#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nd9 s ASP 3 N 0.00 6.17 0.17 1.09 1.11 -1.26 -2.18 116.67 121.77 1nd9 s ASP 3 Ca 0.00 0.32 -0.01 0.00 0.18 0.00 0.00 52.55 53.03 1nd9 s ASP 3 Cb 0.00 -2.03 -0.04 0.00 1.07 0.00 0.00 42.92 41.92 1nd9 s ASP 3 CO 0.00 0.29 0.11 -0.69 1.18 0.00 0.00 175.17 176.06 1nd9 s VAL 4 N -0.34 0.04 -0.05 -1.27 1.01 -0.83 -4.86 120.40 114.11 1nd9 s VAL 4 Ca 0.11 -1.93 -0.30 0.00 0.00 0.00 0.00 61.98 59.86 1nd9 s VAL 4 Cb -0.12 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 33.94 1nd9 s VAL 4 CO 0.01 -0.20 1.31 0.42 0.00 0.00 0.00 175.10 176.64 1nd9 s THR 5 N -4.10 4.01 0.57 3.92 -4.23 -1.26 -2.40 115.64 112.14 1nd9 s THR 5 Ca 0.32 1.34 -0.19 0.00 -1.18 0.00 0.00 61.69 61.98 1nd9 s THR 5 Cb 0.07 -3.86 -0.07 0.00 1.34 0.00 0.00 72.50 69.97 1nd9 s THR 5 CO 0.07 -0.02 0.70 0.00 -0.54 0.00 0.00 174.62 174.83 1nd9 n ILE 6 N 4.78 2.76 0.00 2.99 0.13 -0.57 -3.05 119.36 126.41 1nd9 n ILE 6 Ca 0.12 -0.50 0.00 0.00 -1.10 0.00 0.00 62.75 61.27 1nd9 n ILE 6 Cb 0.45 -0.86 0.00 0.00 -0.84 0.00 0.00 39.64 38.39 1nd9 n ILE 6 CO 0.00 0.00 0.00 1.17 2.80 0.00 0.00 176.55 180.52 1nd9 n LYS 7 N -0.36 0.00 -0.28 9.51 3.00 -1.26 -2.90 118.16 125.87 1nd9 n LYS 7 Ca 0.12 0.00 0.10 0.00 -0.00 0.00 0.00 58.31 58.53 1nd9 n LYS 7 Cb 0.47 0.00 0.25 0.00 0.00 0.00 0.00 35.03 35.75 1nd9 n LYS 7 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 1nd9 h THR 8 N 0.00 0.46 -0.09 3.15 2.02 -1.96 1.38 112.91 117.87 1nd9 h THR 8 Ca 0.00 -0.11 -0.06 0.00 0.77 0.00 0.00 66.41 67.01 1nd9 h THR 8 Cb 0.00 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.53 1nd9 h THR 8 CO 0.00 0.06 -0.17 0.25 0.37 0.00 0.00 175.52 176.02 1nd9 h LEU 9 N 0.31 0.30 -0.49 2.58 7.12 -1.78 -2.02 115.31 121.34 1nd9 h LEU 9 Ca 0.50 -0.56 0.09 0.00 0.13 0.00 0.00 57.88 58.04 1nd9 h LEU 9 Cb 0.93 -0.09 -0.10 0.00 -0.53 0.00 0.00 40.66 40.87 1nd9 h LEU 9 CO -0.55 0.81 -0.35 0.00 -0.13 0.00 0.00 178.44 178.22 1nd9 h ALA 10 N 0.50 -0.18 -0.19 1.25 0.00 0.26 0.14 119.26 121.04 1nd9 h ALA 10 Ca 0.00 0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.05 1nd9 h ALA 10 Cb 0.76 0.79 -0.02 0.00 0.00 0.00 0.00 17.79 19.32 1nd9 h ALA 10 CO 0.04 -0.74 0.09 0.00 0.00 0.00 0.00 179.25 178.65 1nd9 h ALA 11 N 0.79 0.23 -0.24 0.00 0.00 0.14 -1.71 119.26 118.47 1nd9 h ALA 11 Ca 0.19 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1nd9 h ALA 11 Cb 0.55 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1nd9 h ALA 11 CO -0.61 -0.33 0.00 -1.91 0.00 0.00 0.00 179.25 176.40 1nd9 n GLU 12 N -5.01 0.00 -0.02 0.00 4.07 0.45 -1.31 120.64 118.83 1nd9 n GLU 