#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1imx s THR 4 N 0.00 1.17 -0.22 6.31 -4.23 -1.26 -4.76 115.64 112.65 1imx s THR 4 Ca 0.00 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.52 1imx s THR 4 Cb 0.00 -2.35 0.03 0.00 1.34 0.00 0.00 72.50 71.52 1imx s THR 4 CO 0.00 0.00 -0.14 -0.76 -0.54 0.00 0.00 174.62 173.18 1imx s LEU 5 N -3.78 2.78 0.15 4.79 1.43 -0.50 -5.00 118.68 118.55 1imx s LEU 5 Ca 0.15 -0.93 0.04 0.00 -1.03 0.00 0.00 54.13 52.37 1imx s LEU 5 Cb 0.03 -1.54 -0.04 0.00 0.03 0.00 0.00 46.19 44.66 1imx s LEU 5 CO 0.08 -0.09 -0.10 0.00 0.23 0.00 0.00 176.35 176.48 1imx n GLY 7 N -0.21 3.02 0.32 0.00 0.00 -1.26 -1.97 105.19 105.09 1imx n GLY 7 Ca -0.10 -0.06 0.03 0.00 0.00 0.00 0.00 46.02 45.89 1imx n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1imx h ALA 8 N -0.50 1.61 -0.64 4.61 0.00 -1.99 -2.00 119.26 120.36 1imx h ALA 8 Ca 0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1imx h ALA 8 Cb 0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1imx h ALA 8 CO 0.00 0.35 0.28 0.93 0.00 0.00 0.00 179.25 180.80 1imx h GLU 9 N 0.68 0.93 -0.34 0.00 5.08 -1.79 0.57 114.58 119.71 1imx h GLU 9 Ca 0.18 -0.14 -0.12 0.00 -1.00 0.00 0.00 59.36 58.28 1imx h GLU 9 Cb -0.05 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.03 1imx h GLU 9 CO -0.04 0.74 -0.25 1.25 -1.00 0.00 0.00 179.01 179.71 1imx h LEU 10 N 0.92 0.80 -0.54 1.33 5.85 -1.19 -1.86 115.31 120.61 1imx h LEU 10 Ca 0.22 -0.44 -0.10 0.00 0.84 0.00 0.00 57.88 58.39 1imx h LEU 10 Cb 0.14 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.93 1imx h LEU 10 CO -0.02 1.07 -0.07 0.58 -0.34 0.00 0.00 178.44 179.66 1imx h VAL 11 N 0.54 1.27 -0.50 1.05 2.07 -1.08 -1.72 116.25 117.88 1imx h VAL 11 Ca 0.06 -1.21 0.01 0.00 0.82 0.00 0.00 66.70 66.38 1imx h VAL 11 Cb 0.81 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 31.50 1imx h VAL 11 CO 0.07 0.43 0.31 0.44 0.02 0.00 0.00 177.57 178.84 1imx h ASP 12 N 0.88 0.52 -0.58 0.57 3.32 -0.81 -0.12 116.42 120.20 1imx h ASP 12 Ca 0.15 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 1imx h ASP 12 Cb 0.63 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 40.03 1imx h ASP 12 CO 0.04 0.38 0.31 0.00 -1.72 0.00 0.00 179.24 178.25 1imx h ALA 13 N 1.20 0.74 -0.49 3.45 0.00 -1.11 -1.41 119.26 121.64 1imx h ALA 13 Ca 0.19 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 1imx h ALA 13 Cb -0.03 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 1imx h ALA 13 CO -0.06 0.27 0.05 -0.07 0.00 0.00 0.00 179.25 179.44 1imx h LEU 14 N 0.78 0.81 -1.11 0.00 3.38 -0.96 -0.22 115.31 117.99 1imx h LEU 14 Ca 0.20 