#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dsq s GLU 3 N 0.00 1.24 0.20 0.54 -1.05 -1.26 -5.04 118.70 113.34 2dsq s GLU 3 Ca 0.00 -1.54 0.07 0.00 -0.15 0.00 0.00 54.97 53.35 2dsq s GLU 3 Cb 0.00 -0.98 -0.05 0.00 -0.44 0.00 0.00 34.13 32.67 2dsq s GLU 3 CO 0.00 0.16 -0.14 0.95 0.95 0.00 0.00 175.26 177.18 2dsq s THR 4 N -3.04 1.67 -0.16 1.83 -4.23 -1.26 -0.25 115.64 110.19 2dsq s THR 4 Ca 0.20 -2.19 -0.15 0.00 -1.18 0.00 0.00 61.69 58.37 2dsq s THR 4 Cb 0.00 -2.04 0.04 0.00 1.34 0.00 0.00 72.50 71.84 2dsq s THR 4 CO 0.05 -0.60 0.44 -0.76 -0.54 0.00 0.00 174.62 173.21 2dsq s LEU 5 N -3.31 0.32 0.00 4.79 1.43 -0.20 -4.94 118.68 116.78 2dsq s LEU 5 Ca 0.22 0.88 0.00 0.00 -1.03 0.00 0.00 54.13 54.20 2dsq s LEU 5 Cb -0.00 1.51 0.00 0.00 0.03 0.00 0.00 46.19 47.73 2dsq s LEU 5 CO 0.06 -0.16 0.00 0.00 0.23 0.00 0.00 176.35 176.49 2dsq n GLY 7 N 0.00 -0.28 0.35 0.00 0.00 -1.26 -3.74 105.19 100.26 2dsq n GLY 7 Ca 0.00 -1.05 0.18 0.00 0.00 0.00 0.00 46.02 45.15 2dsq n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dsq h ALA 8 N -0.21 1.90 -0.15 4.61 0.00 -2.01 -2.06 119.26 121.34 2dsq h ALA 8 Ca 0.00 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.71 2dsq h ALA 8 Cb 0.00 0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.82 2dsq h ALA 8 CO 0.00 -0.39 -0.65 0.93 0.00 0.00 0.00 179.25 179.14 2dsq h GLU 9 N 0.00 0.70 -0.13 0.00 5.08 -1.99 0.80 114.58 119.04 2dsq h GLU 9 Ca 0.12 -0.55 -0.00 0.00 -1.00 0.00 0.00 59.36 57.92 2dsq h GLU 9 Cb 0.64 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 2dsq h GLU 9 CO -0.00 1.17 0.06 1.25 -1.00 0.00 0.00 179.01 180.49 2dsq h LEU 10 N 0.39 0.17 -0.73 1.33 5.85 -1.49 0.21 115.31 121.04 2dsq h LEU 10 Ca -0.04 -0.12 0.08 0.00 0.84 0.00 0.00 57.88 58.64 2dsq h LEU 10 Cb 1.28 -0.04 -0.07 0.00 0.37 0.00 0.00 40.66 42.20 2dsq h LEU 10 CO 0.13 0.25 0.40 0.58 -0.34 0.00 0.00 178.44 179.46 2dsq h VAL 11 N 0.09 0.91 -0.46 1.05 2.07 -1.47 0.41 116.25 118.84 2dsq h VAL 11 Ca 0.05 -0.24 -0.06 0.00 0.82 0.00 0.00 66.70 67.26 2dsq h VAL 11 Cb 0.12 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.03 2dsq h VAL 11 CO -0.01 0.13 0.04 0.44 0.02 0.00 0.00 177.57 178.19 2dsq h ASP 12 N 0.69 0.77 0.30 0.57 3.32 -0.42 0.12 116.42 121.76 2dsq h ASP 12 Ca 0.35 -0.29 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 2dsq h ASP 12 Cb 0.31 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.66 2dsq h ASP 12 CO -0.23 0.86 -0.15 0.00 -1.72 0.00 0.00 179.24 178.00 2dsq h ALA 13 N 0.93 -0.41 -0.52 3.45 0.00 -0.06 -1.69 119.26 120.96 2dsq h ALA 13 Ca 0.14 -0.12 0.10 0.00 0.00 0.00 0.00 54.91 55.03 2dsq h ALA 13 Cb 0.45 0.16 -0.10 0.00 0.00 0.00 0.00 17.79 18.30 2dsq h ALA 13 CO 0.02 -0.68 -0.09 -0.07 0.00 0.00 0.00 179.25 178.43 2dsq h LEU 14 N -0.51 -0.41 -0.82 0.00 3.38 -0.11 -0.90 