#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 0.28 -0.06 7.28 9.92 -1.26 -4.35 116.55 128.36 2jot n ASP 2 Ca 0.00 0.00 0.18 0.00 -0.53 0.00 0.00 54.79 54.44 2jot n ASP 2 Cb 0.00 1.49 0.61 0.00 -0.64 0.00 0.00 41.12 42.58 2jot n ASP 2 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 2jot h THR 3 N 0.00 0.77 0.00 -3.53 2.02 -1.99 0.44 112.91 110.63 2jot h THR 3 Ca -0.24 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 66.88 2jot h THR 3 Cb 1.52 0.59 0.00 0.00 -1.74 0.00 0.00 68.15 68.52 2jot h THR 3 CO 0.01 0.03 0.00 0.00 0.37 0.00 0.00 175.52 175.93 2jot n ARG 5 N -1.04 0.00 -2.15 0.00 1.74 0.15 -3.89 116.66 111.48 2jot n ARG 5 Ca 0.22 -0.93 -0.42 0.00 -0.77 0.00 0.00 57.85 55.95 2jot n ARG 5 Cb 0.12 -1.13 -0.03 0.00 -1.02 0.00 0.00 32.46 30.40 2jot n ARG 5 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2jot s LEU 6 N -0.58 4.35 -0.95 0.55 1.43 -1.09 -4.95 118.68 117.45 2jot s LEU 6 Ca 0.08 2.29 -0.21 0.00 -1.03 0.00 0.00 54.13 55.26 2jot s LEU 6 Cb 0.06 -3.58 0.09 0.00 0.03 0.00 0.00 46.19 42.80 2jot s LEU 6 CO 0.09 -0.71 1.25 -2.16 0.23 0.00 0.00 176.35 175.04 2jot s PRO 7 N 1.73 3.56 0.20 1.29 0.04 -1.26 -4.68 135.00 135.87 2jot s PRO 7 Ca 0.66 -1.44 -0.30 0.00 0.04 0.00 0.00 61.00 59.96 2jot s PRO 7 Cb -0.36 -5.04 -0.09 0.00 0.04 0.00 0.00 34.50 29.06 2jot s PRO 7 CO 0.29 -1.95 1.31 -1.12 0.04 0.00 0.00 177.00 175.57 2jot s SER 8 N 4.15 6.90 -0.21 6.66 0.01 -1.26 -4.94 113.70 125.01 2jot s SER 8 Ca 0.37 2.40 -0.08 0.00 1.31 0.00 0.00 55.95 59.95 2jot s SER 8 Cb -0.04 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.54 2jot s SER 8 CO -0.08 -0.52 0.08 -0.62 0.41 0.00 0.00 173.24 172.51 2jot s ASP 9 N 0.32 5.57 0.25 2.44 -1.08 -1.06 -4.97 116.67 118.14 2jot s ASP 9 Ca 0.56 -0.00 0.21 0.00 -0.52 0.00 0.00 52.55 52.80 2jot s ASP 9 Cb -0.36 -1.98 0.98 0.00 -1.46 0.00 0.00 42.92 40.10 2jot s ASP 9 CO 0.38 0.09 1.65 -2.11 0.52 0.00 0.00 175.17 175.70 2jot n ARG 10 N 4.11 0.16 -2.29 4.34 -4.01 -1.25 -2.89 116.66 114.81 2jot n ARG 10 Ca -0.16 0.49 0.00 0.00 -1.04 0.00 0.00 57.85 57.14 2jot n ARG 10 Cb 0.52 -1.87 0.00 0.00 -3.04 0.00 0.00 32.46 28.07 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 -0.53 -4.87 0.00 2.89 0.00 0.13 0.74 105.19 103.55 2jot n GLY 11 Ca 0.01 0.06 0.11 0.00 0.00 0.00 0.00 46.02 46.20 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 1.89 0.22 0.00 1.61 0.00 -1.26 -2.30 116.66 