#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1htr s VAL 2 N 0.00 2.31 0.09 0.00 1.01 -1.26 -5.12 120.40 117.44 1htr s VAL 2 Ca 0.00 -1.14 0.09 0.00 0.00 0.00 0.00 61.98 60.92 1htr s VAL 2 Cb 0.00 -2.13 -0.03 0.00 0.00 0.00 0.00 36.38 34.22 1htr s VAL 2 CO 0.00 0.30 -0.22 0.68 0.00 0.00 0.00 175.10 175.86 1htr s VAL 3 N 1.25 1.84 -0.11 2.92 -7.23 -1.26 -5.11 120.40 112.70 1htr s VAL 3 Ca -0.00 -1.49 0.02 0.00 -1.81 0.00 0.00 61.98 58.69 1htr s VAL 3 Cb -0.16 -1.64 -0.01 0.00 0.56 0.00 0.00 36.38 35.13 1htr s VAL 3 CO -0.09 0.07 -0.17 -0.75 -0.31 0.00 0.00 175.10 173.85 1htr s LYS 4 N -1.71 3.21 -0.24 4.82 2.20 -1.26 -5.08 119.74 121.69 1htr s LYS 4 Ca 0.09 -0.76 -0.07 0.00 -0.36 0.00 0.00 55.97 54.87 1htr s LYS 4 Cb -0.10 -2.49 -0.03 0.00 -1.51 0.00 0.00 37.83 33.70 1htr s LYS 4 CO 0.04 0.22 0.06 0.08 -0.36 0.00 0.00 175.35 175.39 1htr s VAL 5 N 0.29 4.27 0.38 4.02 1.01 -1.26 -5.09 120.40 124.02 1htr s VAL 5 Ca -0.13 -0.19 -0.25 0.00 0.00 0.00 0.00 61.98 61.41 1htr s VAL 5 Cb -0.16 -2.99 -0.09 0.00 0.00 0.00 0.00 36.38 33.14 1htr s VAL 5 CO 0.07 0.36 1.11 -2.16 0.00 0.00 0.00 175.10 174.48 1htr s PRO 6 N 1.48 4.18 0.18 2.72 0.04 -1.26 -5.04 135.00 137.30 1htr s PRO 6 Ca 0.06 1.71 0.09 0.00 0.04 0.00 0.00 61.00 62.89 1htr s PRO 6 Cb -0.15 -2.70 -0.04 0.00 0.04 0.00 0.00 34.50 31.65 1htr s PRO 6 CO 0.03 -0.17 -0.10 -0.51 0.04 0.00 0.00 177.00 176.29 1htr s LEU 7 N -2.39 2.94 0.13 -3.56 1.43 -1.26 -5.12 118.68 110.85 1htr s LEU 7 Ca 0.55 -0.60 0.06 0.00 -1.03 0.00 0.00 54.13 53.12 1htr s LEU 7 Cb -0.28 -1.63 -0.04 0.00 0.03 0.00 0.00 46.19 44.28 1htr s LEU 7 CO 0.35 0.10 -0.15 -0.54 0.23 0.00 0.00 176.35 176.34 1htr s LYS 8 N -2.84 1.07 -0.08 1.70 1.02 -1.26 -5.13 119.74 114.23 1htr s LYS 8 Ca 0.25 -1.25 -0.15 0.00 0.02 0.00 0.00 55.97 54.84 1htr s LYS 8 Cb -0.09 -1.01 -0.05 0.00 -0.52 0.00 0.00 37.83 36.16 1htr s LYS 8 CO 0.15 0.20 0.37 0.21 -0.92 0.00 0.00 175.35 175.36 1htr s LYS 9 N -2.61 4.06 0.36 1.68 2.47 -1.26 -5.08 119.74 119.37 1htr s LYS 9 Ca 0.10 0.29 0.05 0.00 -1.56 0.00 0.00 55.97 54.84 1htr s LYS 9 Cb -0.06 -3.32 -0.03 0.00 -1.46 0.00 0.00 37.83 32.97 1htr s LYS 9 CO 0.04 0.47 0.18 -0.06 0.16 0.00 0.00 175.35 176.13 1htr s PHE 10 N -0.31 1.73 0.31 4.03 0.40 -1.26 -5.12 117.98 117.77 1htr s PHE 10 Ca 0.21 -1.42 -0.28 0.00 -0.60 0.00 0.00 56.93 54.85 1htr s PHE 10 Cb -0.15 -0.95 -0.09 0.00 0.51 0.00 0.00 43.02 42.33 1htr s PHE 10 CO 0.09 -0.52 1.05 0.15 0.70 0.00 0.00 175.22 176.69 1htr s LYS 11 N -3.66 4.54 0.64 0.44 -0.14 -1.26 -5.01 119.74 115.29 1htr s LYS 11 Ca 0.32 1.63 -0.11 0.00 -1.36 0.00 0.00 55.97 56.45 1htr s LYS 11 Cb 0.03 -2.99 -0.02 0.00 -1.68 0.00 0.00 37.83 33.17 1htr s LYS 11 CO 0.19 0.17 1.04 -1.54 -0.76 0.00 0.00 175.35 174.45 1htr s SER 12 N -1.18 5.98 0.26 2.83 