#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 1.76 0.07 9.51 8.00 -1.26 -4.28 116.55 130.34 2jot n ASP 2 Ca 0.00 0.20 0.05 0.00 0.71 0.00 0.00 54.79 55.75 2jot n ASP 2 Cb 0.00 -0.60 -0.04 0.00 -0.02 0.00 0.00 41.12 40.46 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 -0.65 0.27 0.00 -3.53 2.02 -1.98 -3.32 112.91 105.72 2jot h THR 3 Ca -0.56 -1.53 0.00 0.00 0.77 0.00 0.00 66.41 65.09 2jot h THR 3 Cb 1.55 1.79 0.00 0.00 -1.74 0.00 0.00 68.15 69.75 2jot h THR 3 CO -0.29 0.15 0.00 0.00 0.37 0.00 0.00 175.52 175.75 2jot n ARG 5 N -2.18 1.96 -3.09 0.00 1.85 -1.25 -3.76 116.66 110.20 2jot n ARG 5 Ca 0.05 -1.40 -0.35 0.00 -1.00 0.00 0.00 57.85 55.14 2jot n ARG 5 Cb 0.38 -1.47 -0.06 0.00 -1.05 0.00 0.00 32.46 30.25 2jot n ARG 5 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2jot s LEU 6 N -1.99 4.28 -0.44 2.89 1.43 -1.15 -4.75 118.68 118.95 2jot s LEU 6 Ca 0.34 1.41 -0.24 0.00 -1.03 0.00 0.00 54.13 54.61 2jot s LEU 6 Cb 0.21 -3.72 0.02 0.00 0.03 0.00 0.00 46.19 42.73 2jot s LEU 6 CO 0.32 -0.03 0.82 -2.16 0.23 0.00 0.00 176.35 175.53 2jot s PRO 7 N -2.20 3.48 0.12 1.29 0.04 -1.26 -4.74 135.00 131.73 2jot s PRO 7 Ca 0.46 0.01 -0.25 0.00 0.04 0.00 0.00 61.00 61.26 2jot s PRO 7 Cb -0.15 -3.92 -0.07 0.00 0.04 0.00 0.00 34.50 30.40 2jot s PRO 7 CO 0.20 -1.11 0.75 -1.12 0.04 0.00 0.00 177.00 175.77 2jot s SER 8 N 2.13 7.31 0.16 6.66 0.01 -1.26 -4.86 113.70 123.84 2jot s SER 8 Ca 0.32 1.55 -0.06 0.00 1.31 0.00 0.00 55.95 59.07 2jot s SER 8 Cb -0.12 -2.48 -0.06 0.00 0.21 0.00 0.00 66.02 63.58 2jot s SER 8 CO 0.23 0.16 0.42 -0.62 0.41 0.00 0.00 173.24 173.83 2jot s ASP 9 N -0.81 6.52 0.00 2.44 2.15 -1.20 -4.99 116.67 120.78 2jot s ASP 9 Ca 0.36 0.66 0.26 0.00 0.43 0.00 0.00 52.55 54.26 2jot s ASP 9 Cb -0.22 -2.12 0.65 0.00 -0.30 0.00 0.00 42.92 40.94 2jot s ASP 9 CO 0.25 0.02 1.50 -2.11 -0.17 0.00 0.00 175.17 174.66 2jot n ARG 10 N 0.02 0.51 -2.39 4.34 -4.01 -1.26 -3.65 116.66 110.22 2jot n ARG 10 Ca -0.02 -0.30 -0.01 0.00 -1.04 0.00 0.00 57.85 56.48 2jot n ARG 10 Cb 0.52 -1.49 -0.01 0.00 -3.04 0.00 0.00 32.46 28.44 2jot n ARG 10 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 2jot n GLY 11 N 1.40 -4.87 0.00 2.89 0.00 0.14 0.10 105.19 104.85 2jot n GLY 11 Ca 0.10 0.39 0.09 0.00 0.00 0.00 0.00 46.02 46.59 2jot n GLY 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jot n ARG 12 N 1.88 0.15 0.00 1.61 1.74 -1.26 -2.47 116.66 118.30 2jot n ARG 12 Ca -0.08 0.15 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 2jot n ARG 12 Cb 0.12 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.06 2jot n ARG 12 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2jot n LYS 14 N -0.80 2.94 -1.51 0.00 4.01 -1.25 -5.01 118.16 116.53 2jot n LYS 14 Ca 0.00 -3.64 -0.35 0.00 -0.51 0.00 0.00 58.31 53.81 2jot n LYS 14 Cb 0.00 -2.21 -0.15 0.00 -0.51 0.00 0.00 35.03 32.16 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 -0.87 0.54 -1.66 7.82 0.00 -1.23 -4.09 120.51 121.03 2jot n ALA 15 Ca 0.50 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2jot n ALA 15 Cb 0.89 -2.45 0.00 0.00 0.00 0.00 0.00 19.45 17.88 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 10.34 0.00 -3.58 0.00 7.64 -1.26 -4.83 113.62 121.94 2jot n SER 16 Ca 0.62 -0.67 -0.18 0.00 1.01 0.00 0.00 58.87 59.65 2jot n SER 16 Cb 0.13 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.19 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 0.00 -0.19 0.27 1.43 0.08 -1.08 -4.97 117.98 113.52 2jot s PHE 17 Ca 0.00 0.33 -0.29 0.00 0.12 0.00 0.00 56.93 57.09 2jot s PHE 17 Cb 0.00 -0.35 -0.10 0.00 -0.57 0.00 0.00 43.02 42.00 2jot s PHE 17 CO 0.00 -0.46 1.26 -1.21 -0.10 0.00 0.00 175.22 174.71 2jot s GLU 18 N 2.30 4.43 0.29 0.44 0.41 -1.26 0.19 118.70 125.49 2jot s GLU 18 Ca 0.05 2.07 -0.01 0.00 -0.41 0.00 0.00 54.97 56.67 2jot s GLU 18 Cb -0.14 -3.14 -0.02 0.00 -1.78 0.00 0.00 34.13 29.05 2jot s GLU 18 CO -0.09 -0.13 0.33 1.03 -0.49 0.00 0.00 175.26 175.91 2jot s ARG 19 N -1.11 1.62 0.10 1.61 0.52 -0.71 -4.81 118.95 116.18 2jot s ARG 19 Ca 0.51 -1.72 0.08 0.00 -0.52 0.00 0.00 55.73 54.08 2jot s ARG 19 Cb -0.37 0.37 -0.04 0.00 0.52 0.00 0.00 34.95 35.43 2jot s ARG 19 CO 0.45 -0.62 -0.17 -1.58 0.02 0.00 0.00 175.30 173.40 2jot s TRP 20 N -3.60 2.57 -0.07 -0.53 0.52 0.28 -2.95 118.94 115.16 2jot s TRP 20 Ca 0.34 -0.25 -0.05 0.00 0.02 0.00 0.00 56.10 56.16 2jot s TRP 20 Cb 0.02 -1.38 0.02 0.00 -1.15 0.00 0.00 33.47 30.98 2jot s TRP 20 CO 0.18 0.36 0.18 1.52 0.02 0.00 0.00 176.95 179.22 2jot s TYR 21 N -1.11 -0.20 -0.39 -1.98 1.13 -1.04 0.12 117.35 113.87 2jot s TYR 21 Ca 0.18 0.51 -0.29 0.00 -1.41 0.00 0.00 57.07 56.06 2jot s TYR 21 Cb -0.11 0.04 0.00 0.00 -1.10 0.00 0.00 41.96 40.80 2jot s TYR 21 CO 0.09 -0.12 1.51 0.12 -2.51 0.00 0.00 175.55 174.64 2jot s PHE 22 N 0.41 2.25 -0.92 -3.49 2.19 -1.05 -0.26 117.98 117.10 2jot s PHE 22 Ca -0.03 0.66 -0.03 