth n GLY 37 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 2yth n GLY 37 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2yth n GLU 38 N 0.00 2.45 -2.22 1.61 2.13 -1.26 -4.96 120.64 118.39 2yth n GLU 38 Ca 0.00 -2.13 -0.40 0.00 0.66 0.00 0.00 57.16 55.29 2yth n GLU 38 Cb 0.00 -1.89 -0.02 0.00 0.27 0.00 0.00 31.44 29.80 2yth n GLU 38 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 2yth s LYS 39 N -2.28 4.28 0.00 5.31 -2.85 -1.26 -4.90 119.74 118.05 2yth s LYS 39 Ca 0.39 2.04 0.15 0.00 -1.00 0.00 0.00 55.97 57.56 2yth s LYS 39 Cb 0.32 -2.95 0.85 0.00 -2.06 0.00 0.00 37.83 33.99 2yth s LYS 39 CO 0.09 -0.19 1.37 -0.35 0.10 0.00 0.00 175.35 176.37 2yth n PRO 40 N 0.60 0.37 -2.83 1.78 -0.04 -1.26 -4.26 135.00 129.36 2yth n PRO 40 Ca 0.01 0.06 -0.44 0.00 -0.04 0.00 0.00 63.50 63.10 2yth n PRO 40 Cb 0.44 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.40 2yth n PRO 40 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2yth n SER 41 N -1.12 5.31 0.00 3.54 2.88 -1.26 -4.85 113.62 118.12 2yth n SER 41 Ca 0.10 -3.06 0.00 0.00 -1.33 0.00 0.00 58.87 54.58 2yth n SER 41 Cb 0.08 -1.50 0.00 0.00 -0.75 0.00 0.00 64.21 62.04 2yth n SER 41 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yth n GLY 42 N 3.34 4.70 3.73 0.46 0.00 -1.26 -5.10 105.19 111.06 2yth n GLY 42 Ca 0.35 -1.09 -0.41 0.00 0.00 0.00 0.00 46.02 44.87 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 -4.83 4.38 1.41 1.61 0.04 -1.26 -4.99 135.00 131.37 2yth s PRO 43 Ca 0.00 2.04 -0.23 0.00 0.04 0.00 0.00 61.00 62.86 2yth s PRO 43 Cb 0.00 -3.21 0.36 0.00 0.04 0.00 0.00 34.50 31.69 2yth s PRO 43 CO 0.00 -0.28 0.82 -1.13 0.04 0.00 0.00 177.00 176.46 2yth n SER 44 N 2.85 -3.91 -3.66 6.66 3.41 -1.26 -4.02 113.62 113.68 2yth n SER 44 Ca 0.07 -0.78 -0.24 0.00 -0.26 0.00 0.00 58.87 57.66 2yth n SER 44 Cb 0.43 -1.00 0.06 0.00 -0.26 0.00 0.00 64.21 63.45 2yth n SER 44 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2yth n SER 45 N -5.24 -4.73 0.00 4.04 2.88 -1.26 -5.29 113.62 104.02 2yth n SER 45 Ca 0.12 -0.64 0.13 0.00 -1.33 0.00 0.00 58.87 57.15 2yth n SER 45 Cb 0.57 -4.66 0.80 0.00 -0.75 0.00 0.00 64.21 60.16 2yth n SER 45 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42