#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jot n ASP 2 N 0.00 0.00 0.10 7.28 9.92 -1.26 -3.20 116.55 129.39 2jot n ASP 2 Ca 0.00 0.37 -0.22 0.00 -0.53 0.00 0.00 54.79 54.40 2jot n ASP 2 Cb 0.00 -0.45 -0.15 0.00 -0.64 0.00 0.00 41.12 39.88 2jot n ASP 2 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 2jot h THR 3 N 0.00 1.12 0.00 -3.53 2.02 -1.97 -3.02 112.91 107.54 2jot h THR 3 Ca 0.00 -2.65 0.00 0.00 0.77 0.00 0.00 66.41 64.53 2jot h THR 3 Cb 0.35 2.88 0.00 0.00 -1.74 0.00 0.00 68.15 69.64 2jot h THR 3 CO 0.00 0.84 0.00 0.00 0.37 0.00 0.00 175.52 176.73 2jot n ARG 5 N -1.25 4.23 -3.68 0.00 1.85 -1.24 -4.42 116.66 112.15 2jot n ARG 5 Ca 0.12 -0.05 -0.37 0.00 -1.00 0.00 0.00 57.85 56.55 2jot n ARG 5 Cb 0.17 -0.88 -0.07 0.00 -1.05 0.00 0.00 32.46 30.63 2jot n ARG 5 CO 0.00 0.00 0.00 -0.48 -0.01 0.00 0.00 177.63 177.14 2jot s LEU 6 N -2.29 4.35 0.61 2.89 0.05 -1.13 -4.94 118.68 118.21 2jot s LEU 6 Ca 0.03 0.57 -0.12 0.00 0.05 0.00 0.00 54.13 54.66 2jot s LEU 6 Cb 0.06 -2.28 -0.04 0.00 -2.05 0.00 0.00 46.19 41.88 2jot s LEU 6 CO 0.31 0.28 1.02 -2.16 -0.55 0.00 0.00 176.35 175.25 2jot s PRO 7 N -0.47 3.62 0.08 1.48 0.04 -1.26 -4.66 135.00 133.83 2jot s PRO 7 Ca 0.17 0.80 0.02 0.00 0.04 0.00 0.00 61.00 62.03 2jot s PRO 7 Cb -0.13 -2.08 -0.04 0.00 0.04 0.00 0.00 34.50 32.28 2jot s PRO 7 CO 0.05 -0.55 0.15 -1.12 0.04 0.00 0.00 177.00 175.57 2jot s SER 8 N -3.95 5.89 0.26 6.66 0.01 -1.26 -4.93 113.70 116.38 2jot s SER 8 Ca 0.56 0.10 -0.10 0.00 1.31 0.00 0.00 55.95 57.81 2jot s SER 8 Cb -0.11 -1.68 -0.07 0.00 0.21 0.00 0.00 66.02 64.36 2jot s SER 8 CO 0.50 0.16 0.59 -1.81 0.41 0.00 0.00 173.24 173.08 2jot s ASP 9 N -2.55 6.62 0.14 2.44 1.11 -0.60 -5.00 116.67 118.84 2jot s ASP 9 Ca 0.32 0.96 0.23 0.00 0.18 0.00 0.00 52.55 54.25 2jot s ASP 9 Cb -0.12 -2.24 0.14 0.00 1.07 0.00 0.00 42.92 41.76 2jot s ASP 9 CO 0.25 -0.12 1.15 0.54 1.18 0.00 0.00 175.17 178.16 2jot n ARG 10 N -0.31 0.43 -3.43 8.23 1.74 -1.26 -4.61 116.66 117.46 2jot n ARG 10 Ca 0.01 0.09 -0.17 0.00 -0.77 0.00 0.00 57.85 57.00 2jot n ARG 10 Cb 0.53 -1.73 0.00 0.00 -1.02 0.00 0.00 32.46 30.24 2jot n ARG 10 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2jot n GLY 11 N 1.27 -0.61 0.26 -0.13 0.00 0.54 0.19 105.19 106.72 2jot n GLY 11 Ca 0.02 0.27 -0.04 0.00 0.00 0.00 0.00 46.02 46.27 2jot n GLY 11 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2jot h ARG 12 N 0.24 -0.09 0.00 1.61 0.11 -1.82 -2.88 114.38 111.54 2jot h ARG 12 Ca -0.35 0.01 0.00 0.00 0.10 0.00 0.00 59.98 59.73 2jot h ARG 12 Cb 0.74 0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.84 2jot h ARG 12 CO 0.22 -0.06 0.00 0.00 0.10 0.00 0.00 179.97 180.23 2jot n LYS 14 N 1.29 1.44 -2.74 0.00 4.76 -1.26 -5.03 118.16 116.61 2jot n LYS 14 Ca 0.00 -0.05 -0.22 0.00 -2.87 0.00 0.00 58.31 55.17 2jot n LYS 14 Cb 0.00 -1.25 0.09 0.00 -1.84 0.00 0.00 35.03 32.03 2jot n LYS 14 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2jot s ALA 15 N -2.47 4.04 -0.39 7.82 0.00 -0.76 -5.10 121.76 124.91 2jot s ALA 15 Ca -0.04 -1.84 -0.02 0.00 0.00 0.00 0.00 51.96 50.05 2jot s ALA 15 Cb 0.05 -1.83 0.20 0.00 0.00 0.00 0.00 23.12 21.53 2jot s ALA 15 CO 0.42 -1.22 0.94 -1.54 0.00 0.00 0.00 175.76 174.36 2jot s SER 16 N -4.69 -0.74 -0.03 0.00 1.04 -1.26 -4.20 113.70 103.82 2jot s SER 16 Ca 0.64 -0.67 0.06 0.00 0.48 0.00 0.00 55.95 56.46 2jot s SER 16 Cb -0.06 0.95 -0.02 0.00 0.10 0.00 0.00 66.02 66.99 2jot s SER 16 CO 0.42 -0.05 -0.20 -0.36 0.98 0.00 0.00 173.24 174.03 2jot s PHE 17 N 1.33 2.51 -0.26 5.02 0.40 -1.18 -4.87 117.98 120.94 2jot s PHE 17 Ca 0.22 -0.30 -0.29 0.00 -0.60 0.00 0.00 56.93 55.96 2jot s PHE 17 Cb 0.05 -1.56 0.00 0.00 0.51 0.00 0.00 43.02 42.02 2jot s PHE 17 CO -0.10 0.08 1.19 -2.00 0.70 0.00 0.00 175.22 175.09 2jot s GLU 18 N -0.70 4.10 0.39 0.44 2.12 -1.26 0.12 118.70 123.91 2jot s GLU 18 Ca 0.11 1.34 0.04 0.00 0.36 0.00 0.00 54.97 56.81 2jot s GLU 18 Cb -0.10 -3.77 -0.04 0.00 0.26 0.00 0.00 34.13 30.48 2jot s GLU 18 CO -0.00 -0.87 0.08 1.03 -0.54 0.00 0.00 175.26 174.96 2jot s ARG 19 N 3.69 1.86 0.10 4.30 1.81 -0.80 -4.92 118.95 124.99 2jot s ARG 19 Ca 0.51 -2.11 0.07 0.00 -1.72 0.00 0.00 55.73 52.48 2jot s ARG 19 Cb -0.17 -0.85 -0.04 0.00 -0.45 0.00 0.00 34.95 33.45 2jot s ARG 19 CO 0.16 -0.35 -0.09 -1.58 -0.68 0.00 0.00 175.30 172.76 2jot s TRP 20 N -3.19 2.77 -0.02 -0.53 0.52 0.26 -2.96 118.94 115.79 2jot s TRP 20 Ca 0.26 -0.14 -0.06 0.00 0.02 0.00 0.00 56.10 56.19 2jot s TRP 20 Cb 0.05 -1.45 0.01 0.00 -1.15 0.00 0.00 33.47 30.92 2jot s TRP 20 CO 0.14 0.42 0.13 1.52 0.02 0.00 0.00 176.95 179.18 2jot s TYR 21 N -1.21 -0.03 -0.03 -1.98 1.13 -0.92 0.41 117.35 114.73 2jot s TYR 21 Ca 0.21 0.07 -0.30 0.00 -1.41 0.00 0.00 57.07 55.65 2jot s TYR 21 Cb -0.11 -0.01 -0.04 0.00 -1.10 0.00 0.00 41.96 40.69 2jot s TYR 21 CO 0.14 -0.19 1.26 0.12 -2.51 0.00 0.00 175.55 174.37 2jot s PHE 22 N -0.73 3.12 -0.53 -3.49 2.19 -1.15 -0.27 117.98 117.12 2jot s PHE 22 Ca -0.08 1.11 0.04 0.00 