#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g36 s ASP 47 N 0.00 6.02 0.35 4.52 3.68 -1.26 -4.86 116.67 125.12 3g36 s ASP 47 Ca 0.00 -0.53 0.12 0.00 2.13 0.00 0.00 52.55 54.27 3g36 s ASP 47 Cb 0.00 -2.56 0.66 0.00 -1.45 0.00 0.00 42.92 39.57 3g36 s ASP 47 CO 0.00 -1.92 1.79 -0.07 0.13 0.00 0.00 175.17 175.11 3g36 h LEU 48 N 13.84 0.03 -2.17 -1.34 3.38 -2.01 -2.72 115.31 124.32 3g36 h LEU 48 Ca -0.16 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 3g36 h LEU 48 Cb 1.06 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.80 3g36 h LEU 48 CO 1.30 0.43 -0.05 1.56 0.09 0.00 0.00 178.44 181.76 3g36 h GLN 49 N 0.03 0.00 -0.00 1.13 4.20 -2.01 -1.67 115.11 116.79 3g36 h GLN 49 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3g36 h GLN 49 Cb 0.71 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.49 3g36 h GLN 49 CO 0.05 0.05 -0.27 -1.13 -0.67 0.00 0.00 178.83 176.86 3g36 n SER 50 N -3.38 0.35 -4.78 1.46 3.41 -1.02 -4.91 113.62 104.75 3g36 n SER 50 Ca -0.02 -0.07 -0.39 0.00 -0.26 0.00 0.00 58.87 58.13 3g36 n SER 50 Cb 0.19 -0.05 -0.06 0.00 -0.26 0.00 0.00 64.21 64.03 3g36 n SER 50 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3g36 s LEU 51 N -2.91 4.56 0.93 1.04 1.43 -0.63 -5.06 118.68 118.03 3g36 s LEU 51 Ca 0.15 1.49 -0.11 0.00 -1.03 0.00 0.00 54.13 54.64 3g36 s LEU 51 Cb 0.18 -3.15 0.15 0.00 0.03 0.00 0.00 46.19 43.40 3g36 s LEU 51 CO 0.61 0.21 1.11 -2.84 0.23 0.00 0.00 176.35 175.67 3g36 s PRO 52 N -1.00 0.95 0.19 1.29 0.02 -1.26 -4.65 135.00 130.54 3g36 s PRO 52 Ca 0.34 1.30 -0.18 0.00 0.02 0.00 0.00 61.00 62.48 3g36 s PRO 52 Cb -0.22 -1.74 0.16 0.00 0.02 0.00 0.00 34.50 32.73 3g36 s PRO 52 CO 0.23 -2.59 1.61 1.15 -0.33 0.00 0.00 177.00 177.07 3g36 h THR 53 N -1.83 0.27 -0.59 0.99 2.02 -1.97 0.17 112.91 111.97 3g36 h THR 53 Ca -0.47 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 66.62 3g36 h THR 53 Cb 1.27 0.27 -0.02 0.00 -1.74 0.00 0.00 68.15 67.93 3g36 h THR 53 CO 0.46 0.00 -0.01 0.03 0.37 0.00 0.00 175.52 176.37 3g36 h ARG 54 N -0.11 1.05 -0.62 6.66 3.08 -2.00 -0.87 114.38 121.57 3g36 h ARG 54 Ca 0.25 -0.34 -0.08 0.00 0.07 0.00 0.00 59.98 59.88 3g36 h ARG 54 Cb 0.51 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.45 3g36 h ARG 54 CO -0.64 1.04 0.08 0.00 -1.07 0.00 0.00 179.97 179.37 3g36 h ALA 55 N 0.97 0.95 0.02 0.04 0.00 -1.77 0.38 119.26 119.85 3g36 h ALA 55 Ca 0.17 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3g36 h ALA 55 Cb 0.57 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 3g36 h ALA 55 CO 0.03 0.65 -0.03 -0.92 0.00 0.00 0.00 179.25 178.98 3g36 h TYR 56 N 0.97 -0.08 -0.32 0.00 3.20 -0.43 -0.16 116.97 120.14 3g36 h TYR 56 Ca 0.19 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.05 