#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 1.43 0.12 9.51 8.00 -1.26 -4.56 116.55 129.79 2jot n ASP 2 Ca 0.00 -1.22 -0.24 0.00 0.71 0.00 0.00 54.79 54.05 2jot n ASP 2 Cb 0.00 0.37 -0.16 0.00 -0.02 0.00 0.00 41.12 41.31 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 1.46 1.27 0.00 -3.53 2.02 -1.94 -3.07 112.91 109.12 2jot h THR 3 Ca 0.00 -2.63 0.00 0.00 0.77 0.00 0.00 66.41 64.55 2jot h THR 3 Cb 0.40 3.03 0.00 0.00 -1.74 0.00 0.00 68.15 69.84 2jot h THR 3 CO 0.00 0.79 0.00 0.00 0.37 0.00 0.00 175.52 176.68 2jot n ARG 5 N -1.89 0.67 -3.03 0.00 1.85 -1.23 -4.10 116.66 108.93 2jot n ARG 5 Ca 0.02 0.05 -0.42 0.00 -1.00 0.00 0.00 57.85 56.50 2jot n ARG 5 Cb 0.15 -1.60 -0.06 0.00 -1.05 0.00 0.00 32.46 29.90 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 -5.52 4.21 1.14 2.89 0.05 -0.98 -4.97 118.68 115.50 2jot s LEU 6 Ca -0.08 0.20 -0.13 0.00 0.05 0.00 0.00 54.13 54.17 2jot s LEU 6 Cb 0.08 -2.91 0.27 0.00 -2.05 0.00 0.00 46.19 41.58 2jot s LEU 6 CO 0.84 -0.69 1.04 -2.84 -0.55 0.00 0.00 176.35 174.15 2jot s PRO 7 N 2.94 -0.69 0.10 1.48 0.02 -1.26 -4.51 135.00 133.09 2jot s PRO 7 Ca 0.28 0.74 0.06 0.00 0.02 0.00 0.00 61.00 62.10 2jot s PRO 7 Cb -0.14 -1.59 -0.04 0.00 0.02 0.00 0.00 34.50 32.76 2jot s PRO 7 CO 0.17 -3.54 -0.02 0.45 -0.33 0.00 0.00 177.00 173.72 2jot s SER 8 N -2.74 4.85 -0.05 2.53 0.15 -1.26 -4.84 113.70 112.34 2jot s SER 8 Ca 0.68 -0.25 0.04 0.00 0.70 0.00 0.00 55.95 57.11 2jot s SER 8 Cb -0.23 -1.09 0.00 0.00 -1.71 0.00 0.00 66.02 62.99 2jot s SER 8 CO 0.63 0.16 -0.17 -0.62 1.20 0.00 0.00 173.24 174.44 2jot s ASP 9 N -2.37 2.19 0.00 5.45 2.15 0.29 -5.01 116.67 119.37 2jot s ASP 9 Ca 0.25 -0.36 0.28 0.00 0.43 0.00 0.00 52.55 53.15 2jot s ASP 9 Cb -0.11 -0.72 1.06 0.00 -0.30 0.00 0.00 42.92 42.84 2jot s ASP 9 CO 0.17 0.13 1.75 -2.11 -0.17 0.00 0.00 175.17 174.95 2jot n ARG 10 N 3.30 1.66 -0.32 4.34 1.85 -1.21 -2.74 116.66 123.54 2jot n ARG 10 Ca -0.19 -0.95 0.04 0.00 -1.00 0.00 0.00 57.85 55.75 2jot n ARG 10 Cb 0.53 -1.48 -0.01 0.00 -1.05 0.00 0.00 32.46 30.45 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 -0.64 0.00 2.89 0.00 0.43 -3.18 105.19 105.86 2jot n GLY 11 Ca 0.19 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.55 0.00 0.00 1.61 0.63 -1.26 -4.79 116.66 111.30 2jot n ARG 12 Ca 0.00 0.02 0.00 0.00 -0.92 0.00 0.00 57.85 56.96 2jot n ARG 12 Cb 0.15 -0.31 