0.33 0.00 0.00 56.93 58.33 2jot s PHE 22 Cb -0.05 -3.49 0.16 0.00 -1.31 0.00 0.00 43.02 38.33 2jot s PHE 22 CO 0.01 -1.64 0.36 0.54 1.83 0.00 0.00 175.22 176.32 2jot s ASN 23 N 1.54 3.49 0.00 6.13 4.22 0.87 -4.74 114.94 126.45 2jot s ASN 23 Ca 0.58 -3.21 0.00 0.00 -2.14 0.00 0.00 52.86 48.10 2jot s ASN 23 Cb -0.27 -1.11 0.00 0.00 1.28 0.00 0.00 41.25 41.15 2jot s ASN 23 CO 0.24 -0.17 0.00 0.61 -2.04 0.00 0.00 177.10 175.74 2jot n GLY 24 N 2.77 2.33 0.00 0.45 0.00 -1.26 -3.22 105.19 106.25 2jot n GLY 24 Ca 0.18 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2jot n GLY 24 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2jot n ARG 25 N 0.00 2.53 -3.98 1.61 0.00 -1.26 -4.99 116.66 110.57 2jot n ARG 25 Ca 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 57.85 57.60 2jot n ARG 25 Cb 0.00 -0.87 -0.04 0.00 -0.00 0.00 0.00 32.46 31.55 2jot n ARG 25 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 2jot s THR 26 N -1.66 1.99 -0.17 8.89 -4.23 -1.20 -5.04 115.64 114.24 2jot s THR 26 Ca 0.00 -1.57 -0.05 0.00 -1.18 0.00 0.00 61.69 58.89 2jot s THR 26 Cb 0.00 -2.57 -0.03 0.00 1.34 0.00 0.00 72.50 71.24 2jot s THR 26 CO 0.00 0.00 0.00 0.00 -0.54 0.00 0.00 174.62 174.08 2jot s ALA 28 N 0.37 4.35 -0.02 0.00 0.00 0.63 -4.86 121.76 122.23 2jot s ALA 28 Ca -0.01 -1.94 -0.03 0.00 0.00 0.00 0.00 51.96 49.98 2jot s ALA 28 Cb -0.13 -1.67 0.00 0.00 0.00 0.00 0.00 23.12 21.32 2jot s ALA 28 CO 0.02 -0.98 0.06 -1.59 0.00 0.00 0.00 175.76 173.27 2jot s LYS 29 N -4.79 0.15 0.28 0.00 -2.85 -1.26 -2.16 119.74 109.11 2jot s LYS 29 Ca 0.62 -0.05 -0.19 0.00 -1.00 0.00 0.00 55.97 55.35 2jot s LYS 29 Cb -0.06 0.06 0.06 0.00 -2.06 0.00 0.00 37.83 35.83 2jot s LYS 29 CO 0.40 -0.03 0.88 -0.59 0.10 0.00 0.00 175.35 176.11 2jot s PHE 30 N -0.30 0.04 -0.80 1.78 -0.12 -1.15 -5.01 117.98 112.42 2jot s PHE 30 Ca -0.04 -0.56 -0.20 0.00 -0.05 0.00 0.00 56.93 56.08 2jot s PHE 30 Cb -0.02 0.76 0.10 0.00 -0.63 0.00 0.00 43.02 43.23 2jot s PHE 30 CO 0.00 -1.25 1.03 0.42 -0.05 0.00 0.00 175.22 175.38 2jot s ILE 31 N -2.56 4.56 -0.75 -4.49 -1.09 -1.26 -1.91 121.20 113.69 2jot s ILE 31 Ca 0.17 -1.04 -0.20 0.00 -2.23 0.00 0.00 60.65 57.35 2jot s ILE 31 Cb -0.04 -4.72 0.11 0.00 -1.58 0.00 0.00 42.46 36.22 2jot s ILE 31 CO 0.08 -1.46 0.96 -0.47 -1.23 0.00 0.00 174.94 172.82 2jot s TYR 32 N 3.26 2.95 0.49 3.97 5.04 0.32 -4.58 117.35 128.80 2jot s TYR 32 Ca 0.27 -1.01 0.16 0.00 -2.44 0.00 0.00 57.07 54.05 2jot s TYR 32 Cb -0.11 -4.21 1.18 0.00 