3g36 h TYR 56 Cb 0.45 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.74 3g36 h TYR 56 CO 0.03 -0.05 0.15 -0.07 -1.64 0.00 0.00 178.16 176.58 3g36 h LEU 57 N -0.07 0.43 -1.27 2.82 3.38 -0.97 -1.91 115.31 117.72 3g36 h LEU 57 Ca 0.01 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 57.85 3g36 h LEU 57 Cb 0.07 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 3g36 h LEU 57 CO -0.02 0.45 0.50 0.44 0.09 0.00 0.00 178.44 179.90 3g36 h ASP 58 N 0.38 0.85 1.19 -0.43 5.19 -0.74 -1.24 116.42 121.62 3g36 h ASP 58 Ca 0.11 -0.02 -0.12 0.00 -0.62 0.00 0.00 57.03 56.38 3g36 h ASP 58 Cb 0.14 -0.21 -0.02 0.00 0.18 0.00 0.00 39.33 39.42 3g36 h ASP 58 CO -0.01 0.60 -0.85 1.56 -3.12 0.00 0.00 179.24 177.42 3g36 h GLN 59 N 0.99 0.00 0.00 3.56 1.08 -0.87 -3.35 115.11 116.53 3g36 h GLN 59 Ca 0.28 0.00 -0.37 0.00 -1.45 0.00 0.00 58.65 57.12 3g36 h GLN 59 Cb -0.08 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.30 3g36 h GLN 59 CO -0.07 0.39 -2.00 0.25 -0.95 0.00 0.00 178.83 176.45 3g36 n THR 60 N -3.07 1.54 -0.00 -0.54 -2.24 -0.73 -4.83 114.28 104.40 3g36 n THR 60 Ca -0.02 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 3g36 n THR 60 Cb 0.76 -1.93 -0.01 0.00 -2.10 0.00 0.00 70.33 67.06 3g36 n THR 60 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 3g36 n VAL 61 N -4.27 0.02 -0.08 2.28 0.24 -0.51 -4.77 118.33 111.25 3g36 n VAL 61 Ca -0.45 -0.03 -0.09 0.00 -2.04 0.00 0.00 64.34 61.73 3g36 n VAL 61 Cb 0.81 -0.03 -0.02 0.00 -1.47 0.00 0.00 33.84 33.13 3g36 n VAL 61 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 3g36 h VAL 62 N 0.00 1.08 -0.21 3.34 2.07 -1.58 -1.85 116.25 119.10 3g36 h VAL 62 Ca -0.01 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.35 3g36 h VAL 62 Cb 0.40 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 3g36 h VAL 62 CO 0.00 0.08 0.13 -0.65 0.02 0.00 0.00 177.57 177.15 3g36 h PRO 63 N 0.37 0.27 -0.35 1.57 0.11 -1.87 -0.95 132.00 131.15 3g36 h PRO 63 Ca 0.10 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 66.15 3g36 h PRO 63 Cb -0.03 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.00 3g36 h PRO 63 CO -0.02 0.18 0.01 0.97 -0.21 0.00 0.00 178.00 178.92 3g36 h ILE 64 N 0.28 1.20 -0.78 4.15 2.10 -1.85 -2.04 117.51 120.57 3g36 h ILE 64 Ca 0.08 -0.78 -0.04 0.00 1.08 0.00 0.00 64.86 65.20 3g36 h ILE 64 Cb -0.03 0.92 -0.04 0.00 -1.09 0.00 0.00 36.82 36.59 3g36 h ILE 64 CO -0.02 0.27 0.34 -0.07 -1.08 0.00 0.00 178.15 177.59 3g36 h LEU 65 N 0.52 1.05 -0.32 2.19 3.38 -0.89 0.18 115.31 121.42 3g36 h LEU 65 Ca 0.11 -0.15 0.02 0.00 0.09 0.00 0.00 57.88 57.95 3g36 h LEU 65 Cb 0.32 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3g36 h LEU 65 CO 0.01 0.92 0.18 -0.07 0.09 0.00 0.00 178.44 179.57 