116.81 2jot n ARG 12 Ca 0.00 0.09 0.00 0.00 -0.00 0.00 0.00 57.85 57.94 2jot n ARG 12 Cb 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 30.96 2jot n ARG 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2jot n LYS 14 N -0.86 3.17 -1.52 0.00 5.02 -1.25 -5.01 118.16 117.71 2jot n LYS 14 Ca 0.00 -3.75 -0.36 0.00 -2.02 0.00 0.00 58.31 52.18 2jot n LYS 14 Cb 0.00 -2.28 -0.11 0.00 -0.02 0.00 0.00 35.03 32.61 2jot n LYS 14 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2jot n ALA 15 N -0.81 0.53 0.00 7.82 0.00 -1.23 -4.10 120.51 122.72 2jot n ALA 15 Ca 0.53 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2jot n ALA 15 Cb 0.81 -2.64 0.00 0.00 0.00 0.00 0.00 19.45 17.62 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 12.26 0.30 -4.83 0.00 7.64 -1.26 -4.85 113.62 122.88 2jot n SER 16 Ca 0.56 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 60.20 2jot n SER 16 Cb 0.23 0.03 -0.04 0.00 -1.01 0.00 0.00 64.21 63.42 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 -0.93 2.38 0.01 1.43 0.40 -1.20 -4.96 117.98 115.10 2jot s PHE 17 Ca 0.00 -0.63 0.07 0.00 -0.60 0.00 0.00 56.93 55.77 2jot s PHE 17 Cb 0.00 -2.01 -0.02 0.00 0.51 0.00 0.00 43.02 41.50 2jot s PHE 17 CO 0.00 -0.08 -0.22 -1.83 0.70 0.00 0.00 175.22 173.79 2jot s GLU 18 N -4.07 1.68 0.24 0.44 -1.05 -1.26 0.12 118.70 114.80 2jot s GLU 18 Ca 0.41 -0.86 -0.02 0.00 -0.15 0.00 0.00 54.97 54.35 2jot s GLU 18 Cb -0.00 -1.69 -0.03 0.00 -0.44 0.00 0.00 34.13 31.97 2jot s GLU 18 CO 0.23 0.45 0.25 1.03 0.95 0.00 0.00 175.26 178.17 2jot s ARG 19 N -0.77 1.42 0.14 -4.83 0.52 -0.95 -4.85 118.95 109.64 2jot s ARG 19 Ca 0.09 -1.65 0.06 0.00 -0.52 0.00 0.00 55.73 53.71 2jot s ARG 19 Cb -0.09 0.33 -0.04 0.00 0.52 0.00 0.00 34.95 35.67 2jot s ARG 19 CO 0.00 -0.52 -0.02 -1.58 0.02 0.00 0.00 175.30 173.21 2jot s TRP 20 N -3.91 2.88 -0.08 -0.53 0.52 0.31 -2.89 118.94 115.24 2jot s TRP 20 Ca 0.36 -0.10 -0.04 0.00 0.02 0.00 0.00 56.10 56.34 2jot s TRP 20 Cb 0.04 -1.44 0.04 0.00 -1.15 0.00 0.00 33.47 30.96 2jot s TRP 20 CO 0.15 0.49 0.18 1.52 0.02 0.00 0.00 176.95 179.31 2jot s TYR 21 N -1.51 -0.22 0.01 -1.98 1.13 -1.11 0.10 117.35 113.77 2jot s TYR 21 Ca 0.26 0.58 -0.30 0.00 -1.41 0.00 0.00 57.07 56.20 2jot s TYR 21 Cb -0.10 -0.03 -0.06 0.00 -1.10 0.00 0.00 41.96 40.67 2jot s TYR 21 CO 0.18 -0.19 1.44 0.12 -2.51 0.00 0.00 175.55 174.59 2jot s PHE 22 N 1.15 2.77 -0.63 -3.49 2.19 -1.15 -1.74 117.98 117.09 2jot s PHE 22 Ca -0.09 0.74 0.05 0.00 0.33 0.00 0.00 56.93 57.96 2jot s PHE 22 Cb -0.11 -3.71 0.16 0.00 -1.31 0.00 0.00 43.02 38.06 2jot s PHE 22 CO -0.07 -2.66 0.43 1.21 1.83 0.00 0.00 175.22 175.97 2jot s ASN 23 N 1.99 4.28 0.00 6.13 2.47 -0.14 -4.78 114.94 124.88 2jot s ASN 23 Ca 0.65 -3.59 0.00 0.00 0.42 0.00 0.00 52.86 50.34 2jot s ASN 23 Cb -0.32 -1.45 0.00 0.00 -1.45 0.00 0.00 41.25 38.02 2jot s ASN 23 CO 0.27 -0.12 0.00 0.61 -3.72 0.00 0.00 177.10 174.14 2jot n GLY 24 N 2.31 2.32 0.00 1.21 0.00 -1.25 -3.22 105.19 106.55 2jot n GLY 24 Ca 0.19 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 2.41 -4.20 1.61 1.85 -1.26 -5.01 116.66 112.05 2jot n ARG 25 Ca 0.00 0.00 -0.25 0.00 -1.00 0.00 0.00 57.85 56.60 2jot n ARG 25 Cb 0.00 -0.79 -0.07 0.00 -1.05 0.00 0.00 32.46 30.55 2jot n ARG 25 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 2jot s THR 26 N -1.40 3.85 0.55 8.89 2.01 -1.20 -5.05 115.64 123.30 2jot s THR 26 Ca 0.00 -1.53 -0.03 0.00 0.31 0.00 0.00 61.69 60.44 2jot s THR 26 Cb 0.00 -3.01 0.02 0.00 0.01 0.00 0.00 72.50 69.52 2jot s THR 26 CO 0.00 -0.24 0.81 0.00 -0.69 0.00 0.00 174.62 174.50 2jot s ALA 28 N -2.83 1.90 -0.06 0.00 0.00 -0.71 -4.85 121.76 115.21 2jot s ALA 28 Ca 0.53 -1.85 -0.11 0.00 0.00 0.00 0.00 51.96 50.54 2jot s ALA 28 Cb -0.10 1.31 0.02 0.00 0.00 0.00 0.00 23.12 24.35 2jot s ALA 28 CO 0.41 -0.58 0.27 -1.59 0.00 0.00 0.00 175.76 174.27 2jot s LYS 29 N -3.68 0.44 0.32 0.00 -2.85 -1.26 -2.75 119.74 109.96 2jot s LYS 29 Ca 0.37 0.12 -0.18 0.00 -1.00 0.00 0.00 55.97 55.27 2jot s LYS 29 Cb 0.04 0.20 0.05 0.00 -2.06 0.00 0.00 37.83 36.06 2jot s LYS 29 CO 0.21 -0.09 0.82 -0.59 0.10 0.00 0.00 175.35 175.80 2jot s PHE 30 N -0.48 0.03 -0.58 1.78 -0.12 -1.14 -5.01 117.98 112.46 2jot s PHE 30 Ca -0.06 -0.59 -0.22 0.00 -0.05 0.00 0.00 56.93 56.01 2jot s PHE 30 Cb -0.04 0.78 0.06 0.00 -0.63 0.00 0.00 43.02 43.19 2jot s PHE 30 CO 0.02 -1.36 0.86 0.42 -0.05 0.00 0.00 175.22 175.10 2jot s ILE 31 N -2.72 4.51 -0.48 -4.49 -1.09 -1.26 -2.23 121.20 113.44 2jot s ILE 31 Ca 0.15 -0.18 -0.23 0.00 -2.23 0.00 0.00 60.65 58.16 2jot s ILE 31 Cb -0.05 -4.52 0.03 0.00 -1.58 0.00 0.00 42.46 36.34 2jot s ILE 31 CO 0.09 -1.15 0.80 -0.47 -1.23 0.00 0.00 174.94 172.98 2jot s TYR 32 N 3.59 2.95 -0.02 3.97 5.04 0.33 -4.55 117.35 128.67 2jot s TYR 32 Ca 0.23 0.03 0.12 0.00 -2.44 0.00 0.00 57.07 55.00 2jot s