#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jot h ASP 2 N 0.00 0.00 -0.73 9.51 3.04 -2.01 -3.06 116.42 123.17 2jot h ASP 2 Ca 0.00 0.00 0.05 0.00 -3.24 0.00 0.00 57.03 53.84 2jot h ASP 2 Cb 0.00 0.00 -0.04 0.00 -1.04 0.00 0.00 39.33 38.25 2jot h ASP 2 CO 0.00 0.43 0.48 0.74 -2.04 0.00 0.00 179.24 178.85 2jot h THR 3 N 0.00 1.08 0.00 1.15 2.02 -1.94 0.83 112.91 116.05 2jot h THR 3 Ca -0.00 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 66.89 2jot h THR 3 Cb 0.92 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.48 2jot h THR 3 CO 0.06 0.15 0.00 0.00 0.37 0.00 0.00 175.52 176.10 2jot n ARG 5 N -2.01 0.64 -3.14 0.00 1.74 0.26 -4.45 116.66 109.70 2jot n ARG 5 Ca 0.02 0.30 -0.42 0.00 -0.77 0.00 0.00 57.85 56.98 2jot n ARG 5 Cb 0.19 -1.79 -0.07 0.00 -1.02 0.00 0.00 32.46 29.76 2jot n ARG 5 CO 0.00 0.00 0.00 -0.48 -1.52 0.00 0.00 177.63 175.63 2jot s LEU 6 N -6.17 4.32 0.86 0.55 0.05 -0.99 -5.05 118.68 112.25 2jot s LEU 6 Ca -0.06 0.02 -0.12 0.00 0.05 0.00 0.00 54.13 54.02 2jot s LEU 6 Cb 0.08 -2.73 0.08 0.00 -2.05 0.00 0.00 46.19 41.57 2jot s LEU 6 CO 0.82 -0.60 0.99 -2.65 -0.55 0.00 0.00 176.35 174.36 2jot n PRO 7 N 6.02 -0.09 -4.49 1.48 -0.02 -1.26 -4.51 135.00 132.13 2jot n PRO 7 Ca -0.02 0.04 -0.34 0.00 -2.02 0.00 0.00 63.50 61.17 2jot n PRO 7 Cb 0.48 -2.26 -0.12 0.00 -0.02 0.00 0.00 33.50 31.58 2jot n PRO 7 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2jot s SER 8 N -2.20 4.65 0.11 2.55 0.01 -1.26 -4.86 113.70 112.70 2jot s SER 8 Ca 0.68 -0.15 -0.17 0.00 1.31 0.00 0.00 55.95 57.62 2jot s SER 8 Cb -0.26 -1.68 -0.07 0.00 0.21 0.00 0.00 66.02 64.22 2jot s SER 8 CO 0.57 0.19 0.56 -1.81 0.41 0.00 0.00 173.24 173.15 2jot s ASP 9 N 0.21 6.94 0.07 2.44 1.01 -1.21 -4.82 116.67 121.31 2jot s ASP 9 Ca -0.03 1.17 0.25 0.00 0.71 0.00 0.00 52.55 54.65 2jot s ASP 9 Cb -0.14 -2.32 0.56 0.00 1.01 0.00 0.00 42.92 42.03 2jot s ASP 9 CO 0.03 0.19 1.47 -2.11 0.21 0.00 0.00 175.17 174.97 2jot n ARG 10 N 1.28 0.16 -1.97 8.23 1.85 -1.24 0.11 116.66 125.07 2jot n ARG 10 Ca -0.08 0.06 0.00 0.00 -1.00 0.00 0.00 57.85 56.83 2jot n ARG 10 Cb 0.51 -1.61 0.00 0.00 -1.05 0.00 0.00 32.46 30.31 2jot n ARG 10 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2jot n GLY 11 N 1.41 -4.48 0.17 2.89 0.00 0.45 0.14 105.19 105.77 2jot n GLY 11 Ca 0.05 -0.23 0.14 0.00 0.00 0.00 0.00 46.02 45.98 2jot n GLY 11 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2jot n ARG 12 N 1.39 1.23 0.28 1.61 0.63 -1.26 -2.83 116.66 117.71 2jot