#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ifk h ASP 2 N 0.00 0.16 -0.76 0.00 3.32 -2.06 -2.63 116.42 114.44 1ifk h ASP 2 Ca 0.00 -0.09 0.06 0.00 0.02 0.00 0.00 57.03 57.02 1ifk h ASP 2 Cb 0.00 -0.05 -0.06 0.00 0.22 0.00 0.00 39.33 39.45 1ifk h ASP 2 CO 0.00 0.73 0.46 0.44 -1.72 0.00 0.00 179.24 179.15 1ifk h ASP 3 N 0.10 0.71 -0.64 6.45 3.32 -2.06 -2.19 116.42 122.10 1ifk h ASP 3 Ca -0.01 0.02 0.13 0.00 0.02 0.00 0.00 57.03 57.19 1ifk h ASP 3 Cb 1.10 -0.13 -0.10 0.00 0.22 0.00 0.00 39.33 40.43 1ifk h ASP 3 CO 0.09 0.46 0.10 0.00 -1.72 0.00 0.00 179.24 178.17 1ifk h ALA 4 N 1.37 0.75 0.00 3.45 0.00 -1.99 -2.59 119.26 120.24 1ifk h ALA 4 Ca 0.33 0.16 -0.04 0.00 0.00 0.00 0.00 54.91 55.37 1ifk h ALA 4 Cb 0.16 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1ifk h ALA 4 CO -0.17 -0.34 -0.18 1.15 0.00 0.00 0.00 179.25 179.71 1ifk h THR 5 N 0.22 0.78 -0.38 0.00 2.02 -1.31 -2.53 112.91 111.70 1ifk h THR 5 Ca 0.35 -0.71 -0.01 0.00 0.77 0.00 0.00 66.41 66.80 1ifk h THR 5 Cb 0.55 1.43 -0.02 0.00 -1.74 0.00 0.00 68.15 68.38 1ifk h THR 5 CO -0.47 0.18 0.18 0.28 0.37 0.00 0.00 175.52 176.06 1ifk h SER 6 N 0.00 0.50 -0.03 4.18 0.02 -1.02 -0.82 113.55 116.38 1ifk h SER 6 Ca -0.00 -0.13 0.01 0.00 -0.84 0.00 0.00 61.79 60.83 1ifk h SER 6 Cb 0.42 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 1ifk h SER 6 CO 0.02 0.49 -0.03 1.56 -1.14 0.00 0.00 176.83 177.73 1ifk h GLN 7 N 0.48 -0.04 -0.98 3.45 1.08 -1.42 -2.69 115.11 114.99 1ifk h GLN 7 Ca 0.13 0.00 0.07 0.00 -1.45 0.00 0.00 58.65 57.40 1ifk h GLN 7 Cb 0.12 0.01 -0.07 0.00 -0.05 0.00 0.00 27.48 27.49 1ifk h GLN 7 CO -0.02 -0.03 0.63 0.00 -0.95 0.00 0.00 178.83 178.47 1ifk h ALA 8 N 0.99 1.44 0.22 3.87 0.00 -1.53 -2.94 119.26 121.31 1ifk h ALA 8 Ca 0.02 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1ifk h ALA 8 Cb 0.07 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1ifk h ALA 8 CO -0.05 0.40 -0.11 0.87 0.00 0.00 0.00 179.25 180.36 1ifk h LYS 9 N 1.13 -0.30 -0.80 0.00 1.57 -1.10 -1.72 116.57 115.36 1ifk h LYS 9 Ca 0.43 0.02 0.04 0.00 -1.87 0.00 0.00 60.65 59.27 1ifk h LYS 9 Cb 0.20 0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.53 1ifk h LYS 9 CO -0.17 -0.20 0.50 0.00 -0.57 0.00 0.00 179.45 179.01 1ifk h ALA 10 N 0.47 1.05 -0.45 3.86 0.00 -1.52 -1.76 119.26 120.92 1ifk h ALA 10 Ca -0.03 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1ifk h ALA 10 Cb 0.24 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1ifk h ALA 10 CO 0.05 0.30 0.06 0.00 0.00 0.00 0.00 179.25 179.65 1ifk h ALA 11 N 1.34 1.26 -0.20 0.00 0.00 -1.57 -2.50 119.26 117.59 1ifk h ALA 11 Ca 0.32 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 1ifk h ALA 11 Cb 0.05 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1ifk