#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 6.64 0.43 6.55 2.15 -1.26 -5.08 116.67 126.10 3g36 s ASP 47 Ca 0.00 0.47 0.12 0.00 0.43 0.00 0.00 52.55 53.56 3g36 s ASP 47 Cb 0.00 -2.50 0.99 0.00 -0.30 0.00 0.00 42.92 41.11 3g36 s ASP 47 CO 0.00 -1.04 2.02 -0.07 -0.17 0.00 0.00 175.17 175.91 3g36 h LEU 48 N 10.57 0.38 -1.98 -1.34 3.38 -2.00 -1.96 115.31 122.37 3g36 h LEU 48 Ca -0.23 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 3g36 h LEU 48 Cb 1.07 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.74 3g36 h LEU 48 CO 1.05 0.25 -0.08 1.56 0.09 0.00 0.00 178.44 181.30 3g36 h GLN 49 N 0.43 0.00 0.00 1.13 1.08 -2.01 -2.78 115.11 112.96 3g36 h GLN 49 Ca 0.22 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.42 3g36 h GLN 49 Cb 0.30 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.73 3g36 h GLN 49 CO -0.06 0.08 -0.53 0.43 -0.95 0.00 0.00 178.83 177.81 3g36 n SER 50 N -3.45 0.52 -4.78 1.46 7.64 -0.74 -4.96 113.62 109.32 3g36 n SER 50 Ca -0.01 -0.19 -0.37 0.00 1.01 0.00 0.00 58.87 59.30 3g36 n SER 50 Cb 0.23 0.25 -0.03 0.00 -1.01 0.00 0.00 64.21 63.65 3g36 n SER 50 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3g36 s LEU 51 N -3.18 4.18 0.84 -3.43 1.43 -1.05 -5.01 118.68 112.45 3g36 s LEU 51 Ca 0.10 2.15 -0.13 0.00 -1.03 0.00 0.00 54.13 55.22 3g36 s LEU 51 Cb 0.17 -4.10 0.08 0.00 0.03 0.00 0.00 46.19 42.37 3g36 s LEU 51 CO 0.70 -0.53 1.04 -2.65 0.23 0.00 0.00 176.35 175.14 3g36 n PRO 52 N 0.05 0.03 -0.32 1.29 -0.02 -1.26 -4.61 135.00 130.16 3g36 n PRO 52 Ca 0.04 0.08 -0.02 0.00 -2.02 0.00 0.00 63.50 61.58 3g36 n PRO 52 Cb 0.48 -2.30 0.03 0.00 -0.02 0.00 0.00 33.50 31.69 3g36 n PRO 52 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 3g36 h THR 53 N -1.10 0.06 0.01 3.45 2.02 -1.98 0.38 112.91 115.75 3g36 h THR 53 Ca -0.45 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 66.73 3g36 h THR 53 Cb 1.30 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 3g36 h THR 53 CO 0.43 0.00 -0.01 -0.09 0.37 0.00 0.00 175.52 176.23 3g36 h ARG 54 N -0.06 -0.01 -0.80 6.66 2.43 -2.00 -1.51 114.38 119.08 3g36 h ARG 54 Ca 0.31 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.45 3g36 h ARG 54 Cb 0.58 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.10 3g36 h ARG 54 CO -0.88 0.03 0.41 0.00 -1.51 0.00 0.00 179.97 178.02 3g36 h ALA 55 N 0.93 1.20 -0.03 2.80 0.00 -1.74 -0.63 119.26 121.79 3g36 h ALA 55 Ca -0.00 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.78 3g36 h ALA 55 Cb 0.05 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3g36 h ALA 55 CO 0.00 0.62 -0.03 -0.92 0.00 0.00 0.00 179.25 178.92 3g36 h TYR 56 N 1.14 -0.08 -0.85 0.00 3.20 -0.58 -1.39 116.97 118.40 3g36 h TYR 56 Ca 0.28 