#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 6.32 0.49 6.55 1.01 -1.26 -4.88 116.67 124.90 3g36 s ASP 47 Ca 0.00 -1.18 0.25 0.00 0.71 0.00 0.00 52.55 52.33 3g36 s ASP 47 Cb 0.00 -2.47 1.24 0.00 1.01 0.00 0.00 42.92 42.70 3g36 s ASP 47 CO 0.00 -1.46 1.98 -0.07 0.21 0.00 0.00 175.17 175.83 3g36 h LEU 48 N 11.75 0.00 -0.88 1.23 3.38 -2.02 -1.99 115.31 126.79 3g36 h LEU 48 Ca -0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3g36 h LEU 48 Cb 1.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.80 3g36 h LEU 48 CO 1.23 0.17 0.00 0.00 0.09 0.00 0.00 178.44 179.93 3g36 n GLN 49 N -3.61 1.56 0.00 1.13 10.64 -1.26 -2.03 117.38 123.82 3g36 n GLN 49 Ca -0.01 -0.86 0.12 0.00 -1.83 0.00 0.00 57.00 54.42 3g36 n GLN 49 Cb 0.31 -1.30 0.31 0.00 -0.86 0.00 0.00 30.24 28.70 3g36 n GLN 49 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 3g36 n SER 50 N 0.13 0.74 -4.70 2.61 3.41 -0.75 -4.93 113.62 110.13 3g36 n SER 50 Ca 0.13 -0.54 -0.37 0.00 -0.26 0.00 0.00 58.87 57.82 3g36 n SER 50 Cb 0.24 0.20 -0.07 0.00 -0.26 0.00 0.00 64.21 64.32 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 -2.77 4.20 0.86 1.04 1.43 -0.86 -5.08 118.68 117.49 3g36 s LEU 51 Ca 0.17 0.47 -0.11 0.00 -1.03 0.00 0.00 54.13 53.63 3g36 s LEU 51 Cb 0.18 -2.40 0.11 0.00 0.03 0.00 0.00 46.19 44.11 3g36 s LEU 51 CO 0.62 0.03 1.09 -2.16 0.23 0.00 0.00 176.35 176.16 3g36 s PRO 52 N 0.85 1.50 0.11 1.29 0.04 -1.26 -4.55 135.00 132.99 3g36 s PRO 52 Ca 0.17 0.99 -0.21 0.00 0.04 0.00 0.00 61.00 61.98 3g36 s PRO 52 Cb -0.14 -1.82 -0.05 0.00 0.04 0.00 0.00 34.50 32.53 3g36 s PRO 52 CO 0.06 -2.12 1.05 2.41 0.04 0.00 0.00 177.00 178.44 3g36 n THR 53 N -3.82 -0.46 -0.11 1.26 -1.04 -1.26 -0.89 114.28 107.95 3g36 n THR 53 Ca 0.08 1.65 -0.13 0.00 -2.04 0.00 0.00 64.05 63.61 3g36 n THR 53 Cb 0.54 -2.04 -0.03 0.00 -1.82 0.00 0.00 70.33 66.98 3g36 n THR 53 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 3g36 h ARG 54 N 0.00 0.85 -0.72 -2.82 3.08 -1.99 -0.91 114.38 111.87 3g36 h ARG 54 Ca 0.11 -0.44 -0.03 0.00 0.07 0.00 0.00 59.98 59.69 3g36 h ARG 54 Cb 0.28 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.31 3g36 h ARG 54 CO -0.64 1.08 0.33 0.00 -1.07 0.00 0.00 179.97 179.67 3g36 h ALA 55 N 0.75 0.92 -0.23 0.04 0.00 -1.73 -0.11 119.26 118.91 3g36 h ALA 55 Ca 0.06 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.82 3g36 h ALA 55 Cb 0.91 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 3g36 h ALA 55 CO 0.08 0.50 0.13 -0.92 0.00 0.00 0.00 179.25 179.05 3g36 h TYR 56 N 1.01 0.24 -0.66 0.00 3.20 -0.75 -0.39 116.97 119.62 3g36 h TYR 56 Ca 0.24 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.05 