#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ni8 h GLU 2 N 0.00 0.00 0.00 4.33 9.09 -2.06 -3.10 114.58 122.84 1ni8 h GLU 2 Ca 0.00 0.00 -0.20 0.00 0.05 0.00 0.00 59.36 59.21 1ni8 h GLU 2 Cb 0.00 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.07 1ni8 h GLU 2 CO 0.00 0.48 -1.17 0.00 0.05 0.00 0.00 179.01 178.38 1ni8 h ALA 3 N 1.30 0.58 -0.03 1.06 0.00 -2.06 -3.15 119.26 116.96 1ni8 h ALA 3 Ca -0.12 -0.96 -0.24 0.00 0.00 0.00 0.00 54.91 53.59 1ni8 h ALA 3 Cb 1.64 0.11 0.01 0.00 0.00 0.00 0.00 17.79 19.55 1ni8 h ALA 3 CO 0.07 1.16 -0.95 -0.07 0.00 0.00 0.00 179.25 179.45 1ni8 h LEU 4 N 0.00 0.77 -0.97 0.00 4.07 -2.02 -3.02 115.31 114.14 1ni8 h LEU 4 Ca -0.11 -0.59 -0.10 0.00 0.08 0.00 0.00 57.88 57.16 1ni8 h LEU 4 Cb 1.73 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 43.22 1ni8 h LEU 4 CO 0.09 1.39 -0.49 0.07 -1.08 0.00 0.00 178.44 178.41 1ni8 h LYS 5 N 0.36 0.00 -0.27 1.13 2.10 -1.65 -2.95 116.57 115.29 1ni8 h LYS 5 Ca -0.10 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.43 1ni8 h LYS 5 Cb 1.59 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.91 1ni8 h LYS 5 CO 0.18 0.49 -0.36 0.82 -2.00 0.00 0.00 179.45 178.58 1ni8 h ILE 6 N 0.00 1.29 -0.03 0.07 1.08 -1.53 -2.74 117.51 115.65 1ni8 h ILE 6 Ca -0.00 -1.50 0.01 0.00 -0.39 0.00 0.00 64.86 62.97 1ni8 h ILE 6 Cb 0.91 1.48 -0.00 0.00 -3.07 0.00 0.00 36.82 36.14 1ni8 h ILE 6 CO 0.06 0.48 0.04 -0.07 -0.69 0.00 0.00 178.15 177.97 1ni8 h LEU 7 N 0.50 0.00 -1.00 1.44 3.38 -1.38 -1.29 115.31 116.96 1ni8 h LEU 7 Ca 0.05 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.92 1ni8 h LEU 7 Cb 0.86 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 1ni8 h LEU 7 CO 0.07 0.00 -0.48 0.78 0.09 0.00 0.00 178.44 178.90 1ni8 h ASN 8 N 0.00 0.04 -3.21 -0.43 4.21 -1.56 -3.37 115.58 111.27 1ni8 h ASN 8 Ca 0.01 -0.02 -0.74 0.00 1.21 0.00 0.00 56.30 56.76 1ni8 h ASN 8 Cb 0.09 -0.01 -0.22 0.00 -1.12 0.00 0.00 38.32 37.06 1ni8 h ASN 8 CO -0.00 0.52 0.21 0.20 -1.29 0.00 0.00 177.43 177.07 1ni8 s ASN 9 N -6.89 6.52 0.33 5.81 -0.87 -0.49 -4.90 114.94 114.45 1ni8 s ASN 9 Ca -0.02 -2.13 0.01 0.00 -1.57 0.00 0.00 52.86 49.15 1ni8 s ASN 9 Cb 0.13 -2.27 0.57 0.00 -0.02 0.00 0.00 41.25 39.66 1ni8 s ASN 9 CO 0.75 -0.85 1.99 -0.29 -2.57 0.00 0.00 177.10 176.13 1ni8 h ILE 10 N 5.43 1.18 -1.00 0.60 6.09 -1.79 -2.32 117.51 125.70 1ni8 h ILE 10 Ca -0.04 -0.36 0.09 0.00 -1.37 0.00 0.00 64.86 63.18 1ni8 h ILE 10 Cb 1.06 0.20 -0.08 0.00 0.47 0.00 0.00 36.82 38.47 1ni8 h ILE 10 CO 0.95 0.18 0.63 0.03 -3.07 0.00 0.00 178.15 176.88 1ni8 h ARG 11 N 0.93 1.05 -0.01 2.19 3.08 -1.94 0.57 114.38 120.25 1ni8 h ARG 11 Ca 0.25 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.23 1ni8 h ARG 11 Cb -0.08 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 29.73 1ni8 h ARG 11 CO -0.05 0.69 0.00 1.15 -1.07 0.00 0.00 179.97 180.69 1ni8 h THR 12 N 1.08 1.24 -0.13 2.04 2.02 -1.76 -2.60 112.91 114.79 1ni8 h THR 12 Ca 0.46 -0.71 -0.03 0.00 0.77 0.00 0.00 66.41 66.90 1ni8 h THR 12 Cb 0.32 1.71 -0.01 0.00 -1.74 0.00 0.00 68.15 68.42 1ni8 h THR 12 CO -0.22 0.19 -0.07 0.25 0.37 0.00 0.00 175.52 176.04 1ni8 h LEU 13 N -0.28 0.18 -0.45 2.58 5.85 -1.20 -2.47 115.31 119.52 1ni8 h LEU 13 Ca 0.00 -0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.74 1ni8 h LEU 13 Cb 0.30 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 1ni8 h LEU 13 CO 0.00 0.29 0.20 -0.09 -0.34 0.00 0.00 178.44 178.50 1ni8 h ARG 14 N 0.20 0.40 -0.35 1.25 2.43 0.46 0.17 114.38 118.93 1ni8 h ARG 14 Ca 0.04 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.10 1ni8 h ARG 14 Cb 0.26 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 1ni8 h ARG 14 CO 0.01 0.26 -0.16 0.00 -1.51 0.00 0.00 179.97 178.57 1ni8 h ALA 15 N 1.26 1.07 -0.15 2.80 0.00 -1.09 -2.86 119.26 120.29 1ni8 h ALA 15 Ca 0.20 -0.32 -0.15 0.00 0.00 0.00 0.00 54.91 54.65 1ni8 h ALA 15 Cb 0.14 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1ni8 h ALA 15 CO -0.17 0.57 -0.53 1.96 0.00 0.00 0.00 179.25 181.09 1ni8 h GLN 16 N 0.57 0.43 0.00 0.00 1.08 -1.07 -3.07 115.11 113.06 1ni8 h GLN 16 Ca 0.09 -0.26 -0.08 0.00 -1.45 0.00 0.00 58.65 56.95 1ni8 h GLN 16 Cb 0.60 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 28.05 1ni8 h GLN 16 CO 0.04 0.85 -0.39 0.00 -0.95 0.00 0.00 178.83 178.38 1ni8 h ALA 17 N 1.10 1.31 0.00 3.87 0.00 -0.49 -2.67 119.26 122.38 1ni8 h ALA 17 Ca 0.01 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1ni8 h ALA 17 Cb 1.04 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1ni8 h ALA 17 CO 0.09 0.49 0.00 0.00 0.00 0.00 0.00 179.25 179.83 1ni8 h ARG 18 N 0.00 0.00 -0.63 0.00 3.08 -1.40 -1.89 114.38 113.53 1ni8 h ARG 18 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1ni8 h ARG 18 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.76 1ni8 h ARG 18 CO 0.05 0.00 0.00 -1.91 -1.07 0.00 0.00 179.97 177.04 1ni8 n GLU 19 N -3.06 3.41 -4.23 