115.31 115.94 2dsq h LEU 14 Ca -0.04 0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 2dsq h LEU 14 Cb 0.38 0.29 -0.04 0.00 0.09 0.00 0.00 40.66 41.39 2dsq h LEU 14 CO 0.07 -0.15 0.50 1.56 0.09 0.00 0.00 178.44 180.51 2dsq h GLN 15 N 0.03 1.11 0.18 1.13 4.20 -0.89 -1.79 115.11 119.08 2dsq h GLN 15 Ca 0.25 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 58.86 2dsq h GLN 15 Cb 0.39 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 27.94 2dsq h GLN 15 CO -0.51 0.77 -0.08 0.35 -0.67 0.00 0.00 178.83 178.69 2dsq h PHE 16 N 1.12 -0.22 0.08 2.96 3.57 -0.45 0.55 116.94 124.55 2dsq h PHE 16 Ca 0.29 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.79 2dsq h PHE 16 Cb -0.06 0.07 0.00 0.00 2.79 0.00 0.00 35.95 38.76 2dsq h PHE 16 CO -0.01 -0.06 -0.04 0.28 -2.23 0.00 0.00 178.31 176.26 2dsq h VAL 17 N -0.33 1.02 -0.18 1.41 2.07 -1.02 -3.16 116.25 116.06 2dsq h VAL 17 Ca -0.02 -0.33 -0.21 0.00 0.82 0.00 0.00 66.70 66.96 2dsq h VAL 17 Cb 0.26 1.24 0.01 0.00 -1.52 0.00 0.00 31.29 31.27 2dsq h VAL 17 CO 0.04 0.08 -0.71 0.00 0.02 0.00 0.00 177.57 177.00 2dsq n GLY 19 N 0.58 1.74 0.00 0.00 0.00 0.19 -3.17 105.19 104.53 2dsq n GLY 19 Ca -0.06 -0.58 0.11 0.00 0.00 0.00 0.00 46.02 45.49 2dsq n GLY 19 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2dsq n ASP 20 N 3.49 0.00 0.25 1.61 8.00 -1.26 -2.73 116.55 125.92 2dsq n ASP 20 Ca 0.00 -0.46 0.14 0.00 0.71 0.00 0.00 54.79 55.17 2dsq n ASP 20 Cb 0.00 -0.10 0.61 0.00 -0.02 0.00 0.00 41.12 41.61 2dsq n ASP 20 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 2dsq h ARG 21 N 0.00 0.00 -1.20 -1.24 3.08 -1.90 -3.50 114.38 109.62 2dsq h ARG 21 Ca 0.00 0.00 0.13 0.00 0.07 0.00 0.00 59.98 60.18 2dsq h ARG 21 Cb 0.07 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.07 2dsq h ARG 21 CO 0.00 0.11 -0.31 0.41 -1.07 0.00 0.00 179.97 179.11 2dsq n GLY 22 N -0.05 -2.14 3.08 0.04 0.00 -1.11 -4.17 105.19 100.85 2dsq n GLY 22 Ca -0.00 -1.36 -0.11 0.00 0.00 0.00 0.00 46.02 44.55 2dsq n GLY 22 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2dsq s PHE 23 N -2.37 0.08 -0.18 1.61 -0.12 -1.26 -1.77 117.98 113.97 2dsq s PHE 23 Ca 0.00 -0.21 -0.08 0.00 -0.05 0.00 0.00 56.93 56.59 2dsq s PHE 23 Cb 0.00 -0.07 -0.04 0.00 -0.63 0.00 0.00 43.02 42.27 2dsq s PHE 23 CO 0.00 -0.27 0.09 0.71 -0.05 0.00 0.00 175.22 175.71 2dsq s TYR 24 N -1.39 3.34 0.35 3.49 1.51 0.74 -4.91 117.35 120.48 2dsq s TYR 24 Ca -0.15 0.22 0.11 0.00 -1.01 0.00 0.00 57.07 56.25 2dsq s TYR 24 Cb -0.08 -2.08 0.63 0.00 -0.11 0.00 0.00 41.96 40.32 2dsq s TYR 24 CO 0.01 0.28 1.78 0.74 -1.11 0.00 0.00 175.55 177.25 2dsq h PHE 25 N 6.45 0.06 -3.25 2.71 0.05 -2.02 -3.43 116.94 117.51 2dsq h PHE 25 Ca -0.41 -0.01 -0.45 0.00 3.82 0.00 0.00 57.97 60.92 2dsq h PHE 25 Cb 1.17 -0.01 -0.38 0.00 2.00 0.00 0.00 35.95 38.73 2dsq h PHE 