#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 0.79 0.01 9.51 5.68 -1.26 -4.54 116.55 126.74 2jot n ASP 2 Ca 0.00 -0.64 0.23 0.00 -0.50 0.00 0.00 54.79 53.88 2jot n ASP 2 Cb 0.00 1.07 0.72 0.00 -1.14 0.00 0.00 41.12 41.78 2jot n ASP 2 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 2jot h THR 3 N 0.00 0.42 0.00 2.12 2.02 -1.97 0.70 112.91 116.20 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 0.28 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 67.29 2jot h THR 3 CO 0.00 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.89 2jot h ARG 5 N 0.00 0.00 -4.42 0.00 3.08 0.10 -3.34 114.38 109.81 2jot h ARG 5 Ca 0.00 0.00 -0.73 0.00 0.07 0.00 0.00 59.98 59.32 2jot h ARG 5 Cb 0.36 0.00 -0.24 0.00 0.08 0.00 0.00 29.97 30.17 2jot h ARG 5 CO 0.00 0.22 -0.41 -0.48 -1.07 0.00 0.00 179.97 178.23 2jot s LEU 6 N -5.69 5.28 0.88 3.04 2.34 -1.09 -5.00 118.68 118.43 2jot s LEU 6 Ca -0.02 -1.26 -0.11 0.00 0.06 0.00 0.00 54.13 52.81 2jot s LEU 6 Cb 0.09 -2.10 0.12 0.00 -0.56 0.00 0.00 46.19 43.74 2jot s LEU 6 CO 0.80 -0.55 1.11 -2.16 -1.06 0.00 0.00 176.35 174.50 2jot s PRO 7 N 1.58 1.38 0.25 1.48 0.04 -1.26 -4.32 135.00 134.14 2jot s PRO 7 Ca 0.04 1.23 0.08 0.00 0.04 0.00 0.00 61.00 62.39 2jot s PRO 7 Cb -0.22 -1.79 -0.04 0.00 0.04 0.00 0.00 34.50 32.49 2jot s PRO 7 CO 0.06 -2.28 0.08 -1.12 0.04 0.00 0.00 177.00 173.78 2jot s SER 8 N -3.06 4.95 0.06 6.66 0.01 -1.26 -4.80 113.70 116.26 2jot s SER 8 Ca 0.64 -0.47 0.02 0.00 1.31 0.00 0.00 55.95 57.45 2jot s SER 8 Cb -0.20 -1.08 -0.04 0.00 0.21 0.00 0.00 66.02 64.91 2jot s SER 8 CO 0.58 -0.01 0.11 -0.62 0.41 0.00 0.00 173.24 173.71 2jot s ASP 9 N -3.69 5.76 0.00 2.44 -1.08 -1.16 -4.88 116.67 114.06 2jot s ASP 9 Ca 0.32 0.08 0.28 0.00 -0.52 0.00 0.00 52.55 52.70 2jot s ASP 9 Cb -0.07 -1.62 1.04 0.00 -1.46 0.00 0.00 42.92 40.80 2jot s ASP 9 CO 0.22 0.18 1.74 -2.11 0.52 0.00 0.00 175.17 175.72 2jot n ARG 10 N 0.50 1.67 -2.95 4.34 -4.01 -1.25 -3.59 116.66 111.37 2jot n ARG 10 Ca -0.08 -0.97 -0.01 0.00 -1.04 0.00 0.00 57.85 55.74 2jot n ARG 10 Cb 0.52 -1.48 -0.01 0.00 -3.04 0.00 0.00 32.46 28.45 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 1.17 -1.85 0.23 2.89 0.00 0.80 -0.17 105.19 108.26 2jot n GLY 11 Ca 0.19 0.49 0.16 0.00 0.00 0.00 0.00 46.02 46.85 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 4.18 0.00 0.00 1.61 2.43 -1.88 -2.68 114.38 118.05 2jot h ARG 12 Ca -0.13 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 2jot h ARG 12 Cb 0.55 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 2jot h ARG 12 CO 0.02 0.00 0.00 0.00 -1.51 0.00 0.00 179.97 178.48 2jot n LYS 14 N -0.33 3.78 -1.61 0.00 4.01 -1.22 -5.01 118.16 117.78 2jot n LYS 14 Ca 0.00 -4.44 -0.52 0.00 -0.51 0.00 0.00 58.31 52.85 2jot n LYS 14 Cb 0.00 -2.31 -0.06 0.00 -0.51 0.00 0.00 35.03 32.15 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 -0.31 -0.58 0.00 7.82 0.00 -1.13 -4.11 120.51 122.20 2jot n ALA 15 Ca 0.42 0.49 0.00 0.00 0.00 0.00 0.00 53.44 54.36 2jot n ALA 15 