h ALA 11 CO -0.13 0.51 -0.18 0.74 0.00 0.00 0.00 179.25 180.20 1ifk h PHE 12 N 0.67 0.36 -0.47 0.00 0.04 -1.15 -1.86 116.94 114.53 1ifk h PHE 12 Ca 0.14 -0.05 -0.04 0.00 2.80 0.00 0.00 57.97 60.82 1ifk h PHE 12 Cb 0.34 -0.10 -0.02 0.00 2.20 0.00 0.00 35.95 38.37 1ifk h PHE 12 CO 0.02 0.50 0.15 -0.44 -0.60 0.00 0.00 178.31 177.93 1ifk h ASP 13 N 0.31 0.69 -0.98 2.17 3.32 -1.26 -1.75 116.42 118.92 1ifk h ASP 13 Ca 0.06 -0.20 0.01 0.00 0.02 0.00 0.00 57.03 56.91 1ifk h ASP 13 Cb 0.49 -0.18 -0.05 0.00 0.22 0.00 0.00 39.33 39.82 1ifk h ASP 13 CO 0.03 0.71 0.64 0.28 -1.72 0.00 0.00 179.24 179.18 1ifk h SER 14 N 0.63 1.13 -0.40 6.45 0.02 -1.45 -2.22 113.55 117.71 1ifk h SER 14 Ca 0.15 -0.03 -0.08 0.00 -0.84 0.00 0.00 61.79 60.99 1ifk h SER 14 Cb 0.27 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.50 1ifk h SER 14 CO -0.01 0.82 -0.04 -0.07 -1.14 0.00 0.00 176.83 176.40 1ifk h LEU 15 N 1.33 0.79 -0.39 5.07 3.38 -1.33 -1.82 115.31 122.34 1ifk h LEU 15 Ca 0.36 -0.21 -0.17 0.00 0.09 0.00 0.00 57.88 57.94 1ifk h LEU 15 Cb -0.14 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.39 1ifk h LEU 15 CO -0.08 0.88 -0.52 0.74 0.09 0.00 0.00 178.44 179.56 1ifk h THR 16 N 0.75 1.29 -0.71 0.22 2.02 -1.32 -1.98 112.91 113.18 1ifk h THR 16 Ca 0.14 -1.72 0.01 0.00 0.77 0.00 0.00 66.41 65.61 1ifk h THR 16 Cb 0.51 1.62 -0.04 0.00 -1.74 0.00 0.00 68.15 68.51 1ifk h THR 16 CO 0.03 0.55 0.47 0.00 0.37 0.00 0.00 175.52 176.94 1ifk h ALA 17 N 0.80 1.49 -0.76 6.16 0.00 -1.44 -1.99 119.26 123.53 1ifk h ALA 17 Ca 0.02 -0.05 0.08 0.00 0.00 0.00 0.00 54.91 54.96 1ifk h ALA 17 Cb 1.10 -0.29 -0.07 0.00 0.00 0.00 0.00 17.79 18.53 1ifk h ALA 17 CO 0.11 0.47 0.42 1.96 0.00 0.00 0.00 179.25 182.21 1ifk h GLN 18 N 0.97 0.71 -0.67 0.00 4.20 -1.31 -2.01 115.11 117.00 1ifk h GLN 18 Ca 0.26 -0.04 0.02 0.00 0.06 0.00 0.00 58.65 58.94 1ifk h GLN 18 Cb -0.11 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.47 1ifk h GLN 18 CO -0.06 0.47 0.44 0.00 -0.67 0.00 0.00 178.83 179.02 1ifk h ALA 19 N 1.41 1.56 -0.14 3.87 0.00 -1.06 -2.12 119.26 122.79 1ifk h ALA 19 Ca 0.36 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 55.09 1ifk h ALA 19 Cb 0.30 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1ifk h ALA 19 CO -0.23 0.40 -0.48 1.15 0.00 0.00 0.00 179.25 180.09 1ifk h THR 20 N 0.87 1.33 0.13 0.00 2.02 -1.24 -1.75 112.91 114.27 1ifk h THR 20 Ca 0.25 -1.70 -0.01 0.00 0.77 0.00 0.00 66.41 65.73 1ifk h THR 20 Cb -0.05 1.75 0.00 0.00 -1.74 0.00 0.00 68.15 68.12 1ifk h THR 20 CO -0.06 0.51 -0.06 -0.33 0.37 0.00 0.00 175.52 175.95 1ifk h GLU 21 N 0.28 -0.17 -0.18 6.66 5.08 -1.24 -1.42 114.58 123.59 1ifk h GLU 21 Ca 0.02 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1ifk