#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 0.36 -0.02 9.51 8.00 -1.26 -3.09 116.55 130.05 2jot n ASP 2 Ca 0.00 0.55 -0.10 0.00 0.71 0.00 0.00 54.79 55.95 2jot n ASP 2 Cb 0.00 -0.64 -0.14 0.00 -0.02 0.00 0.00 41.12 40.32 2jot n ASP 2 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 2jot h THR 3 N 0.00 0.83 0.00 -3.53 2.02 -1.93 -3.33 112.91 106.96 2jot h THR 3 Ca 0.00 -2.66 0.00 0.00 0.77 0.00 0.00 66.41 64.52 2jot h THR 3 Cb 0.49 2.44 0.00 0.00 -1.74 0.00 0.00 68.15 69.34 2jot h THR 3 CO 0.00 0.55 0.00 0.00 0.37 0.00 0.00 175.52 176.44 2jot n ARG 5 N -1.15 1.07 -3.79 0.00 1.85 -1.24 -3.28 116.66 110.12 2jot n ARG 5 Ca 0.16 -0.07 -0.36 0.00 -1.00 0.00 0.00 57.85 56.58 2jot n ARG 5 Cb 0.15 -1.34 -0.07 0.00 -1.05 0.00 0.00 32.46 30.15 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 -3.45 4.27 0.60 2.89 0.05 -1.14 -4.92 118.68 116.98 2jot s LEU 6 Ca 0.00 0.32 -0.13 0.00 0.05 0.00 0.00 54.13 54.37 2jot s LEU 6 Cb 0.12 -2.08 -0.04 0.00 -2.05 0.00 0.00 46.19 42.13 2jot s LEU 6 CO 0.69 0.27 1.03 -2.16 -0.55 0.00 0.00 176.35 175.62 2jot s PRO 7 N -0.17 3.54 0.10 1.48 0.04 -1.26 -4.58 135.00 134.15 2jot s PRO 7 Ca 0.11 0.89 0.06 0.00 0.04 0.00 0.00 61.00 62.10 2jot s PRO 7 Cb -0.11 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 32.31 2jot s PRO 7 CO 0.00 -0.62 -0.03 -1.12 0.04 0.00 0.00 177.00 175.27 2jot s SER 8 N -3.66 4.81 0.13 6.66 0.01 -1.26 -4.89 113.70 115.50 2jot s SER 8 Ca 0.58 -0.26 -0.16 0.00 1.31 0.00 0.00 55.95 57.42 2jot s SER 8 Cb -0.12 -1.07 -0.07 0.00 0.21 0.00 0.00 66.02 64.97 2jot s SER 8 CO 0.46 0.17 0.55 -1.81 0.41 0.00 0.00 173.24 173.03 2jot s ASP 9 N -2.31 6.89 0.00 2.44 1.11 0.11 -4.98 116.67 119.92 2jot s ASP 9 Ca 0.24 1.13 0.26 0.00 0.18 0.00 0.00 52.55 54.36 2jot s ASP 9 Cb -0.11 -2.31 0.61 0.00 1.07 0.00 0.00 42.92 42.18 2jot s ASP 9 CO 0.17 0.15 1.48 0.54 1.18 0.00 0.00 175.17 178.68 2jot n ARG 10 N 1.05 0.38 -3.04 8.23 1.74 -1.26 -4.45 116.66 119.31 2jot n ARG 10 Ca -0.07 -0.23 -0.07 0.00 -0.77 0.00 0.00 57.85 56.72 2jot n ARG 10 Cb 0.52 -1.50 0.01 0.00 -1.02 0.00 0.00 32.46 30.47 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 1.43 -1.60 0.45 -0.13 0.00 -0.03 0.04 105.19 105.34 2jot n GLY 11 Ca 0.09 0.48 0.36 0.00 0.00 0.00 0.00 46.02 46.95 2jot n GLY 11 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2jot h ARG 12 N 3.00 0.07 0.00 1.61 9.65 -1.93 -3.35 114.38 123.44 2jot h