#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lgh s SER 4 N 0.00 4.56 0.30 0.55 1.04 -1.26 -4.96 113.70 113.93 1lgh s SER 4 Ca 0.00 -0.58 -0.01 0.00 0.48 0.00 0.00 55.95 55.84 1lgh s SER 4 Cb 0.00 0.18 0.46 0.00 0.10 0.00 0.00 66.02 66.76 1lgh s SER 4 CO 0.00 -1.72 1.92 -0.07 0.98 0.00 0.00 173.24 174.35 1lgh h LEU 5 N -0.30 0.84 0.00 2.42 3.38 -2.06 -2.58 115.31 117.01 1lgh h LEU 5 Ca -0.33 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1lgh h LEU 5 Cb 1.27 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1lgh h LEU 5 CO 0.39 0.69 -0.56 0.77 0.09 0.00 0.00 178.44 179.82 1lgh h SER 6 N 0.94 0.00 0.00 -0.43 4.64 -2.04 -3.47 113.55 113.19 1lgh h SER 6 Ca 0.24 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1lgh h SER 6 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1lgh h SER 6 CO -0.04 0.05 0.00 0.61 -0.87 0.00 0.00 176.83 176.58 1lgh n GLY 7 N 1.25 0.70 3.89 -0.77 0.00 -0.97 -5.05 105.19 104.24 1lgh n GLY 7 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 1lgh n GLY 7 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1lgh s LEU 8 N 0.00 3.64 0.26 0.99 1.43 -1.26 -4.72 118.68 119.02 1lgh s LEU 8 Ca 0.00 1.10 -0.03 0.00 -1.03 0.00 0.00 54.13 54.17 1lgh s LEU 8 Cb 0.00 -4.04 -0.05 0.00 0.03 0.00 0.00 46.19 42.13 1lgh s LEU 8 CO 0.00 -0.56 0.48 0.42 0.23 0.00 0.00 176.35 176.93 1lgh s THR 9 N -2.67 5.11 0.53 5.49 -4.23 -1.26 -4.08 115.64 114.53 1lgh s THR 9 Ca 0.50 -0.18 0.28 0.00 -1.18 0.00 0.00 61.69 61.11 1lgh s THR 9 Cb -0.10 -3.75 0.43 0.00 1.34 0.00 0.00 72.50 70.42 1lgh s THR 9 CO 0.41 -0.28 1.95 -0.08 -0.54 0.00 0.00 174.62 176.08 1lgh h GLU 10 N 1.71 0.00 -0.12 3.99 4.81 -1.99 0.36 114.58 123.34 1lgh h GLU 10 Ca -0.48 -0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 58.56 1lgh h GLU 10 Cb 1.19 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.57 1lgh h GLU 10 CO 0.66 0.00 -0.70 0.93 -0.73 0.00 0.00 179.01 179.17 1lgh h GLU 11 N 0.00 0.55 -0.34 1.92 3.07 -1.99 -2.07 114.58 115.72 1lgh h GLU 11 Ca 0.32 -0.43 -0.11 0.00 -0.50 0.00 0.00 59.36 58.65 1lgh h GLU 11 Cb 1.30 0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 29.29 1lgh h GLU 11 CO -0.00 1.05 -0.22 0.93 -1.40 0.00 0.00 179.01 179.37 1lgh h GLU 12 N 0.39 0.75 -0.15 2.33 5.08 -0.77 -1.53 114.58 120.67 1lgh h GLU 12 Ca -0.03 -0.35 0.04 0.00 -1.00 0.00 0.00 59.36 58.02 1lgh h GLU 12 Cb 1.29 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.48 1lgh h GLU 12 CO 0.13 0.97 -0.14 0.00 -1.00 0.00 0.00 179.01 178.97 1lgh h ALA 13 N 0.76 -0.03 -0.56 3.43 0.00 -0.91 -0.22 119.26 121.74 1lgh h ALA 13 Ca 0.07 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1lgh h ALA 13 Cb 0.78 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 1lgh h ALA 13 CO 0.06 -0.58 0.30 0.82 0.00 0.00 0.00 179.25 179.85 1lgh h ILE 14 N -0.15 1.17 -0.15 0.00 2.04 -1.26 -0.42 117.51 118.73 1lgh h ILE 