#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ldm n PRO 2 N 0.00 -0.16 -0.15 2.89 -0.02 -1.26 -4.92 135.00 131.37 3ldm n PRO 2 Ca 0.00 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.42 3ldm n PRO 2 Cb 0.00 -1.97 0.11 0.00 -0.02 0.00 0.00 33.50 31.61 3ldm n PRO 2 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3ldm h ASP 3 N -1.34 0.88 0.08 2.55 3.45 -2.03 -3.00 116.42 117.01 3ldm h ASP 3 Ca -0.44 -0.23 -0.01 0.00 0.43 0.00 0.00 57.03 56.79 3ldm h ASP 3 Cb 1.29 -0.23 -0.00 0.00 -0.56 0.00 0.00 39.33 39.83 3ldm h ASP 3 CO 0.38 0.93 -0.04 2.19 -1.57 0.00 0.00 179.24 181.13 3ldm h PHE 4 N 0.84 0.00 0.00 4.55 -5.15 -1.98 -1.00 116.94 114.20 3ldm h PHE 4 Ca 0.16 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.93 3ldm h PHE 4 Cb 0.49 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.66 3ldm h PHE 4 CO 0.03 0.04 0.12 0.00 -2.00 0.00 0.00 178.31 176.50 3ldm n LEU 6 N -1.10 0.00 -4.47 0.00 4.77 -0.38 -4.51 117.00 111.31 3ldm n LEU 6 Ca 0.00 0.00 -0.49 0.00 -0.03 0.00 0.00 56.01 55.49 3ldm n LEU 6 Cb 0.12 0.24 -0.04 0.00 -2.33 0.00 0.00 43.42 41.41 3ldm n LEU 6 CO 0.00 0.24 0.27 -0.62 -1.33 0.00 0.00 177.39 175.95 3ldm n GLU 7 N -2.37 0.40 -1.55 3.23 -0.58 -0.25 -4.90 120.64 114.63 3ldm n GLU 7 Ca -0.17 0.14 -0.31 0.00 -0.42 0.00 0.00 57.16 56.40 3ldm n GLU 7 Cb 0.78 -1.34 0.06 0.00 -0.57 0.00 0.00 31.44 30.37 3ldm n GLU 7 CO 0.00 0.00 0.00 -2.14 -0.48 0.00 0.00 177.13 174.51 3ldm s PRO 8 N -0.89 2.77 0.51 3.49 0.02 -1.26 -4.94 135.00 134.69 3ldm s PRO 8 Ca 0.68 1.08 -0.22 0.00 0.02 0.00 0.00 61.00 62.56 3ldm s PRO 8 Cb -0.92 -1.96 -0.06 0.00 0.02 0.00 0.00 34.50 31.58 3ldm s PRO 8 CO 0.56 -1.24 1.27 -1.25 -0.33 0.00 0.00 177.00 176.01 3ldm s PRO 9 N -4.81 3.40 -0.18 5.54 0.04 -1.26 -4.98 135.00 132.74 3ldm s PRO 9 Ca 0.60 2.02 0.01 0.00 0.04 0.00 0.00 61.00 63.67 3ldm s PRO 9 Cb -0.16 -2.31 0.03 0.00 0.04 0.00 0.00 34.50 32.11 3ldm s PRO 9 CO 0.52 -0.92 -0.12 -0.47 0.04 0.00 0.00 177.00 176.05 3ldm s TYR 10 N -1.42 2.40 0.08 0.56 5.04 -1.26 -5.01 117.35 117.74 3ldm s TYR 10 Ca 0.68 -1.50 -0.15 0.00 -2.44 0.00 0.00 57.07 53.66 3ldm s TYR 10 Cb -0.35 -1.66 -0.14 0.00 0.35 0.00 0.00 41.96 40.16 3ldm s TYR 10 CO 0.41 -0.73 1.31 1.15 -1.34 0.00 0.00 175.55 176.36 3ldm h THR 11 N 6.26 1.31 0.00 4.34 2.02 -1.95 -3.43 112.91 121.46 3ldm h THR 11 Ca -0.32 -1.80 0.00 0.00 0.77 0.00 0.00 66.41 65.05 3ldm h THR 11 Cb 1.11 1.94 0.00 0.00 -1.74 0.00 0.00 68.15 69.46 3ldm h THR 11 CO 0.51 0.57 0.00 0.61 0.37 0.00 0.00 175.52 177.57 3ldm n GLY 12 N 0.57 -0.42 0.01 2.16 0.00 -1.26 0.36 105.19 106.60 3ldm n GLY 12 