0.00 0.00 0.45 0.00 0.00 32.46 32.74 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 0.00 3.44 -1.60 0.00 -0.00 -1.26 -5.05 118.16 113.69 2jot n LYS 14 Ca 0.00 -4.19 -0.44 0.00 -0.00 0.00 0.00 58.31 53.68 2jot n LYS 14 Cb 0.00 -2.29 -0.01 0.00 -0.00 0.00 0.00 35.03 32.73 2jot n LYS 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2jot n ALA 15 N -0.41 -0.07 -2.01 0.58 0.00 -1.20 -4.90 120.51 112.50 2jot n ALA 15 Ca 0.45 0.38 -0.02 0.00 0.00 0.00 0.00 53.44 54.25 2jot n ALA 15 Cb 0.40 -2.04 -0.02 0.00 0.00 0.00 0.00 19.45 17.79 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 1.14 -0.22 -4.28 0.00 3.41 -1.26 -4.90 113.62 107.51 2jot n SER 16 Ca 0.09 -1.29 -0.19 0.00 -0.26 0.00 0.00 58.87 57.22 2jot n SER 16 Cb 0.33 0.06 -0.11 0.00 -0.26 0.00 0.00 64.21 64.23 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 1.55 -0.18 7.33 0.40 -1.16 -5.00 117.98 120.91 2jot s PHE 17 Ca 0.00 -0.54 -0.04 0.00 -0.60 0.00 0.00 56.93 55.75 2jot s PHE 17 Cb 0.01 -0.79 -0.02 0.00 0.51 0.00 0.00 43.02 42.73 2jot s PHE 17 CO -0.00 0.22 -0.04 -1.83 0.70 0.00 0.00 175.22 174.26 2jot s GLU 18 N -2.86 3.57 0.33 0.44 1.03 -1.26 0.18 118.70 120.13 2jot s GLU 18 Ca 0.13 -0.56 0.03 0.00 0.03 0.00 0.00 54.97 54.60 2jot s GLU 18 Cb -0.04 -2.94 -0.04 0.00 -0.80 0.00 0.00 34.13 30.30 2jot s GLU 18 CO 0.04 0.10 0.13 1.03 -1.33 0.00 0.00 175.26 175.23 2jot s ARG 19 N 0.74 1.66 0.09 -4.83 3.00 -0.78 -4.85 118.95 113.97 2jot s ARG 19 Ca -0.02 -1.95 0.08 0.00 0.00 0.00 0.00 55.73 53.84 2jot s ARG 19 Cb -0.15 -0.34 -0.04 0.00 0.00 0.00 0.00 34.95 34.43 2jot s ARG 19 CO 0.02 -0.40 -0.17 -1.58 0.00 0.00 0.00 175.30 173.16 2jot s TRP 20 N -3.49 2.56 -0.02 -0.53 0.52 0.34 -2.79 118.94 115.53 2jot s TRP 20 Ca 0.33 -0.25 0.01 0.00 0.02 0.00 0.00 56.10 56.21 2jot s TRP 20 Cb 0.05 -1.39 0.02 0.00 -1.15 0.00 0.00 33.47 31.00 2jot s TRP 20 CO 0.16 0.35 -0.01 1.52 0.02 0.00 0.00 176.95 178.99 2jot s TYR 21 N -1.08 0.31 -0.23 -1.98 1.13 -1.15 0.12 117.35 114.47 2jot s TYR 21 Ca 0.17 -0.03 -0.29 0.00 -1.41 0.00 0.00 57.07 55.51 2jot s TYR 21 Cb -0.11 -0.33 -0.02 0.00 -1.10 0.00 0.00 41.96 40.40 2jot s TYR 21 CO 0.09 -0.08 1.61 0.12 -2.51 0.00 0.00 175.55 174.77 2jot s PHE 22 N 0.61 2.12 -0.53 -3.49 5.36 -1.15 -1.91 117.98 118.99 2jot s PHE 22 Ca -0.06 0.56 -0.02 0.00 -0.96 0.00 0.00 56.93 56.45 2jot s PHE 22 Cb -0.09 -3.99 0.29 0.00 -0.34 0.00 