#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 6.10 0.29 1.09 1.01 -1.26 -1.88 116.67 122.01 1nd9 s ASP 3 Ca 0.00 0.24 0.00 0.00 0.71 0.00 0.00 52.55 53.51 1nd9 s ASP 3 Cb 0.00 -2.04 -0.02 0.00 1.01 0.00 0.00 42.92 41.86 1nd9 s ASP 3 CO 0.00 0.23 0.31 -0.69 0.21 0.00 0.00 175.17 175.23 1nd9 s VAL 4 N 0.07 0.00 -0.17 -1.27 1.01 -0.13 -4.88 120.40 115.03 1nd9 s VAL 4 Ca 0.08 -1.83 -0.24 0.00 0.00 0.00 0.00 61.98 59.99 1nd9 s VAL 4 Cb -0.11 -2.51 -0.02 0.00 0.00 0.00 0.00 36.38 33.74 1nd9 s VAL 4 CO -0.00 0.00 0.79 0.42 0.00 0.00 0.00 175.10 176.30 1nd9 s THR 5 N -3.60 4.92 0.57 3.92 -4.23 -1.26 -1.14 115.64 114.81 1nd9 s THR 5 Ca 0.36 1.54 -0.20 0.00 -1.18 0.00 0.00 61.69 62.20 1nd9 s THR 5 Cb 0.03 -4.10 -0.05 0.00 1.34 0.00 0.00 72.50 69.72 1nd9 s THR 5 CO 0.19 0.06 1.16 0.00 -0.54 0.00 0.00 174.62 175.49 1nd9 n ILE 6 N 4.65 3.81 0.00 2.99 0.13 -0.88 -2.16 119.36 127.90 1nd9 n ILE 6 Ca 0.03 -0.50 0.00 0.00 -1.10 0.00 0.00 62.75 61.18 1nd9 n ILE 6 Cb 0.49 -1.39 0.00 0.00 -0.84 0.00 0.00 39.64 37.90 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 -1.02 0.00 -0.29 9.51 0.00 -1.26 -2.89 118.16 122.20 1nd9 n LYS 7 Ca 0.12 0.00 0.04 0.00 0.00 0.00 0.00 58.31 58.48 1nd9 n LYS 7 Cb 0.46 0.00 0.19 0.00 0.00 0.00 0.00 35.03 35.67 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 0.84 -0.14 3.15 1.35 -1.95 1.22 112.91 117.38 1nd9 h THR 8 Ca 0.00 -0.25 -0.07 0.00 -0.55 0.00 0.00 66.41 65.54 1nd9 h THR 8 Cb 0.00 0.05 -0.00 0.00 -1.73 0.00 0.00 68.15 66.47 1nd9 h THR 8 CO 0.00 0.13 -0.20 0.25 -0.25 0.00 0.00 175.52 175.45 1nd9 h LEU 9 N 0.73 0.41 -0.70 3.87 7.12 -1.67 -1.39 115.31 123.68 1nd9 h LEU 9 Ca 0.42 -0.52 0.15 0.00 0.13 0.00 0.00 57.88 58.05 1nd9 h LEU 9 Cb 0.47 -0.12 -0.13 0.00 -0.53 0.00 0.00 40.66 40.35 1nd9 h LEU 9 CO -0.29 0.85 -0.12 0.00 -0.13 0.00 0.00 178.44 178.75 1nd9 h ALA 10 N 0.57 0.54 -0.08 1.25 0.00 -0.64 0.20 119.26 121.09 1nd9 h ALA 10 Ca 0.01 0.26 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 1nd9 h ALA 10 Cb 0.76 0.49 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 1nd9 h ALA 10 CO 0.05 -0.42 0.02 0.00 0.00 0.00 0.00 179.25 178.89 1nd9 h ALA 11 N 1.68 0.11 -0.06 0.00 0.00 0.13 0.18 119.26 121.30 1nd9 h ALA 11 Ca 0.35 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1nd9 h ALA 11 Cb 0.56 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1nd9 h ALA 11 CO -0.69 -0.26 0.00 0.39 0.00 0.00 0.00 179.25 178.69 1nd9 n GLU 12 N -4.89 0.00 -0.03 0.00 -0.58 0.63 -1.75 120.64 114.02 1nd9 n GLU 12 