0.04 4.07 -1.01 -4.97 120.64 114.89 1ni8 n GLU 19 Ca -0.02 -2.78 -0.13 0.00 -0.06 0.00 0.00 57.16 54.17 1ni8 n GLU 19 Cb 0.13 -1.77 -0.10 0.00 -0.06 0.00 0.00 31.44 29.64 1ni8 n GLU 19 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1ni8 s THR 21 N -3.36 3.53 0.27 0.00 -4.23 -1.26 -4.97 115.64 105.62 1ni8 s THR 21 Ca 0.15 0.22 -0.01 0.00 -1.18 0.00 0.00 61.69 60.88 1ni8 s THR 21 Cb 0.03 -3.45 0.13 0.00 1.34 0.00 0.00 72.50 70.55 1ni8 s THR 21 CO -0.01 -0.53 1.79 0.25 -0.54 0.00 0.00 174.62 175.59 1ni8 h LEU 22 N -0.42 0.75 -0.95 4.79 5.85 -1.99 -2.83 115.31 120.50 1ni8 h LEU 22 Ca -0.45 -0.16 0.04 0.00 0.84 0.00 0.00 57.88 58.15 1ni8 h LEU 22 Cb 1.26 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 42.03 1ni8 h LEU 22 CO 0.62 0.78 0.62 1.05 -0.34 0.00 0.00 178.44 181.17 1ni8 h GLU 23 N 0.75 1.14 -0.14 1.25 4.11 -2.00 -0.41 114.58 119.28 1ni8 h GLU 23 Ca 0.16 -0.07 -0.11 0.00 0.07 0.00 0.00 59.36 59.41 1ni8 h GLU 23 Cb 0.38 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1ni8 h GLU 23 CO 0.01 0.76 -0.40 1.15 0.07 0.00 0.00 179.01 180.60 1ni8 h THR 24 N 1.18 1.30 -0.10 -1.06 2.02 -1.90 -2.65 112.91 111.70 1ni8 h THR 24 Ca 0.39 -1.51 -0.10 0.00 0.77 0.00 0.00 66.41 65.96 1ni8 h THR 24 Cb 0.04 1.63 -0.01 0.00 -1.74 0.00 0.00 68.15 68.07 1ni8 h THR 24 CO -0.13 0.46 -0.40 -0.07 0.37 0.00 0.00 175.52 175.74 1ni8 h LEU 25 N 0.27 0.22 -0.32 2.58 3.38 -0.98 -2.18 115.31 118.28 1ni8 h LEU 25 Ca 0.03 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 1ni8 h LEU 25 Cb 0.82 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 1ni8 h LEU 25 CO 0.07 0.61 -0.11 -0.33 0.09 0.00 0.00 178.44 178.76 1ni8 h GLU 26 N 0.18 0.63 -0.65 1.13 4.39 -0.78 -2.03 114.58 117.45 1ni8 h GLU 26 Ca 0.02 -0.26 -0.04 0.00 0.34 0.00 0.00 59.36 59.42 1ni8 h GLU 26 Cb 0.79 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.39 1ni8 h GLU 26 CO 0.06 0.83 0.26 0.93 -1.16 0.00 0.00 179.01 179.93 1ni8 h GLU 27 N 0.40 0.98 -0.96 2.33 5.08 -1.37 -1.95 114.58 119.08 1ni8 h GLU 27 Ca 0.08 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1ni8 h GLU 27 Cb 0.62 -0.16 -0.05 0.00 0.50 0.00 0.00 28.75 29.66 1ni8 h GLU 27 CO 0.04 0.82 0.60 0.52 -1.00 0.00 0.00 179.01 179.99 1ni8 h MET 28 N 0.92 1.30 -0.39 2.33 2.86 -1.28 -1.88 114.93 118.80 1ni8 h MET 28 Ca 0.22 -0.11 -0.09 0.00 -2.06 0.00 0.00 59.70 57.66 1ni8 h MET 28 Cb 0.21 -0.28 -0.02 0.00 0.06 0.00 0.00 31.60 31.58 1ni8 h MET 28 CO -0.02 