Ca -0.07 -1.72 0.15 0.00 0.00 0.00 0.00 46.02 44.39 3ldm n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3ldm n PRO 13 N -0.38 0.54 -2.04 1.61 -0.04 -1.26 -4.69 135.00 128.74 3ldm n PRO 13 Ca 0.00 -0.02 -0.28 0.00 -0.04 0.00 0.00 63.50 63.16 3ldm n PRO 13 Cb 0.00 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.05 3ldm n PRO 13 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3ldm n LYS 15 N -3.18 1.12 -1.55 0.00 2.85 -0.88 -4.55 118.16 111.96 3ldm n LYS 15 Ca 0.09 -0.83 -0.29 0.00 -1.05 0.00 0.00 58.31 56.22 3ldm n LYS 15 Cb 0.61 -1.48 0.12 0.00 -0.65 0.00 0.00 35.03 33.63 3ldm n LYS 15 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3ldm s ALA 16 N -2.45 1.90 -0.44 0.58 0.00 0.53 -5.03 121.76 116.85 3ldm s ALA 16 Ca 0.22 -0.46 0.06 0.00 0.00 0.00 0.00 51.96 51.78 3ldm s ALA 16 Cb 0.19 -3.05 0.21 0.00 0.00 0.00 0.00 23.12 20.47 3ldm s ALA 16 CO 0.53 -2.15 0.47 0.54 0.00 0.00 0.00 175.76 175.15 3ldm n ARG 17 N -3.68 0.74 -4.29 0.00 1.74 -1.26 -4.16 116.66 105.74 3ldm n ARG 17 Ca 0.07 -3.42 -0.35 0.00 -0.77 0.00 0.00 57.85 53.38 3ldm n ARG 17 Cb 0.59 -1.56 -0.10 0.00 -1.02 0.00 0.00 32.46 30.37 3ldm n ARG 17 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3ldm s ILE 18 N -0.82 4.41 0.15 0.55 -1.09 -0.85 -4.91 121.20 118.63 3ldm s ILE 18 Ca 0.34 -0.20 -0.30 0.00 -2.23 0.00 0.00 60.65 58.26 3ldm s ILE 18 Cb 0.10 -2.89 -0.08 0.00 -1.58 0.00 0.00 42.46 38.02 3ldm s ILE 18 CO -0.14 0.58 1.29 -0.63 -1.23 0.00 0.00 174.94 174.80 3ldm s ILE 19 N -0.59 3.46 0.16 2.92 -1.09 -1.26 -1.10 121.20 123.71 3ldm s ILE 19 Ca 0.10 1.13 0.01 0.00 -2.23 0.00 0.00 60.65 59.66 3ldm s ILE 19 Cb -0.12 -3.73 -0.04 0.00 -1.58 0.00 0.00 42.46 36.99 3ldm s ILE 19 CO 0.02 0.14 0.02 -0.13 -1.23 0.00 0.00 174.94 173.76 3ldm s ARG 20 N 0.40 1.05 0.08 2.79 1.81 -0.72 -4.91 118.95 119.44 3ldm s ARG 20 Ca 0.58 -1.51 0.06 0.00 -1.72 0.00 0.00 55.73 53.15 3ldm s ARG 20 Cb -0.34 -0.10 -0.04 0.00 -0.45 0.00 0.00 34.95 34.02 3ldm s ARG 20 CO 0.34 -0.18 -0.10 0.71 -0.68 0.00 0.00 175.30 175.40 3ldm s TYR 21 N -3.79 2.76 0.06 -0.53 2.02 0.20 -1.00 117.35 117.08 3ldm s TYR 21 Ca 0.24 -0.14 0.04 0.00 -0.37 0.00 0.00 57.07 56.84 3ldm s TYR 21 Cb 0.07 -1.48 -0.03 0.00 -0.40 0.00 0.00 41.96 40.12 3ldm s TYR 21 CO 0.03 0.40 -0.11 -0.59 -1.57 0.00 0.00 175.55 173.71 3ldm s PHE 22 N -1.14 0.99 -0.08 2.71 -0.71 -0.66 0.14 117.98 119.22 3ldm s PHE 22 Ca 0.20 -0.50 -0.29 0.00 -1.04 0.00 0.00 56.93 55.30 3ldm s PHE 22 Cb -0.11 -0.56 -0.02 0.00 -1.21 0.00 0.00 43.02 41.12 3ldm s PHE 22 CO 0.12 -0.00 0.97 -0.47 -1.34 0.00 0.00 175.22 174.49 3ldm s