#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jot h ASP 2 N 0.00 0.38 -0.29 7.28 3.32 -1.95 -3.35 116.42 121.81 2jot h ASP 2 Ca 0.00 -0.81 0.09 0.00 0.02 0.00 0.00 57.03 56.33 2jot h ASP 2 Cb 0.00 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 2jot h ASP 2 CO 0.00 1.72 0.28 0.74 -1.72 0.00 0.00 179.24 180.26 2jot h THR 3 N 0.07 0.53 0.00 0.35 2.02 -1.95 0.30 112.91 114.23 2jot h THR 3 Ca -0.39 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.79 2jot h THR 3 Cb 2.04 0.78 0.00 0.00 -1.74 0.00 0.00 68.15 69.23 2jot h THR 3 CO 0.10 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.99 2jot n ARG 5 N -1.42 0.45 -3.63 0.00 1.74 0.11 -3.50 116.66 110.39 2jot n ARG 5 Ca 0.06 0.04 -0.36 0.00 -0.77 0.00 0.00 57.85 56.81 2jot n ARG 5 Cb 0.19 -1.69 -0.06 0.00 -1.02 0.00 0.00 32.46 29.88 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 -4.57 5.56 0.47 0.55 2.34 -1.03 -5.03 118.68 116.98 2jot s LEU 6 Ca 0.01 -3.68 -0.20 0.00 0.06 0.00 0.00 54.13 50.32 2jot s LEU 6 Cb 0.12 -1.91 -0.12 0.00 -0.56 0.00 0.00 46.19 43.72 2jot s LEU 6 CO 0.80 -0.19 0.42 -2.65 -1.06 0.00 0.00 176.35 173.66 2jot n PRO 7 N 2.39 0.44 -3.50 1.48 -0.02 -1.26 -4.42 135.00 130.11 2jot n PRO 7 Ca 0.21 0.16 -0.27 0.00 -2.02 0.00 0.00 63.50 61.58 2jot n PRO 7 Cb 0.37 -1.46 -0.03 0.00 -0.02 0.00 0.00 33.50 32.36 2jot n PRO 7 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2jot s SER 8 N -1.02 6.39 0.11 2.55 0.01 -1.26 -4.92 113.70 115.55 2jot s SER 8 Ca 0.64 0.53 -0.15 0.00 1.31 0.00 0.00 55.95 58.28 2jot s SER 8 Cb -0.54 -2.06 -0.07 0.00 0.21 0.00 0.00 66.02 63.56 2jot s SER 8 CO 0.58 -0.15 0.52 -1.81 0.41 0.00 0.00 173.24 172.79 2jot s ASP 9 N -3.34 6.85 0.00 2.44 1.01 -0.95 -4.97 116.67 117.71 2jot s ASP 9 Ca 0.41 1.06 0.27 0.00 0.71 0.00 0.00 52.55 55.00 2jot s ASP 9 Cb -0.11 -2.28 1.01 0.00 1.01 0.00 0.00 42.92 42.55 2jot s ASP 9 CO 0.31 0.17 1.72 -2.11 0.21 0.00 0.00 175.17 175.47 2jot n ARG 10 N 1.12 1.68 -1.53 8.23 1.85 -1.26 -4.50 116.66 122.25 2jot n ARG 10 Ca -0.08 -0.99 -0.04 0.00 -1.00 0.00 0.00 57.85 55.74 2jot n ARG 10 Cb 0.52 -1.47 0.00 0.00 -1.05 0.00 0.00 32.46 30.46 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 1.17 0.02 0.10 2.89 0.00 -0.05 -0.41 105.19 108.91 2jot n GLY 11 Ca 0.19 0.12 -0.03 0.00 0.00 0.00 0.00 46.02 46.29 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 1.51 -0.12 0.00 1.61 0.11 -1.84 -2.51 114.38 113.14 2jot h ARG 12 Ca -0.06 0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.03 2jot h ARG 12 Cb 0.37 0.03 0.00 0.00 1.11 0.00 0.00 29.97 31.48 2jot h ARG 12 CO 0.02 -0.08 0.00 0.00 0.10 0.00 0.00 179.97 180.02 2jot n LYS 14 N 0.00 1.62 -3.93 0.00 4.01 -1.26 -4.88 118.16 113.72 2jot n LYS 14 Ca 0.00 -0.96 -0.23 0.00 -0.51 0.00 0.00 58.31 56.62 2jot n LYS 14 Cb 0.00 -1.21 -0.05 0.00 -0.51 0.00 0.00 35.03 33.25 2jot n LYS 14 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2jot s ALA 15 N -1.64 3.71 -0.31 7.82 0.00 -1.13 -5.12 121.76 125.08 2jot s ALA 15 Ca 0.18 -1.88 0.04 