0.89 -0.13 1.25 1.06 0.00 0.00 176.91 179.97 1ni8 h LEU 29 N 1.32 0.68 -0.15 1.22 5.85 -0.96 -2.51 115.31 120.76 1ni8 h LEU 29 Ca 0.35 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 1ni8 h LEU 29 Cb -0.09 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 40.75 1ni8 h LEU 29 CO -0.07 0.83 0.06 -0.08 -0.34 0.00 0.00 178.44 178.84 1ni8 h GLU 30 N 0.63 0.23 -0.56 1.25 4.22 -0.62 -1.48 114.58 118.24 1ni8 h GLU 30 Ca 0.11 -0.04 0.01 0.00 0.08 0.00 0.00 59.36 59.52 1ni8 h GLU 30 Cb 0.58 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.76 1ni8 h GLU 30 CO 0.04 0.32 0.36 0.87 -2.18 0.00 0.00 179.01 178.42 1ni8 h LYS 31 N 0.09 0.71 -0.75 1.92 6.56 -1.24 -1.04 116.57 122.82 1ni8 h LYS 31 Ca 0.05 -0.04 -0.06 0.00 -1.06 0.00 0.00 60.65 59.54 1ni8 h LYS 31 Cb 0.17 -0.16 -0.03 0.00 -0.57 0.00 0.00 32.23 31.64 1ni8 h LYS 31 CO -0.00 0.47 0.24 1.25 -2.06 0.00 0.00 179.45 179.35 1ni8 h LEU 32 N 0.74 1.09 -0.68 2.94 5.85 -1.33 -0.54 115.31 123.37 1ni8 h LEU 32 Ca 0.21 -0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 1ni8 h LEU 32 Cb -0.06 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.66 1ni8 h LEU 32 CO -0.06 1.00 0.30 -0.33 -0.34 0.00 0.00 178.44 179.01 1ni8 h GLU 33 N 1.12 1.01 -0.43 1.25 5.08 -0.81 -1.33 114.58 120.47 1ni8 h GLU 33 Ca 0.24 -0.17 -0.10 0.00 -1.00 0.00 0.00 59.36 58.34 1ni8 h GLU 33 Cb 0.30 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 1ni8 h GLU 33 CO -0.01 0.82 -0.15 0.28 -1.00 0.00 0.00 179.01 178.95 1ni8 h VAL 34 N 0.96 1.26 -0.59 3.13 2.07 -0.80 -0.29 116.25 122.00 1ni8 h VAL 34 Ca 0.23 -1.23 -0.07 0.00 0.82 0.00 0.00 66.70 66.46 1ni8 h VAL 34 Cb 0.17 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 1ni8 h VAL 34 CO -0.02 0.42 0.11 0.58 0.02 0.00 0.00 177.57 178.67 1ni8 h VAL 35 N 0.71 1.26 -0.24 2.57 2.07 -0.67 0.17 116.25 122.12 1ni8 h VAL 35 Ca 0.11 -0.97 -0.17 0.00 0.82 0.00 0.00 66.70 66.50 1ni8 h VAL 35 Cb 0.64 0.74 -0.00 0.00 -1.52 0.00 0.00 31.29 31.14 1ni8 h VAL 35 CO 0.04 0.36 -0.54 0.58 0.02 0.00 0.00 177.57 178.03 1ni8 h VAL 36 N 0.88 1.30 -0.16 2.57 2.07 -1.09 -2.81 116.25 119.00 1ni8 h VAL 36 Ca 0.18 -1.75 -0.11 0.00 0.82 0.00 0.00 66.70 65.84 1ni8 h VAL 36 Cb 0.40 1.