#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 6.36 -0.00 1.61 0.15 -1.26 -5.11 113.70 115.44 2yth s SER 2 Ca 0.00 0.38 0.02 0.00 0.70 0.00 0.00 55.95 57.04 2yth s SER 2 Cb 0.00 -2.00 -0.00 0.00 -1.71 0.00 0.00 66.02 62.31 2yth s SER 2 CO 0.00 -0.10 -0.06 -0.55 1.20 0.00 0.00 173.24 173.73 2yth s SER 3 N -3.45 0.70 0.00 5.45 0.15 -1.26 -5.00 113.70 110.29 2yth s SER 3 Ca 0.38 -0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.92 2yth s SER 3 Cb -0.10 -0.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.13 2yth s SER 3 CO 0.30 0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.42 2yth n GLY 4 N 2.92 0.20 3.75 9.45 0.00 -1.26 -5.12 105.19 115.14 2yth n GLY 4 Ca -0.13 -0.14 -0.41 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.09 6.36 -0.34 1.61 0.01 -1.26 -4.93 113.70 114.06 2yth s SER 5 Ca 0.00 2.97 0.08 0.00 1.31 0.00 0.00 55.95 60.31 2yth s SER 5 Cb 0.00 -2.64 0.45 0.00 0.21 0.00 0.00 66.02 64.04 2yth s SER 5 CO 0.00 -0.92 1.15 -0.24 0.41 0.00 0.00 173.24 173.64 2yth n SER 6 N 2.01 4.40 -3.47 2.44 2.88 -1.26 -4.91 113.62 115.71 2yth n SER 6 Ca 0.08 -3.54 -0.28 0.00 -1.33 0.00 0.00 58.87 53.80 2yth n SER 6 Cb 0.37 -0.40 -0.11 0.00 -0.75 0.00 0.00 64.21 63.33 2yth n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2yth s GLY 7 N -3.58 1.31 -0.18 0.46 0.00 -1.26 -5.09 107.32 98.98 2yth s GLY 7 Ca 0.47 -2.46 -0.00 0.00 0.00 0.00 0.00 44.72 42.72 2yth s GLY 7 CO -0.04 1.99 -0.16 -0.56 0.00 0.00 0.00 173.10 174.34 2yth s SER 8 N 0.15 3.50 0.42 1.64 0.01 -1.26 -5.10 113.70 113.06 2yth s SER 8 Ca 0.28 -0.55 -0.26 0.00 1.31 0.00 0.00 55.95 56.73 2yth s SER 8 Cb -0.04 -1.55 -0.09 0.00 0.21 0.00 0.00 66.02 64.55 2yth s SER 8 CO -0.14 0.02 1.41 -0.83 0.41 0.00 0.00 173.24 174.11 2yth s GLY 9 N 1.22 2.93 -0.05 3.44 0.00 -1.26 -5.02 107.32 108.58 2yth s GLY 9 Ca 0.03 1.44 -0.00 0.00 0.00 0.00 0.00 44.72 46.18 2yth s GLY 9 CO -0.08 2.06 -0.01 -0.54 0.00 0.00 0.00 173.10 174.53 2yth s GLU 10 N -2.32 0.62 0.06 2.90 2.02 -1.26 -5.14 118.70 115.58 2yth s GLU 10 Ca 0.58 0.03 -0.11 0.00 0.02 0.00 0.00 54.97 55.50 2yth s GLU 10 Cb -0.43 -0.83 -0.06 0.00 0.10 0.00 0.00 34.13 32.91 2yth s GLU 10 CO 0.56 -0.20 0.40 0.15 0.02 0.00 0.00 175.26 176.19 2yth s LYS 11 N 1.43 3.78 0.31 1.61 1.02 -1.26 -5.00 119.74 121.63 2yth s LYS 11 Ca -0.03 0.21 0.09 0.00 0.02 0.00 0.00 55.97 56.26 2yth s LYS 11 Cb -0.13 -3.04 0.49 0.00 -0.52 0.00 0.00 37.83 34.63 2yth s LYS 11 CO -0.03 0.58 1.70 -1.00 -0.92 0.00 0.00 175.35 175.69 2yth h PRO 12 N 3.89 0.10 -4.51 -1.68 0.13 -1.96 -3.39 132.00 124.58 2yth h PRO 12 Ca -0.50 -0.05 -0.72 0.00 -0.87 0.00 0.00 66.00 63.86 2yth h PRO 12 Cb 1.20 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.12 2yth h PRO 12 CO 0.65 0.56 0.08 -0.06 -0.23 