0.00 0.00 0.00 0.00 51.96 50.30 2jot s ALA 15 Cb 0.09 -0.79 0.19 0.00 0.00 0.00 0.00 23.12 22.62 2jot s ALA 15 CO 0.12 -0.08 0.67 -1.54 0.00 0.00 0.00 175.76 174.93 2jot s SER 16 N -3.95 -1.43 -0.06 0.00 1.04 -1.26 -4.25 113.70 103.78 2jot s SER 16 Ca 0.41 -0.01 -0.01 0.00 0.48 0.00 0.00 55.95 56.83 2jot s SER 16 Cb -0.02 1.88 0.03 0.00 0.10 0.00 0.00 66.02 68.01 2jot s SER 16 CO 0.24 -0.24 -0.01 -0.36 0.98 0.00 0.00 173.24 173.85 2jot s PHE 17 N 2.65 0.69 0.03 5.02 0.40 -1.13 -4.91 117.98 120.73 2jot s PHE 17 Ca 0.13 -0.19 -0.30 0.00 -0.60 0.00 0.00 56.93 55.97 2jot s PHE 17 Cb -0.08 -0.76 -0.06 0.00 0.51 0.00 0.00 43.02 42.63 2jot s PHE 17 CO -0.22 -0.29 1.42 -2.00 0.70 0.00 0.00 175.22 174.83 2jot s GLU 18 N 1.66 4.28 0.27 0.44 2.12 -1.26 0.14 118.70 126.36 2jot s GLU 18 Ca 0.00 2.03 0.03 0.00 0.36 0.00 0.00 54.97 57.39 2jot s GLU 18 Cb -0.13 -3.50 -0.04 0.00 0.26 0.00 0.00 34.13 30.73 2jot s GLU 18 CO -0.04 -0.55 0.20 1.03 -0.54 0.00 0.00 175.26 175.36 2jot s ARG 19 N 2.11 1.50 0.13 4.30 1.81 -0.82 -4.89 118.95 123.09 2jot s ARG 19 Ca 0.65 -1.84 0.07 0.00 -1.72 0.00 0.00 55.73 52.89 2jot s ARG 19 Cb -0.33 0.26 -0.04 0.00 -0.45 0.00 0.00 34.95 34.38 2jot s ARG 19 CO 0.28 -0.52 -0.08 -1.58 -0.68 0.00 0.00 175.30 172.72 2jot s TRP 20 N -3.76 2.74 0.17 -0.53 0.52 0.34 -2.95 118.94 115.46 2jot s TRP 20 Ca 0.39 -0.16 -0.14 0.00 0.02 0.00 0.00 56.10 56.21 2jot s TRP 20 Cb 0.05 -1.39 0.01 0.00 -1.15 0.00 0.00 33.47 30.99 2jot s TRP 20 CO 0.20 0.46 0.40 1.52 0.02 0.00 0.00 176.95 179.56 2jot s TYR 21 N -1.42 0.07 0.29 -1.98 1.13 -1.04 0.11 117.35 114.50 2jot s TYR 21 Ca 0.23 -0.42 -0.28 0.00 -1.41 0.00 0.00 57.07 55.19 2jot s TYR 21 Cb -0.10 0.19 -0.09 0.00 -1.10 0.00 0.00 41.96 40.85 2jot s TYR 21 CO 0.15 -0.79 1.01 -0.06 -2.51 0.00 0.00 175.55 173.34 2jot s PHE 22 N -3.90 3.72 -0.45 -3.49 0.08 -1.11 -0.05 117.98 112.78 2jot s PHE 22 Ca 0.11 1.79 0.09 0.00 0.12 0.00 0.00 56.93 59.04 2jot s PHE 22 Cb 0.01 -3.09 0.30 0.00 -0.57 0.00 0.00 43.02 39.67 2jot s PHE 22 CO -0.04 -0.05 0.69 -1.71 -0.10 0.00 0.00 175.22 174.02 2jot n ASN 23 N 1.04 1.55 0.00 1.36 5.15 0.30 -4.69 115.26 119.97 2jot n ASN 23 Ca -0.00 -3.06 0.00 0.00 -0.60 0.00 0.00 54.58 50.92 2jot n ASN 23 Cb 0.47 -0.63 0.00 0.00 -0.53 0.00 0.00 39.78 39.10 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 0.67 2.33 0.02 8.20 0.00 -1.23 -3.27 105.19 111.92 2jot n GLY 24 Ca 0.25 -0.06 -0.02 0.00 0.00 0.00 0.00 46.02 46.19 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 3.20 -4.32 1.61 1.85 -1.26 -4.87 116.66 112.87 2jot n ARG 25 Ca 0.00 -0.00 -0.28 0.00 -1.00 0.00 0.00 57.85 56.56 2jot n ARG 25 Cb 0.00 -1.12 -0.06 0.00 -1.05 0.00 0.00 32.46 30.23 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 -2.12 1.71 0.72 8.89 -1.32 -1.20 -4.83 115.64 117.48 2jot s THR 26 Ca -0.02 -1.77 -0.03 0.00 -1.21 0.00 0.00 61.69 58.65 2jot s THR 26 Cb 0.01 -2.48 0.11 0.00 -1.51 0.00 0.00 72.50 68.63 2jot s THR 26 CO 0.19 0.00 1.00 0.00 -2.21 0.00 0.00 174.62 173.60 