#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 0.04 9.51 8.00 -1.26 -2.47 116.55 130.37 2jot n ASP 2 Ca 0.00 0.52 0.22 0.00 0.71 0.00 0.00 54.79 56.24 2jot n ASP 2 Cb 0.00 -0.02 0.72 0.00 -0.02 0.00 0.00 41.12 41.80 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 0.37 0.00 -3.53 2.02 -1.93 0.43 112.91 110.27 2jot h THR 3 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2jot h THR 3 Cb 0.00 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 67.00 2jot h THR 3 CO 0.00 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.89 2jot n ARG 5 N -1.50 0.65 -3.20 0.00 1.85 0.15 -2.90 116.66 111.71 2jot n ARG 5 Ca 0.03 0.23 -0.41 0.00 -1.00 0.00 0.00 57.85 56.69 2jot n ARG 5 Cb 0.14 -1.73 -0.07 0.00 -1.05 0.00 0.00 32.46 29.75 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 -6.00 4.26 0.60 2.89 2.34 -1.03 -5.01 118.68 116.75 2jot s LEU 6 Ca -0.07 0.13 -0.15 0.00 0.06 0.00 0.00 54.13 54.10 2jot s LEU 6 Cb 0.07 -2.66 -0.03 0.00 -0.56 0.00 0.00 46.19 43.01 2jot s LEU 6 CO 0.82 -0.48 1.06 -2.16 -1.06 0.00 0.00 176.35 174.53 2jot s PRO 7 N 2.48 3.27 -0.13 1.48 0.04 -1.26 -4.54 135.00 136.34 2jot s PRO 7 Ca 0.21 1.19 -0.06 0.00 0.04 0.00 0.00 61.00 62.37 2jot s PRO 7 Cb -0.15 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.32 2jot s PRO 7 CO 0.13 -0.85 0.10 -1.12 0.04 0.00 0.00 177.00 175.30 2jot s SER 8 N -2.87 6.02 0.26 6.66 0.01 -1.26 -4.95 113.70 117.56 2jot s SER 8 Ca 0.63 0.32 -0.10 0.00 1.31 0.00 0.00 55.95 58.11 2jot s SER 8 Cb -0.16 -1.93 -0.07 0.00 0.21 0.00 0.00 66.02 64.06 2jot s SER 8 CO 0.39 0.34 0.59 -1.81 0.41 0.00 0.00 173.24 173.16 2jot s ASP 9 N -0.63 6.63 0.24 2.44 1.01 0.27 -4.98 116.67 121.65 2jot s ASP 9 Ca 0.12 0.97 0.23 0.00 0.71 0.00 0.00 52.55 54.58 2jot s ASP 9 Cb -0.12 -2.24 0.21 0.00 1.01 0.00 0.00 42.92 41.78 2jot s ASP 9 CO 0.02 -0.12 1.29 0.03 0.21 0.00 0.00 175.17 176.61 2jot h ARG 10 N 2.37 0.00 -5.07 8.23 3.08 -1.78 -3.29 114.38 117.92 2jot h ARG 10 Ca -0.47 0.00 0.01 0.00 0.07 0.00 0.00 59.98 59.59 2jot h ARG 10 Cb 1.17 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 31.13 2jot h ARG 10 CO 0.68 0.00 -1.24 0.41 -1.07 0.00 0.00 179.97 178.75 2jot n GLY 11 N 1.21 -4.56 0.23 0.04 0.00 0.29 0.11 105.19 102.51 2jot n GLY 11 Ca 0.02 1.22 0.16 0.00 0.00 0.00 0.00 46.02 47.42 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 4.29 0.00 0.00 1.61 2.43 -1.95 -3.23 114.38 117.54 2jot h ARG 12 Ca -0.38 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.79 2jot h ARG 12 Cb 0.85 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.40 2jot h ARG 12 CO 0.01 0.00 0.00 0.00 -1.51 0.00 0.00 179.97 178.47 2jot n LYS 14 N -0.18 4.18 -1.55 0.00 4.76 -1.26 -5.01 118.16 119.10 2jot n LYS 14 Ca 0.00 -4.68 -0.35 0.00 -2.87 0.00 0.00 58.31 50.41 2jot n LYS 14 Cb 0.00 -2.34 -0.04 0.00 -1.84 0.00 0.00 35.03 30.81 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 -0.20 0.73 -1.93 7.82 0.00 -1.22 -4.19 120.51 121.52 2jot n ALA 15 Ca 0.40 -0.93 -0.05 0.00 0.00 0.00 0.00 53.44 52.86 