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 1imx h LEU 14 Cb 0.06 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1imx h LEU 14 CO -0.03 0.88 0.16 1.56 0.09 0.00 0.00 178.44 181.10 1imx h GLN 15 N 0.70 0.79 -0.03 1.13 4.20 -0.81 0.22 115.11 121.32 1imx h GLN 15 Ca 0.15 -0.14 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 1imx h GLN 15 Cb 0.43 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.09 1imx h GLN 15 CO 0.01 0.69 -0.08 0.35 -0.67 0.00 0.00 178.83 179.13 1imx h PHE 16 N 0.77 0.13 -0.37 2.96 3.57 -1.01 -2.09 116.94 120.90 1imx h PHE 16 Ca 0.18 -0.05 -0.15 0.00 3.53 0.00 0.00 57.97 61.47 1imx h PHE 16 Cb 0.24 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 1imx h PHE 16 CO 0.01 0.69 -0.38 0.28 -2.23 0.00 0.00 178.31 176.69 1imx h VAL 17 N -0.46 1.28 0.00 1.41 2.07 -0.94 -3.23 116.25 116.38 1imx h VAL 17 Ca -0.00 -1.55 0.00 0.00 0.82 0.00 0.00 66.70 65.97 1imx h VAL 17 Cb 0.69 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.86 1imx h VAL 17 CO 0.02 0.52 -0.37 0.00 0.02 0.00 0.00 177.57 177.76 1imx n GLY 19 N 1.22 4.16 0.39 0.00 0.00 -0.78 -1.83 105.19 108.34 1imx n GLY 19 Ca 0.03 0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.26 1imx n GLY 19 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1imx n ASP 20 N 8.91 1.54 -0.05 1.61 8.00 -1.26 -4.35 116.55 130.94 1imx n ASP 20 Ca 0.00 -1.22 -0.02 0.00 0.71 0.00 0.00 54.79 54.26 1imx n ASP 20 Cb 0.00 0.28 0.24 0.00 -0.02 0.00 0.00 41.12 41.62 1imx n ASP 20 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1imx h ARG 21 N 1.89 0.65 0.00 -1.24 3.08 -1.69 -3.50 114.38 113.57 1imx h ARG 21 Ca 0.00 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 59.90 1imx h ARG 21 Cb 0.63 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.59 1imx h ARG 21 CO 0.00 0.65 0.00 0.41 -1.07 0.00 0.00 179.97 179.96 1imx n GLY 22 N -0.81 0.33 3.41 0.04 0.00 -1.26 -4.40 105.19 102.49 1imx n GLY 22 Ca 0.02 -1.85 -0.09 0.00 0.00 0.00 0.00 46.02 44.10 1imx n GLY 22 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1imx s PHE 23 N -1.97 0.20 0.21 1.61 -0.71 -1.26 -0.51 117.98 115.54 1imx s PHE 23 Ca 0.00 -0.56 0.05 0.00 -1.04 0.00 0.00 56.93 55.38 1imx s PHE 23 Cb 0.00 0.11 -0.05 0.00 -1.21 0.00 0.00 43.02 41.87 1imx s PHE 23 CO 0.00 -0.79 -0.07 1.52 -1.34 0.00 0.00 175.22 174.54 1imx s TYR 24 N -3.93 1.55 -0.15 3.49 1.13 -0.38 -4.84 117.35 114.22 1imx s TYR 24 Ca 0.14 -0.77 0.20 0.00 -1.41 0.00 0.00 57.07 55.22 1imx s TYR 24 Cb 0.02 -0.83 -0.13 0.00 -1.10 0.00 0.00 41.96 39.91 1imx s TYR 24 CO -0.01 0.12 0.78 1.19 -2.51 0.00 0.00 175.55 175.12 1imx n