2jot s ALA 28 N -3.19 0.87 -0.06 0.00 0.00 0.93 -4.63 121.76 115.69 2jot s ALA 28 Ca 0.65 -1.56 -0.06 0.00 0.00 0.00 0.00 51.96 50.98 2jot s ALA 28 Cb -0.07 1.22 0.02 0.00 0.00 0.00 0.00 23.12 24.29 2jot s ALA 28 CO 0.44 -0.76 0.18 0.21 0.00 0.00 0.00 175.76 175.83 2jot s LYS 29 N -3.31 0.24 0.32 0.00 2.20 -1.26 -2.50 119.74 115.43 2jot s LYS 29 Ca 0.32 0.18 -0.18 0.00 -0.36 0.00 0.00 55.97 55.92 2jot s LYS 29 Cb 0.01 0.11 0.05 0.00 -1.51 0.00 0.00 37.83 36.49 2jot s LYS 29 CO 0.20 -0.04 0.81 -0.59 -0.36 0.00 0.00 175.35 175.37 2jot s PHE 30 N -0.07 0.02 -0.80 4.03 -0.12 -1.15 -5.00 117.98 114.88 2jot s PHE 30 Ca -0.02 -0.58 -0.20 0.00 -0.05 0.00 0.00 56.93 56.08 2jot s PHE 30 Cb -0.02 0.78 0.11 0.00 -0.63 0.00 0.00 43.02 43.25 2jot s PHE 30 CO 0.00 -1.37 1.03 0.42 -0.05 0.00 0.00 175.22 175.25 2jot s ILE 31 N -2.78 4.58 -0.77 -4.49 -1.09 -1.26 -1.95 121.20 113.44 2jot s ILE 31 Ca 0.15 -1.06 -0.21 0.00 -2.23 0.00 0.00 60.65 57.30 2jot s ILE 31 Cb -0.05 -4.72 0.10 0.00 -1.58 0.00 0.00 42.46 36.21 2jot s ILE 31 CO 0.09 -1.46 1.02 -0.47 -1.23 0.00 0.00 174.94 172.89 2jot s TYR 32 N 3.21 2.88 0.51 3.97 5.04 0.36 -4.60 117.35 128.73 2jot s TYR 32 Ca 0.27 -0.94 0.27 0.00 -2.44 0.00 0.00 57.07 54.23 2jot s TYR 32 Cb -0.11 -4.27 1.60 0.00 0.35 0.00 0.00 41.96 39.52 2jot s TYR 32 CO -0.01 -1.56 2.16 0.78 -1.34 0.00 0.00 175.55 175.59 2jot h GLY 33 N 10.87 0.00 0.00 8.97 0.00 -0.26 -3.00 103.07 119.65 2jot h GLY 33 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.23 2jot h GLY 33 CO 1.15 0.00 0.00 0.61 0.00 0.00 0.00 176.54 178.30 2jot n GLY 34 N -1.05 1.16 3.30 4.60 0.00 -1.25 -4.47 105.19 107.48 2jot n GLY 34 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.65 3.43 0.00 0.00 -1.26 -0.87 105.19 110.64 2jot n GLY 36 Ca -0.15 -0.58 -0.07 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.07 -0.49 0.00 -0.02 0.00 -1.26 -2.24 107.32 103.24 2jot s GLY 37 Ca 0.00 1.90 0.00 0.00 0.00 0.00 0.00 44.72 46.62 2jot s GLY 37 CO 0.00 2.30 0.00 1.16 0.00 0.00 0.00 173.10 176.56 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 -0.17 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.88 2jot n ASN 38 Cb 0.54 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.24 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 4.54 -0.04 0.10 4.83 0.00 -1.26 -4.76 105.19 108.60 2jot n GLY 39 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 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 0.75 -4.81 1.61 2.85 -1.26 -4.90 115.26 109.49 2jot n ASN 40 Ca 0.00 0.31 -0.33 0.00 -0.11 0.00 0.00 54.58 54.44 2jot n ASN 40 Cb 0.15 0.50 -0.04 0.00 1.24 0.00 0.00 39.78 41.63 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 -3.19 3.94 -0.12 1.20 -2.85 -1.26 -2.76 119.74 114.70 2jot s LYS 41 Ca -0.02 1.20 -0.29 0.00 -1.00 0.00 0.00 55.97 55.85 2jot s LYS 41 Cb 0.10 -2.13 0.08 0.00 -2.06 0.00 0.00 37.83 33.81 2jot s LYS 41 CO 0.81 -0.29 0.72 -0.06 0.10 0.00 0.00 175.35 176.63 2jot s PHE 42 N -2.19 -0.66 0.08 1.78 0.08 0.29 -4.93 