3g36 h TYR 56 Cb 0.14 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.31 3g36 h TYR 56 CO 0.01 0.14 0.13 -0.07 -1.64 0.00 0.00 178.16 176.74 3g36 h LEU 57 N 0.27 1.01 -0.86 2.82 3.38 -0.97 -1.98 115.31 118.99 3g36 h LEU 57 Ca 0.09 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 3g36 h LEU 57 Cb 0.00 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 3g36 h LEU 57 CO -0.05 0.99 0.30 -0.78 0.09 0.00 0.00 178.44 178.99 3g36 h ASP 58 N 1.01 1.04 0.59 -0.43 3.58 -0.74 -0.86 116.42 120.62 3g36 h ASP 58 Ca 0.21 -0.16 -0.15 0.00 0.42 0.00 0.00 57.03 57.34 3g36 h ASP 58 Cb 0.39 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 41.15 3g36 h ASP 58 CO 0.01 0.93 -0.69 -0.61 -2.88 0.00 0.00 179.24 175.99 3g36 h GLN 59 N 1.10 0.08 0.01 0.28 5.75 -0.83 -3.34 115.11 118.16 3g36 h GLN 59 Ca 0.25 -0.07 -0.41 0.00 -0.15 0.00 0.00 58.65 58.28 3g36 h GLN 59 Cb 0.22 0.01 -0.06 0.00 1.07 0.00 0.00 27.48 28.72 3g36 h GLN 59 CO -0.02 0.74 -2.28 0.25 -2.65 0.00 0.00 178.83 174.87 3g36 n THR 60 N -3.75 1.54 0.00 2.39 -2.24 -0.76 -4.85 114.28 106.60 3g36 n THR 60 Ca -0.02 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 3g36 n THR 60 Cb 0.68 -1.83 0.00 0.00 -2.10 0.00 0.00 70.33 67.08 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 -4.08 0.00 0.02 2.28 0.24 -0.38 -4.81 118.33 111.60 3g36 n VAL 61 Ca -0.48 -0.03 -0.11 0.00 -2.04 0.00 0.00 64.34 61.68 3g36 n VAL 61 Cb 0.88 0.43 -0.06 0.00 -1.47 0.00 0.00 33.84 33.61 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 0.99 -0.65 3.34 2.07 -1.55 -1.14 116.25 119.30 3g36 h VAL 62 Ca 0.00 -0.01 0.01 0.00 0.82 0.00 0.00 66.70 67.52 3g36 h VAL 62 Cb 0.00 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 3g36 h VAL 62 CO 0.00 0.01 0.43 -0.65 0.02 0.00 0.00 177.57 177.38 3g36 h PRO 63 N 0.03 0.86 -0.16 1.57 0.11 -1.88 -0.71 132.00 131.82 3g36 h PRO 63 Ca 0.02 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 65.97 3g36 h PRO 63 Cb 0.01 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 30.92 3g36 h PRO 63 CO -0.02 0.57 -0.37 0.97 -0.21 0.00 0.00 178.00 178.94 3g36 h ILE 64 N 0.89 1.30 -0.67 4.15 2.10 -1.85 -1.72 117.51 121.70 3g36 h ILE 64 Ca 0.24 -1.46 -0.06 0.00 1.08 0.00 0.00 64.86 64.65 3g36 h ILE 64 Cb -0.10 1.59 -0.03 0.00 -1.09 0.00 0.00 36.82 37.19 3g36 h ILE 64 CO -0.05 0.45 0.17 -0.07 -1.08 0.00 0.00 178.15 177.56 3g36 h LEU 65 N 0.29 1.01 -0.79 2.19 3.38 -0.64 0.75 115.31 121.51 3g36 h LEU 65 Ca 0.03 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.72 3g36 h LEU 65 Cb 0.79 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 3g36 h LEU 65 CO 0.06 0.98 0.31 -0.07 0.09 