3g36 h LEU 66 N 1.13 0.29 -0.39 1.67 3.38 -0.49 -2.88 115.31 118.01 3g36 h LEU 66 Ca 0.27 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.19 3g36 h LEU 66 Cb 0.17 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3g36 h LEU 66 CO -0.03 0.21 0.03 -0.61 0.09 0.00 0.00 178.44 178.14 3g36 h GLN 67 N 0.37 0.67 -1.52 1.13 4.15 -1.21 -1.70 115.11 116.99 3g36 h GLN 67 Ca 0.13 -0.20 0.00 0.00 0.77 0.00 0.00 58.65 59.35 3g36 h GLN 67 Cb 0.01 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 27.63 3g36 h GLN 67 CO -0.07 0.74 0.00 0.41 -1.93 0.00 0.00 178.83 177.98 3g36 n GLY 68 N -0.42 0.20 2.05 2.39 0.00 0.60 -1.67 105.19 108.35 3g36 n GLY 68 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3g36 n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g36 n ALA 70 N 0.84 0.00 -0.13 4.61 0.00 -0.64 -0.93 120.51 124.27 3g36 n ALA 70 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 3g36 n ALA 70 Cb 0.05 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.48 3g36 n ALA 70 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3g36 h VAL 71 N 0.00 1.28 -0.45 0.00 2.07 -1.60 -1.57 116.25 115.98 3g36 h VAL 71 Ca 0.00 -1.21 0.06 0.00 0.82 0.00 0.00 66.70 66.37 3g36 h VAL 71 Cb 0.00 1.28 -0.05 0.00 -1.52 0.00 0.00 31.29 31.00 3g36 h VAL 71 CO 0.00 0.40 0.15 0.25 0.02 0.00 0.00 177.57 178.39 3g36 h LEU 72 N 0.55 0.14 -0.74 2.57 5.85 -1.30 0.78 115.31 123.17 3g36 h LEU 72 Ca 0.09 0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.82 3g36 h LEU 72 Cb 0.65 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.69 3g36 h LEU 72 CO 0.04 0.11 0.28 0.00 -0.34 0.00 0.00 178.44 178.54 3g36 h ALA 73 N 1.30 0.96 -0.25 1.25 0.00 -1.77 0.47 119.26 121.22 3g36 h ALA 73 Ca 0.21 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 3g36 h ALA 73 Cb 0.22 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 3g36 h ALA 73 CO -0.23 0.59 -0.29 -0.22 0.00 0.00 0.00 179.25 179.11 3g36 h LYS 74 N 1.06 0.63 0.00 0.00 3.64 -0.86 -3.36 116.57 117.68 3g36 h LYS 74 Ca 0.24 -0.35 -0.20 0.00 -1.27 0.00 0.00 60.65 59.08 3g36 h LYS 74 Cb 0.23 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.04 3g36 h LYS 74 CO -0.02 0.95 -1.39 0.93 -2.27 0.00 0.00 179.45 177.65 3g36 h GLU 75 N 0.34 0.00 -6.41 1.90 4.39 -0.73 -3.49 114.58 110.58 3g36 h GLU 75 Ca 0.03 0.00 -0.48 0.00 0.34 0.00 0.00 59.36 59.26 3g36 h GLU 75 Cb 0.86 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.53 3g36 h GLU 75 CO 0.07 0.40 -0.93 0.54 -1.16 0.00 0.00 179.01 177.93 3g36 n ARG 76 N -2.99 -1.70 -1.46 2.33 5.12 0.15 -4.94 116.66 113.17 3g36 n ARG 76 Ca -0.10 0.38 -0.32 0.00 -1.93 0.00 0.00 57.85 55.89 3g36 n ARG 76 Cb 0.89 -4.02 0.07 0.00 -1.16 0.00 0.00 32.46 28.25 3g36 n ARG 76 