#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 6.43 0.28 8.00 1.01 -1.26 -1.91 116.67 129.22 1nd9 s ASP 3 Ca 0.00 0.50 0.00 0.00 0.71 0.00 0.00 52.55 53.77 1nd9 s ASP 3 Cb 0.00 -2.23 -0.02 0.00 1.01 0.00 0.00 42.92 41.68 1nd9 s ASP 3 CO 0.00 -0.09 0.30 -0.69 0.21 0.00 0.00 175.17 174.90 1nd9 s VAL 4 N 1.37 0.00 -0.19 -1.27 1.01 -1.07 -4.89 120.40 115.36 1nd9 s VAL 4 Ca 0.19 -1.84 -0.20 0.00 0.00 0.00 0.00 61.98 60.13 1nd9 s VAL 4 Cb -0.15 -2.50 -0.03 0.00 0.00 0.00 0.00 36.38 33.70 1nd9 s VAL 4 CO 0.08 0.00 0.59 0.42 0.00 0.00 0.00 175.10 176.19 1nd9 s THR 5 N -3.65 5.06 0.73 3.92 -4.23 -1.26 -2.61 115.64 113.60 1nd9 s THR 5 Ca 0.36 1.11 -0.14 0.00 -1.18 0.00 0.00 61.69 61.84 1nd9 s THR 5 Cb 0.03 -3.91 0.04 0.00 1.34 0.00 0.00 72.50 70.00 1nd9 s THR 5 CO 0.19 0.15 1.14 -0.51 -0.54 0.00 0.00 174.62 175.05 1nd9 s ILE 6 N 1.73 2.81 0.00 2.99 1.10 -0.93 -2.91 121.20 126.00 1nd9 s ILE 6 Ca 0.27 0.35 0.00 0.00 -0.51 0.00 0.00 60.65 60.77 1nd9 s ILE 6 Cb -0.16 -2.83 0.00 0.00 0.15 0.00 0.00 42.46 39.63 1nd9 s ILE 6 CO 0.10 -0.26 0.00 1.17 -2.11 0.00 0.00 174.94 173.85 1nd9 n LYS 7 N -2.89 0.00 -0.24 3.50 3.00 -1.26 -2.45 118.16 117.81 1nd9 n LYS 7 Ca 0.11 0.00 0.04 0.00 -0.00 0.00 0.00 58.31 58.46 1nd9 n LYS 7 Cb 0.52 0.00 0.16 0.00 0.00 0.00 0.00 35.03 35.71 1nd9 n LYS 7 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.40 179.19 1nd9 h THR 8 N 0.00 0.71 -0.13 3.15 1.35 -1.98 1.16 112.91 117.18 1nd9 h THR 8 Ca 0.00 -0.16 -0.07 0.00 -0.55 0.00 0.00 66.41 65.63 1nd9 h THR 8 Cb 0.00 0.21 -0.00 0.00 -1.73 0.00 0.00 68.15 66.63 1nd9 h THR 8 CO 0.00 0.08 -0.20 0.25 -0.25 0.00 0.00 175.52 175.40 1nd9 h LEU 9 N 0.46 0.40 -0.71 3.87 7.12 -1.75 -1.53 115.31 123.17 1nd9 h LEU 9 Ca 0.38 -0.53 0.15 0.00 0.13 0.00 0.00 57.88 58.01 1nd9 h LEU 9 Cb 0.53 -0.11 -0.13 0.00 -0.53 0.00 0.00 40.66 40.42 1nd9 h LEU 9 CO -0.36 0.85 -0.14 0.00 -0.13 0.00 0.00 178.44 178.66 1nd9 h ALA 10 N 0.56 0.52 -0.08 1.25 0.00 -0.68 0.13 119.26 120.95 1nd9 h ALA 10 Ca 0.01 0.27 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 1nd9 h ALA 10 Cb 0.77 0.51 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 1nd9 h ALA 10 CO 0.05 -0.42 0.01 0.00 0.00 0.00 0.00 179.25 178.89 1nd9 h ALA 11 N 1.70 0.11 -0.60 0.00 0.00 0.12 -2.03 119.26 118.57 1nd9 h ALA 11 Ca 0.35 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 55.17 1nd9 h ALA 11 Cb 0.55 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.23 1nd9 h ALA 11 CO -0.71 -0.23 -0.31 0.39 0.00 0.00 0.00 179.25 178.39 1nd9 n GLU 12 N -4.86 -0.22 -0.02 0.00 -0.58 0.43 0.72 