0.00 0.00 178.00 179.00 2yth s PHE 13 N -3.98 3.12 -0.06 1.56 0.08 -1.26 -5.02 117.98 112.43 2yth s PHE 13 Ca -0.03 -1.14 0.02 0.00 0.12 0.00 0.00 56.93 55.89 2yth s PHE 13 Cb 0.13 -3.97 0.02 0.00 -0.57 0.00 0.00 43.02 38.63 2yth s PHE 13 CO 0.76 -1.23 -0.09 -0.65 -0.10 0.00 0.00 175.22 173.91 2yth s GLN 14 N 2.25 1.34 1.09 0.44 -0.21 -1.26 -2.80 119.66 120.52 2yth s GLN 14 Ca 0.11 -0.29 -0.20 0.00 0.02 0.00 0.00 55.36 55.01 2yth s GLN 14 Cb -0.23 -1.17 0.05 0.00 1.00 0.00 0.00 33.01 32.66 2yth s GLN 14 CO 0.03 -0.01 -0.24 0.00 -2.12 0.00 0.00 175.29 172.95 2yth n GLU 16 N -1.27 0.85 -0.03 0.00 -0.58 -1.26 -3.31 120.64 115.04 2yth n GLU 16 Ca 0.00 -0.03 -0.00 0.00 -0.42 0.00 0.00 57.16 56.71 2yth n GLU 16 Cb 0.64 -1.11 -0.14 0.00 -0.57 0.00 0.00 31.44 30.26 2yth n GLU 16 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 2yth n GLU 17 N -1.77 0.66 0.00 3.49 4.07 -1.26 -4.52 120.64 121.31 2yth n GLU 17 Ca -0.02 -0.01 0.00 0.00 -0.06 0.00 0.00 57.16 57.07 2yth n GLU 17 Cb 0.24 -1.60 0.00 0.00 -0.06 0.00 0.00 31.44 30.02 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 -0.04 0.10 2.02 0.00 0.00 -1.21 -4.89 105.19 101.17 2yth n GLY 19 Ca 0.00 0.94 -0.12 0.00 0.00 0.00 0.00 46.02 46.84 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 -0.25 0.92 -4.66 1.61 4.76 -1.26 -4.73 118.16 114.55 2yth n LYS 20 Ca -0.08 -1.71 -0.25 0.00 -2.87 0.00 0.00 58.31 53.40 2yth n LYS 20 Cb 0.57 0.02 -0.17 0.00 -1.84 0.00 0.00 35.03 33.61 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 -3.28 1.80 -0.13 1.97 0.52 -1.26 -3.47 118.95 115.09 2yth s ARG 21 Ca 0.25 -0.47 -0.09 0.00 -0.52 0.00 0.00 55.73 54.90 2yth s ARG 21 Cb -0.02 -1.48 0.04 0.00 0.52 0.00 0.00 34.95 34.01 2yth s ARG 21 CO 0.16 0.06 0.34 -0.06 0.02 0.00 0.00 175.30 175.81 2yth s PHE 22 N 0.57 -0.43 0.13 -0.53 0.08 -1.12 -5.04 117.98 111.64 2yth s PHE 22 Ca -0.14 0.99 -0.06 0.00 0.12 0.00 0.00 56.93 57.84 2yth s PHE 22 Cb -0.15 0.15 -0.08 0.00 -0.57 0.00 0.00 43.02 42.36 2yth s PHE 22 CO 0.04 -0.24 1.32 0.00 -0.10 0.00 0.00 175.22 176.24 2yth h THR 23 N 5.20 1.37 -3.09 0.64 1.03 -2.01 -3.38 112.91 112.67 2yth h THR 23 Ca -0.33 -2.31 -0.67 0.00 -0.01 0.00 0.00 66.41 63.09 2yth h THR 23 Cb 1.18 2.30 -0.12 0.00 -1.07 0.00 0.00 68.15 70.44 2yth h THR 23 CO 0.31 0.70 -0.57 -1.10 -0.01 0.00 0.00 175.52 174.85 2yth s GLN 24 N -3.40 3.12 0.12 0.00 -0.21 -1.26 -4.96 119.66 113.06 2yth s GLN 24 Ca -0.07 -0.35 -0.17 0.00 0.02 0.00 0.00 55.36 54.79 2yth s GLN 24 Cb 0.09 -2.91 -0.03 0.00 1.00 0.00 0.00 33.01 31.15 2yth s GLN 24 CO 0.87 0.71 1.62 -2.95 -2.12 0.00 0.00 175.29 173.42 2yth h ASN 25 N 4.86 0.51 -0.92 5.90 -1.07 -1.98 -2.98 115.58 119.91 2yth h ASN 25 Ca -0.52 -0.22 0.26 0.00 0.07 0.00 0.00 56.30 55.89 2yth h ASN 25 Cb 