#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 -0.21 0.00 0.05 0.00 0.00 59.36 59.20 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 0.47 -1.18 0.00 0.05 0.00 0.00 179.01 178.35 1ni8 h ALA 3 N 1.31 0.58 -0.05 1.06 0.00 -2.06 -3.15 119.26 116.95 1ni8 h ALA 3 Ca -0.13 -0.97 -0.24 0.00 0.00 0.00 0.00 54.91 53.57 1ni8 h ALA 3 Cb 1.64 0.12 0.01 0.00 0.00 0.00 0.00 17.79 19.56 1ni8 h ALA 3 CO 0.07 1.17 -0.92 -0.07 0.00 0.00 0.00 179.25 179.50 1ni8 h LEU 4 N 0.00 0.79 -0.99 0.00 4.07 -2.02 -3.02 115.31 114.15 1ni8 h LEU 4 Ca -0.11 -0.59 -0.10 0.00 0.08 0.00 0.00 57.88 57.15 1ni8 h LEU 4 Cb 1.74 -0.24 -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 0.39 0.00 -0.27 1.13 2.10 -1.65 -2.95 116.57 115.31 1ni8 h LYS 5 Ca -0.09 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.43 1ni8 h LYS 5 Cb 1.55 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.87 1ni8 h LYS 5 CO 0.18 0.49 -0.36 0.82 -2.00 0.00 0.00 179.45 178.57 1ni8 h ILE 6 N 0.00 1.29 -0.04 0.07 1.08 -1.53 -2.74 117.51 115.64 1ni8 h ILE 6 Ca -0.00 -1.51 0.01 0.00 -0.39 0.00 0.00 64.86 62.97 1ni8 h ILE 6 Cb 0.90 1.48 -0.00 0.00 -3.07 0.00 0.00 36.82 36.12 1ni8 h ILE 6 CO 0.06 0.48 0.06 -0.07 -0.69 0.00 0.00 178.15 178.00 1ni8 h LEU 7 N 0.51 0.00 -0.96 1.44 3.38 -1.38 -1.24 115.31 117.06 1ni8 h LEU 7 Ca 0.05 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.91 1ni8 h LEU 7 Cb 0.87 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 1ni8 h LEU 7 CO 0.07 0.00 -0.50 0.78 0.09 0.00 0.00 178.44 178.89 1ni8 h ASN 8 N 0.00 0.06 -3.20 -0.43 4.21 -1.56 -3.37 115.58 111.30 1ni8 h ASN 8 Ca 0.02 -0.03 -0.74 0.00 1.21 0.00 0.00 56.30 56.76 1ni8 h ASN 8 Cb 0.14 -0.02 -0.22 0.00 -1.12 0.00 0.00 38.32 37.10 1ni8 h ASN 8 CO -0.00 0.55 0.24 0.20 -1.29 0.00 0.00 177.43 177.13 1ni8 s ASN 9 N -6.89 6.53 0.34 5.81 -0.87 -0.47 -4.90 114.94 114.49 1ni8 s ASN 9 Ca -0.03 -2.14 0.02 0.00 -1.57 0.00 0.00 52.86 49.14 1ni8 s ASN 9 Cb 0.13 -2.28 0.60 0.00 -0.02 0.00 0.00 41.25 39.69 1ni8 s ASN 9 CO 0.75 -0.85 1.99 -0.29 -2.57 0.00 0.00 177.10 176.14 1ni8 h ILE 10 N 5.42 1.17 -0.95 0.60 6.09 -1.79 -2.35 117.51 125.70 1ni8 h ILE 10 Ca -0.02 -0.35 0.09 0.00 -1.37 0.00 0.00 64.86 63.21 1ni8 h ILE 10 Cb 1.05 0.24 -0.07 0.00 0.47 0.00 0.00 36.82 38.51 1ni8 h ILE 10 CO 0.95 0.17 0.59 0.03 -3.07 0.00 0.00 178.15 176.82 1ni8 h ARG 11 N 0.88 0.98 0.01 2.19 3.08 -1.94 0.57 114.38 120.15 1ni8 h ARG 11 Ca 0.23 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 60.22 1ni8 h ARG 11 Cb -0.07 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 29.76 1ni8 h ARG 11 CO -0.05 0.65 -0.01 1.15 -1.07 0.00 0.00 179.97 180.65 1ni8 h THR 12 N 1.01 1.20 -0.12 2.04 2.02 -1.77 -2.60 112.91 114.70 1ni8 h THR 12 Ca 0.44 -0.62 -0.03 0.00 0.77 0.00 0.00 66.41 66.96 1ni8 h THR 12 Cb 0.31 1.62 -0.01 0.00 -1.74 0.00 0.00 68.15 68.33 1ni8 h THR 12 CO -0.22 0.16 -0.08 0.25 