n ARG 12 Ca 0.00 -0.34 -0.13 0.00 -0.92 0.00 0.00 57.85 56.46 2jot n ARG 12 Cb 0.00 -1.46 -0.07 0.00 0.45 0.00 0.00 32.46 31.38 2jot n ARG 12 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2jot n LYS 14 N -4.53 2.48 -1.52 0.00 4.76 -1.25 -5.00 118.16 113.09 2jot n LYS 14 Ca -0.10 -3.44 -0.32 0.00 -2.87 0.00 0.00 58.31 51.58 2jot n LYS 14 Cb 0.34 -2.06 -0.12 0.00 -1.84 0.00 0.00 35.03 31.35 2jot n LYS 14 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2jot n ALA 15 N -0.99 0.59 -2.08 7.82 0.00 -1.23 -4.22 120.51 120.41 2jot n ALA 15 Ca 0.45 -0.72 -0.02 0.00 0.00 0.00 0.00 53.44 53.14 2jot n ALA 15 Cb 1.00 -2.71 0.00 0.00 0.00 0.00 0.00 19.45 17.75 2jot n ALA 15 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2jot n SER 16 N 12.32 -0.59 -3.38 0.00 7.64 -1.23 -4.91 113.62 123.47 2jot n SER 16 Ca 0.55 -1.23 -0.09 0.00 1.01 0.00 0.00 58.87 59.11 2jot n SER 16 Cb 0.25 0.22 -0.01 0.00 -1.01 0.00 0.00 64.21 63.67 2jot n SER 16 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2jot s PHE 17 N 0.03 0.21 0.11 1.43 0.08 -0.84 -5.00 117.98 113.99 2jot s PHE 17 Ca 0.02 -0.72 0.08 0.00 0.12 0.00 0.00 56.93 56.43 2jot s PHE 17 Cb 0.09 0.58 -0.04 0.00 -0.57 0.00 0.00 43.02 43.08 2jot s PHE 17 CO -0.03 -1.34 -0.19 -1.21 -0.10 0.00 0.00 175.22 172.35 2jot s GLU 18 N -3.09 1.10 0.27 0.44 2.02 -1.26 0.14 118.70 118.32 2jot s GLU 18 Ca 0.17 -1.17 -0.17 0.00 0.02 0.00 0.00 54.97 53.82 2jot s GLU 18 Cb -0.04 -1.29 0.01 0.00 0.10 0.00 0.00 34.13 32.91 2jot s GLU 18 CO 0.11 0.29 0.61 1.03 0.02 0.00 0.00 175.26 177.33 2jot s ARG 19 N -2.04 1.69 0.08 1.61 0.52 -0.93 -4.69 118.95 115.19 2jot s ARG 19 Ca 0.07 -1.12 0.07 0.00 -0.52 0.00 0.00 55.73 54.23 2jot s ARG 19 Cb -0.09 0.55 -0.04 0.00 0.52 0.00 0.00 34.95 35.89 2jot s ARG 19 CO 0.04 -0.75 -0.13 -1.58 0.02 0.00 0.00 175.30 172.91 2jot s TRP 20 N -3.93 2.68 0.00 -0.53 0.52 0.29 -2.88 118.94 115.09 2jot s TRP 20 Ca 0.16 -0.18 -0.01 0.00 0.02 0.00 0.00 56.10 56.09 2jot s TRP 20 Cb -0.04 -1.45 -0.01 0.00 -1.15 0.00 0.00 33.47 30.83 2jot s TRP 20 CO 0.08 0.37 0.01 1.52 0.02 0.00 0.00 176.95 178.95 2jot s TYR 21 N -1.10 0.08 -0.12 -1.98 1.13 -1.11 0.12 117.35 114.37 2jot s TYR 21 Ca 0.18 -0.16 -0.29 0.00 -1.41 0.00 0.00 57.07 55.39 2jot s TYR 21 Cb -0.11 -0.07 -0.04 0.00 -1.10 0.00 0.00 41.96 40.65 2jot s TYR 21 CO 0.10 -0.09 1.53 0.12 -2.51 0.00 0.00 175.55 174.70 2jot s PHE 22 N -0.59 2.27 -0.87 -3.49 5.36 -1.14 -0.93 117.98 118.58 2jot s PHE 22 Ca -0.07 0.51 -0.00 0.00 -0.96 0.00 