120.64 116.10 1nd9 n GLU 12 Ca -0.06 0.91 -0.13 0.00 -0.42 0.00 0.00 57.16 57.46 1nd9 n GLU 12 Cb 0.18 -1.34 -0.09 0.00 -0.57 0.00 0.00 31.44 29.63 1nd9 n GLU 12 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1nd9 h ARG 13 N 0.00 0.11 0.00 3.49 -0.00 -1.55 -3.47 114.38 112.97 1nd9 h ARG 13 Ca 0.13 -0.05 0.00 0.00 -0.50 0.00 0.00 59.98 59.56 1nd9 h ARG 13 Cb 0.28 -0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.25 1nd9 h ARG 13 CO -0.57 0.50 0.00 0.94 0.00 0.00 0.00 179.97 180.84 1nd9 n GLN 14 N -4.80 0.00 -0.35 0.04 -0.06 0.22 -4.43 117.38 108.00 1nd9 n GLN 14 Ca -0.07 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.93 1nd9 n GLN 14 Cb 0.25 0.00 0.01 0.00 -4.06 0.00 0.00 30.24 26.43 1nd9 n GLN 14 CO 0.00 0.00 0.00 0.25 -0.20 0.00 0.00 177.06 177.11 1nd9 n THR 15 N 0.00 0.09 0.00 1.69 -2.24 -1.26 -4.86 114.28 107.70 1nd9 n THR 15 Ca 0.00 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 1nd9 n THR 15 Cb 0.00 0.60 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 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 -0.07 0.00 -0.04 3.42 7.64 -1.26 -4.81 113.62 118.49 1nd9 n SER 16 Ca 0.01 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.81 1nd9 n SER 16 Cb 0.64 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.82 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 0.61 -0.37 0.44 3.04 -1.86 0.95 116.25 119.06 1nd9 h VAL 17 Ca 0.00 0.00 0.08 0.00 -1.01 0.00 0.00 66.70 65.77 1nd9 h VAL 17 Cb 0.00 0.61 -0.09 0.00 -2.01 0.00 0.00 31.29 29.80 1nd9 h VAL 17 CO 0.00 0.00 -0.32 -0.08 -1.01 0.00 0.00 177.57 176.16 1nd9 h GLU 18 N -0.11 -0.25 -0.65 4.17 4.81 -1.60 0.62 114.58 121.56 1nd9 h GLU 18 Ca 0.13 0.02 0.12 0.00 -0.13 0.00 0.00 59.36 59.50 1nd9 h GLU 18 Cb 0.30 0.06 -0.09 0.00 0.63 0.00 0.00 28.75 29.65 1nd9 h GLU 18 CO -0.30 -0.17 0.17 -0.09 -0.73 0.00 0.00 179.01 177.90 1nd9 h ARG 19 N -0.26 0.30 -0.36 1.92 9.65 -1.68 -1.35 114.38 122.60 1nd9 h ARG 19 Ca 0.17 -0.02 0.06 0.00 -1.10 0.00 0.00 59.98 59.09 1nd9 h ARG 19 Cb 0.54 -0.07 -0.06 0.00 -1.39 0.00 0.00 29.97 28.99 1nd9 h ARG 19 CO -0.52 0.20 -0.00 1.37 2.80 0.00 0.00 179.97 183.81 1nd9 h LEU 20 N 0.31 -0.16 -0.65 3.80 8.10 0.62 -2.27 115.31 125.07 1nd9 h LEU 20 Ca 0.35 0.08 0.13 0.00 0.11 0.00 0.00 57.88 58.56 1nd9 h LEU 20 Cb 0.53 0.15 -0.10 0.00 -0.44 0.00 0.00 40.66 40.79 1nd9 h LEU 20 CO -0.41 -0.04 0.07 1.62 -4.11 0.00 0.00 178.44 175.56 1nd9 h VAL 21 N 0.09 0.52 0.00 0.15 3.04 0.59 0.13 116.25 120.77 1nd9 h VAL 21 Ca 0.18 -0.06 0.00 0.00 -1.01 0.00 0.00 66.70 65.80 1nd9 h VAL 21 Cb 0.24 0.33 0.00 