0.37 0.00 0.00 175.52 176.00 1ni8 h LEU 13 N -0.28 0.16 -0.46 2.58 5.85 -1.20 -2.46 115.31 119.50 1ni8 h LEU 13 Ca -0.00 -0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.74 1ni8 h LEU 13 Cb 0.28 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 1ni8 h LEU 13 CO 0.00 0.27 0.21 -0.09 -0.34 0.00 0.00 178.44 178.50 1ni8 h ARG 14 N 0.17 0.41 -0.32 1.25 2.43 0.47 0.16 114.38 118.95 1ni8 h ARG 14 Ca 0.04 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.09 1ni8 h ARG 14 Cb 0.26 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 1ni8 h ARG 14 CO 0.01 0.27 -0.20 0.00 -1.51 0.00 0.00 179.97 178.55 1ni8 h ALA 15 N 1.26 1.06 -0.14 2.80 0.00 -1.08 -2.85 119.26 120.31 1ni8 h ALA 15 Ca 0.20 -0.33 -0.15 0.00 0.00 0.00 0.00 54.91 54.64 1ni8 h ALA 15 Cb 0.14 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1ni8 h ALA 15 CO -0.16 0.57 -0.54 1.96 0.00 0.00 0.00 179.25 181.08 1ni8 h GLN 16 N 0.53 0.41 -0.00 0.00 1.08 -1.06 -3.08 115.11 112.99 1ni8 h GLN 16 Ca 0.08 -0.25 -0.09 0.00 -1.45 0.00 0.00 58.65 56.95 1ni8 h GLN 16 Cb 0.64 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 28.08 1ni8 h GLN 16 CO 0.05 0.84 -0.40 0.00 -0.95 0.00 0.00 178.83 178.36 1ni8 h ALA 17 N 1.11 1.33 0.00 3.87 0.00 -0.49 -2.69 119.26 122.39 1ni8 h ALA 17 Ca 0.01 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.55 1ni8 h ALA 17 Cb 1.04 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 1ni8 h ALA 17 CO 0.09 0.51 -0.00 0.00 0.00 0.00 0.00 179.25 179.84 1ni8 h ARG 18 N 0.01 0.00 -0.64 0.00 3.08 -1.41 -1.85 114.38 113.56 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 0.00 179.97 177.05 1ni8 n GLU 19 N -3.11 3.48 -4.23 0.04 4.07 -1.01 -4.96 120.64 114.91 1ni8 n GLU 19 Ca -0.02 -2.81 -0.13 0.00 -0.06 0.00 0.00 57.16 54.13 1ni8 n GLU 19 Cb 0.13 -1.80 -0.10 0.00 -0.06 0.00 0.00 31.44 29.61 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 -3.32 3.57 0.27 0.00 -4.23 -1.26 -4.97 115.64 105.70 1ni8 s THR 21 Ca 0.15 0.24 -0.02 0.00 -1.18 0.00 0.00 61.69 60.88 1ni8 s THR 21 Cb 0.03 -3.47 0.14 0.00 1.34 0.00 0.00 72.50 70.54 1ni8 s THR 21 CO -0.01 -0.55 1.80 0.25 -0.54 0.00 0.00 174.62 175.58 1ni8 h LEU 22 N -0.42 0.79 -0.91 4.79 5.85 -1.99 -2.83 115.31 120.59 1ni8 h LEU 22 Ca -0.45 -0.16 0.05 0.00 0.84 0.00 0.00 57.88 58.16 1ni8 h LEU 22 Cb 1.25 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 42.02 1ni8 h LEU 22 CO 0.62 0.80 0.58 1.05 -0.34 0.00 0.00 178.44 181.15 1ni8 h GLU 23 N 0.80 1.06 -0.17 1.25 4.11 -2.00 -0.34 114.58 119.29 1ni8 h GLU 23 Ca 0.17 -0.06 -0.11 0.00 0.07 0.00 0.00 59.36 59.43 1ni8 h GLU 23 Cb 0.34 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1ni8 h GLU 23 CO 0.00 0.70 -0.37 1.15 0.07 0.00 0.00 179.01 180.57 1ni8 h THR 24 N 1.09 1.29 -0.10 -1.06 2.02 -1.90 -2.64 112.91 111.62 1ni8 h THR 24 Ca 0.38 -1.45 -0.10 0.00 0.77 0.00 0.00 66.41 66.01 1ni8 h THR 24 Cb 0.09 