0.00 0.00 178.44 179.81 3g36 h LEU 66 N 1.00 1.09 -0.14 1.67 3.38 -0.86 -2.90 115.31 118.55 3g36 h LEU 66 Ca 0.21 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3g36 h LEU 66 Cb 0.36 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3g36 h LEU 66 CO 0.00 0.97 0.07 -0.61 0.09 0.00 0.00 178.44 178.96 3g36 h GLN 67 N 1.15 0.21 -1.59 1.13 5.75 -0.96 -1.06 115.11 119.74 3g36 h GLN 67 Ca 0.26 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.73 3g36 h GLN 67 Cb 0.22 -0.04 0.00 0.00 1.07 0.00 0.00 27.48 28.73 3g36 h GLN 67 CO -0.02 0.27 0.00 0.41 -2.65 0.00 0.00 178.83 176.84 3g36 n GLY 68 N -0.78 0.18 1.88 2.39 0.00 0.23 -1.73 105.19 107.36 3g36 n GLY 68 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 0.87 0.00 -0.19 4.61 0.00 -0.40 -1.16 120.51 124.23 3g36 n ALA 70 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 3g36 n ALA 70 Cb 0.04 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.51 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 1.26 -0.85 0.00 2.07 -1.61 -1.78 116.25 115.34 3g36 h VAL 71 Ca 0.00 -1.08 0.08 0.00 0.82 0.00 0.00 66.70 66.52 3g36 h VAL 71 Cb 0.00 0.87 -0.07 0.00 -1.52 0.00 0.00 31.29 30.57 3g36 h VAL 71 CO 0.00 0.39 0.51 -0.07 0.02 0.00 0.00 177.57 178.42 3g36 h LEU 72 N 0.84 0.77 -1.19 2.57 3.38 -1.41 0.51 115.31 120.78 3g36 h LEU 72 Ca 0.16 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 3g36 h LEU 72 Cb 0.51 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 3g36 h LEU 72 CO 0.02 0.47 0.23 0.00 0.09 0.00 0.00 178.44 179.26 3g36 h ALA 73 N 1.43 1.37 0.14 1.53 0.00 -1.71 0.12 119.26 122.14 3g36 h ALA 73 Ca 0.39 -0.14 -0.19 0.00 0.00 0.00 0.00 54.91 54.97 3g36 h ALA 73 Cb 0.26 -0.23 0.02 0.00 0.00 0.00 0.00 17.79 17.84 3g36 h ALA 73 CO -0.20 0.48 -0.82 -0.22 0.00 0.00 0.00 179.25 178.48 3g36 h LYS 74 N 0.79 0.31 0.00 0.00 3.64 -0.63 -3.39 116.57 117.29 3g36 h LYS 74 Ca 0.19 -0.52 -0.21 0.00 -1.27 0.00 0.00 60.65 58.84 3g36 h LYS 74 Cb 0.14 0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 32.11 3g36 h LYS 74 CO -0.02 1.24 -1.64 0.39 -2.27 0.00 0.00 179.45 177.16 3g36 n GLU 75 N -4.12 0.63 -3.81 1.90 1.02 0.10 -5.01 120.64 111.37 3g36 n GLU 75 Ca -0.14 0.19 -0.31 0.00 -0.02 0.00 0.00 57.16 56.87 3g36 n GLU 75 Cb 0.82 -1.75 0.02 0.00 -0.02 0.00 0.00 31.44 30.51 3g36 n GLU 75 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3g36 n ARG 76 N -2.87 -1.77 -1.30 3.49 5.12 0.40 -4.93 116.66 114.81 3g36 n ARG 76 Ca -0.14 0.40 -0.31 0.00 -1.93 0.00 0.00 57.85 55.86 3g36 n ARG 76 Cb 0.91 -4.07 0.09 0.00 -1.16 0.00 0.00 32.46 28.23 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 -6.33 2.25 0.27 