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 3g36 s PRO 77 N -6.36 2.53 0.26 5.56 0.04 -1.26 -4.97 135.00 130.79 3g36 s PRO 77 Ca 0.33 1.20 -0.03 0.00 0.04 0.00 0.00 61.00 62.54 3g36 s PRO 77 Cb -0.13 -1.93 0.40 0.00 0.04 0.00 0.00 34.50 32.88 3g36 s PRO 77 CO 0.89 -1.44 1.86 -1.00 0.04 0.00 0.00 177.00 177.35 3g36 h PRO 78 N -0.72 1.01 -2.87 0.56 0.13 -2.01 -3.33 132.00 124.77 3g36 h PRO 78 Ca -0.44 -0.06 -0.62 0.00 -0.87 0.00 0.00 66.00 64.01 3g36 h PRO 78 Cb 1.23 -0.23 -0.42 0.00 0.13 0.00 0.00 31.00 31.71 3g36 h PRO 78 CO 0.53 0.67 -0.58 0.09 -0.23 0.00 0.00 178.00 178.48 3g36 n ASN 79 N -4.58 3.18 -0.10 1.44 3.02 -1.26 -5.00 115.26 111.96 3g36 n ASN 79 Ca 0.15 -3.26 0.00 0.00 -0.03 0.00 0.00 54.58 51.44 3g36 n ASN 79 Cb 0.21 -0.74 0.28 0.00 -0.61 0.00 0.00 39.78 38.93 3g36 n ASN 79 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 3g36 h PRO 80 N 5.10 0.76 -0.30 3.52 0.13 -1.98 0.63 132.00 139.85 3g36 h PRO 80 Ca 0.16 -0.09 -0.03 0.00 -0.87 0.00 0.00 66.00 65.17 3g36 h PRO 80 Cb 0.73 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 31.70 3g36 h PRO 80 CO 0.74 0.59 0.07 0.82 -0.23 0.00 0.00 178.00 179.99 3g36 h ILE 81 N 0.76 1.22 -0.60 -3.56 2.04 -1.94 -0.32 117.51 115.11 3g36 h ILE 81 Ca 0.19 -0.74 -0.03 0.00 1.00 0.00 0.00 64.86 65.28 3g36 h ILE 81 Cb 0.08 1.14 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 3g36 h ILE 81 CO -0.03 0.24 0.25 -0.08 0.00 0.00 0.00 178.15 178.54 3g36 h GLU 82 N 0.31 0.89 -0.46 2.37 4.81 -1.86 -0.71 114.58 119.93 3g36 h GLU 82 Ca 0.09 -0.15 0.02 0.00 -0.13 0.00 0.00 59.36 59.19 3g36 h GLU 82 Cb 0.30 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 3g36 h GLU 82 CO 0.00 0.75 0.27 0.35 -0.73 0.00 0.00 179.01 179.65 3g36 h PHE 83 N 0.83 0.50 -0.62 0.92 3.57 -0.70 -1.31 116.94 120.13 3g36 h PHE 83 Ca 0.20 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.65 3g36 h PHE 83 Cb 0.18 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.74 3g36 h PHE 83 CO 0.01 0.28 0.10 1.25 -2.23 0.00 0.00 178.31 177.72 3g36 h LEU 84 N 0.54 0.98 -0.32 0.59 5.85 -0.74 0.11 115.31 122.32 3g36 h LEU 84 Ca 0.19 -0.26 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 3g36 h LEU 84 Cb 0.03 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.78 3g36 h LEU 84 CO -0.09 0.99 0.19 0.00 -0.34 0.00 0.00 178.44 179.19 3g36 h ALA 85 N 1.03 0.41 -0.75 1.25 0.00 -0.83 -0.50 119.26 119.88 3g36 h ALA 85 Ca 0.19 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 3g36 h ALA 85 Cb 0.43 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 3g36 h ALA 85 CO 0.01 -0.08 0.31 1.03 0.00 0.00 0.00 179.25 180.53 3g36 h SER 86 N 0.41 1.00 -0.61 0.00 0.87 -1.03 -2.38 113.55 111.82 3g36 h SER 86 Ca 0.12 -0.14 0.02 0.00 -1.23 0.00 0.00 61.79 