1.04 -1.26 -4.87 113.70 116.51 1htr s SER 12 Ca 0.48 1.29 -0.04 0.00 0.48 0.00 0.00 55.95 58.17 1htr s SER 12 Cb -0.27 -2.28 0.36 0.00 0.10 0.00 0.00 66.02 63.93 1htr s SER 12 CO 0.34 -1.00 1.90 0.40 0.98 0.00 0.00 173.24 175.86 1htr h ILE 13 N -0.39 1.15 -0.83 -1.02 2.04 -1.99 -0.52 117.51 115.95 1htr h ILE 13 Ca -0.44 -0.43 0.01 0.00 1.00 0.00 0.00 64.86 64.99 1htr h ILE 13 Cb 1.21 -0.21 -0.04 0.00 -0.74 0.00 0.00 36.82 37.04 1htr h ILE 13 CO 0.62 0.23 0.55 -0.09 0.00 0.00 0.00 178.15 179.46 1htr h ARG 14 N 1.25 1.09 -0.10 2.37 2.43 -1.99 0.28 114.38 119.70 1htr h ARG 14 Ca 0.41 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.50 1htr h ARG 14 Cb 0.05 -0.25 -0.00 0.00 -0.42 0.00 0.00 29.97 29.35 1htr h ARG 14 CO -0.14 0.72 0.01 0.93 -1.51 0.00 0.00 179.97 179.98 1htr h GLU 15 N 1.12 0.17 -0.63 0.20 5.08 -1.76 -0.87 114.58 117.90 1htr h GLU 15 Ca 0.30 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 1htr h GLU 15 Cb -0.13 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.07 1htr h GLU 15 CO -0.07 0.41 0.40 1.15 -1.00 0.00 0.00 179.01 179.91 1htr h THR 16 N -0.08 1.17 -0.48 1.13 2.02 -0.53 -1.52 112.91 114.62 1htr h THR 16 Ca 0.03 -0.34 -0.05 0.00 0.77 0.00 0.00 66.41 66.82 1htr h THR 16 Cb 0.32 0.27 -0.02 0.00 -1.74 0.00 0.00 68.15 66.98 1htr h THR 16 CO 0.00 0.17 0.11 0.24 0.37 0.00 0.00 175.52 176.42 1htr h MET 17 N 0.85 0.73 -0.32 6.66 2.86 -0.80 -1.07 114.93 123.85 1htr h MET 17 Ca 0.23 -0.14 -0.01 0.00 -2.06 0.00 0.00 59.70 57.72 1htr h MET 17 Cb -0.07 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.46 1htr h MET 17 CO -0.05 0.67 0.18 -0.22 1.06 0.00 0.00 176.91 178.55 1htr h LYS 18 N 0.71 0.45 -0.27 1.72 3.64 -0.79 0.25 116.57 122.27 1htr h LYS 18 Ca 0.16 -0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.45 1htr h LYS 18 Cb 0.27 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 1htr h LYS 18 CO -0.00 0.37 -0.00 0.93 -2.27 0.00 0.00 179.45 178.47 1htr h GLU 19 N 0.40 0.41 -0.24 1.90 5.08 -0.74 0.19 114.58 121.58 1htr h GLU 19 Ca 0.11 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1htr h GLU 19 Cb 0.05 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1htr h GLU 19 CO -0.02 0.44 0.00 1.63 -1.00 0.00 0.00 179.01 180.06 1htr n LYS 20 N -4.32 1.89 -2.44 2.33 4.76 -0.45 -4.92 118.16 115.01 1htr n LYS 20 Ca 0.01 -1.35 -0.15 0.00 -2.87 0.00 0.00 58.31 53.95 1htr n LYS 20 Cb 0.22 -1.40 0.00 0.00 -1.84 0.00 0.00 35.03 32.01 1htr n LYS 20 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1htr n GLY 21 N 1.19 -0.21 0.25 0.72 0.00 0.65 -4.89 105.19 102.91 1htr n GLY 21 Ca 0.16 -0.23 0.06 0.00 0.00 0.00 0.00 46.02 46.01 1htr n GLY 21 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1htr n LEU 22 N -2.34 1.27 0.29 0.99 4.77 0.65 -4.78 117.00 117.85 1htr n LEU 22 