12 Ca -0.03 0.47 -0.13 0.00 -0.06 0.00 0.00 57.16 57.41 1nd9 n GLU 12 Cb 0.05 -0.73 -0.10 0.00 -0.06 0.00 0.00 31.44 30.61 1nd9 n GLU 12 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1nd9 h ARG 13 N 0.00 0.06 0.00 5.31 -0.00 -1.52 -3.47 114.38 114.76 1nd9 h ARG 13 Ca 0.00 -0.04 0.00 0.00 -0.50 0.00 0.00 59.98 59.44 1nd9 h ARG 13 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29.97 29.97 1nd9 h ARG 13 CO 0.00 0.57 0.00 0.94 0.00 0.00 0.00 179.97 181.48 1nd9 n GLN 14 N -4.78 0.00 0.00 0.04 0.00 -0.42 -4.46 117.38 107.75 1nd9 n GLN 14 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.92 1nd9 n GLN 14 Cb 0.29 -0.13 0.00 0.00 0.00 0.00 0.00 30.24 30.40 1nd9 n GLN 14 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.06 177.31 1nd9 n THR 15 N -0.34 0.31 0.00 1.69 -2.24 -1.26 -4.84 114.28 107.61 1nd9 n THR 15 Ca 0.00 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 1nd9 n THR 15 Cb 0.00 0.93 0.00 0.00 -2.10 0.00 0.00 70.33 69.16 1nd9 n THR 15 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1nd9 n SER 16 N -0.16 0.00 -0.14 3.42 7.64 -1.26 -4.79 113.62 118.33 1nd9 n SER 16 Ca 0.00 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.84 1nd9 n SER 16 Cb 0.38 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.60 1nd9 n SER 16 CO 0.00 0.00 0.00 1.62 -3.01 0.00 0.00 175.04 173.65 1nd9 h VAL 17 N 0.00 0.42 -0.58 0.44 3.04 -1.84 0.92 116.25 118.65 1nd9 h VAL 17 Ca 0.00 0.00 0.12 0.00 -1.01 0.00 0.00 66.70 65.81 1nd9 h VAL 17 Cb 0.00 0.42 -0.11 0.00 -2.01 0.00 0.00 31.29 29.59 1nd9 h VAL 17 CO 0.00 0.00 -0.15 -0.08 -1.01 0.00 0.00 177.57 176.33 1nd9 h GLU 18 N -0.08 -0.00 -0.39 4.17 4.81 -1.74 0.34 114.58 121.69 1nd9 h GLU 18 Ca 0.22 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.47 1nd9 h GLU 18 Cb 0.42 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.77 1nd9 h GLU 18 CO -0.52 -0.00 0.22 0.00 -0.73 0.00 0.00 179.01 177.98 1nd9 h ARG 19 N -0.00 0.44 -0.60 1.92 2.47 -1.44 -2.53 114.38 114.64 1nd9 h ARG 19 Ca 0.28 -0.03 0.12 0.00 -1.26 0.00 0.00 59.98 59.10 1nd9 h ARG 19 Cb 0.43 -0.10 -0.10 0.00 -1.65 0.00 0.00 29.97 28.54 1nd9 h ARG 19 CO -0.60 0.29 -0.03 1.37 0.56 0.00 0.00 179.97 181.56 1nd9 h LEU 20 N 0.45 -0.32 -0.23 3.04 8.10 0.44 -2.04 115.31 124.75 1nd9 h LEU 20 Ca 0.16 0.16 0.05 0.00 0.11 0.00 0.00 57.88 58.35 1nd9 h LEU 20 Cb 0.02 0.28 -0.05 0.00 -0.44 0.00 0.00 40.66 40.47 1nd9 h LEU 20 CO -0.08 -0.13 -0.12 0.58 -4.11 0.00 0.00 178.44 174.59 1nd9 h VAL 21 N 0.09 0.64 0.00 0.15 2.07 -0.23 0.17 116.25 119.15 1nd9 h VAL 21 Ca 0.31 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.83 