h GLU 21 Cb 0.95 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.23 1ifk h GLU 21 CO 0.08 0.11 0.11 0.52 -1.00 0.00 0.00 179.01 178.83 1ifk h MET 22 N -0.45 0.25 -0.78 2.33 2.86 -1.50 -2.92 114.93 114.72 1ifk h MET 22 Ca -0.02 -0.03 0.18 0.00 -2.06 0.00 0.00 59.70 57.77 1ifk h MET 22 Cb 0.36 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 31.92 1ifk h MET 22 CO 0.03 0.23 0.53 0.77 1.06 0.00 0.00 176.91 179.53 1ifk h SER 23 N 0.21 0.29 -0.50 1.22 0.02 -1.42 -2.11 113.55 111.26 1ifk h SER 23 Ca 0.07 0.02 0.03 0.00 -0.84 0.00 0.00 61.79 61.06 1ifk h SER 23 Cb 0.05 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 62.52 1ifk h SER 23 CO -0.01 0.14 0.29 1.23 -1.14 0.00 0.00 176.83 177.33 1ifk h GLY 24 N 0.30 0.70 1.53 -3.77 0.00 -1.08 -1.77 103.07 98.99 1ifk h GLY 24 Ca 0.39 -0.21 0.06 0.00 0.00 0.00 0.00 47.33 47.57 1ifk h GLY 24 CO -0.10 0.17 0.17 -0.97 0.00 0.00 0.00 176.54 175.81 1ifk h TYR 25 N 0.57 0.03 -0.41 5.60 0.05 -1.27 -2.38 116.97 119.17 1ifk h TYR 25 Ca 0.21 0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.85 1ifk h TYR 25 Cb 0.04 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 37.76 1ifk h TYR 25 CO -0.07 0.02 -0.30 0.00 -1.05 0.00 0.00 178.16 176.76 1ifk h ALA 26 N 1.88 0.69 -0.49 3.88 0.00 -0.87 -1.03 119.26 123.32 1ifk h ALA 26 Ca 0.11 -0.42 0.01 0.00 0.00 0.00 0.00 54.91 54.62 1ifk h ALA 26 Cb 0.42 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1ifk h ALA 26 CO -0.01 0.67 0.32 -1.49 0.00 0.00 0.00 179.25 178.74 1ifk h TRP 27 N 0.76 0.60 -0.53 0.00 6.55 -1.26 -2.56 115.95 119.51 1ifk h TRP 27 Ca 0.08 0.02 -0.08 0.00 0.95 0.00 0.00 58.89 59.86 1ifk h TRP 27 Cb 0.87 -0.20 -0.02 0.00 -0.86 0.00 0.00 29.16 28.95 1ifk h TRP 27 CO 0.05 0.37 -0.01 0.00 -1.05 0.00 0.00 178.44 177.80 1ifk h ALA 28 N 1.19 0.99 -0.40 1.49 0.00 -1.45 -0.67 119.26 120.41 1ifk h ALA 28 Ca 0.19 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1ifk h ALA 28 Cb -0.05 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1ifk h ALA 28 CO -0.06 0.62 0.23 1.25 0.00 0.00 0.00 179.25 181.29 1ifk h LEU 29 N 0.83 0.50 -1.53 0.00 6.46 -1.24 -2.56 115.31 117.77 1ifk h LEU 29 Ca 0.16 -0.08 -0.01 0.00 -0.12 0.00 0.00 57.88 57.82 1ifk h LEU 29 Cb 0.50 -0.13 -0.00 0.00 -0.73 0.00 0.00 40.66 40.30 1ifk h LEU 29 CO 0.02 0.44 -0.06 0.58 -0.62 0.00 0.00 178.44 178.80 1ifk h VAL 30 N 0.52 0.18 -0.13 1.05 2.07 -1.49 -2.39 116.25 116.06 1ifk h VAL 30 Ca 0.14 -0.62 0.05 0.00 0.82 0.00 0.00 66.70 67.09 1ifk h VAL 30 Cb 0.04 1.52 -0.06 0.00 -1.52 0.00 0.00 31.29 31.28 1ifk h VAL 30 CO -0.02 0.06 -0.25 0.58 0.02 0.00 0.00 177.57 177.96 1ifk h VAL 31 N 0.00 0.40 -0.13 2.57 2.07 -0.89 -1.71 116.25 118.55 1ifk h VAL 31 Ca -0.00 