Ca -0.06 0.81 -0.13 0.00 -0.42 0.00 0.00 57.16 57.36 1nd9 n GLU 12 Cb 0.15 -1.22 -0.09 0.00 -0.57 0.00 0.00 31.44 29.71 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 0.10 0.00 3.49 2.47 -1.49 -3.47 114.38 115.49 1nd9 h ARG 13 Ca 0.00 -0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.66 1nd9 h ARG 13 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 1nd9 h ARG 13 CO 0.00 0.59 0.00 0.94 0.56 0.00 0.00 179.97 182.06 1nd9 n GLN 14 N -4.75 0.00 -0.04 0.04 7.27 0.63 -4.27 117.38 116.26 1nd9 n GLN 14 Ca -0.08 0.00 0.02 0.00 0.07 0.00 0.00 57.00 57.01 1nd9 n GLN 14 Cb 0.30 0.00 0.04 0.00 2.41 0.00 0.00 30.24 32.99 1nd9 n GLN 14 CO 0.00 0.00 0.00 -2.37 0.07 0.00 0.00 177.06 174.76 1nd9 n THR 15 N 0.00 0.70 0.00 1.69 5.66 -1.26 -4.66 114.28 116.41 1nd9 n THR 15 Ca 0.00 -0.85 0.00 0.00 -3.05 0.00 0.00 64.05 60.15 1nd9 n THR 15 Cb 0.00 0.68 0.00 0.00 -1.55 0.00 0.00 70.33 69.46 1nd9 n THR 15 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1nd9 n SER 16 N -0.03 0.00 -0.12 1.09 2.88 -1.26 -4.79 113.62 111.40 1nd9 n SER 16 Ca 0.04 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.53 1nd9 n SER 16 Cb 0.25 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.74 1nd9 n SER 16 CO 0.00 0.00 0.00 1.62 -1.23 0.00 0.00 175.04 175.43 1nd9 h VAL 17 N 0.00 0.77 -0.48 2.46 3.04 -1.85 0.72 116.25 120.91 1nd9 h VAL 17 Ca 0.00 -0.06 0.09 0.00 -1.01 0.00 0.00 66.70 65.72 1nd9 h VAL 17 Cb 0.00 0.58 -0.10 0.00 -2.01 0.00 0.00 31.29 29.76 1nd9 h VAL 17 CO 0.00 0.03 -0.34 -0.08 -1.01 0.00 0.00 177.57 176.17 1nd9 h GLU 18 N 0.17 -0.21 -0.49 4.17 4.81 -1.76 0.27 114.58 121.53 1nd9 h GLU 18 Ca 0.19 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.51 1nd9 h GLU 18 Cb 0.24 0.05 -0.07 0.00 0.63 0.00 0.00 28.75 29.60 1nd9 h GLU 18 CO -0.27 -0.14 0.12 0.00 -0.73 0.00 0.00 179.01 177.99 1nd9 h ARG 19 N -0.22 0.26 -0.40 1.92 -0.00 -1.71 -1.98 114.38 112.25 1nd9 h ARG 19 Ca 0.19 -0.02 0.07 0.00 -0.50 0.00 0.00 59.98 59.73 1nd9 h ARG 19 Cb 0.55 -0.06 -0.06 0.00 0.00 0.00 0.00 29.97 30.40 1nd9 h ARG 19 CO -0.60 0.17 0.04 1.37 0.00 0.00 0.00 179.97 180.95 1nd9 h LEU 20 N 0.27 -0.09 -0.61 3.04 8.10 0.17 -2.41 115.31 123.79 1nd9 h LEU 20 Ca 0.25 0.08 0.13 0.00 0.11 0.00 0.00 57.88 58.44 1nd9 h LEU 20 Cb 0.31 0.13 -0.11 0.00 -0.44 0.00 0.00 40.66 40.56 1nd9 h LEU 20 CO -0.30 -0.01 -0.05 0.58 -4.11 0.00 0.00 178.44 174.55 1nd9 h VAL 21 N 0.15 0.46 0.17 0.15 2.07 0.17 0.17 116.25 119.59 1nd9 h VAL 21 Ca 0.19 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.68 