PHE 25 N -0.37 0.75 -4.09 -3.49 3.01 -1.26 -4.84 117.46 107.18 1imx n PHE 25 Ca -0.07 0.24 -0.19 0.00 1.01 0.00 0.00 57.45 58.44 1imx n PHE 25 Cb 0.62 -0.95 -0.16 0.00 -0.01 0.00 0.00 39.48 38.98 1imx n PHE 25 CO 0.00 0.00 0.00 -0.80 1.01 0.00 0.00 176.76 176.97 1imx s ASN 26 N -5.42 0.75 0.02 4.37 -0.87 -1.26 -0.74 114.94 111.78 1imx s ASN 26 Ca -0.03 -0.09 -0.30 0.00 -1.57 0.00 0.00 52.86 50.86 1imx s ASN 26 Cb 0.10 -0.37 -0.07 0.00 -0.02 0.00 0.00 41.25 40.89 1imx s ASN 26 CO 0.82 -0.07 1.55 -0.54 -2.57 0.00 0.00 177.10 176.29 1imx s LYS 27 N 0.92 4.23 0.56 -0.60 1.02 -1.26 -4.96 119.74 119.65 1imx s LYS 27 Ca -0.11 2.15 -0.20 0.00 0.02 0.00 0.00 55.97 57.83 1imx s LYS 27 Cb -0.14 -3.65 -0.06 0.00 -0.52 0.00 0.00 37.83 33.46 1imx s LYS 27 CO -0.00 -0.69 1.09 -0.35 -0.92 0.00 0.00 175.35 174.48 1imx n PRO 28 N 5.75 1.19 0.00 -1.68 -0.04 -1.26 -4.94 135.00 134.03 1imx n PRO 28 Ca 0.15 0.45 -0.11 0.00 -0.04 0.00 0.00 63.50 63.95 1imx n PRO 28 Cb 0.42 -2.27 -0.14 0.00 -0.04 0.00 0.00 33.50 31.47 1imx n PRO 28 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 1imx h THR 29 N 0.91 0.95 -1.55 0.52 1.35 -2.05 -3.51 112.91 109.53 1imx h THR 29 Ca -0.49 -2.75 0.16 0.00 -0.55 0.00 0.00 66.41 62.79 1imx h THR 29 Cb 1.34 2.52 -0.08 0.00 -1.73 0.00 0.00 68.15 70.20 1imx h THR 29 CO 0.54 0.64 -0.50 0.61 -0.25 0.00 0.00 175.52 176.55 1imx n GLY 30 N 1.60 -2.65 3.82 5.82 0.00 -1.26 -4.59 105.19 107.93 1imx n GLY 30 Ca -0.17 -1.29 -0.32 0.00 0.00 0.00 0.00 46.02 44.24 1imx n GLY 30 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1imx s TYR 31 N -3.13 3.19 -1.71 1.61 1.51 -1.26 -3.89 117.35 113.67 1imx s TYR 31 Ca 0.00 1.50 0.00 0.00 -1.01 0.00 0.00 57.07 57.56 1imx s TYR 31 Cb 0.00 -2.92 0.00 0.00 -0.11 0.00 0.00 41.96 38.93 1imx s TYR 31 CO 0.00 -0.78 0.00 0.41 -1.11 0.00 0.00 175.55 174.07 1imx n GLY 32 N -1.20 -0.29 3.83 0.71 0.00 -1.26 -4.97 105.19 102.00 1imx n GLY 32 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 1imx n GLY 32 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1imx s SER 33 N -2.10 6.13 -0.35 1.61 0.15 -1.25 -5.27 113.70 112.62 1imx s SER 33 Ca 0.00 1.64 0.14 0.00 0.70 0.00 0.00 55.95 58.43 1imx s SER 33 Cb 0.00 -2.51 0.45 0.00 -1.71 0.00 0.00 66.02 62.25 1imx s SER 33 CO 0.00 -0.93 1.04 -1.20 1.20 0.00 0.00 173.24 173.35 1imx n SER 34 N -2.08 2.77 0.00 5.45 7.64 -1.26 -5.15 113.62 120.99 1imx n SER 34 Ca 0.07 -3.04 0.00 0.00 1.01 0.00 0.00 58.87 56.92 1imx n SER 34 Cb 0.54 -0.49 0.00 0.00 -1.01 0.00 0.00 64.21 63.25 1imx n SER 34 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1imx n THR 41 N -0.30 