60.55 3g36 h SER 86 Cb 0.02 -0.26 -0.04 0.00 -0.44 0.00 0.00 62.40 61.69 3g36 h SER 86 CO -0.02 0.88 0.38 0.22 -0.53 0.00 0.00 176.83 177.76 3g36 h TYR 87 N 1.08 0.72 -0.58 2.24 3.20 -0.16 -0.30 116.97 123.16 3g36 h TYR 87 Ca 0.25 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.16 3g36 h TYR 87 Cb 0.18 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 38.17 3g36 h TYR 87 CO 0.02 0.43 0.37 -0.07 -1.64 0.00 0.00 178.16 177.26 3g36 h LEU 88 N 0.77 0.61 -0.56 2.82 3.38 -0.66 -0.41 115.31 121.26 3g36 h LEU 88 Ca 0.23 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.15 3g36 h LEU 88 Cb -0.03 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 3g36 h LEU 88 CO -0.08 0.43 0.15 -0.07 0.09 0.00 0.00 178.44 178.97 3g36 h LEU 89 N 0.73 0.84 -0.85 1.67 3.38 -0.94 -1.21 115.31 118.93 3g36 h LEU 89 Ca 0.23 -0.22 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 3g36 h LEU 89 Cb -0.02 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 3g36 h LEU 89 CO -0.08 0.84 -0.56 0.11 0.09 0.00 0.00 178.44 178.84 3g36 h LYS 90 N 0.79 0.03 -0.02 1.13 1.57 -0.71 -3.30 116.57 116.07 3g36 h LYS 90 Ca 0.18 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 3g36 h LYS 90 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.63 3g36 h LYS 90 CO -0.00 0.58 0.00 0.09 -0.57 0.00 0.00 179.45 179.55 3g36 n ASN 91 N -3.87 1.96 0.06 0.86 3.02 -0.19 -4.61 115.26 112.49 3g36 n ASN 91 Ca -0.01 -1.48 0.07 0.00 -0.03 0.00 0.00 54.58 53.13 3g36 n ASN 91 Cb 0.57 -0.00 0.51 0.00 -0.61 0.00 0.00 39.78 40.25 3g36 n ASN 91 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 3g36 h LYS 92 N 2.25 0.33 -0.11 3.52 2.10 -1.30 -1.65 116.57 121.73 3g36 h LYS 92 Ca 0.00 -0.02 -0.00 0.00 -2.00 0.00 0.00 60.65 58.63 3g36 h LYS 92 Cb 0.48 -0.08 -0.01 0.00 -0.90 0.00 0.00 32.23 31.73 3g36 h LYS 92 CO 0.00 0.22 0.06 0.00 -2.00 0.00 0.00 179.45 177.73 3g36 h ALA 93 N 1.81 1.91 0.00 0.07 0.00 -1.83 0.56 119.26 121.77 3g36 h ALA 93 Ca 0.13 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 3g36 h ALA 93 Cb 0.11 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3g36 h ALA 93 CO -0.03 0.08 -0.23 0.37 0.00 0.00 0.00 179.25 179.44 3g36 h GLN 94 N 0.14 0.00 -0.04 0.00 4.15 -1.64 -3.29 115.11 114.43 3g36 h GLN 94 Ca 0.04 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.46 3g36 h GLN 94 Cb -0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 3g36 h GLN 94 CO -0.01 0.23 0.00 1.19 -1.93 0.00 0.00 178.83 178.32 3g36 n PHE 95 N -3.88 0.04 1.79 3.99 3.72 0.08 -5.15 117.46 118.05 3g36 n PHE 95 Ca -0.02 -0.06 0.14 0.00 -0.05 0.00 0.00 57.45 57.47 3g36 n PHE 95 Cb 0.32 -0.00 0.85 0.00 -0.94 0.00 0.00 39.48 39.71 3g36 n PHE 95 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86