0.00 -2.01 0.00 0.00 31.29 29.85 1nd9 h VAL 21 CO -0.30 0.03 0.00 0.00 -1.01 0.00 0.00 177.57 176.29 1nd9 n GLN 22 N -5.23 0.00 -0.19 4.17 10.64 -0.87 -1.18 117.38 124.72 1nd9 n GLN 22 Ca 0.10 0.49 -0.00 0.00 -1.83 0.00 0.00 57.00 55.76 1nd9 n GLN 22 Cb 0.38 -1.41 0.08 0.00 -0.86 0.00 0.00 30.24 28.43 1nd9 n GLN 22 CO 0.00 0.00 0.00 1.96 -1.83 0.00 0.00 177.06 177.19 1nd9 h GLN 23 N 0.00 0.07 -0.72 2.61 1.08 -1.49 -1.08 115.11 115.58 1nd9 h GLN 23 Ca 0.00 -0.00 0.12 0.00 -1.45 0.00 0.00 58.65 57.32 1nd9 h GLN 23 Cb 0.00 -0.02 -0.08 0.00 -0.05 0.00 0.00 27.48 27.33 1nd9 h GLN 23 CO 0.00 0.05 0.30 0.74 -0.95 0.00 0.00 178.83 178.97 1nd9 h PHE 24 N 0.07 0.52 -0.82 2.96 -1.00 -0.80 0.39 116.94 118.28 1nd9 h PHE 24 Ca 0.30 0.03 0.20 0.00 2.81 0.00 0.00 57.97 61.31 1nd9 h PHE 24 Cb 0.47 -0.12 -0.14 0.00 3.61 0.00 0.00 35.95 39.77 1nd9 h PHE 24 CO -0.40 0.11 0.07 0.00 -1.61 0.00 0.00 178.31 176.49 1nd9 h ALA 25 N 1.50 0.95 -0.09 2.45 0.00 0.21 2.26 119.26 126.53 1nd9 h ALA 25 Ca 0.38 0.25 -0.00 0.00 0.00 0.00 0.00 54.91 55.53 1nd9 h ALA 25 Cb 0.52 0.41 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 1nd9 h ALA 25 CO -0.35 -0.44 0.05 0.22 0.00 0.00 0.00 179.25 178.72 1nd9 h ASP 26 N 0.12 0.12 0.00 0.00 3.58 -0.30 -3.31 116.42 116.63 1nd9 h ASP 26 Ca 0.47 -0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.81 1nd9 h ASP 26 Cb 0.88 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.89 1nd9 h ASP 26 CO -0.69 0.20 0.00 0.00 -2.88 0.00 0.00 179.24 175.87 1nd9 n ALA 27 N -2.18 -0.01 0.00 -0.78 0.00 0.74 -4.90 120.51 113.39 1nd9 n ALA 27 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1nd9 n ALA 27 Cb 0.08 0.31 0.00 0.00 0.00 0.00 0.00 19.45 19.84 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 -0.98 -0.16 4.01 0.00 0.00 0.31 -5.05 105.19 103.31 1nd9 n GLY 28 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1nd9 n GLY 28 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1nd9 s ILE 29 N 0.00 1.91 -0.01 -0.61 -4.36 -1.24 -5.05 121.20 111.85 1nd9 s ILE 29 Ca 0.00 -1.12 -0.30 0.00 -0.26 0.00 0.00 60.65 58.97 1nd9 s ILE 29 Cb 0.00 -2.04 -0.06 0.00 1.25 0.00 0.00 42.46 41.62 1nd9 s ILE 29 CO 0.00 0.00 1.48 -0.13 0.24 0.00 0.00 174.94 176.53 1nd9 s ARG 30 N -4.61 4.25 -0.12 0.37 0.52 -1.26 -4.57 118.95 113.52 1nd9 s ARG 30 Ca 0.55 2.04 0.01 0.00 -0.52 0.00 0.00 55.73 57.81 1nd9 s ARG 30 Cb -0.05 -3.67 0.02 0.00 0.52 0.00 0.00 34.95 31.78 1nd9 s ARG 30 CO 0.35 -0.66 -0.14 -1.59 0.02 0.00 0.00 175.30 173.28 1nd9 s LYS 31 N 2.82 2.13 0.33 3.54 0.00 -1.24 -3.28 119.74 124.03 1nd9 s LYS 