ARG 12 Ca -0.08 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.79 2jot h ARG 12 Cb 0.72 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.29 2jot h ARG 12 CO 0.09 0.05 0.00 0.00 2.80 0.00 0.00 179.97 182.91 2jot n LYS 14 N 0.00 0.00 -3.70 0.00 4.76 -1.26 -4.78 118.16 113.18 2jot n LYS 14 Ca 0.00 0.00 -0.22 0.00 -2.87 0.00 0.00 58.31 55.22 2jot n LYS 14 Cb 0.00 -0.44 -0.03 0.00 -1.84 0.00 0.00 35.03 32.72 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 0.13 4.07 -0.07 7.82 0.00 -1.21 -5.05 121.76 127.45 2jot s ALA 15 Ca 0.00 -1.82 0.03 0.00 0.00 0.00 0.00 51.96 50.16 2jot s ALA 15 Cb 0.00 -0.87 0.08 0.00 0.00 0.00 0.00 23.12 22.34 2jot s ALA 15 CO 0.00 -0.27 0.71 0.45 0.00 0.00 0.00 175.76 176.64 2jot n SER 16 N -1.55 -0.58 -3.98 0.00 2.88 -1.26 -5.03 113.62 104.09 2jot n SER 16 Ca 0.02 -1.24 -0.29 0.00 -1.33 0.00 0.00 58.87 56.04 2jot n SER 16 Cb 0.63 0.23 -0.17 0.00 -0.75 0.00 0.00 64.21 64.15 2jot n SER 16 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 2jot s PHE 17 N 0.03 1.99 -0.02 0.66 0.40 -1.19 -5.02 117.98 114.82 2jot s PHE 17 Ca 0.02 -1.13 -0.26 0.00 -0.60 0.00 0.00 56.93 54.96 2jot s PHE 17 Cb 0.09 -1.49 -0.04 0.00 0.51 0.00 0.00 43.02 42.10 2jot s PHE 17 CO -0.03 -0.63 0.80 -1.21 0.70 0.00 0.00 175.22 174.85 2jot s GLU 18 N 1.55 4.49 0.35 0.44 2.02 -1.26 0.11 118.70 126.40 2jot s GLU 18 Ca 0.04 1.09 0.03 0.00 0.02 0.00 0.00 54.97 56.15 2jot s GLU 18 Cb -0.13 -3.43 -0.04 0.00 0.10 0.00 0.00 34.13 30.63 2jot s GLU 18 CO -0.10 0.08 0.12 1.03 0.02 0.00 0.00 175.26 176.42 2jot s ARG 19 N 0.66 1.75 0.12 1.61 0.52 -0.58 -4.85 118.95 118.18 2jot s ARG 19 Ca 0.42 -2.02 0.05 0.00 -0.52 0.00 0.00 55.73 53.65 2jot s ARG 19 Cb -0.19 -0.50 -0.04 0.00 0.52 0.00 0.00 34.95 34.74 2jot s ARG 19 CO 0.22 -0.40 0.06 -1.58 0.02 0.00 0.00 175.30 173.62 2jot s TRP 20 N -3.37 3.08 0.06 -0.53 0.52 0.39 -2.73 118.94 116.36 2jot s TRP 20 Ca 0.31 -0.00 -0.09 0.00 0.02 0.00 0.00 56.10 56.34 2jot s TRP 20 Cb 0.05 -1.54 0.00 0.00 -1.15 0.00 0.00 33.47 30.83 2jot s TRP 20 CO 0.16 0.51 0.19 1.52 0.02 0.00 0.00 176.95 179.34 2jot s TYR 21 N -1.50 0.10 -0.05 -1.98 1.13 -1.15 0.88 117.35 114.78 2jot s TYR 21 Ca 0.28 -0.43 -0.20 0.00 -1.41 0.00 0.00 57.07 55.32 2jot s TYR 21 Cb -0.11 -0.05 -0.05 0.00 -1.10 0.00 0.00 41.96 40.65 2jot s TYR 21 CO 0.21 -0.48 0.55 0.12 -2.51 0.00 0.00 175.55 173.44 2jot s PHE 22 N -3.19 3.61 -0.50 -3.49 2.19 -1.13 -0.77 117.98 114.70 2jot s PHE 22 Ca -0.00 1.08 0.04 0.00 0.33 0.00 0.00 56.93 58.37 2jot s PHE 22 Cb 0.02 -2.59 0.16 0.00 -1.31 0.00 0.00 43.02 39.30 2jot s PHE 22 CO -0.07 0.27 0.36 1.21 1.83 0.00 0.00 175.22 178.82 2jot s ASN 23 N 0.17 2.88 0.00 6.13 2.47 0.36 -4.81 114.94 122.14 2jot s ASN 23 Ca 0.29 -3.19 0.00 0.00 0.42 0.00 0.00 52.86 50.38 2jot s ASN 23 Cb -0.17 -0.89 0.00 0.00 -1.45 0.00 0.00 41.25 38.74 2jot s ASN 23 CO 0.14 -0.17 0.00 0.61 -3.72 0.00 0.00 177.10 173.97 2jot n GLY 24 N 2.75 1.88 0.00 1.21 0.00 -1.20 -3.47 105.19 106.35 2jot n GLY 24 Ca 0.23 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.31 -4.35 1.61 1.85 -1.26 -4.84 116.66 109.36 2jot n ARG 25 Ca 0.00 -0.17 -0.18 0.00 -1.00 0.00 0.00 57.85 56.50 2jot n ARG 25 Cb 0.00 -0.66 -0.10 0.00 -1.05 0.00 0.00 32.46 30.64 2jot n ARG 25 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 2jot s THR 26 N -0.01 0.66 0.70 8.89 2.01 -1.23 -5.07 115.64 121.60 2jot s THR 26 Ca 0.00 -2.00 -0.03 0.00 0.31 0.00 0.00 61.69 59.97 2jot s THR 26 Cb 0.00 -2.66 0.10 0.00 0.01 0.00 0.00 72.50 69.95 2jot s THR 26 CO 0.00 0.00 0.97 0.00 -0.69 0.00 0.00 174.62 174.90 2jot s ALA 28 N -3.14 0.33 -0.01 0.00 0.00 0.05 -4.75 121.76 114.24 2jot s ALA 28 Ca 0.64 -1.26 0.01 0.00 0.00 0.00 0.00 51.96 51.34 2jot s ALA 28 Cb -0.07 1.08 0.01 0.00 0.00 0.00 0.00 23.12 24.13 2jot s ALA 28 CO 0.44 -0.83 -0.01 0.15 0.00 0.00 0.00 175.76 175.51 2jot s LYS 29 N -3.23 0.20 0.28 0.00 1.02 -1.26 -2.95 119.74 113.79 2jot s LYS 29 Ca 0.27 -0.03 -0.20 0.00 0.02 0.00 0.00 55.97 56.03 2jot s LYS 29 Cb -0.01 -0.25 0.06 0.00 -0.52 0.00 0.00 37.83 37.11 2jot s LYS 29 CO 0.16 -0.00 0.88 -0.59 -0.92 0.00 0.00 175.35 174.87 2jot s PHE 30 N 0.25 0.02 -0.59 3.18 -0.71 -1.11 -5.01 117.98 114.01 2jot s PHE 30 Ca -0.02 -0.53 -0.22 0.00 -1.04 0.00 0.00 56.93 55.12 2jot s PHE 30 Cb -0.04 0.75 0.06 0.00 -1.21 0.00 0.00 43.02 42.58 2jot s PHE 30 CO -0.01 -1.22 0.86 0.42 -1.34 0.00 0.00 175.22 173.93 2jot s ILE 31 N -2.67 4.51 0.10 -4.49 -1.09 -1.26 -1.52 121.20 114.78 2jot s ILE 31 Ca 0.16 -0.27 -0.17 0.00 -2.23 0.00 0.00 60.65 58.14 2jot s ILE 31 Cb -0.04 -4.54 -0.07 0.00 -1.58 0.00 0.00 42.46 36.23 2jot s ILE 31 CO 0.08 -1.18 0.56 -0.47 -1.23 0.00 0.00 174.94 172.69 2jot s TYR 32 N 3.58 3.73 -0.04 3.97 5.04 0.29 -4.72 117.35 129.20 2jot s TYR 32 Ca 0.22 1.19 0.02 0.00 -2.44 0.00 0.00 57.07 56.05 2jot s TYR 32 Cb -0.17 -2.44 -0.04 0.00 0.35 0.00 0.00 41.96 39.66 2jot s TYR 32 CO 0.13 0.53 -0.01 0.41 -1.34 0.00 0.00 175.55 175.26 2jot n GLY 33 N 1.37 -0.12 0.00 8.97 0.00 0.11 -3.18 105.19 112.33 2jot n GLY 33 Ca -0.09 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 3.03 1.21 3.27 -0.02 0.00 -1.25 -4.92 105.19 106.50 2jot n GLY 34 Ca -0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 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 5.03 0.52 3.54 0.00 0.00 -1.26 -0.85 105.19 112.16 2jot n GLY 36 Ca -0.10 -0.67 -0.11 0.00 0.00 0.00 0.00 46.02 45.13 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 -0.40 0.00 -0.02 0.00 -1.26 0.06 107.32 105.69 2jot s GLY 37 Ca 0.00 1.50 0.00 0.00 0.00 0.00 0.00 44.72 46.22 2jot s GLY 37 CO 0.00 0.75 0.00 1.16 0.00 0.00 0.00 173.10 175.01 2jot n ASN 38 N 0.38 0.00 0.00 1.64 0.23 -1.26 -5.01 115.26 111.24 2jot n ASN 38 Ca -0.12 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.93 2jot n ASN 38 Cb 0.59 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.29 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 1.01 -0.35 0.09 4.83 0.00 -1.26 -4.74 105.19 104.76 2jot n GLY 39 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.88 1.61 -0.73 -1.81 -3.46 115.58 107.31 2jot h ASN 40 Ca 0.00 0.00 -0.50 0.00 1.87 0.00 0.00 56.30 57.67 2jot h ASN 40 Cb 0.23 0.00 0.02 0.00 0.27 0.00 0.00 38.32 38.84 2jot h ASN 40 CO 0.00 0.74 0.45 -0.75 -0.37 0.00 0.00 177.43 177.50 2jot s LYS 41 N -2.80 4.40 -0.16 6.67 2.36 -1.26 -2.86 119.74 126.09 2jot s LYS 41 Ca -0.03 1.69 -0.13 0.00 -2.55 0.00 0.00 55.97 54.94 2jot s LYS 41 Cb 0.08 -2.89 0.04 0.00 -1.05 0.00 0.00 37.83 34.02 2jot s LYS 41 CO 0.82 0.03 0.41 -0.06 1.55 0.00 0.00 175.35 178.10 2jot s PHE 42 N -1.38 -0.49 0.10 4.03 0.08 0.25 -4.96 117.98 115.62 2jot s PHE 42 Ca 0.51 1.15 -0.17 0.00 0.12 0.00 0.00 56.93 58.54 2jot s PHE 42 Cb -0.28 0.18 -0.06 0.00 -0.57 0.00 0.00 43.02 42.29 2jot s PHE 42 CO 0.35 -0.25 1.52 -1.00 -0.10 0.00 0.00 175.22 175.75 2jot h PRO 43 N 5.85 0.57 -6.20 0.24 0.13 -1.95 1.13 132.00 131.77 2jot h PRO 43 Ca -0.29 -0.20 -0.57 0.00 -0.87 0.00 0.00 66.00 64.07 2jot h PRO 43 Cb 1.18 -0.04 -0.19 0.00 0.13 0.00 0.00 31.00 32.08 2jot h PRO 43 CO 0.26 0.74 -0.81 0.95 -0.23 0.00 0.00 178.00 178.90 2jot s THR 44 N -4.88 1.93 0.53 1.56 -4.23 -1.26 -3.80 115.64 105.49 2jot s THR 44 Ca -0.13 -1.83 0.19 0.00 -1.18 0.00 0.00 61.69 58.74 2jot s THR 44 