#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ifd h GLU 2 N 0.00 0.30 -0.43 0.00 5.08 -2.08 -1.30 114.58 116.15 1ifd h GLU 2 Ca 0.00 -0.02 -0.15 0.00 -1.00 0.00 0.00 59.36 58.20 1ifd h GLU 2 Cb 0.00 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1ifd h GLU 2 CO 0.00 0.20 -0.30 0.78 -1.00 0.00 0.00 179.01 178.69 1ifd h GLY 3 N 0.31 1.05 1.98 -3.84 0.00 -2.07 -3.23 103.07 97.27 1ifd h GLY 3 Ca 0.36 -1.00 0.00 0.00 0.00 0.00 0.00 47.33 46.69 1ifd h GLY 3 CO -0.43 0.91 -0.01 2.09 0.00 0.00 0.00 176.54 179.10 1ifd n ASP 4 N -4.08 0.80 0.23 0.19 5.75 -0.84 -3.93 116.55 114.67 1ifd n ASP 4 Ca -0.01 0.57 -0.16 0.00 -0.01 0.00 0.00 54.79 55.17 1ifd n ASP 4 Cb 0.50 -0.77 -0.08 0.00 -1.03 0.00 0.00 41.12 39.74 1ifd n ASP 4 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 1ifd h ASP 5 N 0.00 -1.14 -0.30 -1.12 3.32 -1.27 0.49 116.42 116.39 1ifd h ASP 5 Ca 0.00 0.10 0.04 0.00 0.02 0.00 0.00 57.03 57.19 1ifd h ASP 5 Cb 0.73 0.39 -0.02 0.00 0.22 0.00 0.00 39.33 40.66 1ifd h ASP 5 CO 0.00 -0.55 0.20 -0.65 -1.72 0.00 0.00 179.24 176.52 1ifd h PRO 6 N -0.81 0.21 -0.13 3.56 0.11 -1.76 -1.76 132.00 131.43 1ifd h PRO 6 Ca -0.03 -0.01 -0.19 0.00 0.11 0.00 0.00 66.00 65.88 1ifd h PRO 6 Cb 0.74 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.80 1ifd h PRO 6 CO -0.09 0.14 -0.69 0.00 -0.21 0.00 0.00 178.00 177.14 1ifd h ALA 7 N 1.84 0.55 -0.54 -0.75 0.00 -1.62 -1.16 119.26 117.57 1ifd h ALA 7 Ca 0.13 -0.58 -0.05 0.00 0.00 0.00 0.00 54.91 54.41 1ifd h ALA 7 Cb 0.24 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1ifd h ALA 7 CO -0.02 0.72 0.14 0.87 0.00 0.00 0.00 179.25 180.96 1ifd h LYS 8 N 0.39 0.86 -0.50 0.00 1.57 -0.05 -0.92 116.57 117.92 1ifd h LYS 8 Ca -0.03 -0.20 -0.09 0.00 -1.87 0.00 0.00 60.65 58.46 1ifd h LYS 8 Cb 1.28 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.45 1ifd h LYS 8 CO 0.13 0.81 -0.04 0.00 -0.57 0.00 0.00 179.45 179.77 1ifd h ALA 9 N 1.02 0.98 -0.71 3.86 0.00 -1.35 -1.50 119.26 121.56 1ifd h ALA 9 Ca 0.17 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1ifd h ALA 9 Cb 0.32 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1ifd h ALA 9 CO -0.00 0.62 0.24 0.00 0.00 0.00 0.00 179.25 180.10 1ifd h ALA 10 N 1.14 1.08 -0.08 0.00 0.00 -0.91 -1.56 119.26 118.94 1ifd h ALA 10 Ca 0.14 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 1ifd h ALA 10 Cb 0.54 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1ifd h ALA 10 CO 0.03 0.63 -0.39 0.74 0.00 0.00 0.00 179.25 180.26 1ifd h PHE 11 N 1.04 0.19 -0.42 0.00 0.04 -0.76 -1.06 116.94 115.96 1ifd h PHE 11 Ca 0.23 -0.05 -0.06 0.00 2.80 0.00 0.00 57.97 60.89 1ifd h PHE 11 Cb 0.27 -0.04 -0.02 0.00 2.20 0.00 0.00 35.95 38.36 1ifd h PHE 11 CO 0.02 0.53 0.02 -0.44 -0.60 0.00 0.00 178.31 177.84 1ifd h ASP 12 N 0.14 0.72 -0.61 2.17 3.32 -0.57 -0.86 116.42 120.73 1ifd h ASP 12 Ca 0.01 -0.30 -0.08 0.00 0.02 0.00 0.00 57.03 56.69 1ifd h ASP 12 Cb 0.75 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.09 1ifd h ASP 12 CO 0.06 0.84 0.08 0.28 -1.72 0.00 0.00 179.24 178.78 1ifd h SER 13 N 0.57 1.00 -0.22 6.45 0.02 -0.96 -1.59 113.55 118.83 1ifd h SER 13 Ca 0.12 -0.24 -0.09 0.00 -0.84 0.00 0.00 61.79 60.74 1ifd h SER 13 Cb 0.46 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.72 1ifd h SER 13 CO 0.02 1.00 -0.15 -0.07 -1.14 0.00 0.00 176.83 176.49 1ifd h LEU 14 N 0.97 0.62 -0.43 5.07 3.38 -1.06 -1.74 115.31 122.13 1ifd h LEU 14 Ca 0.19 -0.19 -0.16 0.00 0.09 0.00 0.00 57.88 57.81 1ifd h LEU 14 Cb 0.45 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 1ifd h LEU 14 CO 0.01 0.80 -0.47 -0.61 0.09 0.00 0.00 178.44 178.26 1ifd h GLN 15 N 0.57 0.79 -0.56 1.13 4.15 -0.78 -1.65 115.11 118.77 1ifd h GLN 15 Ca 0.10 -0.46 -0.11 0.00 0.77 0.00 0.00 58.65 58.95 1ifd h GLN 15 Cb 0.59 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.30 1ifd h GLN 15 CO 0.04 1.09 -0.08 0.00 -1.93 0.00 0.00 178.83 177.95 1ifd h ALA 16 N 0.84 0.76 -0.64 3.38 0.00 -1.12 -1.79 119.26 120.69 1ifd h ALA 16 Ca 0.03 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.54 1ifd h ALA 16 Cb 1.05 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 1ifd h ALA 16 CO 0.10 0.65 0.15 0.77 0.00 0.00 0.00 179.25 180.92 1ifd h SER 17 N 0.91 0.95 -0.36 0.00 0.02 -1.22 -1.56 113.55 112.30 1ifd h SER 17 Ca 0.15 -0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 60.90 1ifd h SER 17 Cb 0.64 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.91 1ifd h SER 17 CO 0.04 0.93 0.21 0.00 -1.14 0.00 0.00 176.83 176.87 1ifd h ALA 18 N 1.19 1.65 -0.16 3.77 0.00 -0.92 -0.80 119.26 123.99 1ifd h ALA 18 Ca 0.20 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 1ifd h ALA 18 Cb 0.35 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1ifd h ALA 18 CO 0.00 0.30 -0.39 1.15 0.00 0.00 0.00 179.25 180.31 1ifd h THR 19 N 0.53 1.30 -0.12 0.00 2.02 -0.43 -1.41 112.91 114.80 1ifd h THR 19 Ca 0.14 -1.51 -0.02 0.00 0.77 0.00 0.00 66.41 65.79 1ifd h THR 19 Cb 0.02 1.61 -0.00 0.00 -1.74 0.00 0.00 68.15 68.04 1ifd h THR 19 CO -0.02 0.46 0.01 -0.33 0.37 0.00 0.00 175.52 176.01 1ifd h GLU 20 N 0.30 0.21 -0.67 6.66 5.08 -0.56 -1.17 114.58 124.42 1ifd h GLU 20 Ca 0.03 -0.06 0.06 0.00 -1.00 0.00 0.00 59.36 58.39 1ifd h GLU 20 Cb 0.83 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 30.00 1ifd h GLU 20 CO 0.07 0.43 0.37 