#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 6.48 0.22 1.09 1.11 -1.26 -2.12 116.67 122.19 1nd9 s ASP 3 Ca 0.00 0.58 -0.02 0.00 0.18 0.00 0.00 52.55 53.28 1nd9 s ASP 3 Cb 0.00 -2.26 -0.03 0.00 1.07 0.00 0.00 42.92 41.70 1nd9 s ASP 3 CO 0.00 -0.13 0.19 0.54 1.18 0.00 0.00 175.17 176.95 1nd9 s VAL 4 N 1.49 0.00 -0.04 -1.27 0.11 -0.87 -4.90 120.40 114.92 1nd9 s VAL 4 Ca 0.21 -1.91 -0.30 0.00 -2.93 0.00 0.00 61.98 57.05 1nd9 s VAL 4 Cb -0.15 -2.46 -0.04 0.00 -1.53 0.00 0.00 36.38 32.20 1nd9 s VAL 4 CO 0.09 0.00 1.30 0.42 -3.33 0.00 0.00 175.10 173.58 1nd9 s THR 5 N -4.09 4.02 0.63 5.04 -4.23 -1.26 -2.56 115.64 113.20 1nd9 s THR 5 Ca 0.37 1.36 -0.01 0.00 -1.18 0.00 0.00 61.69 62.22 1nd9 s THR 5 Cb 0.06 -3.87 0.13 0.00 1.34 0.00 0.00 72.50 70.15 1nd9 s THR 5 CO 0.13 -0.02 0.86 2.30 -0.54 0.00 0.00 174.62 177.35 1nd9 n ILE 6 N 4.74 0.00 0.00 2.99 -6.64 -0.69 -4.16 119.36 115.60 1nd9 n ILE 6 Ca 0.12 -1.28 0.00 0.00 -1.77 0.00 0.00 62.75 59.83 1nd9 n ILE 6 Cb 0.45 -1.02 0.00 0.00 -1.44 0.00 0.00 39.64 37.62 1nd9 n ILE 6 CO 0.00 0.00 0.00 1.17 -1.77 0.00 0.00 176.55 175.95 1nd9 n LYS 7 N -2.62 0.00 -0.30 6.28 0.00 -1.26 -2.88 118.16 117.38 1nd9 n LYS 7 Ca 0.14 0.00 -0.05 0.00 0.00 0.00 0.00 58.31 58.40 1nd9 n LYS 7 Cb 0.49 0.00 0.07 0.00 0.00 0.00 0.00 35.03 35.60 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 1.26 -0.20 3.15 1.35 -1.98 -0.25 112.91 116.25 1nd9 h THR 8 Ca 0.00 -0.78 -0.10 0.00 -0.55 0.00 0.00 66.41 64.98 1nd9 h THR 8 Cb 0.00 0.23 -0.00 0.00 -1.73 0.00 0.00 68.15 66.65 1nd9 h THR 8 CO 0.00 0.33 -0.28 0.25 -0.25 0.00 0.00 175.52 175.57 1nd9 h LEU 9 N 1.20 0.59 -0.75 3.87 7.12 -1.76 -2.40 115.31 123.17 1nd9 h LEU 9 Ca 0.28 -0.51 0.15 0.00 0.13 0.00 0.00 57.88 57.93 1nd9 h LEU 9 Cb 0.16 -0.17 -0.14 0.00 -0.53 0.00 0.00 40.66 39.99 1nd9 h LEU 9 CO -0.03 0.99 -0.19 0.00 -0.13 0.00 0.00 178.44 179.07 1nd9 h ALA 10 N 0.62 0.48 -0.09 1.25 0.00 -1.47 0.29 119.26 120.34 1nd9 h ALA 10 Ca 0.02 0.29 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 1nd9 h ALA 10 Cb 0.85 0.58 -0.00 0.00 0.00 0.00 0.00 17.79 19.22 1nd9 h ALA 10 CO 0.07 -0.42 -0.01 0.00 0.00 0.00 0.00 179.25 178.89 1nd9 h ALA 11 N 1.73 0.12 -0.41 0.00 0.00 -1.11 0.28 119.26 119.88 1nd9 h ALA 11 Ca 0.36 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 55.11 1nd9 h ALA 11 Cb 0.55 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 1nd9 h ALA 11 CO -0.77 -0.17 -0.22 -1.91 0.00 0.00 0.00 179.25 176.17 1nd9 n GLU 12 N -4.81 -0.16 -0.03 0.00 2.13 0.10 0.11 120.64 117.98 