14 Ca 0.10 -0.44 -0.07 0.00 1.00 0.00 0.00 64.86 65.45 1lgh h ILE 14 Cb 0.30 0.42 -0.00 0.00 -0.74 0.00 0.00 36.82 36.80 1lgh h ILE 14 CO -0.25 0.19 -0.17 0.00 0.00 0.00 0.00 178.15 177.93 1lgh h ALA 15 N 1.55 0.22 0.48 1.87 0.00 -0.28 -1.71 119.26 121.39 1lgh h ALA 15 Ca 0.20 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1lgh h ALA 15 Cb 0.03 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1lgh h ALA 15 CO -0.03 0.13 -0.23 0.28 0.00 0.00 0.00 179.25 179.39 1lgh h VAL 16 N 0.00 0.52 -0.38 0.00 2.07 -0.84 -2.66 116.25 114.96 1lgh h VAL 16 Ca 0.02 -0.15 0.11 0.00 0.82 0.00 0.00 66.70 67.50 1lgh h VAL 16 Cb 0.71 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 1lgh h VAL 16 CO 0.04 0.03 0.31 -0.74 0.02 0.00 0.00 177.57 177.23 1lgh h HIS 17 N -0.74 0.00 -0.05 1.57 6.17 -1.13 -0.35 115.15 120.62 1lgh h HIS 17 Ca -0.07 0.00 -0.03 0.00 0.71 0.00 0.00 60.37 60.99 1lgh h HIS 17 Cb 0.54 0.00 -0.00 0.00 2.52 0.00 0.00 27.41 30.47 1lgh h HIS 17 CO -0.02 0.00 -0.07 0.22 0.71 0.00 0.00 177.93 178.76 1lgh h ASP 18 N 0.00 0.15 0.44 3.26 3.58 -0.97 -1.61 116.42 121.27 1lgh h ASP 18 Ca 0.18 -0.53 -0.07 0.00 0.42 0.00 0.00 57.03 57.03 1lgh h ASP 18 Cb 0.80 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.80 1lgh h ASP 18 CO -0.00 0.65 -0.35 -0.61 -2.88 0.00 0.00 179.24 176.05 1lgh h GLN 19 N -0.35 0.00 0.48 0.28 5.75 -0.99 -2.57 115.11 117.72 1lgh h GLN 19 Ca 0.00 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.48 1lgh h GLN 19 Cb 0.62 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.17 1lgh h GLN 19 CO 0.02 0.35 -0.23 0.35 -2.65 0.00 0.00 178.83 176.66 1lgh h PHE 20 N 0.00 -0.60 -0.91 3.99 3.04 -1.00 -0.73 116.94 120.72 1lgh h PHE 20 Ca -0.00 -0.01 0.18 0.00 3.98 0.00 0.00 57.97 62.12 1lgh h PHE 20 Cb 0.66 0.20 -0.07 0.00 2.56 0.00 0.00 35.95 39.30 1lgh h PHE 20 CO 0.00 -0.31 0.59 0.87 -2.02 0.00 0.00 178.31 177.44 1lgh h LYS 21 N -0.81 0.53 0.44 1.11 1.57 -1.09 0.11 116.57 118.44 1lgh h LYS 21 Ca -0.07 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.66 1lgh h LYS 21 Cb 0.57 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.76 1lgh h LYS 21 CO 0.11 0.35 -0.21 1.15 -0.57 0.00 0.00 179.45 180.28 1lgh h THR 22 N 0.54 0.29 -0.79 -0.16 2.02 -1.08 -1.93 112.91 111.80 1lgh h THR 22 Ca 0.48 -0.58 -0.05 0.00 0.77 0.00 0.00 66.41 67.03 1lgh h THR 22 Cb 1.00 0.44 -0.03 0.00 -1.74 0.00 0.00 68.15 67.81 1lgh h THR 22 CO -0.22 0.06 0.30 0.74 0.37 0.00 0.00 175.52 176.77 1lgh h THR 23 N -1.04 1.26 -0.94 3.16 2.02 -0.65 -1.81 112.91 114.91 1lgh h THR 23 Ca -0.06 -0.84 -0.00 0.00 0.77 0.00 0.00 66.41 66.28 1lgh h THR 23 Cb 0.55 0.33 -0.05 0.00 -1.74 0.00 0.00 68.15 67.25 1lgh h THR 23 CO 0.10 0.34 0.59 0.15 0.37 0.00 0.00 175.52 177.07 1lgh h PHE 24 N 1.15 1.22 -0.23 3.16 3.57 -0.88 -1.16 116.94 123.77 1lgh h PHE 24 Ca 0.26 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.67 