0.00 43.02 38.89 2jot s PHE 22 CO -0.01 -2.88 2.15 -1.71 -1.46 0.00 0.00 175.22 171.31 2jot n ASN 23 N 8.49 7.05 0.00 6.13 2.85 0.34 -4.75 115.26 135.37 2jot n ASN 23 Ca 0.19 -3.45 0.00 0.00 -0.11 0.00 0.00 54.58 51.21 2jot n ASN 23 Cb 0.45 -1.06 0.00 0.00 1.24 0.00 0.00 39.78 40.41 2jot n ASN 23 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2jot n GLY 24 N -0.13 1.32 0.10 8.20 0.00 -1.26 -3.42 105.19 110.01 2jot n GLY 24 Ca 0.48 0.06 -0.12 0.00 0.00 0.00 0.00 46.02 46.44 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 0.67 -4.19 1.61 0.00 -1.26 -5.01 116.66 108.49 2jot n ARG 25 Ca 0.00 0.19 -0.11 0.00 -0.00 0.00 0.00 57.85 57.93 2jot n ARG 25 Cb 0.00 -1.67 -0.10 0.00 -0.00 0.00 0.00 32.46 30.69 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 -2.55 0.06 0.71 8.89 -1.32 -1.22 -5.17 115.64 115.03 2jot s THR 26 Ca -0.13 -1.97 -0.03 0.00 -1.21 0.00 0.00 61.69 58.35 2jot s THR 26 Cb 0.07 -2.37 0.11 0.00 -1.51 0.00 0.00 72.50 68.80 2jot s THR 26 CO 0.79 -0.14 0.99 0.00 -2.21 0.00 0.00 174.62 174.05 2jot s ALA 28 N -3.16 0.32 -0.01 0.00 0.00 -0.80 -4.73 121.76 113.38 2jot s ALA 28 Ca 0.64 -1.26 -0.01 0.00 0.00 0.00 0.00 51.96 51.34 2jot s ALA 28 Cb -0.07 1.07 0.00 0.00 0.00 0.00 0.00 23.12 24.12 2jot s ALA 28 CO 0.44 -0.83 0.02 0.21 0.00 0.00 0.00 175.76 175.60 2jot s LYS 29 N -3.19 0.02 0.30 0.00 2.20 -1.26 -2.94 119.74 114.87 2jot s LYS 29 Ca 0.27 0.02 -0.19 0.00 -0.36 0.00 0.00 55.97 55.71 2jot s LYS 29 Cb -0.01 0.01 0.06 0.00 -1.51 0.00 0.00 37.83 36.38 2jot s LYS 29 CO 0.16 -0.00 0.85 -0.59 -0.36 0.00 0.00 175.35 175.41 2jot s PHE 30 N 0.00 0.03 -0.55 4.03 -0.71 -1.12 -5.03 117.98 114.64 2jot s PHE 30 Ca -0.00 -0.57 -0.22 0.00 -1.04 0.00 0.00 56.93 55.10 2jot s PHE 30 Cb -0.00 0.77 0.05 0.00 -1.21 0.00 0.00 43.02 42.62 2jot s PHE 30 CO 0.00 -1.29 0.83 0.42 -1.34 0.00 0.00 175.22 173.85 2jot s ILE 31 N -2.65 4.55 -0.33 -4.49 -1.09 -1.26 -1.87 121.20 114.06 2jot s ILE 31 Ca 0.16 -0.05 -0.21 0.00 -2.23 0.00 0.00 60.65 58.31 2jot s ILE 31 Cb -0.04 -4.47 -0.00 0.00 -1.58 0.00 0.00 42.46 36.37 2jot s ILE 31 CO 0.08 -1.04 0.69 -0.47 -1.23 0.00 0.00 174.94 172.97 2jot s TYR 32 N 3.50 3.18 -1.41 3.97 5.04 0.48 -4.69 117.35 127.42 2jot s TYR 32 Ca 0.24 0.56 0.17 0.00 -2.44 0.00 0.00 57.07 55.60 2jot s TYR 32 Cb -0.15 -3.15 0.61 0.00 0.35 0.00 0.00 41.96 39.61 2jot s TYR 32 CO 0.16 -0.58 1.50 0.41 -1.34 0.00 0.00 175.55 175.69 2jot n GLY 33 N 4.47 2.24 2.86 8.97 0.00 -1.19 -3.00 105.19 119.53 2jot n GLY 33 Ca 0.01 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.31 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 1.15 0.74 3.17 -0.02 0.00 -1.26 -4.58 105.19 104.39 2jot n GLY 34 Ca 0.22 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.86 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 4.75 1.30 3.40 0.00 0.00 -1.11 0.16 105.19 113.70 2jot n GLY 36 Ca -0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.72 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 1.65 0.00 -0.02 0.00 -1.21 0.11 107.32 105.84 2jot s GLY 37 Ca 0.00 -1.66 0.00 0.00 0.00 0.00 0.00 44.72 43.06 2jot s GLY 37 CO 0.00 -1.71 0.00 1.16 0.00 0.00 0.00 173.10 172.55 2jot n ASN 38 N 0.02 0.00 0.00 1.64 0.23 -1.26 -5.02 115.26 110.87 2jot n ASN 38 Ca -0.11 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.94 2jot n ASN 38 Cb 0.58 0.01 0.00 0.00 -2.08 0.00 0.00 39.78 38.28 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 -0.16 0.32 0.08 4.83 0.00 -1.26 -4.80 105.19 104.21 2jot n GLY 39 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 0.88 -4.81 1.61 2.85 -1.26 -4.84 115.26 109.69 2jot n ASN 40 Ca 0.00 0.41 -0.34 0.00 -0.11 0.00 0.00 54.58 54.55 2jot n ASN 40 Cb 0.19 -0.07 -0.05 0.00 1.24 0.00 0.00 39.78 41.09 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 -2.60 3.95 -0.10 1.20 -2.85 -1.26 -2.91 119.74 115.18 2jot s LYS 41 Ca -0.05 1.26 -0.14 0.00 -1.00 0.00 0.00 55.97 56.04 2jot s LYS 41 Cb 0.08 -2.12 0.03 0.00 -2.06 0.00 0.00 37.83 33.76 2jot s LYS 41 CO 0.82 -0.29 0.35 -0.06 0.10 0.00 0.00 175.35 176.28 2jot s PHE 42 N -2.09 -0.34 0.13 1.78 0.08 0.32 -4.93 117.98 112.94 2jot s PHE 42 Ca 0.65 0.76 -0.17 0.00 0.12 0.00 0.00 56.93 58.29 2jot s PHE 42 Cb -0.13 0.13 -0.02 0.00 -0.57 0.00 0.00 43.02 42.43 2jot s PHE 42 CO 0.18 -0.26 1.71 -1.00 -0.10 0.00 0.00 175.22 175.75 2jot h PRO 43 N 4.98 0.52 -5.39 0.24 0.13 -1.89 0.99 132.00 131.57 2jot h PRO 43 Ca -0.28 -0.07 -0.46 0.00 -0.87 0.00 0.00 66.00 64.32 2jot h PRO 43 Cb 1.18 -0.09 -0.14 0.00 0.13 0.00 0.00 31.00 32.08 2jot h PRO 43 CO 0.32 0.46 -0.67 0.95 -0.23 0.00 0.00 178.00 178.83 2jot s THR 44 N -5.74 1.48 0.41 1.56 -4.23 -1.26 -4.50 115.64 103.36 2jot s THR 44 Ca -0.13 -2.10 0.15 0.00 -1.18 0.00 0.00 61.69 58.43 2jot s THR 44 Cb 0.10 -2.42 