31 Ca 0.66 -0.51 -0.04 0.00 0.00 0.00 0.00 55.97 56.08 1nd9 s LYS 31 Cb -0.32 -1.89 0.00 0.00 0.00 0.00 0.00 37.83 35.62 1nd9 s LYS 31 CO 0.27 -0.14 0.48 -1.12 0.00 0.00 0.00 175.35 174.84 1nd9 s SER 32 N 1.22 0.75 -0.52 0.03 0.01 -1.26 -4.94 113.70 108.98 1nd9 s SER 32 Ca -0.02 -1.41 0.03 0.00 1.31 0.00 0.00 55.95 55.86 1nd9 s SER 32 Cb -0.14 0.66 0.13 0.00 0.21 0.00 0.00 66.02 66.88 1nd9 s SER 32 CO -0.05 -1.29 0.28 0.00 0.41 0.00 0.00 173.24 172.59 1nd9 s ALA 33 N -3.15 3.33 -0.44 1.44 0.00 -1.26 -4.73 121.76 116.94 1nd9 s ALA 33 Ca 0.29 -3.21 -0.01 0.00 0.00 0.00 0.00 51.96 49.03 1nd9 s ALA 33 Cb -0.00 -2.24 -0.01 0.00 0.00 0.00 0.00 23.12 20.87 1nd9 s ALA 33 CO 0.18 -2.01 0.41 -3.47 0.00 0.00 0.00 175.76 170.87 1nd9 n ASP 34 N 3.27 -4.95 0.00 0.00 -0.08 -1.20 -4.98 116.55 108.61 1nd9 n ASP 34 Ca 0.05 -0.13 0.00 0.00 -1.51 0.00 0.00 54.79 53.20 1nd9 n ASP 34 Cb 0.34 -3.24 0.00 0.00 2.34 0.00 0.00 41.12 40.56 1nd9 n ASP 34 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1nd9 n ASP 35 N -1.69 0.00 -3.95 1.67 -0.08 -1.03 -4.96 116.55 106.51 1nd9 n ASP 35 Ca -0.01 0.00 -0.28 0.00 -1.51 0.00 0.00 54.79 52.99 1nd9 n ASP 35 Cb 0.52 0.00 -0.17 0.00 2.34 0.00 0.00 41.12 43.81 1nd9 n ASP 35 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 1nd9 s SER 36 N 2.00 2.29 0.30 1.67 0.01 -1.26 -2.18 113.70 116.52 1nd9 s SER 36 Ca 0.00 -0.36 -0.02 0.00 1.31 0.00 0.00 55.95 56.89 1nd9 s SER 36 Cb 0.00 -0.94 -0.01 0.00 0.21 0.00 0.00 66.02 65.28 1nd9 s SER 36 CO 0.00 -0.08 0.36 -0.69 0.41 0.00 0.00 173.24 173.24 1nd9 s VAL 37 N 1.52 0.00 -0.25 3.43 1.01 -1.07 -3.66 120.40 121.38 1nd9 s VAL 37 Ca 0.03 -1.74 -0.11 0.00 0.00 0.00 0.00 61.98 60.16 1nd9 s VAL 37 Cb -0.13 -2.52 -0.05 0.00 0.00 0.00 0.00 36.38 33.69 1nd9 s VAL 37 CO -0.07 0.00 0.19 -0.55 0.00 0.00 0.00 175.10 174.66 1nd9 s SER 38 N -3.22 6.12 0.39 3.32 0.15 -1.21 -2.58 113.70 116.67 1nd9 s SER 38 Ca 0.33 0.11 -0.10 0.00 0.70 0.00 0.00 55.95 56.99 1nd9 s SER 38 Cb 0.02 -2.12 -0.06 0.00 -1.71 0.00 0.00 66.02 62.14 1nd9 s SER 38 CO 0.18 0.02 0.74 0.00 1.20 0.00 0.00 173.24 175.39 1nd9 s ALA 39 N 1.28 3.38 0.00 5.45 0.00 -0.80 -3.76 121.76 127.30 1nd9 s ALA 39 Ca 0.08 -0.24 0.00 0.00 0.00 0.00 0.00 51.96 51.81 1nd9 s ALA 39 Cb -0.14 -2.66 0.00 0.00 0.00 0.00 0.00 23.12 20.32 1nd9 s ALA 39 CO 0.06 0.03 0.00 0.94 0.00 0.00 0.00 175.76 176.79 1nd9 n GLN 40 N -1.23 -0.41 0.21 0.00 7.27 -1.26 -4.07 117.38 117.89 1nd9 n GLN 40 Ca 0.02 0.10 0.15 0.00 0.07 0.00 0.00 57.00 57.34 1nd9 n GLN 40 Cb 0.54 -3.54 0.55 0.00 2.41 0.00 0.00 30.24 30.21 1nd9 n GLN 