25 CO 0.59 0.44 -0.77 -0.80 -0.18 0.00 0.00 178.31 177.59 2dsq s ASN 26 N -6.91 1.65 -0.00 2.17 -0.87 -1.26 -2.41 114.94 107.31 2dsq s ASN 26 Ca -0.03 -0.12 0.00 0.00 -1.57 0.00 0.00 52.86 51.14 2dsq s ASN 26 Cb 0.14 -0.51 -0.01 0.00 -0.02 0.00 0.00 41.25 40.85 2dsq s ASN 26 CO 0.74 -0.17 0.01 2.29 -2.57 0.00 0.00 177.10 177.40 2dsq n LYS 27 N 5.05 1.18 -4.45 -0.60 -0.00 -1.26 -5.10 118.16 112.97 2dsq n LYS 27 Ca -0.09 -0.00 -0.23 0.00 -0.00 0.00 0.00 58.31 57.99 2dsq n LYS 27 Cb 0.50 -0.93 -0.10 0.00 -0.00 0.00 0.00 35.03 34.50 2dsq n LYS 27 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 2dsq s GLY 42 N -1.88 1.81 0.23 2.58 0.00 -1.26 -5.17 107.32 103.63 2dsq s GLY 42 Ca -0.00 -1.84 -0.06 0.00 0.00 0.00 0.00 44.72 42.82 2dsq s GLY 42 CO 0.02 -1.93 1.78 1.19 0.00 0.00 0.00 173.10 174.16 2dsq h ILE 43 N 2.32 1.25 0.17 0.90 6.09 -1.79 -1.90 117.51 124.55 2dsq h ILE 43 Ca -0.40 -0.85 0.01 0.00 -1.37 0.00 0.00 64.86 62.25 2dsq h ILE 43 Cb 1.25 0.47 -0.02 0.00 0.47 0.00 0.00 36.82 38.99 2dsq h ILE 43 CO 0.61 0.33 -0.20 0.58 -3.07 0.00 0.00 178.15 176.40 2dsq h VAL 44 N 1.03 0.55 -0.97 2.19 2.07 -1.95 0.46 116.25 119.63 2dsq h VAL 44 Ca 0.23 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.80 2dsq h VAL 44 Cb 0.27 0.55 -0.06 0.00 -1.52 0.00 0.00 31.29 30.54 2dsq h VAL 44 CO -0.01 0.00 0.63 -0.78 0.02 0.00 0.00 177.57 177.43 2dsq h ASP 45 N -0.42 1.02 0.36 0.57 3.58 -1.89 -1.33 116.42 118.31 2dsq h ASP 45 Ca 0.01 0.00 -0.26 0.00 0.42 0.00 0.00 57.03 57.20 2dsq h ASP 45 Cb 0.41 -0.22 0.01 0.00 1.72 0.00 0.00 39.33 41.25 2dsq h ASP 45 CO -0.07 0.67 -1.12 -0.08 -2.88 0.00 0.00 179.24 175.75 2dsq h GLU 46 N 1.16 0.43 0.05 0.28 4.81 -1.09 -3.21 114.58 117.02 2dsq h GLU 46 Ca 0.41 -0.57 -0.24 0.00 -0.13 0.00 0.00 59.36 58.83 2dsq h GLU 46 Cb 0.12 0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 2dsq h GLU 46 CO -0.15 1.22 -1.13 0.00 -0.73 0.00 0.00 179.01 178.23 2dsq n PHE 49 N -3.91 0.00 0.00 0.00 3.72 -1.21 -4.68 117.46 111.38 2dsq n PHE 49 Ca -0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 2dsq n PHE 49 Cb 0.73 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.27 2dsq n PHE 49 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 176.76 174.58 2dsq n ARG 50 N -1.90 0.00 -3.63 -1.08 0.63 -0.70 -5.08 116.66 104.90 2dsq n ARG 50 Ca 0.00 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 56.81 2dsq n ARG 50 Cb 0.45 -0.06 -0.07 0.00 0.45 0.00 0.00 32.46 33.24 2dsq n ARG 50 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 2dsq s SER 51 N -1.00 -0.65 -0.00 6.15 1.04 0.44 -4.84 113.70 114.84 2dsq s SER 51 Ca 0.00 1.25 0.08 0.00 0.48 0.00 0.00 55.95 57.76 2dsq s SER 51 Cb 0.00 1.27 -0.02 0.00 0.10 0.00 0.00 66.02 67.37 2dsq s SER 51 CO 0.00 -0.22 -0.25 0.00 0.98 0.00 0.00 173.24 173.75 2dsq s ASP 53 