1.20 -0.13 -0.16 0.00 -2.07 0.00 0.00 38.32 37.16 2yth h ASN 25 CO 0.57 0.60 0.18 0.28 0.07 0.00 0.00 177.43 179.13 2yth h SER 26 N 0.40 -0.15 -0.49 6.14 0.02 -1.99 0.48 113.55 117.95 2yth h SER 26 Ca 0.11 0.23 0.07 0.00 -0.84 0.00 0.00 61.79 61.36 2yth h SER 26 Cb 0.28 0.35 -0.06 0.00 0.14 0.00 0.00 62.40 63.11 2yth h SER 26 CO -0.00 -0.25 0.15 0.45 -1.14 0.00 0.00 176.83 176.04 2yth h HIS 27 N 0.11 0.26 0.29 3.45 3.86 -1.95 -2.45 115.15 118.73 2yth h HIS 27 Ca 0.59 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.81 2yth h HIS 27 Cb 1.24 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.67 2yth h HIS 27 CO -0.33 0.07 -0.14 1.25 0.86 0.00 0.00 177.93 179.64 2yth h LEU 28 N 0.32 -0.33 -0.49 2.43 5.85 -0.24 -1.40 115.31 121.45 2yth h LEU 28 Ca 0.24 -0.20 0.04 0.00 0.84 0.00 0.00 57.88 58.80 2yth h LEU 28 Cb 0.27 0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.33 2yth h LEU 28 CO -0.26 0.07 -0.29 1.41 -0.34 0.00 0.00 178.44 179.03 2yth n HIS 29 N -5.10 -0.21 -0.24 1.25 8.25 0.10 0.17 115.22 119.44 2yth n HIS 29 Ca -0.09 0.61 -0.03 0.00 -0.26 0.00 0.00 57.72 57.95 2yth n HIS 29 Cb 0.26 -0.52 0.15 0.00 1.12 0.00 0.00 29.99 31.01 2yth n HIS 29 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2yth h SER 30 N 0.00 0.96 -0.87 0.41 0.87 -1.54 -2.36 113.55 111.02 2yth h SER 30 Ca 0.08 -0.11 0.10 0.00 -1.23 0.00 0.00 61.79 60.63 2yth h SER 30 Cb 0.20 -0.25 -0.06 0.00 -0.44 0.00 0.00 62.40 61.85 2yth h SER 30 CO -0.46 0.81 0.56 -0.74 -0.53 0.00 0.00 176.83 176.48 2yth h HIS 31 N 1.05 0.90 -0.97 2.24 6.17 0.86 -0.97 115.15 124.43 2yth h HIS 31 Ca 0.26 0.02 0.13 0.00 0.71 0.00 0.00 60.37 61.49 2yth h HIS 31 Cb 0.11 -0.29 -0.08 0.00 2.52 0.00 0.00 27.41 29.67 2yth h HIS 31 CO 0.01 0.40 0.61 1.96 0.71 0.00 0.00 177.93 181.62 2yth h GLN 32 N 0.82 0.86 0.00 5.26 4.20 0.29 0.23 115.11 126.77 2yth h GLN 32 Ca 0.41 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 59.06 2yth h GLN 32 Cb 0.47 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 28.05 2yth h GLN 32 CO -0.17 0.57 -0.02 0.00 -0.67 0.00 0.00 178.83 178.54 2yth h ARG 33 N 0.89 0.00 0.00 1.46 -0.00 -1.26 -1.28 114.38 114.19 2yth h ARG 33 Ca 0.49 0.00 -0.01 0.00 -0.50 0.00 0.00 59.98 59.96 2yth h ARG 33 Cb 0.58 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 30.55 2yth h ARG 33 CO -0.25 0.02 -0.03 0.28 0.00 0.00 0.00 179.97 179.98 2yth h VAL 34 N 0.00 0.53 -0.62 2.04 2.07 -0.57 0.00 116.25 119.71 2yth h VAL 34 Ca -0.00 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.38 2yth h VAL 34 Cb 0.07 1.