0.15 0.00 1.34 0.00 0.00 72.50 71.66 2jot s THR 44 CO 0.73 -0.31 1.92 -0.61 -0.54 0.00 0.00 174.62 175.82 2jot h GLN 45 N 2.33 0.00 -0.79 3.99 4.15 -1.97 -2.74 115.11 120.07 2jot h GLN 45 Ca -0.40 0.00 0.07 0.00 0.77 0.00 0.00 58.65 59.10 2jot h GLN 45 Cb 1.23 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.86 2jot h GLN 45 CO 0.67 0.27 0.47 1.49 -1.93 0.00 0.00 178.83 179.79 2jot h GLU 46 N 0.00 0.80 0.00 1.69 4.57 -1.99 -0.60 114.58 119.05 2jot h GLU 46 Ca -0.00 -0.05 -0.07 0.00 -1.18 0.00 0.00 59.36 58.06 2jot h GLU 46 Cb 0.48 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 28.88 2jot h GLU 46 CO 0.03 0.53 -0.34 0.00 -1.18 0.00 0.00 179.01 178.05 2jot h ALA 47 N 1.40 0.95 0.02 2.92 0.00 -1.88 -0.26 119.26 122.42 2jot h ALA 47 Ca 0.36 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.98 2jot h ALA 47 Cb 0.24 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2jot h ALA 47 CO -0.20 0.43 -0.15 0.00 0.00 0.00 0.00 179.25 179.33 2jot h MET 49 N -0.25 0.00 0.00 0.00 2.86 -1.56 -2.86 114.93 113.12 2jot h MET 49 Ca 0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 2jot h MET 49 Cb 0.30 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.96 2jot h MET 49 CO -0.13 0.39 0.00 -0.22 1.06 0.00 0.00 176.91 178.01 2jot h LYS 50 N 0.00 0.00 0.00 1.72 1.63 -0.96 0.98 116.57 119.94 2jot h LYS 50 Ca -0.22 0.00 -0.15 0.00 -0.85 0.00 0.00 60.65 59.43 2jot h LYS 50 Cb 1.78 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 33.39 2jot h LYS 50 CO 0.06 0.00 -1.65 -2.13 -3.45 0.00 0.00 179.45 172.28 2jot n ARG 51 N -2.52 1.99 -0.06 1.90 3.00 -0.06 -3.14 116.66 117.77 2jot n ARG 51 Ca 0.02 -0.02 -0.04 0.00 -0.00 0.00 0.00 57.85 57.80 2jot n ARG 51 Cb 0.27 -1.26 -0.12 0.00 0.00 0.00 0.00 32.46 31.36 2jot n ARG 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2jot n ALA 53 N -2.46 0.95 0.18 0.00 0.00 0.29 -4.68 120.51 114.80 2jot n ALA 53 Ca -0.20 -0.80 -0.10 0.00 0.00 0.00 0.00 53.44 52.34 2jot n ALA 53 Cb 0.87 -0.13 -0.05 0.00 0.00 0.00 0.00 19.45 20.14 2jot n ALA 53 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2jot h LYS 54 N -1.00 -0.50 0.00 0.00 6.56 -0.41 -3.49 116.57 117.73 2jot h LYS 54 Ca -0.45 0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.18 2jot h LYS 54 Cb 1.35 0.11 0.00 0.00 -0.57 0.00 0.00 32.23 33.12 2jot h LYS 54 CO -0.27 -0.26 0.00 0.00 -2.06 0.00 0.00 179.45 176.86