1nd9 n GLU 12 Ca -0.06 0.61 -0.11 0.00 0.66 0.00 0.00 57.16 58.26 1nd9 n GLU 12 Cb 0.21 -0.90 -0.06 0.00 0.27 0.00 0.00 31.44 30.96 1nd9 n GLU 12 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 1nd9 h ARG 13 N 0.00 0.20 -1.99 5.31 9.65 -1.58 -3.49 114.38 122.48 1nd9 h ARG 13 Ca 0.08 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.91 1nd9 h ARG 13 Cb 0.18 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 28.73 1nd9 h ARG 13 CO -0.39 0.35 0.00 0.94 2.80 0.00 0.00 179.97 183.68 1nd9 n GLN 14 N -4.86 0.00 -1.16 0.20 7.27 0.31 -4.63 117.38 114.52 1nd9 n GLN 14 Ca -0.05 0.44 -0.05 0.00 0.07 0.00 0.00 57.00 57.40 1nd9 n GLN 14 Cb 0.15 -0.56 -0.02 0.00 2.41 0.00 0.00 30.24 32.22 1nd9 n GLN 14 CO 0.00 0.00 0.00 2.41 0.07 0.00 0.00 177.06 179.54 1nd9 n THR 15 N 0.30 0.00 0.00 1.69 -1.04 -1.26 -4.83 114.28 109.14 1nd9 n THR 15 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1nd9 n THR 15 Cb 0.00 -0.99 0.00 0.00 -1.82 0.00 0.00 70.33 67.52 1nd9 n THR 15 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1nd9 n SER 16 N -0.49 0.00 -0.12 8.00 7.64 -1.26 -4.77 113.62 122.61 1nd9 n SER 16 Ca -0.05 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.78 1nd9 n SER 16 Cb 0.38 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.61 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 0.67 -0.07 0.44 3.04 -1.88 0.99 116.25 119.44 1nd9 h VAL 17 Ca 0.00 -0.03 0.02 0.00 -1.01 0.00 0.00 66.70 65.69 1nd9 h VAL 17 Cb 0.00 0.58 -0.06 0.00 -2.01 0.00 0.00 31.29 29.80 1nd9 h VAL 17 CO 0.00 0.02 -0.53 -0.08 -1.01 0.00 0.00 177.57 175.97 1nd9 h GLU 18 N 0.08 -0.59 -0.65 4.17 4.81 -0.69 0.22 114.58 121.93 1nd9 h GLU 18 Ca 0.20 0.04 0.13 0.00 -0.13 0.00 0.00 59.36 59.60 1nd9 h GLU 18 Cb 0.29 0.13 -0.09 0.00 0.63 0.00 0.00 28.75 29.72 1nd9 h GLU 18 CO -0.36 -0.39 0.15 0.00 -0.73 0.00 0.00 179.01 177.68 1nd9 h ARG 19 N -0.61 0.26 -0.61 1.92 2.47 -1.71 0.15 114.38 116.25 1nd9 h ARG 19 Ca 0.02 -0.02 0.13 0.00 -1.26 0.00 0.00 59.98 58.85 1nd9 h ARG 19 Cb 0.69 -0.06 -0.10 0.00 -1.65 0.00 0.00 29.97 28.85 1nd9 h ARG 19 CO -0.39 0.17 0.04 1.37 0.56 0.00 0.00 179.97 181.72 1nd9 h LEU 20 N 0.27 -0.20 -0.57 3.04 8.10 0.31 -1.01 115.31 125.26 1nd9 h LEU 20 Ca 0.35 0.14 0.12 0.00 0.11 0.00 0.00 57.88 58.60 1nd9 h LEU 20 Cb 0.54 0.24 -0.10 0.00 -0.44 0.00 0.00 40.66 40.90 1nd9 h LEU 20 CO -0.44 -0.08 -0.08 0.58 -4.11 0.00 0.00 178.44 174.30 1nd9 h VAL 21 N 0.15 0.47 0.00 0.15 2.07 0.14 0.13 116.25 119.37 1nd9 h VAL 21 Ca 0.32 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.83 