5.56 0.04 -1.26 -4.94 135.00 130.60 3g36 s PRO 77 Ca 0.33 1.23 0.26 0.00 0.04 0.00 0.00 61.00 62.86 3g36 s PRO 77 Cb -0.13 -1.89 0.84 0.00 0.04 0.00 0.00 34.50 33.36 3g36 s PRO 77 CO 0.88 -1.66 1.75 -1.00 0.04 0.00 0.00 177.00 177.02 3g36 h PRO 78 N -1.00 0.00 -2.20 0.56 0.13 -2.01 -3.35 132.00 124.13 3g36 h PRO 78 Ca -0.44 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.11 3g36 h PRO 78 Cb 1.24 0.00 -0.42 0.00 0.13 0.00 0.00 31.00 31.95 3g36 h PRO 78 CO 0.51 0.00 -0.72 0.27 -0.23 0.00 0.00 178.00 177.84 3g36 n ASN 79 N -2.41 3.53 -0.18 1.44 6.94 -1.26 -4.99 115.26 118.34 3g36 n ASN 79 Ca 0.04 -3.46 -0.01 0.00 -0.02 0.00 0.00 54.58 51.13 3g36 n ASN 79 Cb 0.38 -0.61 0.22 0.00 -2.36 0.00 0.00 39.78 37.40 3g36 n ASN 79 CO 0.00 0.00 0.00 1.55 -1.03 0.00 0.00 177.26 177.78 3g36 h PRO 80 N 3.49 0.92 -0.25 -0.53 0.13 -1.98 0.53 132.00 134.30 3g36 h PRO 80 Ca 0.15 -0.12 -0.03 0.00 -0.87 0.00 0.00 66.00 65.13 3g36 h PRO 80 Cb 0.63 -0.17 -0.01 0.00 0.13 0.00 0.00 31.00 31.58 3g36 h PRO 80 CO 0.77 0.70 0.04 0.82 -0.23 0.00 0.00 178.00 180.10 3g36 h ILE 81 N 0.91 1.23 -0.64 -3.56 2.04 -1.95 0.16 117.51 115.70 3g36 h ILE 81 Ca 0.23 -0.77 -0.04 0.00 1.00 0.00 0.00 64.86 65.28 3g36 h ILE 81 Cb 0.08 1.25 -0.03 0.00 -0.74 0.00 0.00 36.82 37.39 3g36 h ILE 81 CO -0.03 0.25 0.26 -0.08 0.00 0.00 0.00 178.15 178.54 3g36 h GLU 82 N 0.23 0.96 -0.53 2.37 4.81 -1.91 -1.13 114.58 119.38 3g36 h GLU 82 Ca 0.08 -0.17 0.02 0.00 -0.13 0.00 0.00 59.36 59.15 3g36 h GLU 82 Cb 0.33 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.52 3g36 h GLU 82 CO 0.00 0.81 0.33 0.35 -0.73 0.00 0.00 179.01 179.77 3g36 h PHE 83 N 0.90 0.62 -0.48 0.92 3.57 -0.78 -0.60 116.94 121.09 3g36 h PHE 83 Ca 0.21 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.68 3g36 h PHE 83 Cb 0.21 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 3g36 h PHE 83 CO 0.01 0.37 0.10 1.25 -2.23 0.00 0.00 178.31 177.81 3g36 h LEU 84 N 0.66 0.75 -0.39 0.59 5.85 -0.66 0.33 115.31 122.44 3g36 h LEU 84 Ca 0.21 -0.25 0.03 0.00 0.84 0.00 0.00 57.88 58.71 3g36 h LEU 84 Cb -0.02 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.78 3g36 h LEU 84 CO -0.07 0.80 0.21 0.00 -0.34 0.00 0.00 178.44 179.04 3g36 h ALA 85 N 0.98 0.49 -0.72 1.25 0.00 -0.94 -0.51 119.26 119.81 3g36 h ALA 85 Ca 0.15 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 3g36 h ALA 85 Cb 0.36 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 3g36 h ALA 85 CO 0.01 -0.15 0.35 1.03 0.00 0.00 0.00 179.25 180.49 3g36 h SER 86 N 0.42 0.94 -0.44 0.00 0.87 -0.92 -1.81 113.55 112.61 3g36 h SER 86 Ca 0.16 -0.13 0.01 0.00 -1.23 0.00 0.00 61.79 60.61 3g36 h