TYR 23 N -1.46 3.55 -0.42 3.49 5.04 -1.26 -0.29 117.35 125.99 3ldm s TYR 23 Ca -0.04 1.58 -0.13 0.00 -2.44 0.00 0.00 57.07 56.04 3ldm s TYR 23 Cb -0.09 -3.14 0.05 0.00 0.35 0.00 0.00 41.96 39.14 3ldm s TYR 23 CO 0.01 -0.15 0.30 1.21 -1.34 0.00 0.00 175.55 175.58 3ldm s ASN 24 N 1.06 5.90 0.18 4.32 3.84 0.42 -4.78 114.94 125.88 3ldm s ASN 24 Ca 0.48 -1.22 -0.12 0.00 0.21 0.00 0.00 52.86 52.21 3ldm s ASN 24 Cb -0.19 -2.09 0.08 0.00 -0.55 0.00 0.00 41.25 38.50 3ldm s ASN 24 CO 0.20 -0.52 1.75 0.00 -2.79 0.00 0.00 177.10 175.74 3ldm h ALA 25 N 8.56 0.78 -1.91 1.71 0.00 -1.83 0.31 119.26 126.89 3ldm h ALA 25 Ca -0.26 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3ldm h ALA 25 Cb 1.10 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3ldm h ALA 25 CO 0.77 0.36 0.00 1.63 0.00 0.00 0.00 179.25 182.01 3ldm n LYS 26 N -4.49 0.00 0.19 0.00 4.01 -1.26 -2.41 118.16 114.20 3ldm n LYS 26 Ca 0.04 0.44 0.18 0.00 -0.51 0.00 0.00 58.31 58.46 3ldm n LYS 26 Cb 0.14 -1.18 0.78 0.00 -0.51 0.00 0.00 35.03 34.25 3ldm n LYS 26 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3ldm h ALA 27 N -1.81 1.80 -1.53 7.82 0.00 -2.00 -3.45 119.26 120.08 3ldm h ALA 27 Ca 0.00 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.69 3ldm h ALA 27 Cb 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3ldm h ALA 27 CO 0.00 -0.51 -0.28 0.41 0.00 0.00 0.00 179.25 178.87 3ldm n GLY 28 N -1.38 -0.06 3.20 0.00 0.00 0.07 -5.04 105.19 101.97 3ldm n GLY 28 Ca 0.03 -0.44 -0.09 0.00 0.00 0.00 0.00 46.02 45.53 3ldm n GLY 28 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3ldm s LEU 29 N -3.09 1.65 0.27 0.99 0.05 -1.03 -4.97 118.68 112.55 3ldm s LEU 29 Ca 0.00 -0.94 -0.27 0.00 0.05 0.00 0.00 54.13 52.97 3ldm s LEU 29 Cb 0.00 0.68 -0.09 0.00 -2.05 0.00 0.00 46.19 44.73 3ldm s LEU 29 CO 0.00 -0.74 0.91 0.00 -0.55 0.00 0.00 176.35 175.97 3ldm s GLN 31 N -1.62 1.33 0.45 0.00 -0.21 0.60 -4.91 119.66 115.29 3ldm s GLN 31 Ca 0.45 -1.72 -0.07 0.00 0.02 0.00 0.00 55.36 54.04 3ldm s GLN 31 Cb -0.22 0.23 -0.05 0.00 1.00 0.00 0.00 33.01 33.98 3ldm s GLN 31 CO 0.27 -0.43 0.77 0.95 -2.12 0.00 0.00 175.29 174.72 3ldm s THR 32 N -3.98 4.88 0.33 -0.19 -4.23 -1.26 -1.66 115.64 109.53 3ldm s THR 32 Ca 0.39 0.33 -0.13 0.00 -1.18 0.00 0.00 61.69 61.10 3ldm s THR 32 Cb 0.06 -3.82 0.02 0.00 1.34 0.00 0.00 72.50 70.11 3ldm s THR 32 CO 0.15 -0.71 0.64 0.72 -0.54 0.00 0.00 174.62 174.88 3ldm s PHE 33 N -2.59 0.35 -0.23 3.99 -0.71 -0.17 -4.87 117.98 113.75 3ldm s PHE 33 Ca 0.48 -0.82 -0.08 0.00 -1.04 0.00 0.00 56.93 55.48 3ldm s PHE 33 Cb -0.10 0.46 -0.04 0.00 -1.21 0.00 0.00 