#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 6.74 0.29 3.42 -1.08 -1.26 -2.00 116.67 122.78 1nd9 s ASP 3 Ca 0.00 0.89 0.00 0.00 -0.52 0.00 0.00 52.55 52.92 1nd9 s ASP 3 Cb 0.00 -2.33 -0.02 0.00 -1.46 0.00 0.00 42.92 39.11 1nd9 s ASP 3 CO 0.00 -0.11 0.32 -0.69 0.52 0.00 0.00 175.17 175.21 1nd9 s VAL 4 N 1.06 0.00 -0.17 1.11 1.01 -1.10 -5.00 120.40 117.31 1nd9 s VAL 4 Ca 0.29 -1.82 -0.22 0.00 0.00 0.00 0.00 61.98 60.23 1nd9 s VAL 4 Cb -0.16 -2.51 -0.03 0.00 0.00 0.00 0.00 36.38 33.68 1nd9 s VAL 4 CO 0.12 0.00 0.66 0.42 0.00 0.00 0.00 175.10 176.30 1nd9 s THR 5 N -3.56 5.01 0.66 3.92 -4.23 -1.26 -1.22 115.64 114.96 1nd9 s THR 5 Ca 0.35 1.28 -0.17 0.00 -1.18 0.00 0.00 61.69 61.97 1nd9 s THR 5 Cb 0.02 -3.98 -0.04 0.00 1.34 0.00 0.00 72.50 69.85 1nd9 s THR 5 CO 0.20 0.12 0.77 0.00 -0.54 0.00 0.00 174.62 175.17 1nd9 n ILE 6 N 4.55 2.76 0.00 2.99 0.00 -1.02 -2.70 119.36 125.94 1nd9 n ILE 6 Ca -0.01 -0.44 0.00 0.00 0.00 0.00 0.00 62.75 62.30 1nd9 n ILE 6 Cb 0.50 -0.94 0.00 0.00 0.00 0.00 0.00 39.64 39.19 1nd9 n ILE 6 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 1nd9 n LYS 7 N -1.00 0.00 -0.10 9.51 0.00 -1.26 -2.97 118.16 122.33 1nd9 n LYS 7 Ca 0.12 0.00 -0.09 0.00 0.00 0.00 0.00 58.31 58.34 1nd9 n LYS 7 Cb 0.49 0.00 -0.01 0.00 0.00 0.00 0.00 35.03 35.50 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 1.12 -0.10 3.15 2.02 -1.97 0.88 112.91 118.02 1nd9 h THR 8 Ca 0.00 -0.31 -0.06 0.00 0.77 0.00 0.00 66.41 66.82 1nd9 h THR 8 Cb 0.00 0.72 -0.00 0.00 -1.74 0.00 0.00 68.15 67.13 1nd9 h THR 8 CO 0.00 0.13 -0.15 0.25 0.37 0.00 0.00 175.52 176.11 1nd9 h LEU 9 N 0.43 0.31 -0.67 2.58 6.46 -1.75 -2.17 115.31 120.49 1nd9 h LEU 9 Ca 0.12 -0.53 0.14 0.00 -0.12 0.00 0.00 57.88 57.49 1nd9 h LEU 9 Cb 0.03 -0.09 -0.13 0.00 -0.73 0.00 0.00 40.66 39.75 1nd9 h LEU 9 CO -0.02 0.78 -0.14 0.00 -0.62 0.00 0.00 178.44 178.44 1nd9 h ALA 10 N 0.54 0.49 -0.17 1.25 0.00 -1.67 0.43 119.26 120.12 1nd9 h ALA 10 Ca 0.01 0.26 0.01 0.00 0.00 0.00 0.00 54.91 55.19 1nd9 h ALA 10 Cb 0.71 0.49 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1nd9 h ALA 10 CO 0.04 -0.42 0.08 0.00 0.00 0.00 0.00 179.25 178.94 1nd9 h ALA 11 N 1.67 0.20 -0.32 0.00 0.00 0.81 0.40 119.26 122.02 1nd9 h ALA 11 Ca 0.33 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1nd9 h ALA 11 Cb 0.52 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1nd9 h ALA 11 CO -0.68 -0.35 0.00 -1.91 0.00 0.00 0.00 179.25 176.31 1nd9 n GLU 12 N -5.02 0.00 -0.03 0.00 0.00 0.15 -1.38 120.64 114.36 1nd9 n GLU 12 Ca -0.03 0.63 -0.13 0.00 0.00 0.00 0.00 57.16 57.63 1nd9 n GLU 12 Cb 0.05 -0.98 -0.09 0.00 0.00 0.00 0.00 31.44 30.43 1nd9 n GLU 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1nd9 h ARG 13 N 0.00 0.13 0.00 5.31 2.47 -1.48 -3.47 114.38 117.34 1nd9 h ARG 13 Ca 0.00 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 58.65 1nd9 h ARG 13 Cb 0.00 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.33 1nd9 h ARG 13 CO 0.00 0.61 0.00 0.94 0.56 0.00 0.00 179.97 182.08 1nd9 n GLN 14 N -4.73 0.00 -0.22 0.04 7.27 0.14 -4.33 117.38 115.56 1nd9 n GLN 14 Ca -0.08 0.00 0.07 0.00 0.07 0.00 0.00 57.00 57.06 1nd9 n GLN 14 Cb 0.31 0.00 0.16 0.00 2.41 0.00 0.00 30.24 33.12 1nd9 n GLN 14 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 1nd9 n THR 15 N 0.00 1.66 0.00 1.69 -2.24 -1.26 -4.67 114.28 109.46 1nd9 n THR 15 Ca 0.00 -1.60 0.00 0.00 -2.27 0.00 0.00 64.05 60.18 1nd9 n THR 15 Cb 0.00 0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.30 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 -0.46 0.00 -0.14 3.42 7.64 -1.26 -4.85 113.62 117.98 1nd9 n SER 16 Ca 0.14 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.98 1nd9 n SER 16 Cb 0.61 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.84 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 0.56 -0.39 0.44 3.04 -1.86 0.53 116.25 118.56 1nd9 h VAL 17 Ca 0.00 -0.00 0.08 0.00 -1.01 0.00 0.00 66.70 65.76 1nd9 h VAL 17 Cb 0.00 0.55 -0.09 0.00 -2.01 0.00 0.00 31.29 29.74 1nd9 h VAL 17 CO 0.00 0.00 -0.34 -0.08 -1.01 0.00 0.00 177.57 176.15 1nd9 h GLU 18 N 0.01 -0.25 -0.57 4.17 4.81 -1.79 0.24 114.58 121.20 1nd9 h GLU 18 Ca 0.22 0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.53 1nd9 h GLU 18 Cb 0.33 0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.71 1nd9 h GLU 18 CO -0.45 -0.17 0.27 0.00 -0.73 0.00 0.00 179.01 177.92 1nd9 h ARG 19 N -0.26 0.48 -0.44 1.92 -0.00 -1.65 -2.52 114.38 111.91 1nd9 h ARG 19 Ca 0.17 -0.03 0.08 0.00 -0.50 0.00 0.00 59.98 59.70 1nd9 h ARG 19 Cb 0.54 -0.11 -0.07 0.00 0.00 0.00 0.00 29.97 30.34 1nd9 h ARG 19 CO -0.54 0.32 0.03 1.37 0.00 0.00 0.00 179.97 181.15 1nd9 h LEU 20 N 0.50 -0.13 -0.34 3.04 8.10 0.31 -2.47 115.31 124.32 1nd9 h LEU 20 Ca 0.27 0.10 0.06 0.00 0.11 0.00 0.00 57.88 58.41 1nd9 h LEU 20 Cb 0.23 0.16 -0.05 0.00 -0.44 0.00 0.00 40.66 40.56 1nd9 h LEU 20 CO -0.22 -0.03 0.01 0.58 -4.11 0.00 0.00 178.44 174.67 1nd9 h VAL 21 N 0.14 0.76 0.08 0.15 2.07 -0.25 -0.06 116.25 119.14 1nd9 h VAL 21 Ca 0.22 -0.04 -0.00 0.00 0.82 0.00 0.00 66.70 67.70 1nd9 h