1nd9 h VAL 21 Cb 0.26 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 1nd9 h VAL 21 CO -0.29 0.01 -0.08 -0.61 0.02 0.00 0.00 177.57 176.62 1nd9 h GLN 22 N 0.07 -0.22 -0.66 1.57 4.15 -1.34 -1.37 115.11 117.30 1nd9 h GLN 22 Ca 0.31 0.02 0.14 0.00 0.77 0.00 0.00 58.65 59.89 1nd9 h GLN 22 Cb 0.50 0.05 -0.11 0.00 0.21 0.00 0.00 27.48 28.13 1nd9 h GLN 22 CO -0.56 -0.15 0.01 1.96 -1.93 0.00 0.00 178.83 178.16 1nd9 h GLN 23 N -0.28 0.11 -0.79 1.69 1.08 -1.48 0.16 115.11 115.60 1nd9 h GLN 23 Ca -0.02 -0.01 0.17 0.00 -1.45 0.00 0.00 58.65 57.34 1nd9 h GLN 23 Cb 0.18 -0.03 -0.11 0.00 -0.05 0.00 0.00 27.48 27.47 1nd9 h GLN 23 CO 0.04 0.08 0.28 0.74 -0.95 0.00 0.00 178.83 179.01 1nd9 h PHE 24 N 0.12 0.46 -0.84 2.96 0.04 -0.70 0.77 116.94 119.74 1nd9 h PHE 24 Ca 0.35 0.04 0.21 0.00 2.80 0.00 0.00 57.97 61.37 1nd9 h PHE 24 Cb 0.58 -0.08 -0.14 0.00 2.20 0.00 0.00 35.95 38.51 1nd9 h PHE 24 CO -0.38 -0.03 0.08 0.00 -0.60 0.00 0.00 178.31 177.39 1nd9 h ALA 25 N 1.62 1.02 -0.05 2.45 0.00 0.51 2.18 119.26 126.99 1nd9 h ALA 25 Ca 0.46 0.25 -0.00 0.00 0.00 0.00 0.00 54.91 55.62 1nd9 h ALA 25 Cb 0.78 0.42 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 1nd9 h ALA 25 CO -0.49 -0.46 0.03 0.22 0.00 0.00 0.00 179.25 178.55 1nd9 h ASP 26 N 0.12 0.06 0.00 0.00 1.82 0.55 -3.32 116.42 115.65 1nd9 h ASP 26 Ca 0.49 -0.09 0.00 0.00 -0.39 0.00 0.00 57.03 57.05 1nd9 h ASP 26 Cb 0.94 -0.02 0.00 0.00 0.68 0.00 0.00 39.33 40.94 1nd9 h ASP 26 CO -0.71 0.13 0.00 0.00 -1.61 0.00 0.00 179.24 177.05 1nd9 n ALA 27 N -2.15 -0.07 0.00 -0.78 0.00 0.69 -4.89 120.51 113.31 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 0.07 0.18 0.00 0.00 0.00 0.00 0.00 19.45 19.70 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 -0.85 0.00 3.64 0.00 0.00 0.16 -5.06 105.19 103.08 1nd9 n GLY 28 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.73 -0.61 -0.00 -1.01 -5.00 119.36 111.01 1nd9 n ILE 29 Ca 0.00 -1.70 -0.31 0.00 -0.00 0.00 0.00 62.75 60.74 1nd9 n ILE 29 Cb 0.00 -0.67 0.03 0.00 -0.00 0.00 0.00 39.64 39.00 1nd9 n ILE 29 CO 0.00 0.00 0.00 -0.60 -0.00 0.00 0.00 176.55 175.95 1nd9 s ARG 30 N -4.61 3.28 0.58 0.38 6.06 -1.26 -3.84 118.95 119.54 1nd9 s ARG 30 Ca 0.58 0.85 -0.05 0.00 -2.50 0.00 0.00 55.73 54.62 1nd9 s ARG 30 Cb -0.04 -2.04 0.02 0.00 0.06 0.00 0.00 34.95 32.95 1nd9 s ARG 30 CO 0.38 -0.83 0.87 -1.59 -2.50 0.00 0.00 175.30 171.63 1nd9 s LYS 31 N -5.10 2.82 0.55 5.12 -2.85 -1.26 -3.70 119.74 115.32 1nd9 s LYS 31 Ca 0.57 -0.17 -0.06 0.00 -1.00 0.00 0.00 