Ca -0.14 -0.73 -0.18 0.00 -0.03 0.00 0.00 56.01 54.93 1htr n LEU 22 Cb 0.62 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.61 1htr n LEU 22 CO 0.24 0.25 0.52 0.25 -1.33 0.00 0.00 177.39 177.33 1htr h LEU 23 N 1.21 -1.35 -0.96 2.23 5.85 -1.83 -2.94 115.31 117.51 1htr h LEU 23 Ca 0.00 0.11 0.11 0.00 0.84 0.00 0.00 57.88 58.94 1htr h LEU 23 Cb 0.41 0.44 -0.13 0.00 0.37 0.00 0.00 40.66 41.75 1htr h LEU 23 CO 0.00 -0.65 -0.48 0.61 -0.34 0.00 0.00 178.44 177.58 1htr n GLY 24 N -1.55 -2.26 0.22 3.75 0.00 -1.26 0.16 105.19 104.25 1htr n GLY 24 Ca -0.12 1.11 0.12 0.00 0.00 0.00 0.00 46.02 47.14 1htr n GLY 24 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1htr h GLU 25 N 0.00 0.00 0.01 1.61 4.11 -1.91 -1.54 114.58 116.85 1htr h GLU 25 Ca 0.23 0.00 -0.22 0.00 0.07 0.00 0.00 59.36 59.44 1htr h GLU 25 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1htr h GLU 25 CO -0.92 0.00 -0.94 0.35 0.07 0.00 0.00 179.01 177.57 1htr h PHE 26 N 0.00 0.55 -0.90 2.06 3.04 -0.19 -2.43 116.94 119.07 1htr h PHE 26 Ca 0.00 -0.30 0.01 0.00 3.98 0.00 0.00 57.97 61.65 1htr h PHE 26 Cb 0.95 -0.06 -0.04 0.00 2.56 0.00 0.00 35.95 39.36 1htr h PHE 26 CO 0.00 1.13 0.59 -0.07 -2.02 0.00 0.00 178.31 177.94 1htr h LEU 27 N 0.21 1.04 -3.24 0.59 3.38 0.20 -1.94 115.31 115.54 1htr h LEU 27 Ca -0.08 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1htr h LEU 27 Cb 1.58 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 42.07 1htr h LEU 27 CO 0.16 0.76 0.00 0.54 0.09 0.00 0.00 178.44 179.99 1htr n ARG 28 N -4.45 4.22 0.00 1.13 1.74 -0.62 -3.65 116.66 115.02 1htr n ARG 28 Ca 0.10 -2.91 0.00 0.00 -0.77 0.00 0.00 57.85 54.27 1htr n ARG 28 Cb 0.02 -2.07 0.00 0.00 -1.02 0.00 0.00 32.46 29.39 1htr n ARG 28 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 1htr n THR 29 N 0.86 0.00 -4.55 0.55 -1.04 -0.92 -5.01 114.28 104.16 1htr n THR 29 Ca 0.26 -0.50 -0.27 0.00 -2.04 0.00 0.00 64.05 61.50 1htr n THR 29 Cb 1.02 1.00 -0.17 0.00 -1.82 0.00 0.00 70.33 70.36 1htr n THR 29 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 1htr s HIS 30 N -0.62 1.79 -0.00 -1.42 3.76 -0.77 -5.05 115.29 112.98 1htr s HIS 30 Ca 0.00 -0.77 0.03 0.00 -0.15 0.00 0.00 55.06 54.17 1htr s HIS 30 Cb 0.00 -1.30 -0.03 0.00 1.11 0.00 0.00 32.58 32.36 1htr s HIS 30 CO 0.00 -0.39 -0.07 0.21 -0.85 0.00 0.00 174.74 173.63 1htr s LYS 31 N 0.84 2.54 -0.10 1.40 2.36 -1.26 -4.86 119.74 120.65 1htr s LYS 31 Ca -0.10 -0.72 -0.11 0.00 -2.55 0.00 0.00 55.97 52.49 1htr s LYS 31 Cb -0.15 -2.49 0.03 0.00 -1.05 0.00 0.00 37.83 34.16 1htr s LYS 31 CO 0.01 0.60 0.29 -0.47 1.55 0.00 0.00 175.35 177.34 1htr s TYR 32 N -0.97 -0.31 -0.17 4.03 5.04 -1.26 -5.13 117.35 118.58 1htr s TYR 32 Ca 0.16 0.73 -0.01 0.00 -2.44 0.00 0.00 57.07 55.52 1htr s TYR 32 Cb -0.11 0.11 -0.00 0.00 0.35 