TYR 32 Cb -0.16 -3.74 -0.16 0.00 0.35 0.00 0.00 41.96 38.26 2jot s TYR 32 CO 0.14 -1.08 1.06 0.78 -1.34 0.00 0.00 175.55 175.10 2jot h GLY 33 N 10.27 0.00 0.00 8.97 0.00 0.74 -3.18 103.07 119.87 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 0.99 0.00 0.00 0.61 0.00 0.00 0.00 176.54 178.14 2jot n GLY 34 N 1.39 -0.34 3.17 4.60 0.00 -1.23 -3.96 105.19 108.82 2jot n GLY 34 Ca -0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.58 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 4.74 1.62 3.30 0.00 0.00 -1.14 0.22 105.19 113.92 2jot n GLY 36 Ca -0.06 -0.59 -0.05 0.00 0.00 0.00 0.00 46.02 45.33 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 0.00 -0.57 0.00 -0.02 0.00 -1.26 -2.57 107.32 102.90 2jot s GLY 37 Ca 0.00 1.70 0.00 0.00 0.00 0.00 0.00 44.72 46.42 2jot s GLY 37 CO 0.00 2.79 0.00 1.16 0.00 0.00 0.00 173.10 177.05 2jot n ASN 38 N 5.41 0.00 0.00 1.64 0.23 -1.26 -5.04 115.26 116.24 2jot n ASN 38 Ca -0.07 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.98 2jot n ASN 38 Cb 0.50 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.20 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 4.35 0.92 0.00 4.83 0.00 -1.26 -4.84 105.19 109.20 2jot n GLY 39 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 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 0.00 1.24 -4.60 1.61 6.94 -1.26 -4.90 115.26 114.29 2jot n ASN 40 Ca 0.00 -0.46 -0.43 0.00 -0.02 0.00 0.00 54.58 53.67 2jot n ASN 40 Cb 0.25 1.23 -0.02 0.00 -2.36 0.00 0.00 39.78 38.88 2jot n ASN 40 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 2jot s LYS 41 N -2.41 3.65 0.11 -3.83 2.36 -1.26 -2.93 119.74 115.43 2jot s LYS 41 Ca 0.01 0.81 0.11 0.00 -2.55 0.00 0.00 55.97 54.34 2jot s LYS 41 Cb 0.08 -3.97 -0.04 0.00 -1.05 0.00 0.00 37.83 32.85 2jot s LYS 41 CO 0.49 -1.48 -0.27 -0.06 1.55 0.00 0.00 175.35 175.59 2jot s PHE 42 N 5.01 2.32 0.06 4.03 0.08 0.28 -4.93 117.98 124.83 2jot s PHE 42 Ca 0.56 -0.38 -0.31 0.00 0.12 0.00 0.00 56.93 56.92 2jot s PHE 42 Cb -0.11 -1.28 -0.16 0.00 -0.57 0.00 0.00 43.02 40.90 2jot s PHE 42 CO 0.32 0.30 1.46 -1.35 -0.10 0.00 0.00 175.22 175.86 2jot h PRO 43 N 4.04 -0.97 -6.10 0.24 0.11 -1.92 0.89 132.00 128.29 2jot h PRO 43 Ca -0.50 0.07 -0.51 0.00 0.11 0.00 0.00 66.00 65.16 2jot h PRO 43 Cb 1.16 0.22 -0.05 0.00 0.11 0.00 0.00 31.00 32.45 2jot h PRO 43 CO 0.40 -0.65 -0.41 0.95 -0.21 0.00 0.00 178.00 178.08 2jot s THR 44 