0.35 0.00 0.00 41.96 39.16 2jot s TYR 32 CO -0.00 -1.49 2.08 0.78 -1.34 0.00 0.00 175.55 175.58 2jot h GLY 33 N 10.57 0.19 0.00 8.97 0.00 0.23 -3.13 103.07 119.92 2jot h GLY 33 Ca -0.11 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.16 2jot h GLY 33 CO 1.12 0.06 0.00 0.61 0.00 0.00 0.00 176.54 178.33 2jot n GLY 34 N -1.54 0.19 3.36 4.60 0.00 -1.10 -4.42 105.19 106.28 2jot n GLY 34 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 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 4.63 -0.60 3.71 0.00 0.00 -1.26 -0.34 105.19 111.33 2jot n GLY 36 Ca -0.18 -0.69 -0.00 0.00 0.00 0.00 0.00 46.02 45.15 2jot n GLY 36 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jot s GLY 37 N 0.00 -0.30 0.00 -0.02 0.00 -1.26 -1.56 107.32 104.18 2jot s GLY 37 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 44.72 45.11 2jot s GLY 37 CO 0.00 0.67 0.00 1.16 0.00 0.00 0.00 173.10 174.93 2jot n ASN 38 N -0.59 0.00 0.00 1.64 0.23 -1.26 -5.01 115.26 110.27 2jot n ASN 38 Ca -0.06 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.99 2jot n ASN 38 Cb 0.62 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.32 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 -0.55 0.18 0.10 4.83 0.00 -1.26 -4.71 105.19 103.78 2jot n GLY 39 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 2jot n GLY 39 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2jot h ASN 40 N 0.00 0.00 -3.94 1.61 -0.73 -1.83 -3.47 115.58 107.22 2jot h ASN 40 Ca 0.00 0.00 -0.51 0.00 1.87 0.00 0.00 56.30 57.66 2jot h ASN 40 Cb 0.07 0.00 0.05 0.00 0.27 0.00 0.00 38.32 38.72 2jot h ASN 40 CO 0.00 0.50 0.52 -0.75 -0.37 0.00 0.00 177.43 177.33 2jot s LYS 41 N -2.98 4.07 -0.17 6.67 2.47 -1.26 -2.92 119.74 125.61 2jot s LYS 41 Ca -0.02 1.89 -0.14 0.00 -1.56 0.00 0.00 55.97 56.13 2jot s LYS 41 Cb 0.09 -2.72 0.05 0.00 -1.46 0.00 0.00 37.83 33.79 2jot s LYS 41 CO 0.81 -0.32 0.45 -0.06 0.16 0.00 0.00 175.35 176.39 2jot s PHE 42 N -1.38 -0.53 0.00 4.03 0.08 0.17 -4.96 117.98 115.39 2jot s PHE 42 Ca 0.56 1.25 -0.25 0.00 0.12 0.00 0.00 56.93 58.62 2jot s PHE 42 Cb -0.32 0.20 -0.17 0.00 -0.57 0.00 0.00 43.02 42.16 2jot s PHE 42 CO 0.40 -0.27 1.23 -1.00 -0.10 0.00 0.00 175.22 175.49 2jot h PRO 43 N 5.83 -0.28 -5.94 0.24 0.13 -1.95 0.75 132.00 130.77 2jot h PRO 43 Ca -0.29 0.02 -0.60 0.00 -0.87 0.00 0.00 66.00 64.26 2jot h PRO 43 Cb 1.18 0.06 -0.12 0.00 0.13 0.00 0.00 31.00 32.26 2jot h PRO 43 CO 0.24 0.07 -0.62 0.95 -0.23 0.00 0.00 178.00 178.40 2jot s THR 