0.00 0.00 41.96 42.30 1htr s TYR 32 CO 0.07 -0.18 -0.13 0.34 -1.34 0.00 0.00 175.55 174.32 1htr s ASP 33 N 0.01 3.80 0.58 4.32 -1.08 -1.26 -4.99 116.67 118.05 1htr s ASP 33 Ca -0.01 -0.46 0.29 0.00 -0.52 0.00 0.00 52.55 51.85 1htr s ASP 33 Cb -0.02 -1.61 1.48 0.00 -1.46 0.00 0.00 42.92 41.31 1htr s ASP 33 CO 0.01 0.05 1.92 -0.65 0.52 0.00 0.00 175.17 177.02 1htr h PRO 34 N 7.57 0.00 0.00 4.34 0.11 -2.05 0.97 132.00 142.94 1htr h PRO 34 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1htr h PRO 34 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1htr h PRO 34 CO 0.59 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.38 1htr n ALA 35 N -2.43 1.68 0.31 -0.75 0.00 -1.26 -2.62 120.51 115.44 1htr n ALA 35 Ca 0.09 0.03 0.14 0.00 0.00 0.00 0.00 53.44 53.70 1htr n ALA 35 Cb 0.68 -1.33 0.62 0.00 0.00 0.00 0.00 19.45 19.42 1htr n ALA 35 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 1htr h TRP 36 N 0.00 0.00 0.00 0.00 6.55 -1.22 -2.48 115.95 118.80 1htr h TRP 36 Ca 0.00 0.00 -0.05 0.00 0.95 0.00 0.00 58.89 59.79 1htr h TRP 36 Cb 0.33 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.62 1htr h TRP 36 CO 0.00 0.00 -0.26 -0.22 -1.05 0.00 0.00 178.44 176.91 1htr h LYS 37 N 0.00 0.00 -0.50 0.49 3.64 -1.71 -3.01 116.57 115.48 1htr h LYS 37 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1htr h LYS 37 Cb 0.27 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.09 1htr h LYS 37 CO 0.00 0.26 0.00 0.66 -2.27 0.00 0.00 179.45 178.10 1htr n TYR 38 N -3.86 1.16 -0.19 1.91 4.01 -0.93 -4.62 117.16 114.64 1htr n TYR 38 Ca -0.02 -0.65 0.12 0.00 -0.16 0.00 0.00 57.90 57.20 1htr n TYR 38 Cb 0.34 -0.22 0.43 0.00 -0.31 0.00 0.00 39.34 39.59 1htr n TYR 38 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1htr h ARG 39 N 3.16 0.57 -7.20 -0.72 3.08 -1.66 -3.44 114.38 108.17 1htr h ARG 39 Ca 0.00 -0.03 -0.52 0.00 0.07 0.00 0.00 59.98 59.49 1htr h ARG 39 Cb 1.31 -0.13 0.14 0.00 0.08 0.00 0.00 29.97 31.37 1htr h ARG 39 CO 0.18 0.37 0.37 -0.06 -1.07 0.00 0.00 179.97 179.77 1htr s PHE 40 N -5.55 2.25 -0.03 3.04 0.40 -1.26 -4.98 117.98 111.84 1htr s PHE 40 Ca -0.09 1.60 0.03 0.00 -0.60 0.00 0.00 56.93 57.87 1htr s PHE 40 Cb 0.21 -3.33 -0.04 0.00 0.51 0.00 0.00 43.02 40.37 1htr s PHE 40 CO 0.77 -2.25 0.07 0.41 0.70 0.00 0.00 175.22 174.93 1htr n GLY 41 N -0.04 0.08 3.83 4.36 0.00 -1.26 -5.05 105.19 107.10 1htr n GLY 41 Ca 0.12 -0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 1htr n GLY 41 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1htr s ASP 42 N -2.07 3.00 0.00 1.61 1.47 -1.26 -5.31 116.67 114.11 1htr s ASP 42 Ca -0.01 0.58 0.00 0.00 1.18 0.00 0.00 52.55 54.31 1htr s ASP 42 Cb 0.02 -0.86 0.00 0.00 -0.34 0.00 0.00 42.92 41.74 1htr s ASP 42 CO 0.12 -2.83 0.48 0.18 0.68 0.00 0.00 175.17 173.80