VAL 21 Cb 0.31 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1nd9 h VAL 21 CO -0.34 0.02 -0.06 1.56 0.02 0.00 0.00 177.57 178.77 1nd9 h GLN 22 N 0.11 -0.12 -0.58 1.57 4.20 -1.35 0.16 115.11 119.09 1nd9 h GLN 22 Ca 0.16 0.01 0.12 0.00 0.06 0.00 0.00 58.65 59.00 1nd9 h GLN 22 Cb 0.22 0.03 -0.11 0.00 0.30 0.00 0.00 27.48 27.92 1nd9 h GLN 22 CO -0.26 -0.08 -0.10 1.96 -0.67 0.00 0.00 178.83 179.68 1nd9 h GLN 23 N -0.13 0.03 -0.73 1.46 1.08 -1.52 -0.86 115.11 114.44 1nd9 h GLN 23 Ca -0.01 -0.00 0.12 0.00 -1.45 0.00 0.00 58.65 57.31 1nd9 h GLN 23 Cb 0.11 -0.01 -0.08 0.00 -0.05 0.00 0.00 27.48 27.45 1nd9 h GLN 23 CO 0.00 0.02 0.31 0.74 -0.95 0.00 0.00 178.83 178.96 1nd9 h PHE 24 N 0.03 0.55 -0.82 2.96 0.04 -0.91 0.29 116.94 119.08 1nd9 h PHE 24 Ca 0.29 0.03 0.20 0.00 2.80 0.00 0.00 57.97 61.29 1nd9 h PHE 24 Cb 0.45 -0.13 -0.14 0.00 2.20 0.00 0.00 35.95 38.33 1nd9 h PHE 24 CO -0.44 0.13 0.04 0.00 -0.60 0.00 0.00 178.31 177.44 1nd9 h ALA 25 N 1.49 0.93 -0.10 2.45 0.00 0.53 2.29 119.26 126.84 1nd9 h ALA 25 Ca 0.38 0.26 -0.00 0.00 0.00 0.00 0.00 54.91 55.55 1nd9 h ALA 25 Cb 0.51 0.43 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 1nd9 h ALA 25 CO -0.35 -0.45 0.05 0.22 0.00 0.00 0.00 179.25 178.72 1nd9 h ASP 26 N 0.11 0.13 0.00 0.00 3.58 -0.50 -3.33 116.42 116.41 1nd9 h ASP 26 Ca 0.47 -0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.80 1nd9 h ASP 26 Cb 0.87 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.89 1nd9 h ASP 26 CO -0.71 0.21 0.00 0.00 -2.88 0.00 0.00 179.24 175.86 1nd9 n ALA 27 N -2.18 -0.09 0.00 -0.78 0.00 0.67 -4.90 120.51 113.23 1nd9 n ALA 27 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1nd9 n ALA 27 Cb 0.09 0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.63 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 -0.74 0.00 2.72 0.00 0.00 0.40 -5.04 105.19 102.53 1nd9 n GLY 28 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.50 -0.61 2.08 -0.92 -4.99 119.36 112.42 1nd9 n ILE 29 Ca 0.00 -1.90 -0.36 0.00 0.56 0.00 0.00 62.75 61.05 1nd9 n ILE 29 Cb 0.00 0.99 -0.03 0.00 -0.75 0.00 0.00 39.64 39.85 1nd9 n ILE 29 CO 0.00 0.00 0.00 -0.13 0.56 0.00 0.00 176.55 176.98 1nd9 s ARG 30 N -3.01 3.98 0.61 0.38 3.00 -1.26 -3.64 118.95 119.00 1nd9 s ARG 30 Ca 0.31 1.50 -0.05 0.00 0.00 0.00 0.00 55.73 57.49 1nd9 s ARG 30 Cb 0.01 -2.37 0.03 0.00 0.00 0.00 0.00 34.95 32.62 1nd9 s ARG 30 CO 0.22 -0.30 0.90 0.15 0.00 0.00 0.00 175.30 176.27 1nd9 s LYS 31 N -2.78 2.63 0.67 3.54 3.01 -1.08 -4.04 119.74 121.70 1nd9 s LYS 31 Ca 0.62 -0.24 0.00 0.00 -1.01 0.00 0.00 55.97 55.34 1nd9 s LYS 31 Cb -0.21 -2.29 0.10 0.00 -1.01 0.00 0.00 37.83 34.42 1nd9 s LYS 31 CO 0.26 -0.85 0.93 -1.12 0.51 0.00 0.00 175.35 175.08 1nd9 s SER 32 N -4.39 4.61 0.00 2.83 0.01 -1.25 -3.87 113.70 111.64 1nd9 s SER 32 Ca 0.56 -0.31 0.00 0.00 1.31 0.00 0.00 55.95 57.51 1nd9 s SER 32 Cb -0.11 -0.20 0.00 0.00 0.21 0.00 0.00 66.02 65.93 1nd9 s SER 32 CO 0.43 -1.66 0.00 0.00 0.41 0.00 0.00 173.24 172.42 1nd9 n ALA 33 N -2.69 0.00 -2.40 1.44 0.00 -1.26 -4.84 120.51 110.76 1nd9 n ALA 33 Ca 0.13 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.55 1nd9 n ALA 33 Cb 0.60 -0.09 -0.02 0.00 0.00 0.00 0.00 19.45 19.94 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 0.13 -4.79 0.00 0.00 2.03 -1.25 -5.01 116.55 107.66 1nd9 n ASP 34 Ca 0.00 1.52 0.00 0.00 0.52 0.00 0.00 54.79 56.83 1nd9 n ASP 34 Cb 0.09 -5.02 0.00 0.00 -0.72 0.00 0.00 41.12 35.47 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 1.67 0.00 -4.32 1.67 2.03 -1.16 -4.96 116.55 111.48 1nd9 n ASP 35 Ca -0.20 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 54.79 1nd9 n ASP 35 Cb 0.31 0.00 -0.16 0.00 -0.72 0.00 0.00 41.12 40.56 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 3.30 0.16 1.67 1.04 -1.25 -2.45 113.70 112.17 1nd9 s SER 36 Ca 0.00 -0.43 -0.01 0.00 0.48 0.00 0.00 55.95 55.99 1nd9 s SER 36 Cb 0.00 -0.77 -0.04 0.00 0.10 0.00 0.00 66.02 65.31 1nd9 s SER 36 CO 0.00 0.28 0.07 0.54 0.98 0.00 0.00 173.24 175.11 1nd9 s VAL 37 N -0.34 0.13 -0.13 5.02 0.11 -0.35 -2.62 120.40 122.22 1nd9 s VAL 37 Ca 0.02 -1.94 0.01 0.00 -2.93 0.00 0.00 61.98 57.14 1nd9 s VAL 37 Cb -0.12 -2.20 0.02 0.00 -1.53 0.00 0.00 36.38 32.54 1nd9 s VAL 37 CO 0.02 -0.32 -0.17 -0.44 -3.33 0.00 0.00 175.10 170.87 1nd9 s SER 38 N -3.10 2.70 0.36 3.54 0.01 -1.26 -2.71 113.70 113.24 1nd9 s SER 38 Ca 0.29 -0.50 -0.23 0.00 1.31 0.00 0.00 55.95 56.82 1nd9 s SER 38 Cb 0.07 -1.22 -0.10 0.00 0.21 0.00 0.00 66.02 64.99 1nd9 s SER 38 CO 0.05 0.00 0.93 0.00 0.41 0.00 0.00 173.24 174.63 1nd9 s ALA 39 N 1.13 3.16 0.00 1.44 0.00 -0.85 -3.34 121.76 123.31 1nd9 s ALA 39 Ca -0.02 0.44 0.00 0.00 0.00 0.00 0.00 51.96 52.38 1nd9 s ALA 39 Cb -0.14 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 19.84 1nd9 s ALA 39 CO -0.05 0.17 0.00 1.04 0.00 0.00 0.00 175.76 176.92 1nd9 n GLN 40 N 0.10 -0.24 0.00 0.00 1.13 -1.26 -4.80 117.38 112.30 1nd9 n GLN 40 Ca 0.04 0.06 0.13 0.00 -1.94 0.00 0.00 57.00 55.29 1nd9 n GLN 40 Cb 0.52 -3.49 0.69 0.00 0.11 0.00 0.00 30.24 28.07 1nd9 n GLN 40 