40 CO 0.00 0.00 0.00 1.49 0.07 0.00 0.00 177.06 178.62 1nd9 h GLU 41 N 1.19 0.00 -0.76 3.69 4.57 -1.91 -3.30 114.58 118.07 1nd9 h GLU 41 Ca 0.00 0.00 0.27 0.00 -1.18 0.00 0.00 59.36 58.45 1nd9 h GLU 41 Cb 0.20 0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 28.71 1nd9 h GLU 41 CO 0.00 0.00 0.47 0.36 -1.18 0.00 0.00 179.01 178.66 1nd9 n LYS 42 N -2.73 -0.02 -0.29 1.92 -0.00 -1.26 0.10 118.16 115.88 1nd9 n LYS 42 Ca 0.02 0.73 0.12 0.00 -0.00 0.00 0.00 58.31 59.18 1nd9 n LYS 42 Cb 0.31 -1.42 0.27 0.00 -0.00 0.00 0.00 35.03 34.19 1nd9 n LYS 42 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 1nd9 h GLN 43 N 0.00 0.19 -0.52 -1.58 4.20 -1.96 0.52 115.11 115.96 1nd9 h GLN 43 Ca 0.50 -0.01 -0.11 0.00 0.06 0.00 0.00 58.65 59.09 1nd9 h GLN 43 Cb 1.57 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 29.29 1nd9 h GLN 43 CO -0.30 0.13 -0.10 1.15 -0.67 0.00 0.00 178.83 179.04 1nd9 h THR 44 N 0.20 1.27 -0.80 -0.54 2.02 0.36 -3.09 112.91 112.33 1nd9 h THR 44 Ca 0.53 -1.24 0.17 0.00 0.77 0.00 0.00 66.41 66.64 1nd9 h THR 44 Cb 1.06 1.01 -0.15 0.00 -1.74 0.00 0.00 68.15 68.33 1nd9 h THR 44 CO -0.65 0.44 -0.11 0.25 0.37 0.00 0.00 175.52 175.82 1nd9 h LEU 45 N 0.84 -0.58 -0.67 2.58 6.46 -0.02 3.37 115.31 127.30 1nd9 h LEU 45 Ca 0.13 0.23 0.14 0.00 -0.12 0.00 0.00 57.88 58.26 1nd9 h LEU 45 Cb 0.66 0.44 -0.10 0.00 -0.73 0.00 0.00 40.66 40.93 1nd9 h LEU 45 CO 0.05 -0.24 0.11 0.40 -0.62 0.00 0.00 178.44 178.14 1nd9 h ILE 46 N 0.04 0.53 -0.58 4.05 2.04 -1.41 0.13 117.51 122.30 1nd9 h ILE 46 Ca 0.41 -0.08 0.12 0.00 1.00 0.00 0.00 64.86 66.32 1nd9 h ILE 46 Cb 0.69 0.29 -0.11 0.00 -0.74 0.00 0.00 36.82 36.96 1nd9 h ILE 46 CO -0.77 0.04 -0.08 -0.78 0.00 0.00 0.00 178.15 176.56 1nd9 h ASP 47 N 0.22 -0.41 -0.58 1.72 1.82 0.62 -0.62 116.42 119.19 1nd9 h ASP 47 Ca 0.37 0.16 0.12 0.00 -0.39 0.00 0.00 57.03 57.28 1nd9 h ASP 47 Cb 0.60 0.31 -0.11 0.00 0.68 0.00 0.00 39.33 40.81 1nd9 h ASP 47 CO -0.49 -0.15 -0.10 0.45 -1.61 0.00 0.00 179.24 177.33 1nd9 h HIS 48 N 0.05 -0.22 0.00 0.28 3.86 0.13 -2.79 115.15 116.46 1nd9 h HIS 48 Ca 0.29 0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.55 1nd9 h HIS 48 Cb 0.46 0.19 -0.00 0.00 1.06 0.00 0.00 27.41 29.12 1nd9 h HIS 48 CO -0.42 -0.22 -0.00 1.25 0.86 0.00 0.00 177.93 179.40 1nd9 h LEU 49 N 0.03 -0.00 0.00 2.43 5.85 -0.86 -3.52 115.31 119.24 1nd9 h LEU 49 Ca 0.29 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.01 1nd9 h LEU 49 Cb 0.45 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.48 1nd9 h LEU 49 CO -0.57 -0.00 0.00 0.59 -0.34 0.00 0.00 178.44 178.12