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 2yth h VAL 34 CO 0.00 0.03 0.00 1.41 0.02 0.00 0.00 177.57 179.03 2yth n HIS 35 N -3.79 1.77 -0.25 1.57 8.25 -0.48 -4.62 115.22 117.66 2yth n HIS 35 Ca -0.03 -0.65 -0.05 0.00 -0.26 0.00 0.00 57.72 56.73 2yth n HIS 35 Cb 0.12 -0.37 0.01 0.00 1.12 0.00 0.00 29.99 30.87 2yth n HIS 35 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 2yth h THR 36 N 4.06 0.11 0.00 1.59 1.35 -1.08 -3.42 112.91 115.52 2yth h THR 36 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 2yth h THR 36 Cb 1.70 0.11 0.00 0.00 -1.73 0.00 0.00 68.15 68.23 2yth h THR 36 CO 0.35 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.23 2yth n GLY 37 N -1.44 0.00 2.48 5.82 0.00 -1.26 -5.05 105.19 105.74 2yth n GLY 37 Ca 0.05 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.91 2yth n GLY 37 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2yth n GLU 38 N 0.00 2.57 -4.04 1.61 -0.58 -1.26 -5.07 120.64 113.86 2yth n GLU 38 Ca 0.00 -3.91 -0.32 0.00 -0.42 0.00 0.00 57.16 52.51 2yth n GLU 38 Cb 0.00 -1.88 -0.06 0.00 -0.57 0.00 0.00 31.44 28.93 2yth n GLU 38 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2yth s LYS 39 N -3.50 3.09 0.07 3.49 1.02 -1.26 -5.03 119.74 117.62 2yth s LYS 39 Ca 0.39 -0.52 -0.17 0.00 0.02 0.00 0.00 55.97 55.69 2yth s LYS 39 Cb 0.40 -2.86 -0.11 0.00 -0.52 0.00 0.00 37.83 34.74 2yth s LYS 39 CO -0.05 0.62 1.39 -1.00 -0.92 0.00 0.00 175.35 175.39 2yth h PRO 40 N 3.71 0.56 -5.95 -1.68 0.13 -2.02 -3.43 132.00 123.32 2yth h PRO 40 Ca -0.48 -0.29 -0.78 0.00 -0.87 0.00 0.00 66.00 63.58 2yth h PRO 40 Cb 1.17 0.01 0.05 0.00 0.13 0.00 0.00 31.00 32.37 2yth h PRO 40 CO 0.66 0.88 0.03 0.45 -0.23 0.00 0.00 178.00 179.79 2yth n SER 41 N -4.39 -0.06 -2.89 1.44 2.88 -1.26 -4.37 113.62 104.97 2yth n SER 41 Ca -0.05 1.15 -0.22 0.00 -1.33 0.00 0.00 58.87 58.42 2yth n SER 41 Cb 0.42 -0.91 -0.12 0.00 -0.75 0.00 0.00 64.21 62.86 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 1.51 -0.32 0.13 0.46 0.00 -1.26 -4.75 105.19 100.96 2yth n GLY 42 Ca 0.20 0.47 -0.13 0.00 0.00 0.00 0.00 46.02 46.55 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 7.48 0.33 -6.66 1.61 0.13 -1.84 -3.47 132.00 129.58 2yth h PRO 43 Ca -0.01 -0.17 -0.53 0.00 -0.87 0.00 0.00 66.00 64.41 2yth h PRO 43 Cb 0.80 0.01 -0.14 0.00 0.13 0.00 0.00 31.00 31.80 2yth h PRO 43 CO 0.95 0.72 -0.87 0.43 -0.23 0.00 0.00 178.00 179.00 2yth n SER 44 N -4.58 -1.60 -0.03 1.44 7.64 -1.26 -4.84 113.62 110.40 2yth n SER 44 Ca -0.06 -1.03 -0.05 0.00 1.01 0.00 0.00 58.87 58.73 2yth n SER 44 Cb 0.35 -2.80 -0.02 0.00 -1.01 0.00 0.00 64.21 60.74 2yth n SER 44 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2yth n SER 45 N -2.83 0.76 0.00 6.43 7.64 -1.26 -5.33 113.62 119.03 2yth n SER 45 Ca -0.13 0.05 0.00 0.00 1.01 0.00 0.00 58.87 59.80 2yth n SER 45 Cb 0.60 -0.14 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 2yth n SER 45 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64