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.14 3g36 h TYR 56 Cb 0.08 0.04 -0.04 0.00 1.54 0.00 0.00 36.73 38.35 3g36 h TYR 56 CO 0.01 -0.06 0.48 -0.07 -1.64 0.00 0.00 178.16 176.88 3g36 h LEU 57 N -0.05 1.05 -1.24 2.82 3.38 -1.12 -2.63 115.31 117.52 3g36 h LEU 57 Ca 0.03 -0.09 0.04 0.00 0.09 0.00 0.00 57.88 57.95 3g36 h LEU 57 Cb 0.08 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.52 3g36 h LEU 57 CO -0.06 0.84 0.53 0.44 0.09 0.00 0.00 178.44 180.28 3g36 h ASP 58 N 1.19 0.85 -0.26 -0.43 5.19 -0.74 -0.50 116.42 121.73 3g36 h ASP 58 Ca 0.30 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.70 3g36 h ASP 58 Cb 0.01 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 39.32 3g36 h ASP 58 CO -0.05 0.59 0.00 0.00 -3.12 0.00 0.00 179.24 176.65 3g36 n GLN 59 N -4.45 2.26 0.02 3.56 1.13 -0.56 -4.16 117.38 115.18 3g36 n GLN 59 Ca 0.10 -1.89 0.00 0.00 -1.94 0.00 0.00 57.00 53.28 3g36 n GLN 59 Cb 0.12 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 28.99 3g36 n GLN 59 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 3g36 n THR 60 N 1.13 0.37 0.00 5.09 -2.24 -1.01 -5.00 114.28 112.63 3g36 n THR 60 Ca 0.18 0.12 0.00 0.00 -2.27 0.00 0.00 64.05 62.08 3g36 n THR 60 Cb 0.53 -1.50 0.00 0.00 -2.10 0.00 0.00 70.33 67.26 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 -3.14 0.00 -0.12 2.28 0.24 -0.28 -4.81 118.33 112.49 3g36 n VAL 61 Ca 0.00 -0.02 -0.07 0.00 -2.04 0.00 0.00 64.34 62.21 3g36 n VAL 61 Cb 0.34 0.41 0.01 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 1.02 -0.18 3.34 2.07 -1.48 -1.05 116.25 119.96 3g36 h VAL 62 Ca 0.00 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.37 3g36 h VAL 62 Cb 0.00 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 3g36 h VAL 62 CO 0.00 0.08 0.12 -0.65 0.02 0.00 0.00 177.57 177.14 3g36 h PRO 63 N 0.43 0.24 -0.16 1.57 0.11 -1.86 0.12 132.00 132.45 3g36 h PRO 63 Ca 0.15 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 66.19 3g36 h PRO 63 Cb 0.03 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.07 3g36 h PRO 63 CO -0.09 0.18 -0.18 0.97 -0.21 0.00 0.00 178.00 178.67 3g36 h ILE 64 N 0.24 1.21 -0.55 4.15 2.10 -1.84 -2.08 117.51 120.74 3g36 h ILE 64 Ca 0.07 -0.95 -0.10 0.00 1.08 0.00 0.00 64.86 64.96 3g36 h ILE 64 Cb -0.01 1.29 -0.02 0.00 -1.09 0.00 0.00 36.82 36.99 3g36 h ILE 64 CO -0.01 0.29 -0.06 -0.07 -1.08 0.00 0.00 178.15 177.22 3g36 h LEU 65 N 0.24 0.98 -0.33 2.19 3.38 -0.56 0.88 115.31 122.09 3g36 h LEU 65 Ca 0.05 -0.30 0.01 0.00 0.09 0.00 0.00 57.88 57.73 3g36 h LEU 65 Cb 0.47 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 3g36 h LEU 65 CO 0.03 1.06 0.21 -0.07 0.09 0.00 0.00 178.44 179.77 3g36 h LEU 66 N 0.89 0.36 -0.43 1.67 3.38 -0.38 -2.97 115.31 117.84 3g36 h LEU 66 Ca 0.15 -0.01 -0.10 0.00 0.09 0.00 0.00 57.88 58.02 3g36 h LEU 66 Cb 0.60 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 3g36 h LEU 66 CO 0.04 0.26 -0.11 -0.61 0.09 0.00 0.00 178.44 178.12 3g36 h GLN 67 N 0.44 0.84 -1.06 1.13 4.15 -1.26 -1.30 115.11 118.04 3g36 h GLN 67 Ca 0.13 -0.32 0.00 0.00 0.77 0.00 0.00 58.65 59.22 3g36 h GLN 67 Cb -0.04 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 27.61 3g36 h GLN 67 CO -0.04 0.95 0.00 0.41 -1.93 0.00 0.00 178.83 178.23 3g36 n GLY 68 N -0.20 0.10 2.54 2.39 0.00 0.29 -1.74 105.19 108.57 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 0.74 0.00 -0.10 4.61 0.00 -0.49 -0.72 120.51 124.54 3g36 n ALA 70 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 3g36 n ALA 70 Cb 0.02 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.43 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 1.30 -0.79 0.00 2.07 -1.62 -1.42 116.25 115.78 3g36 h VAL 71 Ca 0.00 -1.44 0.08 0.00 0.82 0.00 0.00 66.70 66.16 3g36 h VAL 71 Cb 0.00 1.53 -0.07 0.00 -1.52 0.00 0.00 31.29 31.23 3g36 h VAL 71 CO 0.00 0.47 0.45 0.25 0.02 0.00 0.00 177.57 178.76 3g36 h LEU 72 N 0.49 0.66 -0.87 2.57 5.85 -1.19 -0.59 115.31 122.23 3g36 h LEU 72 Ca 0.05 0.04 -0.12 0.00 0.84 0.00 0.00 57.88 58.69 3g36 h LEU 72 Cb 0.85 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.78 3g36 h LEU 72 CO 0.07 0.40 -0.47 0.00 -0.34 0.00 0.00 178.44 178.10 3g36 h ALA 73 N 1.42 1.04 -0.23 1.25 0.00 -1.75 0.10 119.26 121.10 3g36 h ALA 73 Ca 0.37 -0.45 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 3g36 h ALA 73 Cb 0.29 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 3g36 h ALA 73 CO -0.22 0.63 -0.30 -0.22 0.00 0.00 0.00 179.25 179.14 3g36 h LYS 74 N 0.18 0.61 0.00 0.00 1.63 -0.73 -3.37 116.57 114.89 3g36 h LYS 74 Ca 0.01 -0.35 -0.22 0.00 -0.85 0.00 0.00 60.65 59.24 3g36 h LYS 74 Cb 0.90 0.02 -0.04 0.00 -0.60 0.00 0.00 32.23 32.52 3g36 h LYS 74 CO 0.07 0.95 -1.60 0.39 -3.45 0.00 0.00 179.45 175.82 3g36 n GLU 75 N -4.31 0.63 -3.81 1.90 1.02 -0.28 -5.00 120.64 110.79 3g36 n GLU 75 Ca -0.05 0.22 -0.27 0.00 -0.02 0.00 0.00 57.16 57.04 3g36 n GLU 75 Cb 0.47 -1.78 0.01 0.00 -0.02 0.00 0.00 31.44 30.13 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 -2.92 -2.66 -1.40 3.49 5.12 0.35 -4.94 116.66 113.70 3g36 n ARG 76 Ca -0.14 0.45 -0.31 0.00 -1.93 0.00 0.00 57.85 55.93 3g36 n ARG 76 Cb 0.93 -4.43 0.08 0.00 -1.16 0.00 0.00 32.46 27.88 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 -6.25 2.34 0.55 5.56 0.04 -1.26 -4.95 135.00 131.03 3g36 s PRO 77 Ca 0.20 0.97 0.33 0.00 0.04 0.00 0.00 61.00 62.54 3g36 s PRO 77 Cb -0.07 -1.92 1.38 0.00 0.04 0.00 0.00 34.50 33.93 3g36 s PRO 77 CO 0.87 -1.53 1.99 -1.00 0.04 0.00 0.00 177.00 177.37 3g36 h PRO 78 N -1.03 0.00 -2.15 0.56 0.13 -2.01 -3.33 132.00 124.16 3g36 h PRO 78 Ca -0.45 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.09 3g36 h PRO 78 Cb 1.24 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.95 3g36 h PRO 78 CO 0.55 0.03 -0.70 0.27 -0.23 0.00 0.00 178.00 177.92 3g36 n ASN 79 N -3.14 3.06 -0.33 1.44 6.94 -1.26 -4.98 115.26 116.99 3g36 n ASN 79 Ca 0.00 -3.30 -0.03 0.00 -0.02 0.00 0.00 54.58 51.23 3g36 n ASN 79 Cb 0.30 -0.66 0.09 0.00 -2.36 0.00 0.00 39.78 37.15 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 4.11 1.14 -0.22 -0.53 0.13 -1.98 0.39 132.00 135.05 3g36 h PRO 80 Ca 0.17 -0.07 -0.04 0.00 -0.87 0.00 0.00 66.00 65.19 3g36 h PRO 80 Cb 0.70 -0.26 -0.01 0.00 0.13 0.00 0.00 31.00 31.57 3g36 h PRO 80 CO 0.76 0.76 -0.03 0.82 -0.23 0.00 0.00 178.00 180.08 3g36 h ILE 81 N 1.18 1.28 -0.42 -3.56 2.04 -1.95 0.20 117.51 116.27 3g36 h ILE 81 Ca 0.33 -0.99 0.01 0.00 1.00 0.00 0.00 64.86 65.21 3g36 h ILE 81 Cb -0.11 1.49 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 3g36 h ILE 81 CO -0.08 0.30 0.27 -0.08 0.00 0.00 0.00 178.15 178.56 3g36 h GLU 82 N 0.14 0.53 -0.41 2.37 4.81 -1.95 -1.07 114.58 119.01 3g36 h GLU 82 Ca 0.06 -0.03 0.07 0.00 -0.13 0.00 0.00 59.36 59.32 3g36 h GLU 82 Cb 0.47 -0.12 -0.06 0.00 0.63 0.00 0.00 28.75 29.67 3g36 h GLU 82 CO 0.02 0.35 0.07 0.35 -0.73 0.00 0.00 179.01 179.06 3g36 h PHE 83 N 0.54 0.10 -0.66 0.92 3.57 -0.75 -0.71 116.94 119.96 3g36 h PHE 83 Ca 0.16 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.65 3g36 h PHE 83 Cb -0.04 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.69 3g36 h PHE 83 CO -0.06 -0.01 0.28 1.25 -2.23 0.00 0.00 178.31 177.55 3g36 h LEU 84 N 0.19 0.89 -0.29 0.59 5.85 -0.58 -0.27 115.31 121.68 3g36 h LEU 84 Ca 0.20 -0.16 0.01 0.00 0.84 0.00 0.00 57.88 58.77 3g36 h LEU 84 Cb 0.25 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 3g36 h LEU 84 CO -0.27 0.80 0.19 0.00 -0.34 0.00 0.00 178.44 178.82 3g36 h ALA 85 N 1.12 0.37 -0.97 1.25 0.00 -0.84 -0.86 119.26 119.35 3g36 h ALA 85 Ca 0.22 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.13 3g36 h ALA 85 Cb 0.17 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 3g36 h ALA 85 CO -0.02 -0.17 0.64 0.77 0.00 0.00 0.00 179.25 180.47 3g36 h SER 86 N 0.39 1.10 -0.49 0.00 0.02 -0.94 -2.21 113.55 111.42 3g36 h SER 86 Ca 0.11 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 3g36 h SER 86 Cb -0.03 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.21 3g36 h SER 86 CO -0.03 0.79 0.28 0.22 -1.14 0.00 0.00 176.83 176.95 3g36 h TYR 87 N 1.30 0.66 -0.46 3.45 3.20 -0.56 -0.53 116.97 124.02 3g36 h TYR 87 Ca 0.36 