Cb 0.08 -1.83 0.30 0.00 1.34 0.00 0.00 72.50 72.39 2jot s THR 44 CO 0.77 -0.18 2.15 0.06 -0.54 0.00 0.00 174.62 176.89 2jot h GLN 45 N 3.51 0.00 0.00 3.99 3.07 -1.93 -0.49 115.11 123.26 2jot h GLN 45 Ca -0.45 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.27 2jot h GLN 45 Cb 1.20 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.75 2jot h GLN 45 CO 0.46 0.00 -0.10 1.49 0.09 0.00 0.00 178.83 180.78 2jot h GLU 46 N 0.00 0.00 -0.12 0.06 4.81 -1.98 -1.67 114.58 115.68 2jot h GLU 46 Ca 0.03 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.07 2jot h GLU 46 Cb 0.11 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.50 2jot h GLU 46 CO -0.00 0.10 -0.64 0.00 -0.73 0.00 0.00 179.01 177.74 2jot h ALA 47 N 1.90 0.25 -0.16 2.92 0.00 -1.49 0.40 119.26 123.07 2jot h ALA 47 Ca -0.00 -0.55 -0.12 0.00 0.00 0.00 0.00 54.91 54.24 2jot h ALA 47 Cb 0.19 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2jot h ALA 47 CO 0.01 0.52 -0.42 0.00 0.00 0.00 0.00 179.25 179.37 2jot h MET 49 N 0.31 0.00 0.00 0.00 2.07 -1.34 -2.89 114.93 113.08 2jot h MET 49 Ca 0.03 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.66 2jot h MET 49 Cb 0.87 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.60 2jot h MET 49 CO 0.07 0.01 -0.29 1.17 1.07 0.00 0.00 176.91 178.95 2jot n LYS 50 N -2.89 0.18 -0.05 1.72 4.81 0.13 0.11 118.16 122.17 2jot n LYS 50 Ca 0.02 0.09 -0.02 0.00 -0.87 0.00 0.00 58.31 57.53 2jot n LYS 50 Cb 0.55 -1.66 -0.11 0.00 0.02 0.00 0.00 35.03 33.83 2jot n LYS 50 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46 2jot n ARG 51 N -1.94 1.30 -0.04 1.64 -4.01 -1.02 -2.35 116.66 110.24 2jot n ARG 51 Ca 0.05 -0.05 -0.05 0.00 -1.04 0.00 0.00 57.85 56.76 2jot n ARG 51 Cb 0.40 -1.35 -0.06 0.00 -3.04 0.00 0.00 32.46 28.40 2jot n ARG 51 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 2jot n ALA 53 N -2.38 0.96 0.07 0.00 0.00 0.12 -4.65 120.51 114.63 2jot n ALA 53 Ca -0.14 -0.75 -0.09 0.00 0.00 0.00 0.00 53.44 52.45 2jot n ALA 53 Cb 0.76 -0.26 -0.06 0.00 0.00 0.00 0.00 19.45 19.88 2jot n ALA 53 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2jot h LYS 54 N -1.00 -0.26 0.00 0.00 1.63 0.63 -3.48 116.57 114.09 2jot h LYS 54 Ca -0.50 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.32 2jot h LYS 54 Cb 1.43 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 33.12 2jot h LYS 54 CO -0.30 0.10 0.00 0.00 -3.45 0.00 0.00 179.45 175.79