Cb 0.38 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.70 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 2.95 0.00 -4.86 0.00 7.64 -1.26 -4.88 113.62 113.22 2jot n SER 16 Ca 0.19 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.85 2jot n SER 16 Cb 0.20 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.37 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 -0.84 2.54 0.03 1.43 0.40 -1.19 -4.96 117.98 115.39 2jot s PHE 17 Ca 0.00 -0.55 0.07 0.00 -0.60 0.00 0.00 56.93 55.84 2jot s PHE 17 Cb 0.00 -2.11 -0.03 0.00 0.51 0.00 0.00 43.02 41.39 2jot s PHE 17 CO 0.00 -0.13 -0.18 -1.21 0.70 0.00 0.00 175.22 174.40 2jot s GLU 18 N -4.12 2.13 0.20 0.44 2.02 -1.26 0.12 118.70 118.23 2jot s GLU 18 Ca 0.46 -0.94 -0.03 0.00 0.02 0.00 0.00 54.97 54.48 2jot s GLU 18 Cb -0.02 -2.21 -0.03 0.00 0.10 0.00 0.00 34.13 31.97 2jot s GLU 18 CO 0.26 0.55 0.17 1.03 0.02 0.00 0.00 175.26 177.30 2jot s ARG 19 N -1.31 1.23 0.16 1.61 0.52 0.46 -4.72 118.95 116.89 2jot s ARG 19 Ca 0.14 -1.55 0.11 0.00 -0.52 0.00 0.00 55.73 53.90 2jot s ARG 19 Cb -0.10 0.30 -0.04 0.00 0.52 0.00 0.00 34.95 35.62 2jot s ARG 19 CO 0.04 -0.42 -0.24 -1.58 0.02 0.00 0.00 175.30 173.13 2jot s TRP 20 N -4.13 2.35 0.05 -0.53 0.52 0.31 -1.98 118.94 115.52 2jot s TRP 20 Ca 0.35 -0.35 -0.00 0.00 0.02 0.00 0.00 56.10 56.12 2jot s TRP 20 Cb 0.06 -1.22 -0.04 0.00 -1.15 0.00 0.00 33.47 31.13 2jot s TRP 20 CO 0.11 0.42 -0.03 1.52 0.02 0.00 0.00 176.95 178.98 2jot s TYR 21 N -1.36 0.50 -0.47 -1.98 1.13 -0.91 0.12 117.35 114.37 2jot s TYR 21 Ca 0.18 -0.91 -0.23 0.00 -1.41 0.00 0.00 57.07 54.69 2jot s TYR 21 Cb -0.09 -0.36 0.03 0.00 -1.10 0.00 0.00 41.96 40.44 2jot s TYR 21 CO 0.09 -0.31 0.81 0.12 -2.51 0.00 0.00 175.55 173.75 2jot s PHE 22 N -3.24 2.95 -0.64 -3.49 2.19 -1.13 -1.58 117.98 113.04 2jot s PHE 22 Ca 0.02 0.10 -0.04 0.00 0.33 0.00 0.00 56.93 57.33 2jot s PHE 22 Cb 0.03 -3.75 0.05 0.00 -1.31 0.00 0.00 43.02 38.04 2jot s PHE 22 CO -0.07 -1.07 2.75 -1.71 1.83 0.00 0.00 175.22 176.95 2jot n ASN 23 N 6.86 6.79 0.00 6.13 5.15 0.31 -4.76 115.26 135.74 2jot n ASN 23 Ca 0.02 -3.13 0.00 0.00 -0.60 0.00 0.00 54.58 50.87 2jot n ASN 23 Cb 0.48 -1.28 0.00 0.00 -0.53 0.00 0.00 39.78 38.45 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 1.23 0.80 0.33 8.20 0.00 -1.25 -3.17 105.19 111.33 2jot n GLY 24 Ca 0.52 -0.01 -0.16 0.00 0.00 0.00 0.00 46.02 46.38 2jot n GLY 24 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2jot n ARG 25 N 0.00 0.37 -4.27 1.61 0.00 -1.26 -5.03 116.66 108.08 2jot n ARG 25 Ca 0.00 0.13 -0.23 0.00 -0.00 0.00 0.00 57.85 57.75 2jot n ARG 25 Cb 0.00 -1.18 -0.07 0.00 0.00 0.00 0.00 32.46 31.20 2jot n ARG 25 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.63 177.55 2jot s THR 26 N -2.31 3.21 -0.32 5.15 -1.32 -1.19 -5.11 115.64 113.75 2jot s THR 26 Ca -0.23 -1.91 -0.12 0.00 -1.21 0.00 0.00 61.69 58.22 2jot s THR 26 Cb 0.08 -2.84 -0.03 0.00 -1.51 0.00 0.00 72.50 68.20 2jot s THR 26 CO 0.32 -0.32 0.22 0.00 -2.21 0.00 0.00 174.62 172.63 