0.00 56.93 56.41 2jot s PHE 22 Cb -0.04 -3.81 0.34 0.00 -0.34 0.00 0.00 43.02 39.17 2jot s PHE 22 CO -0.00 -3.01 1.77 -1.71 -1.46 0.00 0.00 175.22 170.80 2jot n ASN 23 N 7.25 6.96 0.00 6.13 5.15 0.30 -4.91 115.26 136.14 2jot n ASN 23 Ca 0.17 -3.75 0.00 0.00 -0.60 0.00 0.00 54.58 50.40 2jot n ASN 23 Cb 0.44 -1.02 0.00 0.00 -0.53 0.00 0.00 39.78 38.67 2jot n ASN 23 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2jot n GLY 24 N -0.29 1.21 0.12 8.20 0.00 -1.26 -3.08 105.19 110.08 2jot n GLY 24 Ca 0.48 0.36 -0.24 0.00 0.00 0.00 0.00 46.02 46.62 2jot n GLY 24 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2jot n ARG 25 N 0.00 0.59 -4.66 1.61 0.00 -1.26 -5.01 116.66 107.92 2jot n ARG 25 Ca 0.00 0.45 -0.30 0.00 -0.00 0.00 0.00 57.85 58.01 2jot n ARG 25 Cb 0.00 -1.67 -0.10 0.00 0.00 0.00 0.00 32.46 30.69 2jot n ARG 25 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.63 177.55 2jot s THR 26 N -2.42 1.72 0.67 5.15 -1.32 -1.18 -5.15 115.64 113.10 2jot s THR 26 Ca -0.31 -2.00 -0.03 0.00 -1.21 0.00 0.00 61.69 58.15 2jot s THR 26 Cb 0.08 -2.71 0.08 0.00 -1.51 0.00 0.00 72.50 68.44 2jot s THR 26 CO 0.58 0.00 0.94 0.00 -2.21 0.00 0.00 174.62 173.93 2jot s ALA 28 N -3.08 1.47 -0.01 0.00 0.00 -0.11 -4.69 121.76 115.34 2jot s ALA 28 Ca 0.61 -1.87 -0.01 0.00 0.00 0.00 0.00 51.96 50.69 2jot s ALA 28 Cb -0.09 1.40 0.00 0.00 0.00 0.00 0.00 23.12 24.43 2jot s ALA 28 CO 0.43 -0.67 0.04 0.15 0.00 0.00 0.00 175.76 175.70 2jot s LYS 29 N -3.56 0.04 0.35 0.00 -0.14 -1.26 -2.73 119.74 112.44 2jot s LYS 29 Ca 0.38 0.05 -0.15 0.00 -1.36 0.00 0.00 55.97 54.89 2jot s LYS 29 Cb 0.03 0.02 0.04 0.00 -1.68 0.00 0.00 37.83 36.23 2jot s LYS 29 CO 0.22 -0.01 0.71 -0.59 -0.76 0.00 0.00 175.35 174.93 2jot s PHE 30 N 0.02 0.21 -0.44 3.18 -0.12 -1.14 -5.03 117.98 114.66 2jot s PHE 30 Ca -0.00 -0.75 -0.23 0.00 -0.05 0.00 0.00 56.93 55.90 2jot s PHE 30 Cb -0.00 0.63 0.02 0.00 -0.63 0.00 0.00 43.02 43.04 2jot s PHE 30 CO 0.00 -1.40 0.75 0.42 -0.05 0.00 0.00 175.22 174.95 2jot s ILE 31 N -2.88 4.69 -0.20 -4.49 -1.09 -1.26 -2.19 121.20 113.79 2jot s ILE 31 Ca 0.17 0.40 -0.21 0.00 -2.23 0.00 0.00 60.65 58.78 2jot s ILE 31 Cb -0.04 -4.29 -0.02 0.00 -1.58 0.00 0.00 42.46 36.53 2jot s ILE 31 CO 0.12 -0.67 0.63 -0.47 -1.23 0.00 0.00 174.94 173.32 2jot s TYR 32 N 3.17 3.37 -0.20 3.97 5.04 0.38 -4.73 117.35 128.36 2jot s TYR 32 Ca 0.28 0.93 -0.17 0.00 -2.44 0.00 0.00 57.07 55.67 2jot s TYR 32 Cb -0.13 -2.80 -0.13 0.00 0.35 0.00 0.00 41.96 39.25 2jot s TYR 32 