SER 86 Cb 0.05 -0.24 -0.03 0.00 -0.44 0.00 0.00 62.40 61.75 3g36 h SER 86 CO -0.10 0.81 0.27 0.22 -0.53 0.00 0.00 176.83 177.50 3g36 h TYR 87 N 1.01 0.51 -0.40 2.24 3.20 -0.38 0.20 116.97 123.34 3g36 h TYR 87 Ca 0.25 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.17 3g36 h TYR 87 Cb 0.11 -0.17 -0.04 0.00 1.54 0.00 0.00 36.73 38.18 3g36 h TYR 87 CO 0.01 0.31 0.19 -0.07 -1.64 0.00 0.00 178.16 176.96 3g36 h LEU 88 N 0.55 0.27 -0.65 2.82 4.07 -0.71 -0.86 115.31 120.80 3g36 h LEU 88 Ca 0.17 0.02 -0.03 0.00 0.08 0.00 0.00 57.88 58.13 3g36 h LEU 88 Cb -0.02 -0.03 -0.03 0.00 1.08 0.00 0.00 40.66 41.67 3g36 h LEU 88 CO -0.06 0.20 0.31 -0.07 -1.08 0.00 0.00 178.44 177.73 3g36 h LEU 89 N 0.39 0.85 -0.81 1.67 3.38 -0.84 -0.96 115.31 119.00 3g36 h LEU 89 Ca 0.17 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 3g36 h LEU 89 Cb 0.09 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3g36 h LEU 89 CO -0.13 0.75 -0.44 0.11 0.09 0.00 0.00 178.44 178.82 3g36 h LYS 90 N 0.90 0.00 -0.03 1.13 1.57 -0.68 -3.31 116.57 116.15 3g36 h LYS 90 Ca 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 3g36 h LYS 90 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.44 3g36 h LYS 90 CO -0.03 0.44 0.00 0.09 -0.57 0.00 0.00 179.45 179.38 3g36 n ASN 91 N -3.55 1.64 0.26 0.86 4.13 -0.35 -4.66 115.26 113.60 3g36 n ASN 91 Ca -0.00 -1.35 0.11 0.00 1.68 0.00 0.00 54.58 55.02 3g36 n ASN 91 Cb 0.55 -0.02 0.72 0.00 -1.54 0.00 0.00 39.78 39.49 3g36 n ASN 91 CO 0.00 0.00 0.00 0.07 0.28 0.00 0.00 177.26 177.61 3g36 h LYS 92 N 1.22 0.00 -0.72 3.52 2.10 -1.26 -1.03 116.57 120.40 3g36 h LYS 92 Ca 0.00 0.00 0.15 0.00 -2.00 0.00 0.00 60.65 58.80 3g36 h LYS 92 Cb 0.31 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.59 3g36 h LYS 92 CO 0.00 0.10 0.49 0.00 -2.00 0.00 0.00 179.45 178.04 3g36 h ALA 93 N 1.90 2.19 0.00 0.07 0.00 -1.84 0.05 119.26 121.62 3g36 h ALA 93 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3g36 h ALA 93 Cb 0.25 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3g36 h ALA 93 CO 0.01 -0.38 0.00 1.04 0.00 0.00 0.00 179.25 179.92 3g36 n GLN 94 N -4.46 0.16 -0.02 0.00 6.02 -0.39 -3.66 117.38 115.04 3g36 n GLN 94 Ca 0.14 0.28 0.02 0.00 -0.01 0.00 0.00 57.00 57.42 3g36 n GLN 94 Cb 0.55 -1.75 0.03 0.00 1.02 0.00 0.00 30.24 30.09 3g36 n GLN 94 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 3g36 n PHE 95 N -2.04 0.00 -0.24 1.08 3.72 -0.03 -5.15 117.46 114.79 3g36 n PHE 95 Ca 0.04 -0.55 0.00 0.00 -0.05 0.00 0.00 57.45 56.89 3g36 n PHE 95 Cb 0.30 -0.07 0.00 0.00 -0.94 0.00 0.00 39.48 38.78 3g36 n PHE 95 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10