43.02 42.13 3ldm s PHE 33 CO 0.40 -1.30 0.08 0.08 -1.34 0.00 0.00 175.22 173.14 3ldm s VAL 34 N -3.09 4.62 -0.06 -2.49 1.01 -1.26 -1.76 120.40 117.36 3ldm s VAL 34 Ca 0.20 -0.08 -0.02 0.00 0.00 0.00 0.00 61.98 62.08 3ldm s VAL 34 Cb -0.03 -3.14 -0.04 0.00 0.00 0.00 0.00 36.38 33.17 3ldm s VAL 34 CO 0.12 0.37 0.03 -0.47 0.00 0.00 0.00 175.10 175.16 3ldm s TYR 35 N 1.18 3.23 -2.30 5.22 5.04 -0.26 -4.36 117.35 125.10 3ldm s TYR 35 Ca 0.05 0.22 0.27 0.00 -2.44 0.00 0.00 57.07 55.17 3ldm s TYR 35 Cb -0.14 -1.78 0.81 0.00 0.35 0.00 0.00 41.96 41.19 3ldm s TYR 35 CO 0.04 0.52 1.60 0.41 -1.34 0.00 0.00 175.55 176.78 3ldm n GLY 36 N 1.82 -0.07 0.00 8.97 0.00 0.16 -2.01 105.19 114.05 3ldm n GLY 36 Ca -0.17 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.38 3ldm n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ldm n GLY 37 N 1.26 1.95 3.25 -0.02 0.00 -1.26 -0.35 105.19 110.02 3ldm n GLY 37 Ca 0.16 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.07 3ldm n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ldm n ARG 39 N 0.32 -6.80 -2.06 0.00 1.74 -1.26 -4.51 116.66 104.09 3ldm n ARG 39 Ca -0.17 0.85 -0.39 0.00 -0.77 0.00 0.00 57.85 57.36 3ldm n ARG 39 Cb 0.61 -5.87 -0.00 0.00 -1.02 0.00 0.00 32.46 26.17 3ldm n ARG 39 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3ldm s ALA 40 N -3.36 3.24 0.66 7.54 0.00 -1.26 -4.81 121.76 123.77 3ldm s ALA 40 Ca 0.07 1.22 -0.03 0.00 0.00 0.00 0.00 51.96 53.22 3ldm s ALA 40 Cb -0.03 -3.48 0.06 0.00 0.00 0.00 0.00 23.12 19.67 3ldm s ALA 40 CO 0.73 -0.82 0.93 0.15 0.00 0.00 0.00 175.76 176.75 3ldm s LYS 41 N -2.26 2.23 0.46 0.00 1.02 -1.26 -5.01 119.74 114.92 3ldm s LYS 41 Ca 0.57 -0.54 0.26 0.00 0.02 0.00 0.00 55.97 56.28 3ldm s LYS 41 Cb -0.38 -2.30 0.81 0.00 -0.52 0.00 0.00 37.83 35.44 3ldm s LYS 41 CO 0.48 -1.10 1.77 0.00 -0.92 0.00 0.00 175.35 175.59 3ldm h ARG 42 N -0.37 0.00 -3.81 1.68 3.08 -1.96 -3.32 114.38 109.68 3ldm h ARG 42 Ca -0.43 0.00 -0.75 0.00 0.07 0.00 0.00 59.98 58.87 3ldm h ARG 42 Cb 1.30 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 31.19 3ldm h ARG 42 CO 0.55 0.11 1.80 -1.71 -1.07 0.00 0.00 179.97 179.65 3ldm n ASN 43 N -3.19 5.17 -3.16 7.04 5.15 -1.26 -4.75 115.26 120.27 3ldm n ASN 43 Ca 0.02 -3.09 0.04 0.00 -0.60 0.00 0.00 54.58 50.95 3ldm n ASN 43 Cb 0.45 -1.49 -0.01 0.00 -0.53 0.00 0.00 39.78 38.20 3ldm n ASN 43 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 3ldm s ASN 44 N 1.28 -1.18 -0.10 1.20 3.84 -1.25 -4.64 114.94 114.10 3ldm s ASN 44 Ca 0.40 0.76 0.02 0.00 0.21 0.00 0.00 52.86 54.25 3ldm s ASN 44 Cb 0.06 2.00 0.01 0.00 -0.55 