1.88 -1.00 0.00 0.00 179.01 180.75 1ifd h TYR 21 N -0.04 0.68 -0.16 4.33 0.05 -1.30 -1.85 116.97 118.68 1ifd h TYR 21 Ca 0.04 0.03 -0.06 0.00 0.05 0.00 0.00 58.73 58.78 1ifd h TYR 21 Cb 0.33 -0.21 -0.01 0.00 1.01 0.00 0.00 36.73 37.85 1ifd h TYR 21 CO 0.03 0.32 -0.19 0.82 -1.05 0.00 0.00 178.16 178.09 1ifd h ILE 22 N 0.68 1.21 -0.51 -2.88 2.04 -1.07 -1.47 117.51 115.51 1ifd h ILE 22 Ca 0.30 -0.97 -0.10 0.00 1.00 0.00 0.00 64.86 65.09 1ifd h ILE 22 Cb 0.20 1.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.56 1ifd h ILE 22 CO -0.19 0.30 -0.09 1.23 0.00 0.00 0.00 178.15 179.41 1ifd h GLY 23 N 0.87 1.04 1.86 5.37 0.00 -0.40 -1.78 103.07 110.03 1ifd h GLY 23 Ca 0.05 -0.83 -0.04 0.00 0.00 0.00 0.00 47.33 46.51 1ifd h GLY 23 CO 0.03 0.76 -0.09 -0.97 0.00 0.00 0.00 176.54 176.28 1ifd h TYR 24 N 0.83 0.19 -0.18 5.60 0.05 -0.97 -2.07 116.97 120.42 1ifd h TYR 24 Ca 0.13 -0.01 -0.04 0.00 0.05 0.00 0.00 58.73 58.86 1ifd h TYR 24 Cb 0.64 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 38.32 1ifd h TYR 24 CO 0.05 0.28 -0.05 0.00 -1.05 0.00 0.00 178.16 177.38 1ifd h ALA 25 N 1.74 0.24 -0.96 3.88 0.00 -0.47 -1.22 119.26 122.48 1ifd h ALA 25 Ca 0.04 -0.25 0.06 0.00 0.00 0.00 0.00 54.91 54.75 1ifd h ALA 25 Cb 0.27 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.94 1ifd h ALA 25 CO 0.01 0.02 0.62 -1.49 0.00 0.00 0.00 179.25 178.42 1ifd h TRP 26 N 0.05 1.14 -0.33 0.00 6.55 -0.91 -2.03 115.95 120.42 1ifd h TRP 26 Ca 0.04 0.03 -0.08 0.00 0.95 0.00 0.00 58.89 59.83 1ifd h TRP 26 Cb 0.50 -0.38 -0.01 0.00 -0.86 0.00 0.00 29.16 28.42 1ifd h TRP 26 CO 0.06 0.62 -0.11 0.00 -1.05 0.00 0.00 178.44 177.95 1ifd h ALA 27 N 1.47 0.46 -0.68 1.49 0.00 -1.25 -1.50 119.26 119.23 1ifd h ALA 27 Ca 0.40 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1ifd h ALA 27 Cb 0.13 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1ifd h ALA 27 CO -0.15 0.32 0.34 1.98 0.00 0.00 0.00 179.25 181.75 1ifd h MET 28 N 0.43 0.98 0.00 0.00 1.85 -0.61 -0.86 114.93 116.71 1ifd h MET 28 Ca 0.08 -0.14 -0.03 0.00 -0.61 0.00 0.00 59.70 59.00 1ifd h MET 28 Cb 0.62 -0.18 -0.00 0.00 0.43 0.00 0.00 31.60 32.46 1ifd h MET 28 CO 0.04 0.76 -0.17 0.28 -0.40 0.00 0.00 176.91 177.43 1ifd h VAL 29 N 0.95 0.43 -0.61 -5.77 2.07 -1.37 -1.80 116.25 110.14 1ifd h VAL 29 Ca 0.24 -0.94 -0.07 0.00 0.82 0.00 0.00 66.70 66.75 1ifd h VAL 29 Cb 0.10 1.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.52 1ifd h VAL 29 CO -0.03 0.16 0.12 0.58 0.02 0.00 0.00 177.57 178.42 1ifd h VAL 30 N 0.00 1.25 -0.22 2.57 2.07 -0.07 0.40 116.25 122.24 1ifd h VAL 30 Ca -0.00 -0.95 -0.13 0.00 0.82 0.00 0.00 66.70 66.44 1ifd h VAL 30 Cb 0.66 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1ifd h VAL 30 CO 0.02 0.35 -0.37 0.58 0.02 0.00 0.00 177.57 178.18 1ifd h VAL 31 N 0.93 1.32 -0.44 2.57 2.07 -0.82 -0.94 116.25 120.93 1ifd h VAL 31 Ca 0.19 -1.58 -0.08 0.00 0.82 0.00 0.00 66.70 66.05 1ifd h VAL 31 Cb 0.37 1.