1nd9 h VAL 21 Cb 0.52 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1nd9 h VAL 21 CO -0.49 0.01 0.00 0.00 0.02 0.00 0.00 177.57 177.10 1nd9 n GLN 22 N -5.34 0.00 -0.21 1.57 6.02 -0.41 -1.61 117.38 117.40 1nd9 n GLN 22 Ca 0.07 0.46 0.01 0.00 -0.01 0.00 0.00 57.00 57.53 1nd9 n GLN 22 Cb 0.31 -1.39 0.10 0.00 1.02 0.00 0.00 30.24 30.28 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 0.10 -0.75 -1.09 7.50 -1.49 -0.17 115.11 119.21 1nd9 h GLN 23 Ca 0.00 -0.01 0.14 0.00 0.50 0.00 0.00 58.65 59.28 1nd9 h GLN 23 Cb 0.00 -0.02 -0.09 0.00 0.05 0.00 0.00 27.48 27.42 1nd9 h GLN 23 CO 0.00 0.07 0.30 0.74 -1.50 0.00 0.00 178.83 178.44 1nd9 h PHE 24 N 0.11 0.52 -0.82 2.96 -1.00 -0.81 0.67 116.94 118.57 1nd9 h PHE 24 Ca 0.33 0.04 0.20 0.00 2.81 0.00 0.00 57.97 61.34 1nd9 h PHE 24 Cb 0.54 -0.12 -0.14 0.00 3.61 0.00 0.00 35.95 39.84 1nd9 h PHE 24 CO -0.38 0.08 0.05 0.00 -1.61 0.00 0.00 178.31 176.45 1nd9 h ALA 25 N 1.53 0.93 -0.07 2.45 0.00 -0.03 1.42 119.26 125.49 1nd9 h ALA 25 Ca 0.40 0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.56 1nd9 h ALA 25 Cb 0.59 0.42 -0.00 0.00 0.00 0.00 0.00 17.79 18.81 1nd9 h ALA 25 CO -0.39 -0.45 0.01 -0.44 0.00 0.00 0.00 179.25 177.98 1nd9 h ASP 26 N 0.11 0.12 0.00 0.00 3.32 0.13 -3.33 116.42 116.77 1nd9 h ASP 26 Ca 0.47 -0.29 0.00 0.00 0.02 0.00 0.00 57.03 57.23 1nd9 h ASP 26 Cb 0.86 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.38 1nd9 h ASP 26 CO -0.70 0.38 0.00 0.00 -1.72 0.00 0.00 179.24 177.20 1nd9 n ALA 27 N -2.27 -0.02 0.00 3.45 0.00 0.45 -4.88 120.51 117.25 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 0.18 0.41 0.00 0.00 0.00 0.00 0.00 19.45 20.04 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 -0.99 0.00 3.62 0.00 0.00 0.81 -5.05 105.19 103.59 1nd9 n GLY 28 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1nd9 n GLY 28 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nd9 s ILE 29 N 0.00 0.85 0.01 -0.61 1.09 -1.20 -5.07 121.20 116.26 1nd9 s ILE 29 Ca 0.00 -2.00 -0.30 0.00 -1.10 0.00 0.00 60.65 57.25 1nd9 s ILE 29 Cb 0.00 -2.27 -0.06 0.00 -1.06 0.00 0.00 42.46 39.07 1nd9 s ILE 29 CO 0.00 0.00 1.47 -0.13 -0.10 0.00 0.00 174.94 176.18 1nd9 s ARG 30 N -3.78 4.26 -0.12 2.79 3.00 -1.26 -4.50 118.95 119.34 1nd9 s ARG 30 Ca 0.16 2.05 0.01 0.00 0.00 0.00 0.00 55.73 57.95 1nd9 s ARG 30 Cb 0.02 -3.61 0.02 0.00 0.00 0.00 0.00 34.95 31.37 1nd9 s ARG 30 CO 0.10 -0.63 -0.15 -1.59 0.00 0.00 0.00 175.30 173.02 1nd9 s LYS 31 N 2.60 2.28 0.33 3.54 0.00 -1.25 -3.36 119.74 