0.00 0.33 0.00 0.00 56.93 57.86 2jot s PHE 22 Cb -0.04 -4.27 0.23 0.00 -1.31 0.00 0.00 43.02 37.63 2jot s PHE 22 CO -0.02 -2.24 0.83 1.21 1.83 0.00 0.00 175.22 176.83 2jot s ASN 23 N 4.48 6.20 0.00 6.13 2.47 0.10 -4.54 114.94 129.78 2jot s ASN 23 Ca 0.66 -3.69 0.00 0.00 0.42 0.00 0.00 52.86 50.25 2jot s ASN 23 Cb -0.16 -1.96 0.00 0.00 -1.45 0.00 0.00 41.25 37.69 2jot s ASN 23 CO 0.33 -0.20 0.00 0.61 -3.72 0.00 0.00 177.10 174.12 2jot n GLY 24 N 2.41 1.89 0.00 1.21 0.00 -1.25 -3.47 105.19 105.99 2jot n GLY 24 Ca 0.22 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.39 -4.28 1.61 0.00 -1.26 -4.71 116.66 107.62 2jot n ARG 25 Ca 0.00 -0.21 -0.15 0.00 -0.00 0.00 0.00 57.85 57.48 2jot n ARG 25 Cb 0.00 -0.71 -0.10 0.00 -0.00 0.00 0.00 32.46 31.65 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 -0.00 1.04 -0.29 8.89 2.01 -1.23 -5.13 115.64 120.94 2jot s THR 26 Ca 0.00 -2.04 -0.14 0.00 0.31 0.00 0.00 61.69 59.82 2jot s THR 26 Cb 0.00 -2.09 -0.03 0.00 0.01 0.00 0.00 72.50 70.38 2jot s THR 26 CO 0.00 -0.53 0.31 0.00 -0.69 0.00 0.00 174.62 173.71 2jot s ALA 28 N 1.96 3.47 -0.04 0.00 0.00 0.64 -4.84 121.76 122.95 2jot s ALA 28 Ca 0.12 -1.59 -0.03 0.00 0.00 0.00 0.00 51.96 50.45 2jot s ALA 28 Cb -0.16 -2.15 0.01 0.00 0.00 0.00 0.00 23.12 20.82 2jot s ALA 28 CO 0.11 -1.56 0.10 0.21 0.00 0.00 0.00 175.76 174.62 2jot s LYS 29 N -5.24 0.11 0.34 0.00 2.20 -1.26 -2.51 119.74 113.38 2jot s LYS 29 Ca 0.67 0.13 -0.18 0.00 -0.36 0.00 0.00 55.97 56.23 2jot s LYS 29 Cb -0.06 0.05 0.05 0.00 -1.51 0.00 0.00 37.83 36.37 2jot s LYS 29 CO 0.45 -0.01 0.79 -0.59 -0.36 0.00 0.00 175.35 175.63 2jot s PHE 30 N 0.05 0.03 -0.62 4.03 -0.12 -1.15 -5.01 117.98 115.19 2jot s PHE 30 Ca -0.00 -0.62 -0.22 0.00 -0.05 0.00 0.00 56.93 56.04 2jot s PHE 30 Cb -0.01 0.79 0.07 0.00 -0.63 0.00 0.00 43.02 43.25 2jot s PHE 30 CO 0.00 -1.43 0.89 0.42 -0.05 0.00 0.00 175.22 175.05 2jot s ILE 31 N -2.75 4.47 -0.42 -4.49 1.09 -1.26 -1.74 121.20 116.10 2jot s ILE 31 Ca 0.15 -0.40 -0.23 0.00 -1.10 0.00 0.00 60.65 59.07 2jot s ILE 31 Cb -0.05 -4.60 0.02 0.00 -1.06 0.00 0.00 42.46 36.77 2jot s ILE 31 CO 0.10 -1.30 0.76 -0.47 -0.10 0.00 0.00 174.94 173.93 2jot s TYR 32 N 3.69 3.04 -0.03 3.97 5.04 0.50 -4.59 117.35 128.97 2jot s TYR 32 Ca 0.21 0.26 0.12 0.00 -2.44 0.00 0.00 57.07 55.22 2jot s TYR 32 Cb -0.18 -3.53 -0.00 0.00 0.35 0.00 0.00 41.96 38.60 2jot s TYR 32 CO 0.11 -0.88 1.40 0.78 -1.34 0.00 0.00 175.55 