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.91 1ifd h VAL 31 CO 0.01 0.49 -0.04 0.40 0.02 0.00 0.00 177.57 178.45 1ifd h ILE 32 N 0.35 1.27 -0.00 4.57 2.04 -1.22 -1.18 117.51 123.33 1ifd h ILE 32 Ca 0.02 -1.11 -0.11 0.00 1.00 0.00 0.00 64.86 64.65 1ifd h ILE 32 Cb 0.96 1.09 -0.02 0.00 -0.74 0.00 0.00 36.82 38.12 1ifd h ILE 32 CO 0.08 0.38 -0.53 0.58 0.00 0.00 0.00 178.15 178.66 1ifd h VAL 33 N 0.65 1.38 -0.68 1.67 2.07 -0.95 -1.36 116.25 119.03 1ifd h VAL 33 Ca 0.12 -1.83 -0.08 0.00 0.82 0.00 0.00 66.70 65.73 1ifd h VAL 33 Cb 0.56 1.99 -0.03 0.00 -1.52 0.00 0.00 31.29 32.29 1ifd h VAL 33 CO 0.03 0.52 0.11 1.23 0.02 0.00 0.00 177.57 179.49 1ifd h GLY 34 N 1.60 1.22 1.12 2.17 0.00 -0.80 0.23 103.07 108.61 1ifd h GLY 34 Ca -0.01 -0.81 -0.08 0.00 0.00 0.00 0.00 47.33 46.44 1ifd h GLY 34 CO 0.07 0.75 0.08 0.00 0.00 0.00 0.00 176.54 177.44 1ifd h ALA 35 N 1.06 0.93 -0.17 3.60 0.00 -0.79 -1.84 119.26 122.04 1ifd h ALA 35 Ca 0.21 -0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.70 1ifd h ALA 35 Cb 0.44 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1ifd h ALA 35 CO 0.01 0.66 -0.49 1.15 0.00 0.00 0.00 179.25 180.58 1ifd h THR 36 N 1.00 1.32 -0.29 0.00 2.02 -0.70 -1.34 112.91 114.92 1ifd h THR 36 Ca 0.19 -1.71 -0.08 0.00 0.77 0.00 0.00 66.41 65.58 1ifd h THR 36 Cb 0.46 1.72 -0.01 0.00 -1.74 0.00 0.00 68.15 68.58 1ifd h THR 36 CO 0.02 0.53 -0.14 0.40 0.37 0.00 0.00 175.52 176.69 1ifd h ILE 37 N 0.37 1.29 0.03 3.11 2.04 -0.67 -1.22 117.51 122.46 1ifd h ILE 37 Ca 0.02 -1.23 -0.00 0.00 1.00 0.00 0.00 64.86 64.64 1ifd h ILE 37 Cb 0.99 1.48 0.00 0.00 -0.74 0.00 0.00 36.82 38.55 1ifd h ILE 37 CO 0.09 0.39 -0.02 1.23 0.00 0.00 0.00 178.15 179.84 1ifd h GLY 38 N 0.35 -0.05 1.32 5.37 0.00 -1.26 -1.85 103.07 106.96 1ifd h GLY 38 Ca 0.06 0.02 -0.11 0.00 0.00 0.00 0.00 47.33 47.30 1ifd h GLY 38 CO 0.04 -0.02 -0.21 -2.22 0.00 0.00 0.00 176.54 174.14 1ifd h ILE 39 N -0.32 1.27 0.00 2.60 2.04 -1.29 -1.86 117.51 119.95 1ifd h ILE 39 Ca -0.00 -1.32 -0.05 0.00 1.00 0.00 0.00 64.86 64.49 1ifd h ILE 39 Cb 0.30 1.