N -5.41 2.61 0.27 -1.15 -4.23 -1.26 -3.22 115.64 103.24 2jot s THR 44 Ca -0.16 -1.45 0.10 0.00 -1.18 0.00 0.00 61.69 59.01 2jot s THR 44 Cb 0.02 -3.01 -0.03 0.00 1.34 0.00 0.00 72.50 70.83 2jot s THR 44 CO 0.49 -0.01 1.61 0.06 -0.54 0.00 0.00 174.62 176.23 2jot h GLN 45 N 1.15 0.02 -0.99 3.99 3.07 -1.95 -3.11 115.11 117.30 2jot h GLN 45 Ca -0.42 -0.01 0.15 0.00 0.09 0.00 0.00 58.65 58.45 2jot h GLN 45 Cb 1.26 0.00 -0.09 0.00 0.08 0.00 0.00 27.48 28.73 2jot h GLN 45 CO 0.61 0.63 0.62 1.49 0.09 0.00 0.00 178.83 182.27 2jot h GLU 46 N 0.01 0.85 0.00 0.06 4.22 -1.99 0.86 114.58 118.60 2jot h GLU 46 Ca -0.01 -0.05 -0.14 0.00 0.08 0.00 0.00 59.36 59.24 2jot h GLU 46 Cb 1.10 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.14 2jot h GLU 46 CO 0.08 0.56 -0.69 0.00 -2.18 0.00 0.00 179.01 176.78 2jot h ALA 47 N 1.58 0.62 -0.05 2.92 0.00 -1.93 -1.38 119.26 121.02 2jot h ALA 47 Ca 0.52 -0.63 0.02 0.00 0.00 0.00 0.00 54.91 54.82 2jot h ALA 47 Cb 0.67 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 2jot h ALA 47 CO -0.29 0.86 -0.06 0.00 0.00 0.00 0.00 179.25 179.76 2jot h MET 49 N -0.08 0.11 0.00 0.00 2.86 -1.55 -2.95 114.93 113.32 2jot h MET 49 Ca 0.04 -0.19 0.00 0.00 -2.06 0.00 0.00 59.70 57.49 2jot h MET 49 Cb 0.14 0.07 0.00 0.00 0.06 0.00 0.00 31.60 31.87 2jot h MET 49 CO -0.10 0.88 0.00 1.17 1.06 0.00 0.00 176.91 179.92 2jot n LYS 50 N -3.29 0.00 -0.06 1.72 4.81 -0.52 0.11 118.16 120.93 2jot n LYS 50 Ca -0.14 0.22 -0.07 0.00 -0.87 0.00 0.00 58.31 57.45 2jot n LYS 50 Cb 1.02 -1.50 -0.08 0.00 0.02 0.00 0.00 35.03 34.49 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 -1.50 1.67 -0.01 1.64 3.00 0.05 -3.32 116.66 118.18 2jot n ARG 51 Ca 0.04 0.02 -0.00 0.00 -0.00 0.00 0.00 57.85 57.90 2jot n ARG 51 Cb 0.19 -1.30 -0.01 0.00 0.00 0.00 0.00 32.46 31.34 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 0.09 0.63 0.00 0.00 0.00 0.71 -3.42 119.26 117.26 2jot h ALA 53 Ca -0.03 -1.00 0.00 0.00 0.00 0.00 0.00 54.91 53.88 2jot h ALA 53 Cb 0.81 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2jot h ALA 53 CO 0.00 1.17 -0.27 1.63 0.00 0.00 0.00 179.25 181.77 2jot n LYS 54 N -3.10 0.15 0.00 0.00 5.02 0.25 -4.96 118.16 115.52 2jot n LYS 54 Ca -0.08 0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 2jot n LYS 54 Cb 0.91 -0.64 0.00 0.00 -0.02 0.00 0.00 35.03 35.28 2jot n LYS 54 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88