1.57 -0.01 0.00 -1.74 0.00 0.00 68.15 68.06 1ni8 h THR 24 CO -0.15 0.44 -0.39 -0.07 0.37 0.00 0.00 175.52 175.73 1ni8 h LEU 25 N 0.30 0.22 -0.32 2.58 3.38 -0.98 -2.17 115.31 118.33 1ni8 h LEU 25 Ca 0.03 -0.09 -0.09 0.00 0.09 0.00 0.00 57.88 57.83 1ni8 h LEU 25 Cb 0.79 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 1ni8 h LEU 25 CO 0.06 0.60 -0.13 -0.33 0.09 0.00 0.00 178.44 178.72 1ni8 h GLU 26 N 0.18 0.66 -0.62 1.13 4.39 -0.77 -2.03 114.58 117.52 1ni8 h GLU 26 Ca 0.02 -0.28 -0.03 0.00 0.34 0.00 0.00 59.36 59.41 1ni8 h GLU 26 Cb 0.77 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.37 1ni8 h GLU 26 CO 0.06 0.86 0.25 0.93 -1.16 0.00 0.00 179.01 179.96 1ni8 h GLU 27 N 0.42 0.93 -0.98 2.33 5.08 -1.37 -1.94 114.58 119.05 1ni8 h GLU 27 Ca 0.07 -0.17 0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1ni8 h GLU 27 Cb 0.66 -0.15 -0.05 0.00 0.50 0.00 0.00 28.75 29.70 1ni8 h GLU 27 CO 0.04 0.78 0.64 0.52 -1.00 0.00 0.00 179.01 180.00 1ni8 h MET 28 N 0.87 1.30 -0.37 2.33 2.86 -1.28 -1.85 114.93 118.80 1ni8 h MET 28 Ca 0.21 -0.09 -0.09 0.00 -2.06 0.00 0.00 59.70 57.67 1ni8 h MET 28 Cb 0.20 -0.29 -0.02 0.00 0.06 0.00 0.00 31.60 31.55 1ni8 h MET 28 CO -0.02 0.87 -0.14 1.25 1.06 0.00 0.00 176.91 179.93 1ni8 h LEU 29 N 1.34 0.65 -0.14 1.22 5.85 -0.96 -2.51 115.31 120.75 1ni8 h LEU 29 Ca 0.36 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 1ni8 h LEU 29 Cb -0.14 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.71 1ni8 h LEU 29 CO -0.08 0.81 0.06 -0.08 -0.34 0.00 0.00 178.44 178.81 1ni8 h GLU 30 N 0.60 0.21 -0.56 1.25 4.22 -0.59 -1.48 114.58 118.23 1ni8 h GLU 30 Ca 0.10 -0.04 0.01 0.00 0.08 0.00 0.00 59.36 59.51 1ni8 h GLU 30 Cb 0.59 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 1ni8 h GLU 30 CO 0.04 0.30 0.37 0.87 -2.18 0.00 0.00 179.01 178.41 1ni8 h LYS 31 N 0.08 0.72 -0.76 1.92 6.56 -1.25 -1.06 116.57 122.79 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 31.63 1ni8 h LYS 31 CO -0.00 0.48 0.26 1.25 -2.06 0.00 0.00 179.45 179.37 1ni8 h LEU 32 N 0.74 1.09 -0.67 2.94 5.85 -1.33 -0.45 115.31 123.48 1ni8 h LEU 32 Ca 0.21 -0.19 -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 40.65 1ni8 h LEU 32 CO -0.06 0.99 0.30 -0.33 -0.34 0.00 0.00 178.44 179.01 1ni8 h GLU 33 N 1.12 0.99 -0.42 1.25 5.08 -0.79 -1.29 114.58 120.52 1ni8 h GLU 33 Ca 0.25 -0.16 -0.10 0.00 -1.00 0.00 0.00 59.36 58.34 1ni8 h GLU 33 Cb 0.28 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1ni8 h GLU 33 CO -0.01 0.80 -0.15 0.28 -1.00 0.00 0.00 179.01 178.93 1ni8 h VAL 34 N 0.94 1.26 -0.60 3.13 2.07 -0.79 -0.27 116.25 121.99 1ni8 h VAL 34 Ca 0.23 -1.23 -0.07 0.00 0.82 0.00 0.00 66.70 66.44 1ni8 h VAL 34 Cb 0.16 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 1ni8 h VAL 34 CO -0.02 0.42 0.10 0.58 0.02 0.00 0.00 177.57 178.66 1ni8 h VAL 35 N 0.70 1.26 -0.25 2.57 2.07 -0.65 0.19 116.25 122.13 1ni8 h VAL 35 Ca 0.11 -0.99 -0.17 0.00 0.82 0.00 0.00 66.70 66.47 1ni8 h VAL 35 Cb 0.65 0.74 -0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1ni8 h VAL 35 CO 0.05 0.37 -0.52 0.58 0.02 0.00 0.00 177.57 178.06 1ni8 h VAL 36 N 0.89 1.30 -0.18 2.57 2.07 -1.07 -2.82 116.25 119.01 1ni8 h VAL 36 Ca 0.18 -1.73 -0.11 0.00 0.82 0.00 0.00 66.70 65.87 1ni8 h VAL 36 Cb 0.42 1.