CO 0.21 -0.18 -0.00 0.41 -1.34 0.00 0.00 175.55 174.65 2jot n GLY 33 N 3.81 -0.81 0.00 8.97 0.00 0.37 -1.98 105.19 115.55 2jot n GLY 33 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2jot n GLY 33 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jot n GLY 34 N 1.46 0.33 3.67 -0.02 0.00 -0.82 -3.85 105.19 105.97 2jot n GLY 34 Ca -0.27 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.49 2jot n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jot n GLY 36 N -0.19 3.02 3.45 0.00 0.00 -1.26 0.17 105.19 110.39 2jot n GLY 36 Ca -0.09 -0.82 -0.28 0.00 0.00 0.00 0.00 46.02 44.82 2jot n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jot n GLY 37 N 0.00 -2.15 1.84 -0.02 0.00 0.31 -3.35 105.19 101.81 2jot n GLY 37 Ca 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.82 2jot n GLY 37 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2jot n ASN 38 N -4.95 -0.56 0.00 1.61 0.23 -1.26 -4.84 115.26 105.49 2jot n ASN 38 Ca 0.02 0.13 0.00 0.00 -0.53 0.00 0.00 54.58 54.20 2jot n ASN 38 Cb 0.54 0.91 0.00 0.00 -2.08 0.00 0.00 39.78 39.15 2jot n ASN 38 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2jot n GLY 39 N -1.49 0.96 0.08 4.83 0.00 -1.26 -4.82 105.19 103.49 2jot n GLY 39 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 2jot n GLY 39 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2jot n ASN 40 N -0.03 0.55 -4.87 1.61 2.85 -1.26 -4.84 115.26 109.25 2jot n ASN 40 Ca 0.00 0.22 -0.30 0.00 -0.11 0.00 0.00 54.58 54.38 2jot n ASN 40 Cb 0.08 0.94 0.00 0.00 1.24 0.00 0.00 39.78 42.04 2jot n ASN 40 CO 0.00 0.00 0.00 -1.59 -2.11 0.00 0.00 177.26 173.56 2jot s LYS 41 N -3.33 3.64 -0.08 1.20 -2.85 -1.26 -2.87 119.74 114.18 2jot s LYS 41 Ca -0.04 0.65 -0.26 0.00 -1.00 0.00 0.00 55.97 55.32 2jot s LYS 41 Cb 0.11 -2.16 0.06 0.00 -2.06 0.00 0.00 37.83 33.78 2jot s LYS 41 CO 0.83 -0.44 0.60 -0.06 0.10 0.00 0.00 175.35 176.38 2jot s PHE 42 N -2.99 -0.57 0.21 1.78 0.08 0.33 -4.93 117.98 111.88 2jot s PHE 42 Ca 0.54 1.06 0.01 0.00 0.12 0.00 0.00 56.93 58.66 2jot s PHE 42 Cb -0.11 0.32 0.16 0.00 -0.57 0.00 0.00 43.02 42.82 2jot s PHE 42 CO 0.49 -0.52 1.51 -1.00 -0.10 0.00 0.00 175.22 175.60 2jot h PRO 43 N 3.56 0.36 -4.97 0.24 0.13 -1.89 0.84 132.00 130.25 2jot h PRO 43 Ca -0.28 -0.25 -0.40 0.00 -0.87 0.00 0.00 66.00 64.20 2jot h PRO 43 Cb 1.15 0.04 -0.14 0.00 0.13 0.00 0.00 31.00 32.18 2jot h PRO 43 CO 0.34 0.87 -0.60 0.95 -0.23 0.00 0.00 178.00 179.33 2jot s THR 44 N -3.77 0.68 0.21 1.56 -4.23 -1.26 -4.53 