1nd9 h VAL 21 Cb 0.50 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1nd9 h VAL 21 CO -0.54 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.05 1nd9 n GLN 22 N -5.28 0.00 -0.17 1.57 6.02 -0.79 -1.33 117.38 117.40 1nd9 n GLN 22 Ca -0.01 0.49 -0.02 0.00 -0.01 0.00 0.00 57.00 57.45 1nd9 n GLN 22 Cb 0.20 -1.46 0.05 0.00 1.02 0.00 0.00 30.24 30.05 1nd9 n GLN 22 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 1nd9 h GLN 23 N 0.00 0.03 -0.57 -1.09 7.50 -1.56 -2.11 115.11 117.31 1nd9 h GLN 23 Ca 0.00 -0.00 0.06 0.00 0.50 0.00 0.00 58.65 59.20 1nd9 h GLN 23 Cb 0.00 -0.01 -0.05 0.00 0.05 0.00 0.00 27.48 27.47 1nd9 h GLN 23 CO 0.00 0.02 0.28 0.74 -1.50 0.00 0.00 178.83 178.37 1nd9 h PHE 24 N 0.03 0.52 -0.80 2.96 0.04 -1.00 0.41 116.94 119.09 1nd9 h PHE 24 Ca 0.26 0.02 0.19 0.00 2.80 0.00 0.00 57.97 61.25 1nd9 h PHE 24 Cb 0.41 -0.15 -0.14 0.00 2.20 0.00 0.00 35.95 38.27 1nd9 h PHE 24 CO -0.42 0.23 0.03 0.00 -0.60 0.00 0.00 178.31 177.56 1nd9 h ALA 25 N 1.32 0.88 -0.07 2.45 0.00 -0.50 1.04 119.26 124.39 1nd9 h ALA 25 Ca 0.26 0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.41 1nd9 h ALA 25 Cb 0.19 0.43 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 1nd9 h ALA 25 CO -0.19 -0.44 0.01 0.22 0.00 0.00 0.00 179.25 178.85 1nd9 h ASP 26 N 0.11 0.11 0.00 0.00 3.58 -1.02 -3.33 116.42 115.86 1nd9 h ASP 26 Ca 0.45 -0.26 0.00 0.00 0.42 0.00 0.00 57.03 57.64 1nd9 h ASP 26 Cb 0.82 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.84 1nd9 h ASP 26 CO -0.69 0.35 0.00 0.00 -2.88 0.00 0.00 179.24 176.01 1nd9 n ALA 27 N -2.25 -0.08 0.00 -0.78 0.00 0.32 -4.78 120.51 112.94 1nd9 n ALA 27 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1nd9 n ALA 27 Cb 0.16 0.34 0.00 0.00 0.00 0.00 0.00 19.45 19.95 1nd9 n ALA 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nd9 n GLY 28 N -0.97 0.00 1.90 0.00 0.00 0.86 -5.06 105.19 101.92 1nd9 n GLY 28 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1nd9 n GLY 28 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1nd9 n ILE 29 N 0.00 0.00 -2.02 -0.61 5.41 -0.61 -5.00 119.36 116.54 1nd9 n ILE 29 Ca 0.00 -1.40 -0.28 0.00 1.00 0.00 0.00 62.75 62.07 1nd9 n ILE 29 Cb 0.00 0.62 0.09 0.00 -0.71 0.00 0.00 39.64 39.65 1nd9 n ILE 29 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 1nd9 s ARG 30 N -2.83 1.88 0.59 0.38 0.52 -1.26 -3.99 118.95 114.24 1nd9 s ARG 30 Ca 0.19 -0.10 -0.04 0.00 -0.52 0.00 0.00 55.73 55.26 1nd9 s ARG 30 Cb 0.01 -2.02 0.02 0.00 0.52 0.00 0.00 34.95 33.48 1nd9 s ARG 30 CO 0.13 -1.57 0.88 0.15 0.02 0.00 0.00 175.30 174.91 1nd9 s LYS 31 N -5.50 2.72 0.53 3.54 3.01 -1.26 -2.60 119.74 120.18 1nd9 s LYS 31 Ca 0.63 -0.23 0.09 0.00 -1.01 0.00 0.00 55.97 55.45 1nd9 s LYS 31 Cb -0.10 -2.32 0.06 0.00 -1.01 0.00 0.00 37.83 34.46 1nd9 s LYS 31 CO 0.48 -0.76 0.70 -1.54 0.51 0.00 0.00 175.35 174.74 1nd9 s SER 32 N -4.36 5.23 0.00 2.83 1.04 -1.26 -4.49 113.70 112.69 1nd9 s SER 32 Ca 0.55 -0.75 0.00 0.00 0.48 0.00 0.00 55.95 56.23 1nd9 s SER 32 Cb -0.10 0.02 0.00 0.00 0.10 0.00 0.00 66.02 66.04 1nd9 s SER 32 CO 0.43 -1.16 0.00 0.00 0.98 0.00 0.00 173.24 173.49 1nd9 n ALA 33 N -2.10 -0.11 -2.55 5.32 0.00 -1.26 -4.84 120.51 114.97 1nd9 n ALA 33 Ca 0.13 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.53 1nd9 n ALA 33 Cb 0.61 -0.21 -0.03 0.00 0.00 0.00 0.00 19.45 19.82 1nd9 n ALA 33 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1nd9 n ASP 34 N -0.52 -3.13 0.00 0.00 8.00 -1.25 -5.00 116.55 114.65 1nd9 n ASP 34 Ca 0.00 1.47 0.00 0.00 0.71 0.00 0.00 54.79 56.97 1nd9 n ASP 34 Cb 0.21 -4.98 0.00 0.00 -0.02 0.00 0.00 41.12 36.32 1nd9 n ASP 34 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1nd9 n ASP 35 N 1.82 0.00 -4.10 -2.24 2.03 -1.14 -4.97 116.55 107.95 1nd9 n ASP 35 Ca -0.29 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 54.70 1nd9 n ASP 35 Cb 0.44 0.00 -0.16 0.00 -0.72 0.00 0.00 41.12 40.68 1nd9 n ASP 35 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1nd9 s SER 36 N -4.00 3.29 0.35 1.67 1.04 -1.26 -1.51 113.70 113.28 1nd9 s SER 36 Ca 0.00 -0.75 0.01 0.00 0.48 0.00 0.00 55.95 55.69 1nd9 s SER 36 Cb 0.00 -1.46 -0.01 0.00 0.10 0.00 0.00 66.02 64.66 1nd9 s SER 36 CO 0.00 -0.04 0.42 0.54 0.98 0.00 0.00 173.24 175.14 1nd9 s VAL 37 N 1.28 0.00 0.52 5.02 0.11 -1.01 -4.21 120.40 122.12 1nd9 s VAL 37 Ca 0.03 -1.73 -0.11 0.00 -2.93 0.00 0.00 61.98 57.24 1nd9 s VAL 37 Cb -0.14 -2.62 -0.05 0.00 -1.53 0.00 0.00 36.38 32.04 1nd9 s VAL 37 CO -0.12 0.00 0.91 -0.55 -3.33 0.00 0.00 175.10 172.01 1nd9 s SER 38 N -3.30 6.38 0.04 3.54 0.15 -1.26 -1.97 113.70 117.30 1nd9 s SER 38 Ca 0.34 1.28 0.09 0.00 0.70 0.00 0.00 55.95 58.35 1nd9 s SER 38 Cb 0.00 -2.39 -0.03 0.00 -1.71 0.00 0.00 66.02 61.89 1nd9 s SER 38 CO 0.24 -0.64 -0.24 0.00 1.20 0.00 0.00 173.24 173.79 1nd9 s ALA 39 N -2.79 2.06 0.00 5.45 0.00 -0.93 -4.58 121.76 120.98 1nd9 s ALA 39 Ca 0.53 -1.19 0.00 0.00 0.00 0.00 0.00 51.96 51.30 1nd9 s ALA 39 Cb -0.10 -0.42 0.00 0.00 0.00 0.00 0.00 23.12 22.59 1nd9 s ALA 39 CO 0.42 0.48 0.00 1.04 0.00 0.00 0.00 175.76 177.70 1nd9 n GLN 40 N 1.80 -0.85 0.25 0.00 1.13 -1.26 -4.20 117.38 114.26 1nd9 n GLN 40 Ca -0.17 0.21 0.18 0.00 -1.94 0.00 0.00 57.00 55.28 1nd9 n GLN 40 Cb 0.52 -4.16 0.88 0.00 