#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a0h n ILE 12 N 0.00 -0.74 -1.67 1.09 -6.64 -1.26 -4.93 119.36 105.21 3a0h n ILE 12 Ca 0.00 0.00 -0.43 0.00 -1.77 0.00 0.00 62.75 60.55 3a0h n ILE 12 Cb 0.00 -2.71 -0.01 0.00 -1.44 0.00 0.00 39.64 35.48 3a0h n ILE 12 CO 0.00 0.00 0.00 0.41 -1.77 0.00 0.00 176.55 175.19 3a0h n THR 13 N -3.59 2.01 -0.46 7.28 -1.04 -1.26 -4.43 114.28 112.78 3a0h n THR 13 Ca -0.24 -0.50 0.38 0.00 -2.04 0.00 0.00 64.05 61.66 3a0h n THR 13 Cb 0.69 -1.40 0.63 0.00 -1.82 0.00 0.00 70.33 68.42 3a0h n THR 13 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3a0h n PRO 14 N 0.59 -0.03 -0.03 -2.82 -0.02 -1.26 0.20 135.00 131.63 3a0h n PRO 14 Ca 0.06 1.09 -0.13 0.00 -2.02 0.00 0.00 63.50 62.50 3a0h n PRO 14 Cb 0.35 -2.21 -0.09 0.00 -0.02 0.00 0.00 33.50 31.53 3a0h n PRO 14 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3a0h h SER 15 N 0.00 0.10 -0.46 2.55 4.64 -1.99 -1.79 113.55 116.60 3a0h h SER 15 Ca 0.80 -0.51 0.05 0.00 -0.47 0.00 0.00 61.79 61.65 3a0h h SER 15 Cb 2.70 -0.03 -0.04 0.00 -0.31 0.00 0.00 62.40 64.71 3a0h h SER 15 CO -0.33 0.60 0.21 0.25 -0.87 0.00 0.00 176.83 176.68 3a0h h LEU 16 N -0.39 0.28 -1.79 5.97 6.46 0.19 0.15 115.31 126.18 3a0h h LEU 16 Ca 0.00 0.04 0.01 0.00 -0.12 0.00 0.00 57.88 57.81 3a0h h LEU 16 Cb 0.57 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.48 3a0h h LEU 16 CO 0.01 0.20 0.15 0.50 -0.62 0.00 0.00 178.44 178.68 3a0h h LYS 17 N 0.42 0.28 -0.71 1.25 3.64 -1.21 0.22 116.57 120.46 3a0h h LYS 17 Ca 0.21 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 3a0h h LYS 17 Cb 0.15 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.87 3a0h h LYS 17 CO -0.17 0.18 0.45 0.78 -2.27 0.00 0.00 179.45 178.43 3a0h h GLY 18 N 0.29 1.02 0.75 5.01 0.00 0.18 -1.72 103.07 108.59 3a0h h GLY 18 Ca 0.08 -0.40 -0.02 0.00 0.00 0.00 0.00 47.33 46.99 3a0h h GLY 18 CO -0.02 0.39 -0.21 -2.75 0.00 0.00 0.00 176.54 173.96 3a0h h PHE 19 N 0.97 -0.53 -0.72 5.60 3.57 0.46 -1.25 116.94 125.03 3a0h h PHE 19 Ca 0.26 -0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.89 3a0h h PHE 19 Cb -0.07 0.18 -0.14 0.00 2.79 0.00 0.00 35.95 38.71 3a0h h PHE 19 CO -0.02 -0.22 -0.21 0.74 -2.23 0.00 0.00 178.31 176.37 3a0h h PHE 20 N -0.84 -0.50 -0.81 0.41 0.04 -1.29 1.73 116.94 115.68 3a0h h PHE 20 Ca -0.06 0.07 0.18 0.00 2.80 0.00 0.00 57.97 60.96 3a0h h PHE 20 Cb 0.55 0.33 -0.11 0.00 2.20 0.00 0.00 35.95 38.92 3a0h h PHE 20 CO 0.01 -0.33 0.28 0.82 -0.60 0.00 0.00 178.31 178.48 3a0h h ILE 21 N -0.03 0.52 -0.45 -0.55 2.04 -1.15 0.30 117.51 118.18 3a0h h ILE 21 Ca 0.33 -0.12 -0.04 0.00 1.00 0.00 0.00 64.86 66.03 3a0h h ILE 21 Cb 0.54 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 3a0h h ILE 21 CO -0.75 0.06 0.11 1.23 0.00 0.00 0.00 178.15 178.80 3a0h h GLY 22 N 0.35 0.77 0.75 5.37 0.00 0.35 -1.66 103.07 109.01 3a0h h GLY 22 Ca 0.47 -0.48 0.02 0.00 0.00 0.00 0.00 47.33 