N -0.76 -0.27 0.10 0.00 -4.77 -1.26 -4.52 116.67 105.19 2dsq s ASP 53 Ca 0.10 -0.42 -0.31 0.00 -3.30 0.00 0.00 52.55 48.61 2dsq s ASP 53 Cb -0.10 0.60 -0.12 0.00 -1.09 0.00 0.00 42.92 42.22 2dsq s ASP 53 CO -0.00 -1.10 1.60 -0.07 0.70 0.00 0.00 175.17 176.30 2dsq h LEU 54 N 2.00 -1.08 -1.32 2.11 3.38 -2.00 -0.12 115.31 118.29 2dsq h LEU 54 Ca -0.23 0.10 0.17 0.00 0.09 0.00 0.00 57.88 58.02 2dsq h LEU 54 Cb 1.25 0.38 -0.08 0.00 0.09 0.00 0.00 40.66 42.30 2dsq h LEU 54 CO 0.26 -0.50 0.59 -0.09 0.09 0.00 0.00 178.44 178.79 2dsq h ARG 55 N -0.72 0.58 -0.06 1.13 1.12 -2.00 -0.25 114.38 114.19 2dsq h ARG 55 Ca -0.01 -0.03 -0.02 0.00 -1.11 0.00 0.00 59.98 58.80 2dsq h ARG 55 Cb 0.68 -0.13 -0.00 0.00 -0.01 0.00 0.00 29.97 30.51 2dsq h ARG 55 CO -0.13 0.38 -0.05 -0.09 -3.11 0.00 0.00 179.97 176.97 2dsq h ARG 56 N 0.60 0.15 -0.07 0.20 2.43 -1.87 -3.20 114.38 112.62 2dsq h ARG 56 Ca 0.48 -0.07 0.02 0.00 -0.81 0.00 0.00 59.98 59.60 2dsq h ARG 56 Cb 0.92 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.47 2dsq h ARG 56 CO -0.23 0.57 0.06 -0.07 -1.51 0.00 0.00 179.97 178.80 2dsq h LEU 57 N -0.28 0.00 -0.45 3.80 3.38 0.29 -3.04 115.31 119.02 2dsq h LEU 57 Ca 0.01 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 2dsq h LEU 57 Cb 0.54 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 2dsq h LEU 57 CO 0.01 0.00 -0.04 -0.08 0.09 0.00 0.00 178.44 178.42 2dsq h GLU 58 N 0.00 0.82 0.00 1.13 4.57 -1.09 -3.13 114.58 116.88 2dsq h GLU 58 Ca 0.03 -0.28 0.00 0.00 -1.18 0.00 0.00 59.36 57.93 2dsq h GLU 58 Cb 0.15 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.68 2dsq h GLU 58 CO -0.00 0.90 0.00 0.52 -1.18 0.00 0.00 179.01 179.25 2dsq h MET 59 N 0.66 0.00 -0.59 1.92 2.86 -1.60 -2.00 114.93 116.18 2dsq h MET 59 Ca 0.12 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 2dsq h MET 59 Cb 0.56 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.22 2dsq h MET 59 CO 0.03 0.00 0.00 0.66 1.06 0.00 0.00 176.91 178.66 2dsq n TYR 60 N -2.77 1.63 -3.65 -0.22 4.02 -1.18 -4.90 117.16 110.09 2dsq n TYR 60 Ca -0.02 -0.67 -0.34 0.00 -0.01 0.00 0.00 57.90 56.86 2dsq n TYR 60 Cb 0.10 -0.33 -0.05 0.00 -0.02 0.00 0.00 39.34 39.03 2dsq n TYR 60 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2dsq s ALA 62 N -1.37 2.73 0.57 0.00 0.00 -0.73 -4.87 121.76 118.09 2dsq s ALA 62 Ca 0.31 1.20 -0.19 0.00 0.00 0.00 0.00 51.96 53.28 2dsq s ALA 62 Cb -0.14 -3.52 -0.06 0.00 0.00 0.00 0.00 23.12 19.40 2dsq s ALA 62 CO 0.18 -1.27 0.91 -2.30 0.00 0.00 0.00 175.76 173.28 2dsq n PRO 63 N -1.17 0.93 0.00 0.00 -0.02 -1.26 -4.87 135.00 128.60 2dsq n PRO 63 Ca 0.11 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 2dsq n PRO 63 Cb 0.47 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 2dsq n PRO 63 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76