#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 0.33 -0.24 9.51 2.03 -1.26 -4.40 116.55 122.51 2jot n ASP 2 Ca 0.00 0.07 0.05 0.00 0.52 0.00 0.00 54.79 55.43 2jot n ASP 2 Cb 0.00 0.68 0.17 0.00 -0.72 0.00 0.00 41.12 41.25 2jot n ASP 2 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 2jot h THR 3 N 0.00 0.56 0.00 5.18 2.02 -1.94 0.66 112.91 119.40 2jot h THR 3 Ca -0.50 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 66.58 2jot h THR 3 Cb 2.18 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 68.83 2jot h THR 3 CO 0.03 0.06 0.00 0.00 0.37 0.00 0.00 175.52 175.98 2jot n ARG 5 N -1.37 0.71 -3.22 0.00 1.74 0.21 -2.84 116.66 111.90 2jot n ARG 5 Ca 0.07 -0.13 -0.39 0.00 -0.77 0.00 0.00 57.85 56.63 2jot n ARG 5 Cb 0.17 -1.47 -0.06 0.00 -1.02 0.00 0.00 32.46 30.08 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 -4.65 4.27 0.17 0.55 0.05 -0.06 -4.92 118.68 114.09 2jot s LEU 6 Ca -0.08 0.92 -0.30 0.00 0.05 0.00 0.00 54.13 54.72 2jot s LEU 6 Cb 0.11 -2.82 -0.08 0.00 -2.05 0.00 0.00 46.19 41.34 2jot s LEU 6 CO 0.80 -0.06 1.21 -2.16 -0.55 0.00 0.00 176.35 175.59 2jot s PRO 7 N 0.80 4.48 -0.10 1.48 0.04 -1.26 -4.70 135.00 135.73 2jot s PRO 7 Ca 0.29 1.88 -0.21 0.00 0.04 0.00 0.00 61.00 63.01 2jot s PRO 7 Cb -0.16 -3.25 -0.04 0.00 0.04 0.00 0.00 34.50 31.10 2jot s PRO 7 CO 0.13 -0.12 0.60 -1.12 0.04 0.00 0.00 177.00 176.52 2jot s SER 8 N 0.25 6.83 0.05 6.66 0.01 -1.26 -5.01 113.70 121.23 2jot s SER 8 Ca 0.54 0.99 -0.18 0.00 1.31 0.00 0.00 55.95 58.61 2jot s SER 8 Cb -0.33 -2.35 -0.06 0.00 0.21 0.00 0.00 66.02 63.49 2jot s SER 8 CO 0.36 -0.09 0.52 -1.81 0.41 0.00 0.00 173.24 172.63 2jot s ASP 9 N 0.77 6.99 0.00 2.44 1.01 0.52 -4.96 116.67 123.44 2jot s ASP 9 Ca 0.32 1.17 0.25 0.00 0.71 0.00 0.00 52.55 55.00 2jot s ASP 9 Cb -0.16 -2.33 0.53 0.00 1.01 0.00 0.00 42.92 41.97 2jot s ASP 9 CO 0.14 0.29 1.43 -2.11 0.21 0.00 0.00 175.17 175.13 2jot n ARG 10 N 1.78 0.13 -1.42 8.23 1.85 -1.25 -3.40 116.66 122.58 2jot n ARG 10 Ca -0.11 -0.08 0.11 0.00 -1.00 0.00 0.00 57.85 56.77 2jot n ARG 10 Cb 0.51 -1.50 -0.06 0.00 -1.05 0.00 0.00 32.46 30.36 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 1.47 -3.21 0.04 2.89 0.00 0.32 -0.11 105.19 106.59 2jot n GLY 11 Ca 0.07 -0.85 0.05 0.00 0.00 0.00 0.00 46.02 45.28 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 -3.72 3.32 0.00 1.61 0.63 -1.26 -3.91 116.66 113.34 2jot n ARG 12 Ca -0.06 -0.10 0.00 0.00 -0.92 0.00 0.00 57.85 56.77 2jot n ARG 12 Cb 0.57 -1.01 0.00 0.00 0.45 0.00 0.00 32.46 32.46 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 -0.72 3.09 -1.54 0.00 4.01 -1.26 -5.00 118.16 116.73 2jot n LYS 14 Ca 0.00 -4.01 -0.35 0.00 -0.51 0.00 0.00 58.31 53.44 2jot n LYS 14 Cb 0.00 -2.26 -0.05 0.00 -0.51 0.00 0.00 35.03 32.21 2jot n LYS 14 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2jot n ALA 15 N -0.51 0.70 -2.03 7.82 0.00 -1.22 -4.11 120.51 121.15 2jot n ALA 15 Ca 0.47 -0.91 -0.05 0.00 0.00 0.00 0.00 53.44 52.94 2jot