44 N -4.55 2.42 0.27 1.56 -4.23 -1.26 -3.80 115.64 106.05 2jot s THR 44 Ca -0.14 -2.02 0.11 0.00 -1.18 0.00 0.00 61.69 58.45 2jot s THR 44 Cb 0.02 -2.79 -0.02 0.00 1.34 0.00 0.00 72.50 71.05 2jot s THR 44 CO 0.57 -0.16 1.62 -0.61 -0.54 0.00 0.00 174.62 175.50 2jot h GLN 45 N 1.84 0.00 -0.46 3.99 -0.00 -1.95 -3.02 115.11 115.51 2jot h GLN 45 Ca -0.43 0.00 0.04 0.00 -0.00 0.00 0.00 58.65 58.27 2jot h GLN 45 Cb 1.25 0.00 -0.03 0.00 0.00 0.00 0.00 27.48 28.70 2jot h GLN 45 CO 0.70 0.60 0.30 1.49 0.00 0.00 0.00 178.83 181.92 2jot h GLU 46 N 0.00 0.44 -0.00 1.69 4.81 -2.00 -2.44 114.58 117.07 2jot h GLU 46 Ca -0.01 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 2jot h GLU 46 Cb 1.08 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.36 2jot h GLU 46 CO 0.08 0.29 -0.05 0.00 -0.73 0.00 0.00 179.01 178.60 2jot h ALA 47 N 1.74 0.01 -1.01 2.92 0.00 -1.94 -2.52 119.26 118.47 2jot h ALA 47 Ca 0.19 -0.38 0.26 0.00 0.00 0.00 0.00 54.91 54.98 2jot h ALA 47 Cb 0.19 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.92 2jot h ALA 47 CO -0.05 -0.09 0.68 0.00 0.00 0.00 0.00 179.25 179.79 2jot h MET 49 N 0.27 0.40 0.00 0.00 2.07 -1.48 -3.10 114.93 113.09 2jot h MET 49 Ca 0.53 -0.68 0.00 0.00 -2.07 0.00 0.00 59.70 57.48 2jot h MET 49 Cb 1.58 0.25 0.00 0.00 -1.87 0.00 0.00 31.60 31.57 2jot h MET 49 CO -0.18 1.33 0.00 0.36 1.07 0.00 0.00 176.91 179.49 2jot n LYS 50 N -3.91 0.97 -0.13 1.72 2.85 -0.35 -0.29 118.16 119.01 2jot n LYS 50 Ca -0.17 0.00 -0.26 0.00 -1.05 0.00 0.00 58.31 56.83 2jot n LYS 50 Cb 0.96 -1.49 -0.10 0.00 -0.65 0.00 0.00 35.03 33.76 2jot n LYS 50 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 2jot n ARG 51 N -0.99 0.56 -0.01 -1.58 0.00 0.68 -4.46 116.66 110.86 2jot n ARG 51 Ca 0.23 0.23 0.00 0.00 -0.00 0.00 0.00 57.85 58.30 2jot n ARG 51 Cb 0.10 -1.44 -0.04 0.00 0.00 0.00 0.00 32.46 31.08 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 0.39 0.69 0.00 0.00 0.00 -1.01 -3.38 119.26 115.95 2jot h ALA 53 Ca -0.08 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2jot h ALA 53 Cb 0.82 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2jot h ALA 53 CO 0.00 0.57 -0.01 0.87 0.00 0.00 0.00 179.25 180.68 2jot h LYS 54 N 0.00 0.00 0.00 0.00 6.56 -0.87 -3.48 116.57 118.78 2jot h LYS 54 Ca -0.04 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.55 2jot h LYS 54 Cb 1.35 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.01 2jot h LYS 54 CO 0.05 0.00 0.00 0.00 -2.06 0.00 0.00 179.45 177.44