2jot n ALA 15 Cb 0.34 -3.16 -0.05 0.00 0.00 0.00 0.00 19.45 16.59 2jot n ALA 15 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2jot n SER 16 N 15.77 -0.66 -4.02 0.00 2.88 -1.25 -4.91 113.62 121.43 2jot n SER 16 Ca 0.40 -1.54 -0.09 0.00 -1.33 0.00 0.00 58.87 56.30 2jot n SER 16 Cb 0.51 0.20 -0.06 0.00 -0.75 0.00 0.00 64.21 64.11 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 0.00 0.44 0.02 0.66 0.08 -0.99 -5.02 117.98 113.16 2jot s PHE 17 Ca 0.00 -0.78 0.07 0.00 0.12 0.00 0.00 56.93 56.33 2jot s PHE 17 Cb 0.00 0.12 -0.02 0.00 -0.57 0.00 0.00 43.02 42.55 2jot s PHE 17 CO 0.00 -0.96 -0.20 -2.00 -0.10 0.00 0.00 175.22 171.96 2jot s GLU 18 N -4.03 1.47 0.04 0.44 2.12 -1.26 0.14 118.70 117.61 2jot s GLU 18 Ca 0.24 -0.83 -0.06 0.00 0.36 0.00 0.00 54.97 54.69 2jot s GLU 18 Cb 0.00 -1.50 -0.01 0.00 0.26 0.00 0.00 34.13 32.88 2jot s GLU 18 CO 0.09 0.40 0.10 1.03 -0.54 0.00 0.00 175.26 176.34 2jot s ARG 19 N -0.85 0.59 0.07 4.30 1.81 -0.90 -4.78 118.95 119.19 2jot s ARG 19 Ca 0.07 -0.75 0.01 0.00 -1.72 0.00 0.00 55.73 53.34 2jot s ARG 19 Cb -0.08 0.23 -0.04 0.00 -0.45 0.00 0.00 34.95 34.61 2jot s ARG 19 CO 0.01 -0.15 0.18 -1.58 -0.68 0.00 0.00 175.30 173.08 2jot s TRP 20 N -2.60 3.43 -0.03 -0.53 0.52 0.24 -2.89 118.94 117.08 2jot s TRP 20 Ca -0.05 0.20 -0.10 0.00 0.02 0.00 0.00 56.10 56.17 2jot s TRP 20 Cb -0.01 -1.72 0.01 0.00 -1.15 0.00 0.00 33.47 30.60 2jot s TRP 20 CO -0.05 0.57 0.22 1.52 0.02 0.00 0.00 176.95 179.24 2jot s TYR 21 N -1.48 -0.12 -0.31 -1.98 1.13 -1.07 0.13 117.35 113.65 2jot s TYR 21 Ca 0.34 0.22 -0.11 0.00 -1.41 0.00 0.00 57.07 56.10 2jot s TYR 21 Cb -0.13 0.04 -0.02 0.00 -1.10 0.00 0.00 41.96 40.75 2jot s TYR 21 CO 0.26 -0.27 0.18 -0.59 -2.51 0.00 0.00 175.55 172.62 2jot s PHE 22 N -0.93 3.19 -0.74 -3.49 -0.12 -1.13 -0.68 117.98 114.09 2jot s PHE 22 Ca -0.10 -0.38 -0.14 0.00 -0.05 0.00 0.00 56.93 56.27 2jot s PHE 22 Cb -0.05 -2.39 0.19 0.00 -0.63 0.00 0.00 43.02 40.14 2jot s PHE 22 CO 0.02 -0.39 0.68 1.21 -0.05 0.00 0.00 175.22 176.69 2jot s ASN 23 N 1.66 6.52 0.00 1.98 2.47 0.22 -4.69 114.94 123.11 2jot s ASN 23 Ca 0.05 -2.46 0.00 0.00 0.42 0.00 0.00 52.86 50.87 2jot s ASN 23 Cb -0.17 -2.19 0.00 0.00 -1.45 0.00 0.00 41.25 37.44 2jot s ASN 23 CO 0.08 -0.63 0.00 0.61 -3.72 0.00 0.00 177.10 173.44 2jot n GLY 24 N 4.28 1.45 0.00 1.21 0.00 -1.14 -3.23 105.19 107.76 2jot n GLY 24 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 0.00 -2.33 1.61 1.85 -1.26 -4.99 116.66 111.54 2jot n ARG 25 Ca 0.00 0.00 -0.28 0.00 -1.00 0.00 0.00 57.85 56.57 2jot n ARG 25 Cb 0.00 0.00 0.01 0.00 -1.05 0.00 0.00 32.46 31.42 2jot n ARG 25 CO 0.00 0.00 0.00 -0.08 -0.01 0.00 0.00 177.63 177.54 2jot s THR 26 N -0.62 4.47 0.15 8.89 -1.32 -1.20 -4.70 115.64 121.33 2jot s THR 26 Ca 0.00 0.35 0.03 0.00 -1.21 0.00 0.00 61.69 60.86 2jot s THR 26 Cb 0.00 -3.75 -0.04 0.00 -1.51 0.00 0.00 72.50 67.21 2jot s THR 26 CO 0.00 -0.83 0.27 0.00 -2.21 0.00 0.00 174.62 171.86 2jot s ALA 28 N -1.75 1.18 -0.07 0.00 0.00 0.14 -4.90 121.76 116.37 