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1nd9 n GLU 41 N -1.80 0.40 -0.17 -1.09 -0.58 -1.21 -4.05 120.64 112.14 1nd9 n GLU 41 Ca 0.00 0.03 0.19 0.00 -0.42 0.00 0.00 57.16 56.96 1nd9 n GLU 41 Cb 0.06 -1.50 0.30 0.00 -0.57 0.00 0.00 31.44 29.73 1nd9 n GLU 41 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 1nd9 n LYS 42 N -1.28 0.01 0.12 3.49 2.85 -1.26 -0.52 118.16 121.57 1nd9 n LYS 42 Ca 0.13 0.65 0.03 0.00 -1.05 0.00 0.00 58.31 58.08 1nd9 n LYS 42 Cb 0.21 -1.62 0.17 0.00 -0.65 0.00 0.00 35.03 33.15 1nd9 n LYS 42 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 1nd9 n GLN 43 N -2.59 0.05 -0.23 -1.58 3.00 -1.26 -1.98 117.38 112.79 1nd9 n GLN 43 Ca 0.16 0.45 0.02 0.00 -0.01 0.00 0.00 57.00 57.62 1nd9 n GLN 43 Cb 1.01 -2.07 0.11 0.00 0.00 0.00 0.00 30.24 29.29 1nd9 n GLN 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1nd9 h THR 44 N 0.00 0.37 -0.54 5.09 1.03 -1.13 -0.28 112.91 117.45 1nd9 h THR 44 Ca 0.00 -0.02 0.11 0.00 -0.01 0.00 0.00 66.41 66.48 1nd9 h THR 44 Cb 0.84 0.30 -0.10 0.00 -1.07 0.00 0.00 68.15 68.11 1nd9 h THR 44 CO 0.00 0.01 -0.13 -0.07 -0.01 0.00 0.00 175.52 175.32 1nd9 h LEU 45 N 0.07 -0.49 0.43 0.00 3.38 -1.69 -0.22 115.31 116.78 1nd9 h LEU 45 Ca 0.36 0.16 -0.02 0.00 0.09 0.00 0.00 57.88 58.47 1nd9 h LEU 45 Cb 0.59 0.33 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1nd9 h LEU 45 CO -0.65 -0.17 -0.20 0.40 0.09 0.00 0.00 178.44 177.91 1nd9 h ILE 46 N 0.00 0.00 -0.00 1.22 2.04 -1.38 -2.74 117.51 116.64 1nd9 h ILE 46 Ca 0.26 -0.45 0.01 0.00 1.00 0.00 0.00 64.86 65.68 1nd9 h ILE 46 Cb 0.39 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.44 1nd9 h ILE 46 CO -0.55 0.00 -0.31 0.44 0.00 0.00 0.00 178.15 177.74 1nd9 h ASP 47 N -1.02 -0.95 -0.54 1.72 5.19 -1.04 -0.63 116.42 119.15 1nd9 h ASP 47 Ca -0.06 0.11 0.11 0.00 -0.62 0.00 0.00 57.03 56.57 1nd9 h ASP 47 Cb 0.44 0.36 -0.10 0.00 0.18 0.00 0.00 39.33 40.21 1nd9 h ASP 47 CO 0.10 -0.30 -0.09 0.45 -3.12 0.00 0.00 179.24 176.28 1nd9 h HIS 48 N -0.38 -0.20 0.00 4.55 3.86 -1.21 -2.94 115.15 118.83 1nd9 h HIS 48 Ca 0.01 0.05 -0.00 0.00 -1.16 0.00 0.00 60.37 59.26 1nd9 h HIS 48 Cb 0.41 0.17 -0.00 0.00 1.06 0.00 0.00 27.41 29.05 1nd9 h HIS 48 CO -0.45 -0.20 -0.01 -0.07 0.86 0.00 0.00 177.93 178.06 1nd9 h LEU 49 N 0.03 -0.02 0.00 2.43 4.07 -1.14 -3.51 115.31 117.17 1nd9 h LEU 49 Ca 0.27 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.23 1nd9 h LEU 49 Cb 0.41 0.01 0.00 0.00 1.08 0.00 0.00 40.66 42.16 1nd9 h LEU 49 CO -0.52 -0.01 0.00 0.59 -1.08 0.00 0.00 178.44 177.42