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 1ni8 h VAL 36 CO 0.01 0.55 -0.35 0.78 0.02 0.00 0.00 177.57 178.58 1ni8 h ASN 37 N 0.56 0.38 -0.68 0.57 2.35 -0.78 -0.85 115.58 117.13 1ni8 h ASN 37 Ca 0.02 -0.15 -0.04 0.00 -0.55 0.00 0.00 56.30 55.58 1ni8 h ASN 37 Cb 1.09 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 39.33 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 0.31 1.02 -0.01 0.81 5.08 -0.48 -1.62 114.58 119.69 1ni8 h GLU 38 Ca 0.04 -0.19 -0.14 0.00 -1.00 0.00 0.00 59.36 58.07 1ni8 h GLU 38 Cb 0.77 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 1ni8 h GLU 38 CO 0.06 0.85 -0.65 0.00 -1.00 0.00 0.00 179.01 178.27 1ni8 h ARG 39 N 0.97 0.06 -0.72 2.33 2.47 -1.26 -2.97 114.38 115.26 1ni8 h ARG 39 Ca 0.23 -0.05 -0.03 0.00 -1.26 0.00 0.00 59.98 58.87 1ni8 h ARG 39 Cb 0.21 0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 28.51 1ni8 h ARG 39 CO -0.02 0.69 0.33 0.00 0.56 0.00 0.00 179.97 181.53 1ni8 h ARG 40 N 0.04 1.03 -0.80 0.04 3.08 -0.46 -0.91 114.38 116.40 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 1.15 -0.19 -0.04 0.00 0.08 0.00 0.00 29.97 30.98 1ni8 h ARG 40 CO 0.09 0.81 0.33 1.49 -1.07 0.00 0.00 179.97 181.62 1ni8 h GLU 41 N 1.02 1.19 -0.39 0.04 4.22 -1.16 0.38 114.58 119.89 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 0.12 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1ni8 h GLU 41 CO -0.03 0.96 -0.25 1.49 -2.18 0.00 0.00 179.01 179.00 1ni8 h GLU 42 N 1.16 0.81 -0.35 1.92 4.57 -1.33 -0.78 114.58 120.58 1ni8 h GLU 42 Ca 0.27 -0.34 -0.14 0.00 -1.18 0.00 0.00 59.36 57.96 1ni8 h GLU 42 Cb 0.20 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.75 1ni8 h GLU 42 CO -0.02 0.97 -0.35 0.93 -1.18 0.00 0.00 179.01 179.36 1ni8 h GLU 43 N 0.70 0.80 -0.04 1.92 4.39 -0.75 -1.99 114.58 119.62 1ni8 h GLU 43 Ca 0.09 -0.39 -0.15 0.00 0.34 0.00 0.00 59.36 59.25 1ni8 h GLU 43 Cb 0.78 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.41 1ni8 h GLU 43 CO 0.06 1.02 -0.63 1.03 -1.16 0.00 0.00 179.01 179.33 1ni8 h SER 44 N 0.67 0.18 -0.02 1.42 0.87 -0.79 -3.14 113.55 112.75 1ni8 h SER 44 Ca 0.07 -0.11 -0.18 0.00 -1.23 0.00 0.00 61.79 60.34 1ni8 h SER 44 Cb 0.90 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.80 1ni8 h SER 44 CO 0.08 0.77 -0.62 0.00 -0.53 0.00 0.00 176.83 176.53 1ni8 h ALA 45 N 1.23 0.58 0.00 6.23 0.00 -0.98 -3.51 119.26 122.81 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 18.86 1ni8 h ALA 45 CO 0.09 0.70 0.00 0.00 0.00 0.00 0.00 179.25 180.04