115.64 104.31 2jot s THR 44 Ca -0.05 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.52 2jot s THR 44 Cb 0.11 -2.65 -0.09 0.00 1.34 0.00 0.00 72.50 71.22 2jot s THR 44 CO 0.82 0.00 1.49 -0.61 -0.54 0.00 0.00 174.62 175.78 2jot h GLN 45 N 2.27 0.12 -0.82 3.99 4.15 -1.96 -3.11 115.11 119.76 2jot h GLN 45 Ca -0.38 -0.11 0.08 0.00 0.77 0.00 0.00 58.65 59.01 2jot h GLN 45 Cb 1.25 0.02 -0.05 0.00 0.21 0.00 0.00 27.48 28.91 2jot h GLN 45 CO 0.62 0.80 0.53 1.05 -1.93 0.00 0.00 178.83 179.90 2jot h GLU 46 N 0.08 0.82 0.00 1.69 -0.00 -2.00 -0.68 114.58 114.48 2jot h GLU 46 Ca -0.02 -0.05 -0.14 0.00 -0.00 0.00 0.00 59.36 59.16 2jot h GLU 46 Cb 1.29 -0.18 -0.02 0.00 -0.00 0.00 0.00 28.75 29.84 2jot h GLU 46 CO 0.10 0.54 -0.65 0.00 -0.00 0.00 0.00 179.01 179.00 2jot h ALA 47 N 1.57 0.66 -0.27 1.06 0.00 -1.95 -1.53 119.26 118.80 2jot h ALA 47 Ca 0.36 -0.60 0.05 0.00 0.00 0.00 0.00 54.91 54.73 2jot h ALA 47 Cb 0.32 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 2jot h ALA 47 CO -0.14 0.82 -0.00 0.00 0.00 0.00 0.00 179.25 179.93 2jot n MET 49 N -5.16 0.62 0.24 0.00 2.81 -1.15 -2.65 117.12 111.84 2jot n MET 49 Ca -0.01 0.25 0.12 0.00 -1.81 0.00 0.00 57.70 56.26 2jot n MET 49 Cb 0.14 -1.81 0.56 0.00 -0.71 0.00 0.00 33.22 31.41 2jot n MET 49 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 2jot h LYS 50 N 0.00 0.00 0.00 0.03 3.64 -1.10 1.19 116.57 120.33 2jot h LYS 50 Ca -0.20 0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 58.92 2jot h LYS 50 Cb 1.72 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 33.49 2jot h LYS 50 CO 0.06 0.15 -2.08 -2.13 -2.27 0.00 0.00 179.45 173.18 2jot n ARG 51 N -3.35 1.24 -0.08 1.90 3.00 -0.04 -4.01 116.66 115.33 2jot n ARG 51 Ca -0.00 -0.03 -0.10 0.00 -0.00 0.00 0.00 57.85 57.72 2jot n ARG 51 Cb 0.37 -1.42 -0.08 0.00 0.00 0.00 0.00 32.46 31.34 2jot n ARG 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2jot h ALA 53 N 0.08 0.63 0.00 0.00 0.00 0.84 -3.38 119.26 117.43 2jot h ALA 53 Ca -0.35 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 53.93 2jot h ALA 53 Cb 1.57 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.37 2jot h ALA 53 CO -0.04 0.80 -0.17 -0.22 0.00 0.00 0.00 179.25 179.62 2jot h LYS 54 N 0.00 0.00 0.00 0.00 3.11 0.64 -3.48 116.57 116.85 2jot h LYS 54 Ca -0.05 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.79 2jot h LYS 54 Cb 1.50 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.73 2jot h LYS 54 CO 0.07 0.00 0.00 0.00 -2.81 0.00 0.00 179.45 176.71