175.61 2jot h GLY 33 N 9.94 0.00 0.00 8.97 0.00 0.98 -2.86 103.07 120.09 2jot h GLY 33 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.08 2jot h GLY 33 CO 0.93 0.00 0.00 0.61 0.00 0.00 0.00 176.54 178.08 2jot n GLY 34 N 1.21 0.20 3.14 4.60 0.00 -1.24 -3.90 105.19 109.20 2jot n GLY 34 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 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 3.91 -0.44 2.03 0.00 0.00 -1.24 0.23 105.19 109.69 2jot n GLY 36 Ca 0.05 -0.22 -0.01 0.00 0.00 0.00 0.00 46.02 45.83 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 1.66 0.42 3.38 -0.02 0.00 -1.26 -3.21 105.19 106.16 2jot n GLY 37 Ca -0.25 -0.95 -0.16 0.00 0.00 0.00 0.00 46.02 44.65 2jot n GLY 37 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2jot s ASN 38 N -2.97 1.15 0.00 1.61 3.84 -1.26 -4.96 114.94 112.35 2jot s ASN 38 Ca 0.00 -1.58 0.06 0.00 0.21 0.00 0.00 52.86 51.55 2jot s ASN 38 Cb 0.00 0.59 0.05 0.00 -0.55 0.00 0.00 41.25 41.34 2jot s ASN 38 CO 0.00 -1.16 0.71 0.61 -2.79 0.00 0.00 177.10 174.47 2jot n GLY 39 N -0.56 -0.75 0.48 1.21 0.00 -1.26 -4.52 105.19 99.78 2jot n GLY 39 Ca 0.04 -0.18 0.14 0.00 0.00 0.00 0.00 46.02 46.02 2jot n GLY 39 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2jot n ASN 40 N 0.34 1.53 -4.81 1.61 6.94 -1.26 -4.93 115.26 114.69 2jot n ASN 40 Ca 0.04 -1.44 -0.31 0.00 -0.02 0.00 0.00 54.58 52.84 2jot n ASN 40 Cb 0.16 0.02 0.05 0.00 -2.36 0.00 0.00 39.78 37.65 2jot n ASN 40 CO 0.00 0.00 0.00 -1.59 -1.03 0.00 0.00 177.26 174.64 2jot s LYS 41 N -2.08 2.91 -0.05 -3.83 -2.85 -1.26 -2.51 119.74 110.07 2jot s LYS 41 Ca 0.35 1.06 -0.30 0.00 -1.00 0.00 0.00 55.97 56.08 2jot s LYS 41 Cb 0.21 -1.98 0.08 0.00 -2.06 0.00 0.00 37.83 34.07 2jot s LYS 41 CO 0.36 -1.13 0.72 -0.06 0.10 0.00 0.00 175.35 175.34 2jot s PHE 42 N -2.87 -0.61 -0.02 1.78 0.08 0.31 -4.93 117.98 111.72 2jot s PHE 42 Ca 0.60 0.99 -0.23 0.00 0.12 0.00 0.00 56.93 58.41 2jot s PHE 42 Cb -0.15 0.43 -0.22 0.00 -0.57 0.00 0.00 43.02 42.51 2jot s PHE 42 CO 0.51 -0.59 1.11 -1.00 -0.10 0.00 0.00 175.22 175.15 2jot h PRO 43 N 2.85 0.24 -5.61 0.24 0.13 -1.93 0.82 132.00 128.74 2jot h PRO 43 Ca -0.26 -0.22 -0.61 0.00 -0.87 0.00 0.00 66.00 64.04 2jot h PRO 43 Cb 1.16 0.05 -0.13 0.00 0.13 0.00 0.00 31.00 32.21 2jot h PRO 43 CO 0.38 0.90 -0.61 0.95 -0.23 0.00 0.00 178.00 179.39 2jot s THR 44 N -3.41 1.90 0.19 1.56 -4.23 -1.26 -3.89 115.64 106.50 2jot s THR 44 Ca -0.15 -2.01 