n ALA 15 Cb 0.44 -3.12 -0.05 0.00 0.00 0.00 0.00 19.45 16.73 2jot n ALA 15 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2jot n SER 16 N 15.53 -0.73 -3.63 0.00 3.41 -1.23 -4.91 113.62 122.05 2jot n SER 16 Ca 0.41 -1.87 -0.10 0.00 -0.26 0.00 0.00 58.87 57.05 2jot n SER 16 Cb 0.48 0.22 -0.04 0.00 -0.26 0.00 0.00 64.21 64.61 2jot n SER 16 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2jot s PHE 17 N 0.00 -0.22 -0.07 7.33 0.08 -1.00 -5.02 117.98 119.08 2jot s PHE 17 Ca 0.02 -0.09 0.03 0.00 0.12 0.00 0.00 56.93 57.02 2jot s PHE 17 Cb 0.03 0.33 -0.02 0.00 -0.57 0.00 0.00 43.02 42.79 2jot s PHE 17 CO -0.01 -0.78 -0.17 -1.21 -0.10 0.00 0.00 175.22 172.95 2jot s GLU 18 N -3.82 2.72 0.21 0.44 2.02 -1.26 0.14 118.70 119.15 2jot s GLU 18 Ca 0.05 -0.76 0.00 0.00 0.02 0.00 0.00 54.97 54.28 2jot s GLU 18 Cb 0.01 -2.37 -0.05 0.00 0.10 0.00 0.00 34.13 31.82 2jot s GLU 18 CO -0.10 0.46 0.08 1.03 0.02 0.00 0.00 175.26 176.76 2jot s ARG 19 N -0.32 1.23 0.07 1.61 3.00 -0.94 -4.85 118.95 118.75 2jot s ARG 19 Ca 0.02 -1.64 0.05 0.00 0.00 0.00 0.00 55.73 54.16 2jot s ARG 19 Cb -0.13 -0.03 -0.04 0.00 0.00 0.00 0.00 34.95 34.76 2jot s ARG 19 CO 0.02 -0.29 -0.05 -1.58 0.00 0.00 0.00 175.30 173.41 2jot s TRP 20 N -3.90 2.89 -0.09 -0.53 0.52 0.23 -2.95 118.94 115.10 2jot s TRP 20 Ca 0.34 -0.06 -0.04 0.00 0.02 0.00 0.00 56.10 56.36 2jot s TRP 20 Cb 0.07 -1.53 0.05 0.00 -1.15 0.00 0.00 33.47 30.91 2jot s TRP 20 CO 0.10 0.43 0.19 1.52 0.02 0.00 0.00 176.95 179.21 2jot s TYR 21 N -1.19 -0.24 -0.38 -1.98 1.13 -1.13 0.13 117.35 113.70 2jot s TYR 21 Ca 0.22 0.68 -0.29 0.00 -1.41 0.00 0.00 57.07 56.27 2jot s TYR 21 Cb -0.11 -0.15 0.02 0.00 -1.10 0.00 0.00 41.96 40.61 2jot s TYR 21 CO 0.14 -0.27 1.11 -0.59 -2.51 0.00 0.00 175.55 173.43 2jot s PHE 22 N 2.04 3.01 -1.21 -3.49 -0.12 -1.12 -1.64 117.98 115.44 2jot s PHE 22 Ca -0.01 1.01 -0.12 0.00 -0.05 0.00 0.00 56.93 57.77 2jot s PHE 22 Cb -0.12 -3.97 0.19 0.00 -0.63 0.00 0.00 43.02 38.49 2jot s PHE 22 CO -0.07 -0.99 1.49 -1.71 -0.05 0.00 0.00 175.22 173.90 2jot n ASN 23 N 7.26 5.29 0.00 1.98 5.15 0.30 -4.77 115.26 130.47 2jot n ASN 23 Ca 0.12 -3.03 0.00 0.00 -0.60 0.00 0.00 54.58 51.07 2jot n ASN 23 Cb 0.48 -1.52 0.00 0.00 -0.53 0.00 0.00 39.78 38.21 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 3.52 1.51 0.00 8.20 0.00 -1.13 -3.21 105.19 114.08 2jot n GLY 24 Ca 0.35 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.35 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 0.36 -3.81 1.61 0.00 -1.26 -4.95 116.66 108.61 2jot n ARG 25 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 57.85 57.53 2jot n ARG 25 Cb 0.00 -0.61 -0.04 0.00 -0.00 0.00 0.00 32.46 31.81 2jot n ARG 25 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 2jot s THR 26 N -1.22 5.30 0.61 8.89 2.01 -1.20 -4.82 115.64 125.22 2jot s THR 26 Ca 0.00 -0.17 -0.02 0.00 0.31 0.00 0.00 61.69 61.81 2jot s THR 26 Cb 0.00 -3.62 0.04 0.00 0.01 0.00 0.00 72.50 68.93 2jot s THR 26 CO 0.00 