2jot s ALA 28 N 1.73 3.47 0.00 0.00 0.00 -0.61 -4.87 121.76 121.48 2jot s ALA 28 Ca 0.06 -1.60 -0.02 0.00 0.00 0.00 0.00 51.96 50.41 2jot s ALA 28 Cb -0.17 -2.15 -0.01 0.00 0.00 0.00 0.00 23.12 20.79 2jot s ALA 28 CO 0.10 -1.56 0.02 0.21 0.00 0.00 0.00 175.76 174.53 2jot s LYS 29 N -5.24 0.24 0.34 0.00 2.20 -1.26 -2.14 119.74 113.88 2jot s LYS 29 Ca 0.67 -0.33 -0.14 0.00 -0.36 0.00 0.00 55.97 55.80 2jot s LYS 29 Cb -0.06 0.09 0.03 0.00 -1.51 0.00 0.00 37.83 36.39 2jot s LYS 29 CO 0.45 -0.04 0.68 -0.59 -0.36 0.00 0.00 175.35 175.49 2jot s PHE 30 N -0.90 0.25 -0.33 4.03 -0.12 -0.84 -5.01 117.98 115.06 2jot s PHE 30 Ca -0.10 -0.76 -0.19 0.00 -0.05 0.00 0.00 56.93 55.83 2jot s PHE 30 Cb -0.06 0.56 -0.01 0.00 -0.63 0.00 0.00 43.02 42.88 2jot s PHE 30 CO -0.00 -1.34 0.58 0.42 -0.05 0.00 0.00 175.22 174.83 2jot s ILE 31 N -3.03 4.96 -0.51 -4.49 1.01 -1.26 -0.41 121.20 117.47 2jot s ILE 31 Ca 0.18 0.62 -0.23 0.00 0.00 0.00 0.00 60.65 61.22 2jot s ILE 31 Cb -0.04 -3.99 0.04 0.00 0.01 0.00 0.00 42.46 38.48 2jot s ILE 31 CO 0.12 -0.19 0.83 -0.47 0.00 0.00 0.00 174.94 175.23 2jot s TYR 32 N 2.55 2.90 0.07 3.97 6.14 0.32 -4.65 117.35 128.64 2jot s TYR 32 Ca 0.23 -0.06 0.09 0.00 0.64 0.00 0.00 57.07 57.96 2jot s TYR 32 Cb -0.15 -3.85 -0.17 0.00 0.42 0.00 0.00 41.96 38.21 2jot s TYR 32 CO 0.13 -1.18 1.26 0.78 0.64 0.00 0.00 175.55 177.18 2jot h GLY 33 N 10.47 0.00 0.00 8.97 0.00 -0.20 -3.14 103.07 119.18 2jot h GLY 33 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.07 2jot h GLY 33 CO 1.03 0.00 0.00 0.61 0.00 0.00 0.00 176.54 178.18 2jot n GLY 34 N 1.35 0.32 3.14 4.60 0.00 -1.24 -3.39 105.19 109.97 2jot n GLY 34 Ca -0.01 0.00 -0.38 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 3.75 -1.15 2.09 0.00 0.00 -1.24 -0.14 105.19 108.49 2jot n GLY 36 Ca 0.07 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 2.43 -0.84 0.00 -0.02 0.00 -1.25 -2.96 105.19 102.55 2jot n GLY 37 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2jot n GLY 37 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2jot n ASN 38 N -3.36 0.00 0.00 1.61 0.23 -1.26 -4.92 115.26 107.55 2jot n ASN 38 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 2jot n ASN 38 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 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 -0.44 0.23 0.45 4.83 0.00 -1.26 -4.77 105.19 104.24 2jot n GLY 39 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.01 1.42 -4.84 1.61 2.85 -1.26 -4.89 115.26 110.14 2jot n ASN 40 Ca 0.00 -1.48 -0.35 0.00 -0.11 0.00 0.00 54.58 52.64 2jot n ASN 40 Cb 0.20 -0.00 -0.06 0.00 1.24 0.00 0.00 39.78 41.16 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 -2.00 4.00 0.06 1.20 0.00 -1.26 -2.84 119.74 118.91 2jot s LYS 41 Ca 0.38 0.52 -0.12 0.00 0.00 0.00 0.00 55.97 56.75 2jot s LYS 41 Cb 0.21 -2.92 0.02 0.00 0.00 0.00 0.00 37.83 35.14 2jot s LYS 41 CO 0.34 0.47 0.28 -0.06 0.00 0.00 0.00 175.35 176.37 2jot s PHE 42 N -1.48 -0.04 -0.02 1.78 0.08 0.32 -4.96 117.98 113.66 2jot s PHE 