2jot s ALA 28 Ca 0.34 -1.72 -0.13 0.00 0.00 0.00 0.00 51.96 50.46 2jot s ALA 28 Cb -0.11 1.32 0.03 0.00 0.00 0.00 0.00 23.12 24.35 2jot s ALA 28 CO 0.28 -0.71 0.31 0.21 0.00 0.00 0.00 175.76 175.85 2jot s LYS 29 N -3.48 0.52 0.35 0.00 2.20 -1.26 -2.60 119.74 115.47 2jot s LYS 29 Ca 0.35 0.11 -0.17 0.00 -0.36 0.00 0.00 55.97 55.90 2jot s LYS 29 Cb 0.02 0.24 0.04 0.00 -1.51 0.00 0.00 37.83 36.62 2jot s LYS 29 CO 0.21 -0.11 0.77 -0.59 -0.36 0.00 0.00 175.35 175.26 2jot s PHE 30 N -0.61 0.02 -0.54 4.03 -0.12 -1.14 -5.02 117.98 114.60 2jot s PHE 30 Ca -0.07 -0.63 -0.22 0.00 -0.05 0.00 0.00 56.93 55.96 2jot s PHE 30 Cb -0.04 0.80 0.05 0.00 -0.63 0.00 0.00 43.02 43.20 2jot s PHE 30 CO 0.02 -1.46 0.81 0.42 -0.05 0.00 0.00 175.22 174.96 2jot s ILE 31 N -2.83 4.58 -0.23 -4.49 -1.09 -1.26 -2.12 121.20 113.76 2jot s ILE 31 Ca 0.14 -0.06 -0.21 0.00 -2.23 0.00 0.00 60.65 58.30 2jot s ILE 31 Cb -0.05 -4.45 -0.02 0.00 -1.58 0.00 0.00 42.46 36.36 2jot s ILE 31 CO 0.10 -1.00 0.64 -0.47 -1.23 0.00 0.00 174.94 172.98 2jot s TYR 32 N 3.41 3.33 -0.08 3.97 5.04 0.37 -4.74 117.35 128.65 2jot s TYR 32 Ca 0.24 0.88 -0.09 0.00 -2.44 0.00 0.00 57.07 55.66 2jot s TYR 32 Cb -0.15 -2.83 -0.29 0.00 0.35 0.00 0.00 41.96 39.04 2jot s TYR 32 CO 0.16 -0.26 0.55 0.78 -1.34 0.00 0.00 175.55 175.44 2jot h GLY 33 N 8.59 0.38 0.00 8.97 0.00 0.83 -2.64 103.07 119.21 2jot h GLY 33 Ca -0.29 -0.97 0.00 0.00 0.00 0.00 0.00 47.33 46.07 2jot h GLY 33 CO 0.78 0.85 0.00 0.61 0.00 0.00 0.00 176.54 178.78 2jot n GLY 34 N 1.91 0.43 3.29 4.60 0.00 -1.19 -4.00 105.19 110.24 2jot n GLY 34 Ca -0.27 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.38 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 4.81 1.20 2.84 0.00 0.00 -1.24 0.11 105.19 112.91 2jot n GLY 36 Ca -0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 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 1.13 0.00 -0.02 0.00 -1.26 0.98 107.32 106.15 2jot s GLY 37 Ca 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 44.72 43.39 2jot s GLY 37 CO 0.00 1.22 0.00 1.16 0.00 0.00 0.00 173.10 175.48 2jot n ASN 38 N 4.78 0.00 0.00 1.64 0.23 -1.26 -5.01 115.26 115.64 2jot n ASN 38 Ca -0.08 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.97 2jot n ASN 38 Cb 0.44 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.14 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 3.71 0.56 0.10 4.83 0.00 -1.26 -4.81 105.19 108.31 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 -2.22 1.61 -0.73 -1.80 -3.48 115.58 108.96 2jot h ASN 40 Ca 0.00 0.00 -0.46 0.00 1.87 0.00 0.00 56.30 57.71 2jot h ASN 40 Cb 0.42 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 39.00 2jot h ASN 40 CO 0.00 0.50 -0.36 -1.59 -0.37 0.00 0.00 177.43 175.61 2jot s LYS 41 N -2.98 3.36 0.06 6.67 0.00 -1.26 -2.83 119.74 122.75 2jot s LYS 41 Ca -0.02 -0.74 -0.21 0.00 0.00 0.00 0.00 55.97 54.99 2jot s LYS 41 Cb 0.09 -2.83 0.05 0.00 0.00 0.00 0.00 37.83 35.14 2jot s LYS 41 CO 0.81 0.28 0.50 -0.06 0.00 0.00 0.00 175.35 176.88 2jot s PHE 