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.37 1ifk h VAL 31 Cb 0.51 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 1ifk h VAL 31 CO 0.01 0.00 -0.54 -0.07 0.02 0.00 0.00 177.57 176.98 1ifk h LEU 32 N -0.32 0.41 -0.51 2.57 3.38 -1.26 -1.34 115.31 118.24 1ifk h LEU 32 Ca 0.10 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.80 1ifk h LEU 32 Cb 0.47 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1ifk h LEU 32 CO -0.31 0.88 0.11 0.58 0.09 0.00 0.00 178.44 179.79 1ifk h VAL 33 N 0.29 1.24 -0.18 1.22 2.07 -1.51 -2.36 116.25 117.01 1ifk h VAL 33 Ca 0.01 -0.88 -0.07 0.00 0.82 0.00 0.00 66.70 66.57 1ifk h VAL 33 Cb 1.05 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 1ifk h VAL 33 CO 0.09 0.32 -0.19 0.58 0.02 0.00 0.00 177.57 178.39 1ifk h VAL 34 N 0.72 1.22 -0.83 2.57 2.07 -1.31 -2.02 116.25 118.67 1ifk h VAL 34 Ca 0.16 -1.01 0.02 0.00 0.82 0.00 0.00 66.70 66.70 1ifk h VAL 34 Cb 0.36 1.29 -0.05 0.00 -1.52 0.00 0.00 31.29 31.37 1ifk h VAL 34 CO 0.00 0.31 0.54 1.23 0.02 0.00 0.00 177.57 179.67 1ifk h GLY 35 N 0.90 1.19 0.66 2.17 0.00 -1.23 -1.18 103.07 105.57 1ifk h GLY 35 Ca 0.05 -0.41 0.06 0.00 0.00 0.00 0.00 47.33 47.03 1ifk h GLY 35 CO 0.03 0.37 0.29 0.00 0.00 0.00 0.00 176.54 177.23 1ifk h ALA 36 N 1.33 0.75 -0.35 3.60 0.00 -1.25 -2.33 119.26 121.01 1ifk h ALA 36 Ca 0.32 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 55.13 1ifk h ALA 36 Cb -0.04 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1ifk h ALA 36 CO -0.10 -0.06 -0.31 1.15 0.00 0.00 0.00 179.25 179.93 1ifk h THR 37 N 0.55 1.28 -0.19 0.00 2.02 -1.27 -1.96 112.91 113.34 1ifk h THR 37 Ca 0.26 -1.46 -0.04 0.00 0.77 0.00 0.00 66.41 65.95 1ifk h THR 37 Cb 0.19 1.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.94 1ifk h THR 37 CO -0.19 0.48 -0.02 0.58 0.37 0.00 0.00 175.52 176.74 1ifk h VAL 38 N 0.64 1.27 0.72 3.16 2.07 -1.27 -1.39 116.25 121.45 1ifk h VAL 38 Ca 0.07 -0.95 -0.03 0.00 0.82 0.00 0.00 66.70 66.62 1ifk h VAL 38 Cb 0.84 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 32.13 1ifk h VAL 38 CO 0.07 0.28 -0.48 1.23 0.02 0.00 0.00 177.57 178.69 1ifk h GLY 39 N 0.08 -1.31 0.33 2.17 0.00 -1.50 -2.30 103.07 100.54 1ifk h GLY 39 Ca 0.05 0.55 0.10 0.00 0.00 0.00 0.00 47.33 48.03 1ifk h GLY 39 CO 0.01 -0.43 0.19 -2.22 0.00 0.00 0.00 176.54 174.09 1ifk h ILE 40 N -1.14 0.73 -0.07 2.60 2.04 -1.48 -2.10 117.51 118.09 1ifk h ILE 40 Ca -0.10 -0.12 -0.08 0.00 1.00 0.00 0.00 64.86 65.57 1ifk h ILE 40 Cb 0.93 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 1ifk h ILE 40 CO 0.07 0.06 -0.30 0.11 0.00 0.00 0.00 178.15 178.09 1ifk h LYS 41 N 0.35 0.13 -0.37 2.37 1.79 -1.32 -2.11 116.57 117.40 1ifk h LYS 41 Ca 0.30 -0.05 -0.05 0.00 -2.18 0.00 0.00 60.65 58.68 1ifk h