42 Ca 0.38 -0.19 -0.21 0.00 0.12 0.00 0.00 56.93 57.03 2jot s PHE 42 Cb -0.15 0.07 -0.25 0.00 -0.57 0.00 0.00 43.02 42.12 2jot s PHE 42 CO 0.19 -0.53 1.05 -1.00 -0.10 0.00 0.00 175.22 174.83 2jot h PRO 43 N 3.02 0.33 -5.32 0.24 0.13 -1.91 0.88 132.00 129.37 2jot h PRO 43 Ca -0.33 -0.38 -0.61 0.00 -0.87 0.00 0.00 66.00 63.82 2jot h PRO 43 Cb 1.21 0.11 -0.13 0.00 0.13 0.00 0.00 31.00 32.32 2jot h PRO 43 CO 0.49 1.08 -0.56 0.95 -0.23 0.00 0.00 178.00 179.72 2jot s THR 44 N -3.06 1.34 0.18 1.56 -4.23 -1.26 -3.84 115.64 106.33 2jot s THR 44 Ca -0.14 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.42 2jot s THR 44 Cb 0.02 -2.57 -0.14 0.00 1.34 0.00 0.00 72.50 71.16 2jot s THR 44 CO 0.80 0.00 1.40 -0.61 -0.54 0.00 0.00 174.62 175.67 2jot h GLN 45 N 1.69 0.10 -0.07 3.99 4.15 -1.94 -3.16 115.11 119.87 2jot h GLN 45 Ca -0.42 -0.11 -0.10 0.00 0.77 0.00 0.00 58.65 58.79 2jot h GLN 45 Cb 1.27 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.98 2jot h GLN 45 CO 0.73 0.89 -0.41 1.49 -1.93 0.00 0.00 178.83 179.60 2jot h GLU 46 N 0.05 0.15 0.31 1.69 4.57 -1.98 -2.62 114.58 116.76 2jot h GLU 46 Ca -0.03 -0.07 -0.02 0.00 -1.18 0.00 0.00 59.36 58.07 2jot h GLU 46 Cb 1.49 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.08 2jot h GLU 46 CO 0.12 0.54 -0.15 0.00 -1.18 0.00 0.00 179.01 178.34 2jot h ALA 47 N 1.46 -0.42 -0.10 2.92 0.00 -1.94 0.50 119.26 121.67 2jot h ALA 47 Ca 0.01 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.77 2jot h ALA 47 Cb 0.78 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 2jot h ALA 47 CO 0.06 -0.56 0.07 0.00 0.00 0.00 0.00 179.25 178.82 2jot h MET 49 N 0.00 0.07 -0.02 0.00 2.07 -1.37 -3.03 114.93 112.65 2jot h MET 49 Ca 0.05 -0.11 0.00 0.00 -2.07 0.00 0.00 59.70 57.56 2jot h MET 49 Cb 0.19 0.04 0.00 0.00 -1.87 0.00 0.00 31.60 29.96 2jot h MET 49 CO -0.00 0.80 0.00 0.36 1.07 0.00 0.00 176.91 179.14 2jot n LYS 50 N -3.24 1.67 -0.07 1.72 -0.00 0.17 -1.47 118.16 116.95 2jot n LYS 50 Ca -0.13 -0.97 -0.09 0.00 -0.00 0.00 0.00 58.31 57.12 2jot n LYS 50 Cb 1.02 -1.48 -0.07 0.00 -0.00 0.00 0.00 35.03 34.51 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 0.18 0.53 -0.02 -1.58 5.12 0.67 -4.45 116.66 117.12 2jot n ARG 51 Ca 0.19 0.07 -0.01 0.00 -1.93 0.00 0.00 57.85 56.17 2jot n ARG 51 Cb 0.35 -1.28 -0.04 0.00 -1.16 0.00 0.00 32.46 30.33 2jot n ARG 51 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2jot h ALA 53 N 0.35 0.63 0.00 0.00 0.00 -1.50 -3.40 119.26 115.33 2jot h ALA 53 Ca -0.11 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.07 2jot h ALA 53 Cb 1.04 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2jot h ALA 53 CO 0.01 0.89 -0.00 -0.22 0.00 0.00 0.00 179.25 179.93 2jot h LYS 54 N 0.00 0.00 0.00 0.00 3.64 -1.48 -3.48 116.57 115.25 2jot h LYS 54 Ca -0.08 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 2jot h LYS 54 Cb 1.56 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.38 2jot h LYS 54 CO 0.07 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.25