0.13 0.87 0.00 -0.69 0.00 0.00 174.62 174.93 2jot s ALA 28 N -2.96 0.27 -0.07 0.00 0.00 -0.65 -4.79 121.76 113.55 2jot s ALA 28 Ca 0.58 -1.24 -0.08 0.00 0.00 0.00 0.00 51.96 51.22 2jot s ALA 28 Cb -0.10 1.05 0.02 0.00 0.00 0.00 0.00 23.12 24.08 2jot s ALA 28 CO 0.41 -0.84 0.22 0.21 0.00 0.00 0.00 175.76 175.76 2jot s LYS 29 N -3.12 0.31 0.32 0.00 2.20 -1.26 -2.82 119.74 115.37 2jot s LYS 29 Ca 0.26 0.21 -0.18 0.00 -0.36 0.00 0.00 55.97 55.90 2jot s LYS 29 Cb -0.01 0.15 0.05 0.00 -1.51 0.00 0.00 37.83 36.51 2jot s LYS 29 CO 0.16 -0.05 0.82 -0.59 -0.36 0.00 0.00 175.35 175.33 2jot s PHE 30 N -0.12 0.03 -0.59 4.03 -0.12 -1.15 -5.02 117.98 115.04 2jot s PHE 30 Ca -0.02 -0.61 -0.22 0.00 -0.05 0.00 0.00 56.93 56.03 2jot s PHE 30 Cb -0.02 0.78 0.06 0.00 -0.63 0.00 0.00 43.02 43.21 2jot s PHE 30 CO 0.01 -1.38 0.87 0.42 -0.05 0.00 0.00 175.22 175.09 2jot s ILE 31 N -2.70 4.48 -0.10 -4.49 -1.09 -1.26 -2.22 121.20 113.83 2jot s ILE 31 Ca 0.15 -0.24 -0.20 0.00 -2.23 0.00 0.00 60.65 58.12 2jot s ILE 31 Cb -0.05 -4.55 -0.04 0.00 -1.58 0.00 0.00 42.46 36.24 2jot s ILE 31 CO 0.09 -1.21 0.58 -0.47 -1.23 0.00 0.00 174.94 172.70 2jot s TYR 32 N 3.65 3.53 -0.13 3.97 6.14 0.38 -4.63 117.35 130.27 2jot s TYR 32 Ca 0.22 1.04 0.08 0.00 0.64 0.00 0.00 57.07 59.05 2jot s TYR 32 Cb -0.17 -2.67 -0.13 0.00 0.42 0.00 0.00 41.96 39.42 2jot s TYR 32 CO 0.13 0.12 -0.01 0.41 0.64 0.00 0.00 175.55 176.84 2jot n GLY 33 N 3.23 -0.47 0.00 8.97 0.00 0.84 -2.38 105.19 115.37 2jot n GLY 33 Ca -0.04 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 2.42 0.39 3.36 -0.02 0.00 -1.24 -4.07 105.19 106.03 2jot n GLY 34 Ca -0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.43 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 4.90 1.77 3.24 0.00 0.00 -1.22 0.12 105.19 114.00 2jot n GLY 36 Ca -0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.00 1.94 0.00 -0.02 0.00 -1.22 -0.35 107.32 105.67 2jot s GLY 37 Ca 0.00 -2.14 0.00 0.00 0.00 0.00 0.00 44.72 42.58 2jot s GLY 37 CO 0.00 0.94 0.00 1.16 0.00 0.00 0.00 173.10 175.20 2jot n ASN 38 N 4.84 0.00 0.00 1.64 0.23 -1.26 -5.02 115.26 115.69 2jot n ASN 38 Ca -0.09 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.96 2jot n ASN 38 Cb 0.43 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.13 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 3.91 0.77 0.08 4.83 0.00 -1.26 -4.82 105.19 108.70 2jot n GLY 39 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.00 0.55 -4.92 1.61 2.85 -1.26 -4.84 115.26 109.25 2jot n ASN 40 Ca 0.00 0.23 -0.26 0.00 -0.11 0.00 0.00 54.58 54.44 2jot n ASN 40 Cb 0.24 0.72 0.03 0.00 1.24 0.00 0.00 39.78 42.01 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 -3.06 2.91 -0.28 1.20 -2.85 -1.26 -2.81 119.74 113.60 2jot s LYS 41 Ca -0.05 -0.05 -0.25 0.00 -1.00 0.00 0.00 55.97 54.62 2jot s LYS 41 Cb 0.10 -2.29 0.10 0.00 -2.06 0.00 0.00 37.83 33.67 2jot s LYS 41 CO 0.83 -0.68 0.90 -0.06 0.10 0.00 0.00 175.35 176.44 2jot s PHE 42 N -2.96 -0.61 0.17 1.78 0.08 0.36 -4.92 117.98 111.87 2jot s PHE 42 Ca 0.54 1.49 -0.15 0.00 0.12 0.00 0.00 56.93 58.93 2jot s PHE 42 Cb -0.10 0.33 0.06 0.00 -0.57 0.00 0.00 43.02 42.74 2jot s PHE 42 CO 0.45 -0.30 1.82 -1.35 -0.10 0.00 0.00 175.22 175.74 2jot h PRO 43 N 4.59 0.58 -6.51 0.24 0.11 -1.91 0.65 132.00 129.76 2jot h PRO 43 Ca -0.29 -0.04 -0.67 0.00 0.11 0.00 0.00 66.00 65.12 2jot h PRO 43 Cb 1.17 -0.13 -0.17 0.00 0.11 0.00 0.00 31.00 31.97 2jot h PRO 43 CO 0.08 0.39 -0.75 0.95 -0.21 0.00 0.00 178.00 178.46 2jot s THR 44 N -6.15 3.28 0.45 -1.15 -4.23 -1.26 -4.44 115.64 102.14 2jot s THR 44 Ca -0.13 -1.17 0.23 0.00 -1.18 0.00 0.00 61.69 59.45 2jot s THR 44 Cb 0.12 -2.48 0.26 0.00 1.34 0.00 0.00 72.50 71.74 2jot s THR 44 CO 0.73 0.21 2.07 -0.61 -0.54 0.00 0.00 174.62 176.49 2jot h GLN 45 N 3.98 0.00 -0.83 3.99 4.15 -1.96 -2.55 115.11 121.88 2jot h GLN 45 Ca -0.49 0.00 0.08 0.00 0.77 0.00 0.00 58.65 59.01 2jot h GLN 45 Cb 1.16 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 28.79 2jot h GLN 45 CO 0.51 0.12 0.50 1.49 -1.93 0.00 0.00 178.83 179.52 2jot h GLU 46 N 0.00 0.85 0.00 1.69 4.81 -1.97 0.02 114.58 119.97 2jot h GLU 46 Ca -0.00 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.09 2jot h GLU 46 Cb 0.28 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 2jot h GLU 46 CO 0.02 0.56 -0.40 0.00 -0.73 0.00 0.00 179.01 178.46 2jot h ALA 47 N 1.43 1.01 0.00 2.92 0.00 -1.87 -2.19 119.26 120.56 2jot h ALA 47 Ca 0.38 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.83 2jot h ALA 47 Cb 0.26 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2jot h ALA 47 CO -0.21 0.50 -0.46 0.00 0.00 0.00 0.00 179.25 179.08 2jot h MET 49 N 0.00 0.03 0.00 0.00 2.07 -1.22 -3.04 114.93 112.77 2jot h MET 49 Ca -0.00 -0.06 0.00 0.00 -2.07 0.00 0.00 59.70 57.57 2jot h MET 49 Cb 0.84 0.02 0.00 0.00 -1.87 0.00 0.00 31.60 30.59 2jot h MET 49 CO 0.06 1.03 0.00 0.36 1.07 0.00 0.00 176.91 179.43 2jot n LYS 50 N -4.34 0.05 -0.12 1.72 2.85 -0.84 0.11 118.16 117.60 2jot n LYS 50 Ca -0.31 0.27 -0.23 0.00 -1.05 0.00 0.00 58.31 56.99 2jot n LYS 50 Cb 0.71 -1.50 -0.09 0.00 -0.65 0.00 0.00 35.03 33.50 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 -1.43 0.52 -0.08 -1.58 3.00 -0.92 -3.81 116.66 112.35 2jot n ARG 51 Ca 0.04 0.20 -0.06 0.00 -0.00 0.00 0.00 57.85 58.02 2jot n ARG 51 Cb 0.12 -1.37 -0.15 0.00 0.00 0.00 0.00 32.46 31.06 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 1.03 0.63 0.00 0.00 0.00 0.71 -3.40 119.26 118.23 2jot h ALA 53 Ca -0.43 -0.87 -0.08 0.00 0.00 0.00 0.00 54.91 53.53 2jot h ALA 53 Cb 1.96 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.90 2jot h ALA 53 CO 0.02 1.02 -1.06 1.63 0.00 0.00 0.00 179.25 180.86 2jot n LYS 54 N -3.07 0.51 0.00 0.00 5.02 0.81 -4.95 118.16 116.48 2jot n LYS 54 Ca -0.07 0.35 0.14 0.00 -2.02 0.00 0.00 58.31 56.72 2jot n LYS 54 Cb 0.87 -1.55 0.58 0.00 -0.02 0.00 0.00 35.03 34.91 2jot n LYS 54 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88