117.98 112.43 2jot s PHE 42 Ca 0.64 1.29 -0.15 0.00 0.12 0.00 0.00 56.93 58.83 2jot s PHE 42 Cb -0.13 0.38 -0.18 0.00 -0.57 0.00 0.00 43.02 42.52 2jot s PHE 42 CO 0.20 -0.52 1.25 -1.00 -0.10 0.00 0.00 175.22 175.05 2jot h PRO 43 N 3.48 0.70 -6.09 0.24 0.13 -1.95 0.98 132.00 129.49 2jot h PRO 43 Ca -0.27 -0.61 -0.55 0.00 -0.87 0.00 0.00 66.00 63.70 2jot h PRO 43 Cb 1.15 0.14 -0.19 0.00 0.13 0.00 0.00 31.00 32.23 2jot h PRO 43 CO 0.29 1.22 -0.80 0.95 -0.23 0.00 0.00 178.00 179.43 2jot s THR 44 N -3.61 1.84 0.37 1.56 -4.23 -1.26 -4.06 115.64 106.25 2jot s THR 44 Ca -0.11 -1.81 0.18 0.00 -1.18 0.00 0.00 61.69 58.77 2jot s THR 44 Cb 0.07 -1.78 0.18 0.00 1.34 0.00 0.00 72.50 72.31 2jot s THR 44 CO 0.89 -0.21 1.92 -0.61 -0.54 0.00 0.00 174.62 176.07 2jot h GLN 45 N 3.51 0.00 -0.34 3.99 4.15 -1.93 -2.52 115.11 121.97 2jot h GLN 45 Ca -0.44 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 58.98 2jot h GLN 45 Cb 1.20 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.87 2jot h GLN 45 CO 0.47 0.25 0.19 1.49 -1.93 0.00 0.00 178.83 179.30 2jot h GLU 46 N 0.00 0.45 -0.20 1.69 4.22 -1.97 0.34 114.58 119.12 2jot h GLU 46 Ca -0.00 -0.04 -0.11 0.00 0.08 0.00 0.00 59.36 59.29 2jot h GLU 46 Cb 0.52 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 2jot h GLU 46 CO 0.03 0.33 -0.30 0.00 -2.18 0.00 0.00 179.01 176.89 2jot h ALA 47 N 1.75 0.30 -0.19 2.92 0.00 -1.88 -2.10 119.26 120.07 2jot h ALA 47 Ca 0.12 -0.41 -0.18 0.00 0.00 0.00 0.00 54.91 54.45 2jot h ALA 47 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2jot h ALA 47 CO -0.02 0.32 -0.57 0.00 0.00 0.00 0.00 179.25 178.98 2jot h MET 49 N 0.43 0.00 0.00 0.00 2.07 -0.39 0.46 114.93 117.51 2jot h MET 49 Ca -0.02 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.61 2jot h MET 49 Cb 1.19 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.92 2jot h MET 49 CO 0.12 0.00 -0.98 1.17 1.07 0.00 0.00 176.91 178.29 2jot n LYS 50 N -2.63 0.57 -0.02 1.72 3.00 -0.79 -2.49 118.16 117.52 2jot n LYS 50 Ca 0.01 0.12 0.03 0.00 -0.00 0.00 0.00 58.31 58.46 2jot n LYS 50 Cb 0.22 -1.81 -0.09 0.00 0.00 0.00 0.00 35.03 33.35 2jot n LYS 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2jot n ARG 51 N -2.62 0.86 -0.03 1.64 5.12 -0.86 -2.87 116.66 117.91 2jot n ARG 51 Ca 0.00 -0.08 0.05 0.00 -1.93 0.00 0.00 57.85 55.90 2jot n ARG 51 Cb 0.54 -1.27 -0.15 0.00 -1.16 0.00 0.00 32.46 30.42 2jot n ARG 51 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2jot n ALA 53 N -2.32 0.94 -0.07 0.00 0.00 -1.04 -4.74 120.51 113.28 2jot n ALA 53 Ca -0.10 -0.84 -0.14 0.00 0.00 0.00 0.00 53.44 52.35 2jot n ALA 53 Cb 0.67 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 20.00 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 0.00 -0.02 0.00 3.64 -1.68 -3.50 116.57 114.01 2jot h LYS 54 Ca -0.31 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.07 2jot h LYS 54 Cb 1.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 2jot h LYS 54 CO -0.19 0.94 0.00 0.00 -2.27 0.00 0.00 179.45 177.93