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.85 1ni8 h VAL 36 CO 0.01 0.56 -0.38 0.78 0.02 0.00 0.00 177.57 178.56 1ni8 h ASN 37 N 0.55 0.36 -0.66 0.57 2.35 -0.78 -0.92 115.58 117.04 1ni8 h ASN 37 Ca 0.01 -0.14 -0.04 0.00 -0.55 0.00 0.00 56.30 55.58 1ni8 h ASN 37 Cb 1.11 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 39.35 1ni8 h ASN 37 CO 0.11 0.71 0.27 -0.33 -1.65 0.00 0.00 177.43 176.53 1ni8 h GLU 38 N 0.29 0.98 -0.02 0.81 5.08 -0.51 -1.66 114.58 119.55 1ni8 h GLU 38 Ca 0.03 -0.17 -0.14 0.00 -1.00 0.00 0.00 59.36 58.08 1ni8 h GLU 38 Cb 0.80 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 1ni8 h GLU 38 CO 0.06 0.81 -0.63 0.00 -1.00 0.00 0.00 179.01 178.26 1ni8 h ARG 39 N 0.92 0.07 -0.73 2.33 2.47 -1.27 -2.97 114.38 115.21 1ni8 h ARG 39 Ca 0.22 -0.05 -0.03 0.00 -1.26 0.00 0.00 59.98 58.86 1ni8 h ARG 39 Cb 0.20 0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 28.49 1ni8 h ARG 39 CO -0.02 0.68 0.34 0.00 0.56 0.00 0.00 179.97 181.52 1ni8 h ARG 40 N 0.05 1.04 -0.79 0.04 3.08 -0.50 -0.92 114.38 116.38 1ni8 h ARG 40 Ca -0.01 -0.15 -0.04 0.00 0.07 0.00 0.00 59.98 59.85 1ni8 h ARG 40 Cb 1.13 -0.19 -0.03 0.00 0.08 0.00 0.00 29.97 30.95 1ni8 h ARG 40 CO 0.09 0.81 0.32 1.49 -1.07 0.00 0.00 179.97 181.61 1ni8 h GLU 41 N 1.03 1.18 -0.38 0.04 4.22 -1.17 0.36 114.58 119.87 1ni8 h GLU 41 Ca 0.25 -0.21 -0.12 0.00 0.08 0.00 0.00 59.36 59.35 1ni8 h GLU 41 Cb 0.13 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1ni8 h GLU 41 CO -0.03 0.96 -0.26 1.49 -2.18 0.00 0.00 179.01 178.98 1ni8 h GLU 42 N 1.15 0.78 -0.34 1.92 4.57 -1.33 -0.81 114.58 120.52 1ni8 h GLU 42 Ca 0.26 -0.34 -0.14 0.00 -1.18 0.00 0.00 59.36 57.96 1ni8 h GLU 42 Cb 0.21 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.77 1ni8 h GLU 42 CO -0.02 0.96 -0.36 0.93 -1.18 0.00 0.00 179.01 179.33 1ni8 h GLU 43 N 0.67 0.79 -0.03 1.92 4.39 -0.76 -2.01 114.58 119.55 1ni8 h GLU 43 Ca 0.08 -0.39 -0.14 0.00 0.34 0.00 0.00 59.36 59.25 1ni8 h GLU 43 Cb 0.79 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.43 1ni8 h GLU 43 CO 0.07 1.02 -0.64 1.03 -1.16 0.00 0.00 179.01 179.33 1ni8 h SER 44 N 0.65 0.16 -0.03 1.42 0.87 -0.79 -3.14 113.55 112.69 1ni8 h SER 44 Ca 0.06 -0.09 -0.18 0.00 -1.23 0.00 0.00 61.79 60.35 1ni8 h SER 44 Cb 0.91 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.83 1ni8 h SER 44 CO 0.08 0.75 -0.62 0.00 -0.53 0.00 0.00 176.83 176.52 1ni8 h ALA 45 N 1.25 0.57 0.00 6.23 0.00 -1.00 -3.51 119.26 122.80 1ni8 h ALA 45 Ca -0.01 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1ni8 h ALA 45 Cb 1.14 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1ni8 h ALA 45 CO 0.09 0.70 0.00 0.00 0.00 0.00 0.00 179.25 180.04