0.00 0.00 41.25 42.77 3ldm s ASN 44 CO 0.01 -0.22 -0.16 -0.36 -2.79 0.00 0.00 177.10 173.58 3ldm s PHE 45 N 2.88 1.92 0.23 0.43 0.40 0.36 -4.92 117.98 119.28 3ldm s PHE 45 Ca 0.16 -0.84 -0.05 0.00 -0.60 0.00 0.00 56.93 55.59 3ldm s PHE 45 Cb -0.14 -1.37 0.24 0.00 0.51 0.00 0.00 43.02 42.25 3ldm s PHE 45 CO -0.19 -0.42 1.77 -0.22 0.70 0.00 0.00 175.22 176.86 3ldm h LYS 46 N 7.22 1.03 -6.28 0.44 3.64 -1.91 0.58 116.57 121.29 3ldm h LYS 46 Ca -0.29 -0.22 -0.67 0.00 -1.27 0.00 0.00 60.65 58.20 3ldm h LYS 46 Cb 1.19 -0.15 -0.15 0.00 -0.41 0.00 0.00 32.23 32.71 3ldm h LYS 46 CO 0.48 0.90 -0.68 0.45 -2.27 0.00 0.00 179.45 178.33 3ldm s SER 47 N -6.49 4.80 0.15 4.20 0.15 -1.26 -4.72 113.70 110.53 3ldm s SER 47 Ca -0.11 -0.13 0.01 0.00 0.70 0.00 0.00 55.95 56.41 3ldm s SER 47 Cb 0.15 -1.15 -0.04 0.00 -1.71 0.00 0.00 66.02 63.28 3ldm s SER 47 CO 0.83 0.26 1.35 0.00 1.20 0.00 0.00 173.24 176.88 3ldm h ALA 48 N 4.25 0.47 -0.72 5.45 0.00 -1.97 -2.71 119.26 124.03 3ldm h ALA 48 Ca -0.48 -0.73 -0.01 0.00 0.00 0.00 0.00 54.91 53.68 3ldm h ALA 48 Cb 1.17 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 3ldm h ALA 48 CO 0.55 0.90 0.40 1.49 0.00 0.00 0.00 179.25 182.59 3ldm h GLU 49 N 0.13 1.00 -0.44 0.00 4.81 -1.99 -0.30 114.58 117.80 3ldm h GLU 49 Ca -0.05 -0.12 -0.09 0.00 -0.13 0.00 0.00 59.36 58.98 3ldm h GLU 49 Cb 1.54 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.71 3ldm h GLU 49 CO 0.14 0.74 -0.06 -0.44 -0.73 0.00 0.00 179.01 178.67 3ldm h ASP 50 N 0.99 0.82 0.32 1.04 5.19 -1.98 -0.08 116.42 122.71 3ldm h ASP 50 Ca 0.25 -0.34 -0.01 0.00 -0.62 0.00 0.00 57.03 56.32 3ldm h ASP 50 Cb 0.03 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.31 3ldm h ASP 50 CO -0.04 0.96 -0.21 0.00 -3.12 0.00 0.00 179.24 176.83 3ldm h MET 52 N -0.51 0.59 -0.72 0.00 -0.00 -0.99 0.45 114.93 113.75 3ldm h MET 52 Ca -0.03 -0.35 -0.05 0.00 -0.00 0.00 0.00 59.70 59.27 3ldm h MET 52 Cb 0.43 0.03 -0.03 0.00 -0.00 0.00 0.00 31.60 32.03 3ldm h MET 52 CO 0.02 0.96 0.26 -0.09 -0.00 0.00 0.00 176.91 178.06 3ldm h ARG 53 N 0.46 1.09 0.00 -0.10 2.43 -1.00 0.21 114.38 117.47 3ldm h ARG 53 Ca 0.02 -0.21 -0.17 0.00 -0.81 0.00 0.00 59.98 58.81 3ldm h ARG 53 Cb 1.04 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 30.40 3ldm h ARG 53 CO 0.10 0.90 -0.90 1.15 -1.51 0.00 0.00 179.97 179.71 3ldm h THR 54 N 1.06 1.23 0.00 0.20 2.02 -0.93 -3.40 112.91 113.08 3ldm h THR 54 Ca 0.24 -2.80 0.00 0.00 0.77 0.00 0.00 66.41 64.61 3ldm h THR 54 Cb 0.24 2.59 0.00 0.00 -1.74 0.00 0.00 68.15 69.25 3ldm h THR 54 CO -0.01 0.70 -0.22 0.00 0.37 0.00 0.00 175.52 176.36