LYS 41 Cb 0.40 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 31.02 1ifk h LYS 41 CO -0.33 0.43 0.01 -0.07 -1.08 0.00 0.00 179.45 178.41 1ifk h LEU 42 N 0.12 0.55 -0.30 2.94 3.38 -1.27 -1.57 115.31 119.15 1ifk h LEU 42 Ca 0.02 -0.11 0.06 0.00 0.09 0.00 0.00 57.88 57.94 1ifk h LEU 42 Cb 0.60 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.15 1ifk h LEU 42 CO 0.04 0.61 -0.10 -0.26 0.09 0.00 0.00 178.44 178.82 1ifk h PHE 43 N 0.56 -0.23 -0.28 1.13 0.04 -0.97 -2.10 116.94 115.09 1ifk h PHE 43 Ca 0.12 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.92 1ifk h PHE 43 Cb 0.34 0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.62 1ifk h PHE 43 CO 0.01 -0.16 0.17 0.87 -0.60 0.00 0.00 178.31 178.60 1ifk h LYS 44 N -0.04 0.37 -0.26 1.51 1.79 -1.37 -2.39 116.57 116.17 1ifk h LYS 44 Ca 0.15 -0.03 0.02 0.00 -2.18 0.00 0.00 60.65 58.61 1ifk h LYS 44 Cb 0.27 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 30.81 1ifk h LYS 44 CO -0.33 0.26 0.12 0.87 -1.08 0.00 0.00 179.45 179.29 1ifk h LYS 45 N 0.38 0.25 -0.77 3.15 1.79 -1.05 -2.55 116.57 117.78 1ifk h LYS 45 Ca 0.10 -0.02 0.08 0.00 -2.18 0.00 0.00 60.65 58.64 1ifk h LYS 45 Cb -0.02 -0.06 -0.05 0.00 -1.58 0.00 0.00 32.23 30.52 1ifk h LYS 45 CO -0.02 0.17 0.50 0.74 -1.08 0.00 0.00 179.45 179.76 1ifk h PHE 46 N 0.26 0.77 0.17 -1.35 -1.00 -1.26 -1.11 116.94 113.42 1ifk h PHE 46 Ca 0.11 0.02 0.01 0.00 2.81 0.00 0.00 57.97 60.92 1ifk h PHE 46 Cb 0.04 -0.25 -0.04 0.00 3.61 0.00 0.00 35.95 39.31 1ifk h PHE 46 CO -0.10 0.38 -0.47 0.28 -1.61 0.00 0.00 178.31 176.78 1ifk h VAL 47 N 0.74 0.08 -0.08 -0.55 2.07 -1.22 -2.25 116.25 115.04 1ifk h VAL 47 Ca 0.35 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.83 1ifk h VAL 47 Cb 0.38 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 1ifk h VAL 47 CO -0.13 0.00 -0.12 0.28 0.02 0.00 0.00 177.57 177.63 1ifk h SER 48 N -0.74 0.10 -0.05 0.57 0.02 -1.37 -2.45 113.55 109.63 1ifk h SER 48 Ca 0.00 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.92 1ifk h SER 48 Cb 0.74 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 63.25 1ifk h SER 48 CO -0.24 0.24 -0.00 0.03 -1.14 0.00 0.00 176.83 175.72 1ifk h ARG 49 N 0.11 0.10 0.00 3.45 2.47 -1.12 -3.02 114.38 116.37 1ifk h ARG 49 Ca 0.02 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.71 1ifk h ARG 49 Cb 0.28 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.59 1ifk h ARG 49 CO 0.02 0.39 0.00 0.00 0.56 0.00 0.00 179.97 180.94 1ifk h ALA 50 N 0.70 1.00 0.00 0.04 0.00 -1.49 -3.51 119.26 116.00 1ifk h ALA 50 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ifk h ALA 50 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1ifk h ALA 50 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.68