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.22 3g36 h TYR 87 Cb -0.14 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 37.90 3g36 h TYR 87 CO -0.00 0.48 0.30 -0.07 -1.64 0.00 0.00 178.16 177.23 3g36 h LEU 88 N 0.65 0.54 -0.66 2.82 4.07 -0.88 -0.81 115.31 121.04 3g36 h LEU 88 Ca 0.17 -0.03 -0.09 0.00 0.08 0.00 0.00 57.88 58.02 3g36 h LEU 88 Cb 0.02 -0.14 -0.03 0.00 1.08 0.00 0.00 40.66 41.60 3g36 h LEU 88 CO -0.03 0.40 0.08 -0.07 -1.08 0.00 0.00 178.44 177.74 3g36 h LEU 89 N 0.62 1.07 -0.71 1.67 3.38 -1.12 -2.09 115.31 118.14 3g36 h LEU 89 Ca 0.17 -0.27 -0.13 0.00 0.09 0.00 0.00 57.88 57.74 3g36 h LEU 89 Cb -0.05 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.40 3g36 h LEU 89 CO -0.04 1.08 -0.37 0.50 0.09 0.00 0.00 178.44 179.71 3g36 h LYS 90 N 1.03 0.57 -0.37 1.13 3.64 -0.84 -3.33 116.57 118.40 3g36 h LYS 90 Ca 0.20 -0.28 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 3g36 h LYS 90 Cb 0.48 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 3g36 h LYS 90 CO 0.02 0.85 0.00 0.09 -2.27 0.00 0.00 179.45 178.14 3g36 n ASN 91 N -4.05 3.03 -0.04 4.20 3.02 -0.33 -4.68 115.26 116.41 3g36 n ASN 91 Ca -0.01 -2.04 0.03 0.00 -0.03 0.00 0.00 54.58 52.52 3g36 n ASN 91 Cb 0.49 -0.26 0.39 0.00 -0.61 0.00 0.00 39.78 39.79 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 2.15 0.62 -0.58 3.52 2.10 -1.50 -2.47 116.57 120.41 3g36 h LYS 92 Ca 0.00 -0.04 0.08 0.00 -2.00 0.00 0.00 60.65 58.69 3g36 h LYS 92 Cb 0.78 -0.14 -0.03 0.00 -0.90 0.00 0.00 32.23 31.94 3g36 h LYS 92 CO 0.01 0.42 0.39 0.00 -2.00 0.00 0.00 179.45 178.27 3g36 h ALA 93 N 1.69 1.92 0.00 0.07 0.00 -1.84 -0.43 119.26 120.67 3g36 h ALA 93 Ca 0.17 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3g36 h ALA 93 Cb -0.05 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 3g36 h ALA 93 CO -0.04 -0.03 -0.07 1.96 0.00 0.00 0.00 179.25 181.07 3g36 h GLN 94 N 0.48 0.00 -0.06 0.00 4.20 -1.81 -3.15 115.11 114.77 3g36 h GLN 94 Ca 0.26 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.97 3g36 h GLN 94 Cb 0.40 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.18 3g36 h GLN 94 CO -0.07 0.07 0.00 1.19 -0.67 0.00 0.00 178.83 179.35 3g36 n PHE 95 N -3.53 0.07 0.00 2.96 3.72 -0.25 -5.00 117.46 115.43 3g36 n PHE 95 Ca -0.02 -0.26 0.00 0.00 -0.05 0.00 0.00 57.45 57.12 3g36 n PHE 95 Cb 0.20 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.71 3g36 n PHE 95 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 3g36 n GLU 96 N -0.00 0.00 0.00 -1.08 2.13 -0.70 -4.98 120.64 116.00 3g36 n GLU 96 Ca 0.03 0.00 0.14 0.00 0.66 0.00 0.00 57.16 57.99 3g36 n GLU 96 Cb 0.20 0.00 0.60 0.00 0.27 0.00 0.00 31.44 32.51 3g36 n GLU 96 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47