1lgh h PHE 24 Cb 0.24 -0.41 -0.01 0.00 2.79 0.00 0.00 35.95 38.56 1lgh h PHE 24 CO 0.02 0.80 -0.26 0.77 -2.23 0.00 0.00 178.31 177.41 1lgh h SER 25 N 1.29 0.45 -0.38 0.41 0.02 -0.80 -0.37 113.55 114.16 1lgh h SER 25 Ca 0.34 -0.15 -0.10 0.00 -0.84 0.00 0.00 61.79 61.04 1lgh h SER 25 Cb -0.09 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.31 1lgh h SER 25 CO -0.07 0.71 -0.11 0.00 -1.14 0.00 0.00 176.83 176.22 1lgh h ALA 26 N 1.33 0.95 0.46 3.77 0.00 -0.49 -2.05 119.26 123.23 1lgh h ALA 26 Ca 0.06 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 1lgh h ALA 26 Cb 0.67 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1lgh h ALA 26 CO 0.05 0.62 -0.22 0.35 0.00 0.00 0.00 179.25 180.04 1lgh h PHE 27 N 0.75 -0.58 -1.00 0.00 3.57 -0.79 -1.85 116.94 117.04 1lgh h PHE 27 Ca 0.13 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.71 1lgh h PHE 27 Cb 0.60 0.19 -0.08 0.00 2.79 0.00 0.00 35.95 39.46 1lgh h PHE 27 CO 0.03 -0.28 0.64 0.82 -2.23 0.00 0.00 178.31 177.29 1lgh h ILE 28 N -0.79 0.99 -0.06 1.41 1.08 -0.99 0.68 117.51 119.83 1lgh h ILE 28 Ca -0.06 -0.37 -0.18 0.00 -0.39 0.00 0.00 64.86 63.86 1lgh h ILE 28 Cb 0.55 -0.18 -0.01 0.00 -3.07 0.00 0.00 36.82 34.12 1lgh h ILE 28 CO 0.10 0.19 -0.75 0.16 -0.69 0.00 0.00 178.15 177.16 1lgh h ILE 29 N 1.07 1.40 -0.25 -0.67 -0.00 -1.31 -0.96 117.51 116.79 1lgh h ILE 29 Ca 0.47 -2.23 -0.11 0.00 -0.00 0.00 0.00 64.86 63.00 1lgh h ILE 29 Cb 0.36 2.18 -0.01 0.00 -0.00 0.00 0.00 36.82 39.35 1lgh h ILE 29 CO -0.23 0.66 -0.29 -0.07 -0.00 0.00 0.00 178.15 178.23 1lgh h LEU 30 N 0.23 0.52 -0.61 0.16 3.38 -0.47 -1.35 115.31 117.17 1lgh h LEU 30 Ca -0.03 -0.19 -0.11 0.00 0.09 0.00 0.00 57.88 57.64 1lgh h LEU 30 Cb 1.33 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.92 1lgh h LEU 30 CO 0.13 0.79 -0.05 0.00 0.09 0.00 0.00 178.44 179.39 1lgh h ALA 31 N 1.25 0.82 -0.51 1.53 0.00 -0.65 -1.55 119.26 120.14 1lgh h ALA 31 Ca 0.06 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 1lgh h ALA 31 Cb 0.73 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1lgh h ALA 31 CO 0.06 0.67 0.23 0.00 0.00 0.00 0.00 179.25 180.21 1lgh h ALA 32 N 0.98 0.66 -0.50 0.00 0.00 -0.85 -1.06 119.26 118.50 1lgh h ALA 32 Ca 0.16 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1lgh h ALA 32 Cb 0.62 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1lgh h ALA 32 CO 0.04 0.24 0.31 0.28 0.00 0.00 0.00 179.25 180.11 1lgh h VAL 33 N 0.68 1.07 -0.93 0.00 2.07 -0.99 -1.27 116.25 116.88 1lgh h VAL 33 Ca 0.17 -0.21 0.04 0.00 0.82 0.00 0.00 66.70 67.52 1lgh h VAL 33 Cb 0.15 0.40 -0.06 0.00 -1.52 0.00 0.00 31.29 30.26 1lgh h VAL 33 CO -0.02 0.11 0.60 0.00 0.02 0.00 0.00 177.57 178.28 1lgh h ALA 34 N 1.21 1.23 -0.29 1.67 0.00 -0.87 -1.40 119.26 120.82 1lgh h ALA 34 Ca 0.20 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 1lgh h ALA 34 Cb -0.01 