0.11 0.00 0.00 30.24 27.60 1nd9 n GLN 40 CO 0.00 0.00 0.00 0.93 -1.44 0.00 0.00 177.06 176.55 1nd9 h GLU 41 N 0.57 0.00 0.00 -1.09 4.39 -1.90 -3.38 114.58 113.17 1nd9 h GLU 41 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1nd9 h GLU 41 Cb 0.42 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 1nd9 h GLU 41 CO 0.00 0.00 0.00 0.36 -1.16 0.00 0.00 179.01 178.21 1nd9 n LYS 42 N -3.37 0.00 0.32 2.33 2.85 -1.26 -2.32 118.16 116.71 1nd9 n LYS 42 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1nd9 n LYS 42 Cb 0.34 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.72 1nd9 n LYS 42 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 177.40 178.29 1nd9 n GLN 43 N 0.00 0.03 -0.21 -1.58 -0.06 -1.26 -1.06 117.38 113.24 1nd9 n GLN 43 Ca 0.00 0.93 0.00 0.00 -2.00 0.00 0.00 57.00 55.93 1nd9 n GLN 43 Cb 0.00 -2.56 0.08 0.00 -4.06 0.00 0.00 30.24 23.70 1nd9 n GLN 43 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1nd9 h THR 44 N 0.00 0.42 -0.19 1.69 1.03 -1.80 0.31 112.91 114.37 1nd9 h THR 44 Ca 0.00 -0.02 0.05 0.00 -0.01 0.00 0.00 66.41 66.44 1nd9 h THR 44 Cb 1.98 0.37 -0.07 0.00 -1.07 0.00 0.00 68.15 69.36 1nd9 h THR 44 CO 0.00 0.01 -0.28 -0.07 -0.01 0.00 0.00 175.52 175.17 1nd9 h LEU 45 N 0.04 -0.87 0.36 0.00 3.38 -1.42 -1.03 115.31 115.77 1nd9 h LEU 45 Ca 0.31 0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.41 1nd9 h LEU 45 Cb 0.50 0.39 0.00 0.00 0.09 0.00 0.00 40.66 41.64 1nd9 h LEU 45 CO -0.60 -0.31 -0.17 0.40 0.09 0.00 0.00 178.44 177.85 1nd9 h ILE 46 N -0.31 0.40 -0.00 1.22 5.03 -1.52 -2.65 117.51 119.68 1nd9 h ILE 46 Ca 0.12 -0.71 0.00 0.00 -0.12 0.00 0.00 64.86 64.15 1nd9 h ILE 46 Cb 0.50 0.64 -0.01 0.00 -3.03 0.00 0.00 36.82 34.91 1nd9 h ILE 46 CO -0.37 0.09 -0.10 -0.78 -0.68 0.00 0.00 178.15 176.31 1nd9 h ASP 47 N -0.99 -0.32 -0.53 1.72 3.58 -0.40 -0.89 116.42 118.60 1nd9 h ASP 47 Ca -0.05 0.04 0.11 0.00 0.42 0.00 0.00 57.03 57.54 1nd9 h ASP 47 Cb 0.51 0.12 -0.10 0.00 1.72 0.00 0.00 39.33 41.59 1nd9 h ASP 47 CO 0.08 -0.10 -0.10 0.45 -2.88 0.00 0.00 179.24 176.69 1nd9 h HIS 48 N -0.13 -0.22 0.00 0.28 3.86 -1.36 -2.96 115.15 114.63 1nd9 h HIS 48 Ca 0.00 0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 1nd9 h HIS 48 Cb 0.14 0.18 0.00 0.00 1.06 0.00 0.00 27.41 28.79 1nd9 h HIS 48 CO -0.40 -0.21 0.00 1.28 0.86 0.00 0.00 177.93 179.46 1nd9 n LEU 49 N -5.34 0.00 0.00 2.43 4.77 -1.00 -5.10 117.00 112.76 1nd9 n LEU 49 Ca 0.05 1.00 0.08 0.00 -0.03 0.00 0.00 56.01 57.11 1nd9 n LEU 49 Cb 0.28 -0.50 0.47 0.00 -2.33 0.00 0.00 43.42 41.35 1nd9 n LEU 49 CO 0.10 -0.50 0.68 0.59 -1.33 0.00 0.00 177.39 176.93