0.00 -3.37 0.44 -2.24 -1.26 -5.27 114.28 102.27 1imx n THR 41 Ca 0.21 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.99 1imx n THR 41 Cb 0.78 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.01 1imx n THR 41 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1imx n GLY 42 N 0.00 3.17 0.23 3.38 0.00 -1.26 -4.70 105.19 106.01 1imx n GLY 42 Ca 0.00 -1.31 0.04 0.00 0.00 0.00 0.00 46.02 44.75 1imx n GLY 42 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1imx h ILE 43 N 0.86 1.15 -0.56 -0.61 2.10 -1.27 -2.07 117.51 117.11 1imx h ILE 43 Ca 0.00 -0.68 -0.06 0.00 1.08 0.00 0.00 64.86 65.20 1imx h ILE 43 Cb 0.00 1.24 -0.02 0.00 -1.09 0.00 0.00 36.82 36.95 1imx h ILE 43 CO 0.00 0.20 0.12 0.58 -1.08 0.00 0.00 178.15 177.97 1imx h VAL 44 N 0.13 1.25 -0.47 2.19 2.07 -1.95 0.49 116.25 119.96 1imx h VAL 44 Ca 0.03 -0.92 -0.04 0.00 0.82 0.00 0.00 66.70 66.59 1imx h VAL 44 Cb 0.33 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 1imx h VAL 44 CO 0.02 0.34 0.13 0.44 0.02 0.00 0.00 177.57 178.52 1imx h ASP 45 N 0.82 0.70 0.52 0.57 3.32 -1.85 -0.19 116.42 120.31 1imx h ASP 45 Ca 0.18 -0.22 -0.29 0.00 0.02 0.00 0.00 57.03 56.71 1imx h ASP 45 Cb 0.37 -0.18 0.01 0.00 0.22 0.00 0.00 39.33 39.75 1imx h ASP 45 CO 0.01 0.74 -1.33 -0.08 -1.72 0.00 0.00 179.24 176.85 1imx h GLU 46 N 0.62 0.35 0.00 3.56 4.81 -1.18 -3.16 114.58 119.58 1imx h GLU 46 Ca 0.15 -0.59 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 1imx h GLU 46 Cb 0.30 0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.90 1imx h GLU 46 CO -0.00 1.28 -0.95 0.00 -0.73 0.00 0.00 179.01 178.61 1imx h PHE 49 N -0.69 0.00 -2.99 0.00 0.05 -1.24 -3.42 116.94 108.65 1imx h PHE 49 Ca -0.45 0.00 -0.44 0.00 3.82 0.00 0.00 57.97 60.90 1imx h PHE 49 Cb 1.37 0.00 -0.14 0.00 2.00 0.00 0.00 35.95 39.18 1imx h PHE 49 CO -0.08 0.54 -0.65 1.03 -0.18 0.00 0.00 178.31 178.97 1imx s ARG 50 N -3.76 1.49 -0.06 1.51 0.52 -1.19 -5.05 118.95 112.42 1imx s ARG 50 Ca -0.02 -1.78 -0.16 0.00 -0.52 0.00 0.00 55.73 53.25 1imx s ARG 50 Cb 0.13 -0.84 -0.05 0.00 0.52 0.00 0.00 34.95 34.71 1imx s ARG 50 CO 0.75 -0.09 0.42 -1.54 0.02 0.00 0.00 175.30 174.86 1imx s SER 51 N -3.40 6.73 0.14 0.23 1.04 -1.25 -3.49 113.70 113.71 1imx s SER 51 Ca 0.31 0.87 0.07 0.00 0.48 0.00 0.00 55.95 57.68 1imx s SER 51 Cb 0.06 -2.26 -0.04 0.00 0.10 0.00 0.00 66.02 63.88 1imx s SER 51 CO 0.12 0.18 -0.15 0.00 0.98 0.00 0.00 173.24 174.37 1imx s ASP 53 N -2.65 5.46 0.25 0.00 1.47 -1.26 -4.91 116.67 115.03 1imx s ASP 53 Ca 0.13 -0.01 -0.04 0.00 1.18 0.00 0.00 52.55 53.80 1imx s ASP 53 Cb -0.04 -0.99 0.49 0.00 -0.34 0.00 0.00 