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1lgh h ALA 34 CO -0.08 0.45 -0.23 0.45 0.00 0.00 0.00 179.25 179.84 1lgh h HIS 35 N 1.15 0.61 -0.14 0.00 3.86 -0.55 -2.56 115.15 117.53 1lgh h HIS 35 Ca 0.37 -0.13 -0.02 0.00 -1.16 0.00 0.00 60.37 59.43 1lgh h HIS 35 Cb 0.03 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 28.34 1lgh h HIS 35 CO -0.01 0.74 0.00 0.28 0.86 0.00 0.00 177.93 179.80 1lgh h VAL 36 N 0.49 1.25 -0.82 2.45 2.07 -0.32 -1.09 116.25 120.27 1lgh h VAL 36 Ca 0.07 -0.81 0.07 0.00 0.82 0.00 0.00 66.70 66.85 1lgh h VAL 36 Cb 0.67 1.51 -0.06 0.00 -1.52 0.00 0.00 31.29 31.89 1lgh h VAL 36 CO 0.05 0.24 0.50 -0.07 0.02 0.00 0.00 177.57 178.30 1lgh h LEU 37 N -0.01 0.76 -0.09 2.57 3.38 -1.18 0.53 115.31 121.26 1lgh h LEU 37 Ca 0.04 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1lgh h LEU 37 Cb 0.36 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 1lgh h LEU 37 CO 0.01 0.47 -0.04 0.58 0.09 0.00 0.00 178.44 179.55 1lgh h VAL 38 N 0.88 1.32 -0.83 1.22 2.07 -1.40 -2.57 116.25 116.94 1lgh h VAL 38 Ca 0.37 -1.04 0.08 0.00 0.82 0.00 0.00 66.70 66.94 1lgh h VAL 38 Cb 0.23 1.83 -0.06 0.00 -1.52 0.00 0.00 31.29 31.77 1lgh h VAL 38 CO -0.19 0.29 0.54 -0.25 0.02 0.00 0.00 177.57 177.98 1lgh h TRP 39 N -0.18 0.89 -0.27 1.57 2.91 -0.53 0.33 115.95 120.66 1lgh h TRP 39 Ca 0.02 0.02 -0.08 0.00 1.13 0.00 0.00 58.89 59.98 1lgh h TRP 39 Cb 0.48 -0.29 -0.01 0.00 -0.51 0.00 0.00 29.16 28.82 1lgh h TRP 39 CO 0.06 0.44 -0.19 0.28 -1.03 0.00 0.00 178.44 178.00 1lgh h VAL 40 N 0.85 1.25 0.24 2.65 2.07 -0.87 -2.86 116.25 119.58 1lgh h VAL 40 Ca 0.37 -1.14 -0.34 0.00 0.82 0.00 0.00 66.70 66.41 1lgh h VAL 40 Cb 0.33 1.26 0.03 0.00 -1.52 0.00 0.00 31.29 31.39 1lgh h VAL 40 CO -0.14 0.37 -1.52 -0.25 0.02 0.00 0.00 177.57 176.04 1lgh h TRP 41 N 0.43 0.93 -0.83 1.57 7.01 -0.36 -3.45 115.95 121.24 1lgh h TRP 41 Ca 0.07 -0.68 -0.01 0.00 2.11 0.00 0.00 58.89 60.39 1lgh h TRP 41 Cb 0.58 -0.04 -0.19 0.00 -2.10 0.00 0.00 29.16 27.41 1lgh h TRP 41 CO 0.02 1.59 -0.37 0.21 -2.79 0.00 0.00 178.44 177.10 1lgh s LYS 42 N -2.59 0.65 0.42 2.65 2.20 0.87 -5.10 119.74 118.83 1lgh s LYS 42 Ca -0.11 -0.12 -0.26 0.00 -0.36 0.00 0.00 55.97 55.13 1lgh s LYS 42 Cb 0.04 0.10 -0.10 0.00 -1.51 0.00 0.00 37.83 36.37 1lgh s LYS 42 CO 0.93 -0.97 1.35 -0.35 -0.36 0.00 0.00 175.35 175.94 1lgh n PRO 43 N 4.43 2.15 -0.13 4.03 -0.04 -1.08 -4.52 135.00 139.83 1lgh n PRO 43 Ca 0.09 0.76 0.12 0.00 -0.04 0.00 0.00 63.50 64.43 1lgh n PRO 43 Cb 0.58 -2.49 0.23 0.00 -0.04 0.00 0.00 33.50 31.77 1lgh n PRO 43 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1lgh n TRP 44 N -0.07 0.34 -0.62 0.54 2.14 -1.26 -5.07 117.44 113.45 1lgh n TRP 44 Ca 0.05 -0.17 0.00 0.00 2.07 0.00 0.00 57.50 59.45 1lgh n TRP 44 Cb 0.40 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 30.90 1lgh n TRP 44 CO 0.00 0.00 0.00 1.19 2.07 0.00 0.00 177.69 180.95