0.10 0.00 -1.18 0.00 0.00 61.69 58.45 2jot s THR 44 Cb 0.02 -2.95 -0.06 0.00 1.34 0.00 0.00 72.50 70.85 2jot s THR 44 CO 0.75 -0.01 1.51 0.06 -0.54 0.00 0.00 174.62 176.40 2jot h GLN 45 N 1.83 0.00 0.00 3.99 3.07 -1.95 -3.04 115.11 119.01 2jot h GLN 45 Ca -0.43 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.29 2jot h GLN 45 Cb 1.24 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.80 2jot h GLN 45 CO 0.79 0.71 -0.09 1.49 0.09 0.00 0.00 178.83 181.82 2jot h GLU 46 N 0.00 0.00 0.02 0.06 4.81 -1.99 -2.46 114.58 115.02 2jot h GLU 46 Ca -0.01 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2jot h GLU 46 Cb 1.30 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.68 2jot h GLU 46 CO 0.09 0.09 -0.01 0.00 -0.73 0.00 0.00 179.01 178.45 2jot h ALA 47 N 1.91 -0.02 -0.81 2.92 0.00 -1.95 -2.58 119.26 118.73 2jot h ALA 47 Ca -0.00 -0.36 0.05 0.00 0.00 0.00 0.00 54.91 54.60 2jot h ALA 47 Cb 0.36 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 2jot h ALA 47 CO 0.01 -0.05 0.53 0.00 0.00 0.00 0.00 179.25 179.74 2jot h MET 49 N 0.93 0.00 0.00 0.00 2.07 -1.55 -1.79 114.93 114.59 2jot h MET 49 Ca 0.34 0.00 -0.08 0.00 -2.07 0.00 0.00 59.70 57.89 2jot h MET 49 Cb 0.15 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 29.87 2jot h MET 49 CO -0.11 0.64 -1.20 1.17 1.07 0.00 0.00 176.91 178.48 2jot n LYS 50 N -3.70 0.61 0.00 1.72 4.81 -0.47 0.08 118.16 121.21 2jot n LYS 50 Ca -0.01 0.17 0.12 0.00 -0.87 0.00 0.00 58.31 57.72 2jot n LYS 50 Cb 0.65 -1.82 0.17 0.00 0.02 0.00 0.00 35.03 34.05 2jot n LYS 50 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 2jot n ARG 51 N -2.77 1.12 0.00 1.64 0.00 0.33 -3.61 116.66 113.37 2jot n ARG 51 Ca -0.05 -0.83 0.00 0.00 -0.00 0.00 0.00 57.85 56.97 2jot n ARG 51 Cb 0.69 -1.48 0.00 0.00 0.00 0.00 0.00 32.46 31.66 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 0.00 0.28 0.00 0.00 0.00 -1.11 -3.35 119.26 115.08 2jot h ALA 53 Ca 0.00 -1.21 -0.18 0.00 0.00 0.00 0.00 54.91 53.52 2jot h ALA 53 Cb 0.13 0.47 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 2jot h ALA 53 CO 0.00 1.15 -0.88 -0.22 0.00 0.00 0.00 179.25 179.30 2jot h LYS 54 N 0.08 0.00 -0.03 0.00 3.11 -0.47 -3.48 116.57 115.78 2jot h LYS 54 Ca -0.33 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.51 2jot h LYS 54 Cb 2.06 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 33.29 2jot h LYS 54 CO 0.15 0.88 0.00 0.00 -2.81 0.00 0.00 179.45 177.67