42.92 42.04 1imx s ASP 53 CO 0.04 -0.98 1.70 0.25 0.68 0.00 0.00 175.17 176.86 1imx h LEU 54 N 0.24 0.10 -0.38 2.11 5.85 -2.01 -1.59 115.31 119.63 1imx h LEU 54 Ca -0.43 0.14 0.06 0.00 0.84 0.00 0.00 57.88 58.49 1imx h LEU 54 Cb 1.28 0.17 -0.06 0.00 0.37 0.00 0.00 40.66 42.43 1imx h LEU 54 CO 0.52 -0.00 0.04 -0.09 -0.34 0.00 0.00 178.44 178.57 1imx h ARG 55 N 0.32 0.15 -0.55 1.25 2.43 -1.99 -0.44 114.38 115.55 1imx h ARG 55 Ca 0.43 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.50 1imx h ARG 55 Cb 0.73 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.22 1imx h ARG 55 CO -0.49 0.10 -0.00 0.00 -1.51 0.00 0.00 179.97 178.06 1imx h ARG 56 N 0.15 0.97 -0.44 0.20 2.47 -1.75 -3.02 114.38 112.95 1imx h ARG 56 Ca 0.18 -0.31 0.02 0.00 -1.26 0.00 0.00 59.98 58.61 1imx h ARG 56 Cb 0.24 -0.09 -0.03 0.00 -1.65 0.00 0.00 29.97 28.44 1imx h ARG 56 CO -0.27 0.98 0.26 1.25 0.56 0.00 0.00 179.97 182.75 1imx h LEU 57 N 0.85 0.42 -1.59 3.04 5.85 -0.77 -2.22 115.31 120.88 1imx h LEU 57 Ca 0.15 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.88 1imx h LEU 57 Cb 0.54 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.49 1imx h LEU 57 CO 0.03 0.30 0.00 -0.08 -0.34 0.00 0.00 178.44 178.35 1imx h GLU 58 N 0.53 0.00 0.00 1.25 4.81 -0.97 -1.93 114.58 118.26 1imx h GLU 58 Ca 0.18 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1imx h GLU 58 Cb 0.01 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.39 1imx h GLU 58 CO -0.08 0.00 0.00 -1.33 -0.73 0.00 0.00 179.01 176.87 1imx n MET 59 N -2.58 0.09 -0.12 1.92 2.81 -0.84 -2.09 117.12 116.31 1imx n MET 59 Ca -0.01 0.34 0.11 0.00 -1.81 0.00 0.00 57.70 56.34 1imx n MET 59 Cb 0.14 -1.68 0.31 0.00 -0.71 0.00 0.00 33.22 31.28 1imx n MET 59 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1imx n TYR 60 N -1.85 0.31 -2.75 2.03 4.02 -0.73 -4.89 117.16 113.31 1imx n TYR 60 Ca 0.03 -0.16 -0.40 0.00 -0.01 0.00 0.00 57.90 57.36 1imx n TYR 60 Cb 0.19 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.45 1imx n TYR 60 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1imx s ALA 62 N -0.92 1.72 0.78 0.00 0.00 0.33 -4.90 121.76 118.77 1imx s ALA 62 Ca 0.42 -0.05 -0.11 0.00 0.00 0.00 0.00 51.96 52.22 1imx s ALA 62 Cb -0.25 -3.19 0.06 0.00 0.00 0.00 0.00 23.12 19.74 1imx s ALA 62 CO 0.31 -2.20 1.08 -1.25 0.00 0.00 0.00 175.76 173.70 1imx s PRO 63 N -4.96 2.24 0.00 0.00 0.04 -1.26 -4.73 135.00 126.32 1imx s PRO 63 Ca 0.63 0.83 0.26 0.00 0.04 0.00 0.00 61.00 62.76 1imx s PRO 63 Cb -0.17 -1.92 1.56 0.00 0.04 0.00 0.00 34.50 34.00 1imx s PRO 63 CO 0.56 -1.56 1.91 1.28 0.04 0.00 0.00 177.00 179.23