55.97 55.31 1nd9 s LYS 31 Cb -0.12 -2.32 -0.01 0.00 -2.06 0.00 0.00 37.83 33.32 1nd9 s LYS 31 CO 0.54 -0.71 0.87 0.45 0.10 0.00 0.00 175.35 176.60 1nd9 s SER 32 N -4.33 5.91 0.00 0.03 0.15 -1.24 -4.63 113.70 109.60 1nd9 s SER 32 Ca 0.54 0.87 0.00 0.00 0.70 0.00 0.00 55.95 58.06 1nd9 s SER 32 Cb -0.10 -1.99 0.00 0.00 -1.71 0.00 0.00 66.02 62.21 1nd9 s SER 32 CO 0.44 -0.86 0.00 0.00 1.20 0.00 0.00 173.24 174.02 1nd9 n ALA 33 N -2.48 0.00 -1.77 5.45 0.00 -1.26 -4.92 120.51 115.53 1nd9 n ALA 33 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1nd9 n ALA 33 Cb 0.56 -0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.98 1nd9 n ALA 33 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1nd9 n ASP 34 N -0.01 -6.97 0.00 0.00 -0.08 -1.25 -5.01 116.55 103.23 1nd9 n ASP 34 Ca 0.00 1.13 0.00 0.00 -1.51 0.00 0.00 54.79 54.41 1nd9 n ASP 34 Cb 0.04 -3.82 0.00 0.00 2.34 0.00 0.00 41.12 39.68 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 1.26 0.00 -3.76 1.67 -0.08 -1.14 -4.96 116.55 109.54 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 0.00 0.00 -0.13 0.00 2.34 0.00 0.00 41.12 43.33 1nd9 n ASP 35 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 1nd9 s SER 36 N -4.00 3.82 0.52 1.67 0.15 -1.26 -2.07 113.70 112.53 1nd9 s SER 36 Ca 0.00 -2.55 0.06 0.00 0.70 0.00 0.00 55.95 54.16 1nd9 s SER 36 Cb 0.00 -1.12 0.03 0.00 -1.71 0.00 0.00 66.02 63.22 1nd9 s SER 36 CO 0.00 -0.28 0.42 0.54 1.20 0.00 0.00 173.24 175.12 1nd9 s VAL 37 N 0.42 1.88 -0.23 4.45 0.11 -0.30 -4.42 120.40 122.32 1nd9 s VAL 37 Ca 0.16 -1.43 -0.08 0.00 -2.93 0.00 0.00 61.98 57.70 1nd9 s VAL 37 Cb -0.24 -2.31 -0.04 0.00 -1.53 0.00 0.00 36.38 32.26 1nd9 s VAL 37 CO -0.02 0.00 0.09 -0.44 -3.33 0.00 0.00 175.10 171.40 1nd9 s SER 38 N -4.28 5.53 0.46 3.54 0.01 -1.26 -0.95 113.70 116.75 1nd9 s SER 38 Ca 0.39 -0.04 -0.11 0.00 1.31 0.00 0.00 55.95 57.50 1nd9 s SER 38 Cb -0.02 -1.98 -0.06 0.00 0.21 0.00 0.00 66.02 64.16 1nd9 s SER 38 CO 0.24 0.05 0.83 0.00 0.41 0.00 0.00 173.24 174.77 1nd9 s ALA 39 N 1.13 3.28 0.00 1.44 0.00 -0.79 -3.64 121.76 123.19 1nd9 s ALA 39 Ca 0.05 -0.17 0.00 0.00 0.00 0.00 0.00 51.96 51.84 1nd9 s ALA 39 Cb -0.14 -2.79 0.00 0.00 0.00 0.00 0.00 23.12 20.18 1nd9 s ALA 39 CO 0.04 -0.17 0.00 0.94 0.00 0.00 0.00 175.76 176.57 1nd9 n GLN 40 N -1.64 -0.00 0.21 0.00 7.27 -1.26 -4.77 117.38 117.18 1nd9 n GLN 40 Ca 0.03 0.00 0.14 0.00 0.07 0.00 0.00 57.00 57.25 1nd9 n GLN 40 Cb 0.54 -3.02 0.49 0.00 2.41 0.00 0.00 30.24 30.66 1nd9 n GLN 40 