47.33 3a0h h GLY 22 CO -0.51 0.45 -0.11 -2.00 0.00 0.00 0.00 176.54 174.38 3a0h h LEU 23 N 0.60 -0.31 -0.79 3.11 6.46 0.33 0.31 115.31 125.03 3a0h h LEU 23 Ca 0.14 0.04 0.10 0.00 -0.12 0.00 0.00 57.88 58.05 3a0h h LEU 23 Cb 0.32 0.13 -0.08 0.00 -0.73 0.00 0.00 40.66 40.30 3a0h h LEU 23 CO 0.00 -0.16 0.42 -0.07 -0.62 0.00 0.00 178.44 178.02 3a0h h LEU 24 N -0.20 0.57 -0.75 2.25 -0.00 -0.57 0.35 115.31 116.96 3a0h h LEU 24 Ca 0.03 0.06 -0.07 0.00 -0.00 0.00 0.00 57.88 57.90 3a0h h LEU 24 Cb 0.23 -0.04 -0.03 0.00 -0.00 0.00 0.00 40.66 40.83 3a0h h LEU 24 CO -0.09 0.31 0.11 0.77 -0.00 0.00 0.00 178.44 179.53 3a0h h SER 25 N 0.69 1.01 -0.24 -0.43 4.64 -0.94 0.64 113.55 118.91 3a0h h SER 25 Ca 0.39 -0.23 -0.01 0.00 -0.47 0.00 0.00 61.79 61.47 3a0h h SER 25 Cb 0.42 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 3a0h h SER 25 CO -0.28 1.00 0.12 1.23 -0.87 0.00 0.00 176.83 178.03 3a0h h GLY 26 N 1.04 0.36 1.60 -0.77 0.00 0.14 -1.29 103.07 104.16 3a0h h GLY 26 Ca 0.20 -0.18 -0.04 0.00 0.00 0.00 0.00 47.33 47.31 3a0h h GLY 26 CO 0.01 0.17 0.02 0.00 0.00 0.00 0.00 176.54 176.74 3a0h h ALA 27 N 0.99 1.42 -0.21 3.60 0.00 -0.15 -2.35 119.26 122.56 3a0h h ALA 27 Ca 0.08 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 3a0h h ALA 27 Cb 0.10 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3a0h h ALA 27 CO -0.01 0.41 0.02 0.28 0.00 0.00 0.00 179.25 179.95 3a0h h VAL 28 N 0.49 1.24 -0.28 0.00 2.07 -0.35 0.23 116.25 119.65 3a0h h VAL 28 Ca 0.11 -0.81 -0.16 0.00 0.82 0.00 0.00 66.70 66.66 3a0h h VAL 28 Cb 0.28 1.36 -0.00 0.00 -1.52 0.00 0.00 31.29 31.41 3a0h h VAL 28 CO 0.01 0.25 -0.48 0.58 0.02 0.00 0.00 177.57 177.95 3a0h h VAL 29 N 0.14 1.29 0.20 2.57 2.07 -1.11 0.96 116.25 122.37 3a0h h VAL 29 Ca 0.06 -1.67 -0.01 0.00 0.82 0.00 0.00 66.70 65.90 3a0h h VAL 29 Cb 0.35 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 3a0h h VAL 29 CO 0.01 0.54 -0.10 -0.07 0.02 0.00 0.00 177.57 177.97 3a0h h LEU 30 N 0.60 -0.23 -0.10 2.57 3.38 -1.45 -2.40 115.31 117.69 3a0h h LEU 30 Ca 0.03 -0.29 0.04 0.00 0.09 0.00 0.00 57.88 57.75 3a0h h LEU 30 Cb 1.05 0.06 -0.06 0.00 0.09 0.00 0.00 40.66 41.80 3a0h h LEU 30 CO 0.10 0.24 -0.27 1.23 0.09 0.00 0.00 178.44 179.83 3a0h h GLY 31 N -0.77 -0.35 0.65 0.83 0.00 -0.53 0.31 103.07 103.21 3a0h h GLY 31 Ca -0.03 0.33 0.05 0.00 0.00 0.00 0.00 47.33 47.69 3a0h h GLY 31 CO 0.05 -0.21 0.19 1.41 0.00 0.00 0.00 176.54 177.98 3a0h h LEU 32 N -0.36 0.24 -0.47 3.11 3.38 -0.91 -2.15 115.31 118.15 3a0h h LEU 32 Ca 0.09 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.15 3a0h h LEU 32 Cb 0.50 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.21 3a0h h LEU 32 CO -0.30 0.17 0.20 0.74 0.09 0.00 0.00 178.44 179.35 3a0h h THR 33 N 0.39 0.91 -0.32 0.22 2.02 -0.74 -2.28 112.91 113.11 3a0h h THR 33 Ca 0.21 -0.14 -0.11 0.00 0.77 0.00 0.00 66.41 67.14 3a0h h THR 33 Cb 0.17 