123.88 1nd9 s LYS 31 Ca 0.66 -0.58 -0.03 0.00 0.00 0.00 0.00 55.97 56.02 1nd9 s LYS 31 Cb -0.33 -1.97 0.00 0.00 0.00 0.00 0.00 37.83 35.53 1nd9 s LYS 31 CO 0.27 -0.10 0.47 -1.12 0.00 0.00 0.00 175.35 174.87 1nd9 s SER 32 N 1.08 0.82 -0.49 0.03 0.01 -1.26 -4.93 113.70 108.96 1nd9 s SER 32 Ca -0.04 -1.44 0.03 0.00 1.31 0.00 0.00 55.95 55.81 1nd9 s SER 32 Cb -0.14 0.65 0.15 0.00 0.21 0.00 0.00 66.02 66.89 1nd9 s SER 32 CO -0.04 -1.28 0.32 0.00 0.41 0.00 0.00 173.24 172.66 1nd9 s ALA 33 N -3.15 2.38 -0.05 1.44 0.00 -1.26 -4.80 121.76 116.32 1nd9 s ALA 33 Ca 0.30 -2.85 -0.00 0.00 0.00 0.00 0.00 51.96 49.41 1nd9 s ALA 33 Cb -0.00 -1.89 -0.00 0.00 0.00 0.00 0.00 23.12 21.23 1nd9 s ALA 33 CO 0.19 -2.05 0.05 -3.47 0.00 0.00 0.00 175.76 170.48 1nd9 n ASP 34 N 3.03 -2.33 0.00 0.00 2.03 -1.24 -5.01 116.55 113.02 1nd9 n ASP 34 Ca 0.16 -0.02 0.00 0.00 0.52 0.00 0.00 54.79 55.45 1nd9 n ASP 34 Cb 0.37 -1.10 0.00 0.00 -0.72 0.00 0.00 41.12 39.67 1nd9 n ASP 34 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1nd9 n ASP 35 N -1.24 0.00 -4.07 1.67 -0.08 -1.14 -5.00 116.55 106.69 1nd9 n ASP 35 Ca -0.00 0.00 -0.30 0.00 -1.51 0.00 0.00 54.79 52.98 1nd9 n ASP 35 Cb 0.50 0.00 -0.16 0.00 2.34 0.00 0.00 41.12 43.80 1nd9 n ASP 35 CO 0.00 0.00 0.00 -0.94 0.12 0.00 0.00 177.20 176.38 1nd9 s SER 36 N 2.00 2.73 0.30 1.67 1.04 -1.26 -1.70 113.70 118.47 1nd9 s SER 36 Ca 0.00 -0.51 -0.02 0.00 0.48 0.00 0.00 55.95 55.91 1nd9 s SER 36 Cb 0.00 -1.23 -0.01 0.00 0.10 0.00 0.00 66.02 64.88 1nd9 s SER 36 CO 0.00 0.00 0.37 -0.69 0.98 0.00 0.00 173.24 173.90 1nd9 s VAL 37 N 1.14 0.00 -0.23 5.02 1.01 -1.06 -3.91 120.40 122.38 1nd9 s VAL 37 Ca -0.02 -1.73 -0.14 0.00 0.00 0.00 0.00 61.98 60.09 1nd9 s VAL 37 Cb -0.14 -2.52 -0.04 0.00 0.00 0.00 0.00 36.38 33.68 1nd9 s VAL 37 CO -0.06 0.00 0.33 -0.94 0.00 0.00 0.00 175.10 174.43 1nd9 s SER 38 N -3.22 6.31 0.38 3.32 1.04 -1.21 -2.06 113.70 118.26 1nd9 s SER 38 Ca 0.33 0.36 -0.09 0.00 0.48 0.00 0.00 55.95 57.03 1nd9 s SER 38 Cb 0.02 -2.19 -0.06 0.00 0.10 0.00 0.00 66.02 63.88 1nd9 s SER 38 CO 0.19 -0.06 0.71 0.00 0.98 0.00 0.00 173.24 175.06 1nd9 s ALA 39 N 1.39 3.42 0.00 5.32 0.00 -0.90 -3.74 121.76 127.25 1nd9 s ALA 39 Ca 0.15 -0.31 0.00 0.00 0.00 0.00 0.00 51.96 51.80 1nd9 s ALA 39 Cb -0.15 -2.59 0.00 0.00 0.00 0.00 0.00 23.12 20.38 1nd9 s ALA 39 CO 0.07 0.05 0.00 0.94 0.00 0.00 0.00 175.76 176.82 1nd9 n GLN 40 N -1.23 -0.22 0.11 0.00 0.00 -1.26 -3.84 117.38 110.93 1nd9 n GLN 40 Ca 0.01 0.05 0.11 0.00 -0.00 0.00 0.00 57.00 57.18 1nd9 n GLN 