42 N -2.10 -0.40 0.05 1.78 0.08 0.35 -4.90 117.98 112.86 2jot s PHE 42 Ca 0.38 0.39 0.23 0.00 0.12 0.00 0.00 56.93 58.05 2jot s PHE 42 Cb -0.09 0.33 0.75 0.00 -0.57 0.00 0.00 43.02 43.44 2jot s PHE 42 CO 0.31 -0.65 1.75 -1.00 -0.10 0.00 0.00 175.22 175.53 2jot h PRO 43 N 2.74 0.00 -5.02 0.24 0.13 -1.88 0.68 132.00 128.89 2jot h PRO 43 Ca -0.31 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.42 2jot h PRO 43 Cb 1.22 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.10 2jot h PRO 43 CO 0.42 0.26 -0.78 0.95 -0.23 0.00 0.00 178.00 178.61 2jot s THR 44 N -3.51 0.89 0.41 1.56 -4.23 -1.26 -4.68 115.64 104.82 2jot s THR 44 Ca 0.02 -0.86 0.26 0.00 -1.18 0.00 0.00 61.69 59.92 2jot s THR 44 Cb 0.09 -0.82 0.27 0.00 1.34 0.00 0.00 72.50 73.39 2jot s THR 44 CO 0.66 -0.03 2.05 -0.61 -0.54 0.00 0.00 174.62 176.15 2jot h GLN 45 N 5.08 0.00 -0.77 3.99 4.15 -1.94 -2.50 115.11 123.11 2jot h GLN 45 Ca -0.36 0.00 0.11 0.00 0.77 0.00 0.00 58.65 59.18 2jot h GLN 45 Cb 1.18 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.82 2jot h GLN 45 CO 0.45 0.14 0.51 1.05 -1.93 0.00 0.00 178.83 179.04 2jot h GLU 46 N 0.00 0.60 0.02 1.69 4.11 -1.99 -0.20 114.58 118.81 2jot h GLU 46 Ca -0.00 -0.04 -0.21 0.00 0.07 0.00 0.00 59.36 59.18 2jot h GLU 46 Cb 0.36 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 2jot h GLU 46 CO 0.02 0.40 -1.00 0.00 0.07 0.00 0.00 179.01 178.49 2jot h ALA 47 N 1.62 0.36 -0.52 1.06 0.00 -1.85 -2.21 119.26 117.73 2jot h ALA 47 Ca 0.37 -0.87 0.08 0.00 0.00 0.00 0.00 54.91 54.48 2jot h ALA 47 Cb 0.58 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.18 2jot h ALA 47 CO -0.14 1.16 0.16 0.00 0.00 0.00 0.00 179.25 180.43 2jot h MET 49 N 0.32 0.27 0.00 0.00 2.86 -1.58 -3.09 114.93 113.71 2jot h MET 49 Ca 0.25 -0.47 0.00 0.00 -2.06 0.00 0.00 59.70 57.43 2jot h MET 49 Cb 0.31 0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.14 2jot h MET 49 CO -0.29 1.15 0.00 1.17 1.06 0.00 0.00 176.91 180.01 2jot n LYS 50 N -3.48 0.14 -0.13 1.72 4.81 -0.83 0.13 118.16 120.53 2jot n LYS 50 Ca -0.16 0.54 -0.25 0.00 -0.87 0.00 0.00 58.31 57.57 2jot n LYS 50 Cb 1.05 -1.88 -0.10 0.00 0.02 0.00 0.00 35.03 34.12 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 -2.17 0.57 -0.03 1.64 3.00 -0.30 -4.13 116.66 115.23 2jot n ARG 51 Ca 0.00 0.22 0.01 0.00 -0.00 0.00 0.00 57.85 58.08 2jot n ARG 51 Cb 0.10 -1.44 -0.09 0.00 0.00 0.00 0.00 32.46 31.03 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 0.83 0.64 0.00 0.00 0.00 0.94 -3.38 119.26 118.28 2jot h ALA 53 Ca -0.13 -0.11 -0.29 0.00 0.00 0.00 0.00 54.91 54.38 2jot h ALA 53 Cb 1.03 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.79 2jot h ALA 53 CO 0.01 0.12 -2.07 1.63 0.00 0.00 0.00 179.25 178.94 2jot n LYS 54 N -2.82 0.45 0.00 0.00 5.02 0.31 -4.93 118.16 116.19 2jot n LYS 54 Ca 0.00 0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.42 2jot n LYS 54 Cb 0.58 -1.33 0.00 0.00 -0.02 0.00 0.00 35.03 34.26 2jot n LYS 54 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88