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.04 3a0h h THR 33 CO -0.19 0.07 -0.22 -0.26 0.37 0.00 0.00 175.52 175.30 3a0h h PHE 34 N 0.41 0.84 -0.16 3.16 -1.00 -0.67 -2.24 116.94 117.28 3a0h h PHE 34 Ca 0.21 -0.23 0.04 0.00 2.81 0.00 0.00 57.97 60.81 3a0h h PHE 34 Cb 0.17 -0.19 -0.04 0.00 3.61 0.00 0.00 35.95 39.50 3a0h h PHE 34 CO -0.13 0.96 -0.11 0.00 -1.61 0.00 0.00 178.31 177.43 3a0h h ALA 35 N 0.75 0.02 -0.61 2.45 0.00 -1.19 0.63 119.26 121.31 3a0h h ALA 35 Ca 0.06 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3a0h h ALA 35 Cb 0.77 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 3a0h h ALA 35 CO 0.06 -0.55 0.32 -0.24 0.00 0.00 0.00 179.25 178.84 3a0h h VAL 36 N -0.11 1.19 -0.47 0.00 3.04 -1.42 -0.92 116.25 117.56 3a0h h VAL 36 Ca 0.09 -0.51 -0.09 0.00 -1.01 0.00 0.00 66.70 65.19 3a0h h VAL 36 Cb 0.25 0.38 -0.02 0.00 -2.01 0.00 0.00 31.29 29.89 3a0h h VAL 36 CO -0.22 0.22 -0.06 -0.07 -1.01 0.00 0.00 177.57 176.43 3a0h h LEU 37 N 0.86 0.86 -0.88 3.16 3.38 -0.39 -0.52 115.31 121.78 3a0h h LEU 37 Ca 0.22 -0.34 -0.12 0.00 0.09 0.00 0.00 57.88 57.73 3a0h h LEU 37 Cb 0.05 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 3a0h h LEU 37 CO -0.03 0.99 -0.50 0.40 0.09 0.00 0.00 178.44 179.39 3a0h h ILE 38 N 0.71 1.35 0.96 1.22 1.08 0.47 -2.29 117.51 121.00 3a0h h ILE 38 Ca 0.13 -1.73 -0.05 0.00 -0.39 0.00 0.00 64.86 62.82 3a0h h ILE 38 Cb 0.58 1.87 0.01 0.00 -3.07 0.00 0.00 36.82 36.21 3a0h h ILE 38 CO 0.04 0.51 -0.46 0.00 -0.69 0.00 0.00 178.15 177.54 3a0h h ALA 39 N 1.37 -1.28 -0.08 1.87 0.00 -0.75 -0.88 119.26 119.52 3a0h h ALA 39 Ca 0.00 -0.28 -0.07 0.00 0.00 0.00 0.00 54.91 54.57 3a0h h ALA 39 Cb 0.93 0.50 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 3a0h h ALA 39 CO 0.07 -1.20 -0.26 0.82 0.00 0.00 0.00 179.25 178.68 3a0h h ILE 40 N -1.32 1.22 -0.05 0.00 2.04 -1.13 -1.79 117.51 116.48 3a0h h ILE 40 Ca -0.13 -1.04 -0.09 0.00 1.00 0.00 0.00 64.86 64.60 3a0h h ILE 40 Cb 0.98 1.46 -0.01 0.00 -0.74 0.00 0.00 36.82 38.51 3a0h h ILE 40 CO 0.22 0.31 -0.40 -1.28 0.00 0.00 0.00 178.15 176.99 3a0h h SER 41 N 0.12 0.10 0.68 1.72 0.87 -1.36 -2.63 113.55 113.05 3a0h h SER 41 Ca 0.02 -0.04 -0.10 0.00 -1.23 0.00 0.00 61.79 60.44 3a0h h SER 41 Cb 0.53 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.45 3a0h h SER 41 CO 0.04 0.50 -0.47 -0.61 -0.53 0.00 0.00 176.83 175.76 3a0h h GLN 42 N 0.08 0.00 -2.58 2.24 5.75 -0.29 -3.28 115.11 117.03 3a0h h GLN 42 Ca 0.01 0.00 -0.63 0.00 -0.15 0.00 0.00 58.65 57.88 3a0h h GLN 42 Cb 0.75 0.00 -0.08 0.00 1.07 0.00 0.00 27.48 29.22 3a0h h GLN 42 CO 0.06 0.47 2.29 -0.89 -2.65 0.00 0.00 178.83 178.10 3a0h n ILE 43 N -3.71 4.46 -0.05 2.39 -0.00 -0.99 -5.10 119.36 116.37 3a0h n ILE 43 Ca -0.01 -3.30 0.00 0.00 -0.00 0.00 0.00 62.75 59.44 3a0h n ILE 43 Cb 0.53 -2.17 0.00 0.00 -0.00 0.00 0.00 39.64 38.00 3a0h n ILE 43 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 176.55 175.88