40 Cb 0.54 -3.47 0.46 0.00 0.00 0.00 0.00 30.24 27.76 1nd9 n GLN 40 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 1nd9 n GLU 41 N -1.82 0.16 -0.33 3.69 4.07 -1.25 -3.59 120.64 121.57 1nd9 n GLU 41 Ca 0.00 0.38 0.28 0.00 -0.06 0.00 0.00 57.16 57.76 1nd9 n GLU 41 Cb 0.05 -1.80 0.47 0.00 -0.06 0.00 0.00 31.44 30.10 1nd9 n GLU 41 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 1nd9 n LYS 42 N -2.10 -0.02 -0.29 5.31 0.00 -1.26 0.88 118.16 120.67 1nd9 n LYS 42 Ca 0.02 0.84 0.11 0.00 0.00 0.00 0.00 58.31 59.29 1nd9 n LYS 42 Cb 0.22 -1.68 0.25 0.00 0.00 0.00 0.00 35.03 33.83 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 0.14 -0.34 1.64 1.08 -1.96 0.66 115.11 116.33 1nd9 h GLN 43 Ca 0.60 -0.01 -0.16 0.00 -1.45 0.00 0.00 58.65 57.63 1nd9 h GLN 43 Cb 1.97 -0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 29.36 1nd9 h GLN 43 CO -0.29 0.09 -0.40 1.15 -0.95 0.00 0.00 178.83 178.43 1nd9 h THR 44 N 0.14 1.28 -0.79 -0.54 2.02 0.16 -3.16 112.91 112.03 1nd9 h THR 44 Ca 0.52 -1.58 0.17 0.00 0.77 0.00 0.00 66.41 66.29 1nd9 h THR 44 Cb 1.02 1.49 -0.15 0.00 -1.74 0.00 0.00 68.15 68.78 1nd9 h THR 44 CO -0.70 0.52 -0.14 0.25 0.37 0.00 0.00 175.52 175.81 1nd9 h LEU 45 N 0.66 -0.64 -0.67 2.58 6.46 0.30 3.07 115.31 127.08 1nd9 h LEU 45 Ca 0.05 0.23 0.13 0.00 -0.12 0.00 0.00 57.88 58.17 1nd9 h LEU 45 Cb 1.00 0.46 -0.10 0.00 -0.73 0.00 0.00 40.66 41.29 1nd9 h LEU 45 CO 0.10 -0.25 0.16 -0.29 -0.62 0.00 0.00 178.44 177.54 1nd9 h ILE 46 N 0.02 0.60 -0.58 4.05 2.10 -1.33 0.46 117.51 122.82 1nd9 h ILE 46 Ca 0.39 -0.10 0.12 0.00 1.08 0.00 0.00 64.86 66.36 1nd9 h ILE 46 Cb 0.64 0.29 -0.11 0.00 -1.09 0.00 0.00 36.82 36.55 1nd9 h ILE 46 CO -0.78 0.05 -0.08 -0.78 -1.08 0.00 0.00 178.15 175.48 1nd9 h ASP 47 N 0.29 -0.41 -0.56 2.19 3.58 0.55 -0.57 116.42 121.48 1nd9 h ASP 47 Ca 0.36 0.16 0.11 0.00 0.42 0.00 0.00 57.03 58.09 1nd9 h ASP 47 Cb 0.57 0.31 -0.10 0.00 1.72 0.00 0.00 39.33 41.83 1nd9 h ASP 47 CO -0.44 -0.15 -0.10 0.45 -2.88 0.00 0.00 179.24 176.12 1nd9 h HIS 48 N 0.05 -0.22 0.09 0.28 3.86 0.11 -2.65 115.15 116.68 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 0.18 -0.02 0.00 1.06 0.00 0.00 27.41 29.10 1nd9 h HIS 48 CO -0.42 -0.21 -0.20 1.25 0.86 0.00 0.00 177.93 179.20 1nd9 h LEU 49 N 0.03 -0.60 0.00 2.43 5.85 -0.89 -3.52 115.31 118.61 1nd9 h LEU 49 Ca 0.28 0.06 0.00 0.00 0.84 0.00 0.00 57.88 59.06 1nd9 h LEU 49 Cb 0.43 0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.68 1nd9 h LEU 49 CO -0.55 -0.23 0.00 0.59 -0.34 0.00 0.00 178.44 177.91