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 1ifd h ILE 39 CO 0.01 0.44 -0.22 0.11 0.00 0.00 0.00 178.15 178.49 1ifd h LYS 40 N 0.69 0.00 -0.31 2.37 1.79 -1.21 -0.93 116.57 118.97 1ifd h LYS 40 Ca 0.10 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.44 1ifd h LYS 40 Cb 0.72 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.36 1ifd h LYS 40 CO 0.06 0.22 -0.32 -0.07 -1.08 0.00 0.00 179.45 178.25 1ifd h LEU 41 N 0.00 0.70 -0.70 2.94 3.38 -0.57 -0.69 115.31 120.38 1ifd h LEU 41 Ca -0.00 -0.28 0.03 0.00 0.09 0.00 0.00 57.88 57.71 1ifd h LEU 41 Cb 0.56 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 1ifd h LEU 41 CO 0.03 0.97 0.44 -0.26 0.09 0.00 0.00 178.44 179.71 1ifd h PHE 42 N 0.57 0.83 -0.46 1.13 -1.00 -0.44 -1.06 116.94 116.50 1ifd h PHE 42 Ca 0.06 0.02 -0.04 0.00 2.81 0.00 0.00 57.97 60.82 1ifd h PHE 42 Cb 0.83 -0.27 -0.02 0.00 3.61 0.00 0.00 35.95 40.10 1ifd h PHE 42 CO 0.04 0.48 0.11 0.87 -1.61 0.00 0.00 178.31 178.20 1ifd h LYS 43 N 0.87 0.69 -0.40 1.51 1.79 -1.10 -2.22 116.57 117.71 1ifd h LYS 43 Ca 0.28 -0.13 -0.01 0.00 -2.18 0.00 0.00 60.65 58.60 1ifd h LYS 43 Cb -0.01 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 30.52 1ifd h LYS 43 CO -0.10 0.63 0.19 0.87 -1.08 0.00 0.00 179.45 179.97 1ifd h LYS 44 N 0.67 0.57 -0.42 3.15 1.79 0.07 -1.66 116.57 120.76 1ifd h LYS 44 Ca 0.15 -0.08 0.05 0.00 -2.18 0.00 0.00 60.65 58.58 1ifd h LYS 44 Cb 0.26 -0.10 -0.04 0.00 -1.58 0.00 0.00 32.23 30.76 1ifd h LYS 44 CO -0.00 0.50 0.17 0.74 -1.08 0.00 0.00 179.45 179.78 1ifd h PHE 45 N 0.50 0.30 -0.62 -1.35 -1.00 -0.74 -1.13 116.94 112.91 1ifd h PHE 45 Ca 0.14 0.02 0.01 0.00 2.81 0.00 0.00 57.97 60.94 1ifd h PHE 45 Cb 0.12 -0.07 -0.03 0.00 3.61 0.00 0.00 35.95 39.57 1ifd h PHE 45 CO -0.01 0.13 0.41 1.15 -1.61 0.00 0.00 178.31 178.38 1ifd h THR 46 N 0.35 1.16 -0.24 -1.55 2.02 -1.18 -1.49 112.91 111.98 1ifd h THR 46 Ca 0.19 -0.29 -0.12 0.00 0.77 0.00 0.00 66.41 66.96 1ifd h THR 46 Cb 0.15 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 66.79 1ifd h THR 46 CO -0.17 0.15 -0.36 0.28 0.37 0.00 0.00 175.52 175.79 1ifd h SER 47 N 0.84 0.55 -0.13 4.18 0.02 -0.89 -1.76 113.55 116.36 1ifd h SER 47 Ca 0.23 -0.22 -0.12 0.00 -0.84 0.00 0.00 61.79 60.83 1ifd h SER 47 Cb -0.10 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.28 1ifd h SER 47 CO -0.05 0.86 -0.32 0.11 -1.14 0.00 0.00 176.83 176.29 1ifd h LYS 48 N 0.44 0.62 -0.12 3.45 1.79 -0.73 -2.25 116.57 119.77 1ifd h LYS 48 Ca 0.05 -0.28 -0.10 0.00 -2.18 0.00 0.00 60.65 58.13 1ifd h LYS 48 Cb 0.83 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.46 1ifd h LYS 48 CO 0.07 0.87 -0.38 0.00 -1.08 0.00 0.00 179.45 178.92 1ifd h ALA 49 N 1.12 1.12 0.00 3.86 0.00 -1.09 -3.52 119.26 120.76 1ifd h ALA 49 Ca 0.06 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1ifd h ALA 49 Cb 0.82 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1ifd h ALA 49 CO 0.07 0.57 0.00 0.43 0.00 0.00 0.00 179.25 180.32