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 1nd9 h GLU 41 N 2.21 0.00 -0.90 3.69 4.39 -1.91 -3.31 114.58 118.76 1nd9 h GLU 41 Ca 0.00 0.00 0.31 0.00 0.34 0.00 0.00 59.36 60.01 1nd9 h GLU 41 Cb 0.00 0.00 -0.08 0.00 -0.10 0.00 0.00 28.75 28.57 1nd9 h GLU 41 CO 0.00 0.00 0.59 1.17 -1.16 0.00 0.00 179.01 179.61 1nd9 n LYS 42 N -2.79 -0.02 -0.10 2.33 0.00 -1.26 0.43 118.16 116.75 1nd9 n LYS 42 Ca 0.02 0.78 -0.07 0.00 0.00 0.00 0.00 58.31 59.05 1nd9 n LYS 42 Cb 0.36 -1.56 -0.00 0.00 0.00 0.00 0.00 35.03 33.83 1nd9 n LYS 42 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.40 177.77 1nd9 h GLN 43 N 0.00 -0.19 -0.32 1.64 5.75 -1.96 -0.95 115.11 119.09 1nd9 h GLN 43 Ca 0.56 0.01 -0.14 0.00 -0.15 0.00 0.00 58.65 58.93 1nd9 h GLN 43 Cb 1.84 0.04 -0.00 0.00 1.07 0.00 0.00 27.48 30.43 1nd9 h GLN 43 CO -0.27 -0.13 -0.37 1.79 -2.65 0.00 0.00 178.83 177.21 1nd9 h THR 44 N -0.20 1.29 -0.74 2.39 1.35 -0.34 -2.78 112.91 113.88 1nd9 h THR 44 Ca 0.18 -1.55 0.16 0.00 -0.55 0.00 0.00 66.41 64.65 1nd9 h THR 44 Cb 0.47 1.54 -0.14 0.00 -1.73 0.00 0.00 68.15 68.30 1nd9 h THR 44 CO -0.48 0.50 -0.09 0.17 -0.25 0.00 0.00 175.52 175.37 1nd9 h LEU 45 N 0.58 -0.52 -0.57 3.87 8.10 -1.15 2.89 115.31 128.51 1nd9 h LEU 45 Ca 0.04 0.21 0.08 0.00 0.11 0.00 0.00 57.88 58.32 1nd9 h LEU 45 Cb 0.96 0.40 -0.06 0.00 -0.44 0.00 0.00 40.66 41.52 1nd9 h LEU 45 CO 0.09 -0.22 0.24 0.40 -4.11 0.00 0.00 178.44 174.84 1nd9 h ILE 46 N 0.04 0.83 0.00 0.15 2.04 -1.13 -0.01 117.51 119.44 1nd9 h ILE 46 Ca 0.38 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 66.09 1nd9 h ILE 46 Cb 0.63 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 37.07 1nd9 h ILE 46 CO -0.71 0.08 0.00 -0.67 0.00 0.00 0.00 178.15 176.85 1nd9 n ASP 47 N -4.96 0.00 -0.03 1.72 2.03 0.95 -1.28 116.55 114.98 1nd9 n ASP 47 Ca 0.07 0.99 -0.12 0.00 0.52 0.00 0.00 54.79 56.25 1nd9 n ASP 47 Cb 0.23 -0.49 -0.07 0.00 -0.72 0.00 0.00 41.12 40.07 1nd9 n ASP 47 CO 0.00 0.00 0.00 1.12 -1.92 0.00 0.00 177.20 176.40 1nd9 h HIS 48 N 0.00 0.20 0.00 -0.67 2.07 -0.95 -3.33 115.15 112.47 1nd9 h HIS 48 Ca 0.00 -0.03 0.00 0.00 -2.85 0.00 0.00 60.37 57.49 1nd9 h HIS 48 Cb 0.00 -0.05 0.00 0.00 2.57 0.00 0.00 27.41 29.93 1nd9 h HIS 48 CO -0.44 0.41 0.00 -0.11 -3.07 0.00 0.00 177.93 174.73 1nd9 n LEU 49 N -4.82 0.00 0.00 6.12 0.00 -0.02 -5.11 117.00 113.16 1nd9 n LEU 49 Ca -0.06 0.99 0.00 0.00 0.00 0.00 0.00 56.01 56.94 1nd9 n LEU 49 Cb 0.19 -0.49 0.00 0.00 0.00 0.00 0.00 43.42 43.12 1nd9 n LEU 49 CO 0.35 -0.49 0.24 -3.20 0.00 0.00 0.00 177.39 174.29