#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jx8 s PRO 2 N 0.00 1.02 0.59 3.23 0.04 -1.26 -4.63 135.00 133.98 2jx8 s PRO 2 Ca 0.00 0.38 0.29 0.00 0.04 0.00 0.00 61.00 61.72 2jx8 s PRO 2 Cb 0.00 -1.82 1.41 0.00 0.04 0.00 0.00 34.50 34.13 2jx8 s PRO 2 CO 0.00 -2.30 1.81 1.49 0.04 0.00 0.00 177.00 178.04 2jx8 h GLU 3 N -1.57 0.00 -0.01 4.56 4.57 -2.04 -0.59 114.58 119.49 2jx8 h GLU 3 Ca -0.51 0.00 0.01 0.00 -1.18 0.00 0.00 59.36 57.68 2jx8 h GLU 3 Cb 1.33 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.90 2jx8 h GLU 3 CO 0.61 0.00 -0.05 0.93 -1.18 0.00 0.00 179.01 179.32 2jx8 h GLU 4 N 0.00 -0.08 0.11 1.92 5.08 -2.00 -1.27 114.58 118.33 2jx8 h GLU 4 Ca 0.29 0.01 -0.22 0.00 -1.00 0.00 0.00 59.36 58.44 2jx8 h GLU 4 Cb 1.54 0.02 0.02 0.00 0.50 0.00 0.00 28.75 30.83 2jx8 h GLU 4 CO -0.00 -0.05 -0.92 -0.07 -1.00 0.00 0.00 179.01 176.97 2jx8 h LEU 5 N -0.08 0.62 -1.33 1.33 3.38 -1.46 -3.25 115.31 114.51 2jx8 h LEU 5 Ca 0.03 -0.87 0.17 0.00 0.09 0.00 0.00 57.88 57.30 2jx8 h LEU 5 Cb 0.12 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 40.60 2jx8 h LEU 5 CO -0.06 1.43 0.59 0.58 0.09 0.00 0.00 178.44 181.06 2jx8 h VAL 6 N -0.10 0.76 -0.66 1.22 2.07 -1.32 0.51 116.25 118.73 2jx8 h VAL 6 Ca -0.15 -0.20 -0.08 0.00 0.82 0.00 0.00 66.70 67.09 2jx8 h VAL 6 Cb 1.67 0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.52 2jx8 h VAL 6 CO 0.18 0.11 0.10 -0.74 0.02 0.00 0.00 177.57 177.23 2jx8 h HIS 7 N 0.59 1.17 0.00 1.57 2.76 -1.27 -2.45 115.15 117.51 2jx8 h HIS 7 Ca 0.47 -0.17 -0.05 0.00 -2.20 0.00 0.00 60.37 58.43 2jx8 h HIS 7 Cb 0.92 -0.32 -0.01 0.00 1.55 0.00 0.00 27.41 29.55 2jx8 h HIS 7 CO -0.00 0.98 -0.23 0.00 -1.30 0.00 0.00 177.93 177.38 2jx8 h ALA 8 N 1.04 1.57 0.00 5.26 0.00 -0.95 -3.46 119.26 122.72 2jx8 h ALA 8 Ca 0.20 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2jx8 h ALA 8 Cb 0.45 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2jx8 h ALA 8 CO 0.01 0.29 0.00 0.41 0.00 0.00 0.00 179.25 179.97 2jx8 n GLY 9 N -0.82 1.46 3.80 0.00 0.00 -0.86 -4.36 105.19 104.41 2jx8 n GLY 9 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 2jx8 n GLY 9 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2jx8 s TRP 10 N -2.00 2.98 -0.29 1.61 0.52 -1.10 -1.31 118.94 119.35 2jx8 s TRP 10 Ca 0.00 1.49 -0.14 0.00 0.02 0.00 0.00 56.10 57.47 2jx8 s TRP 10 Cb 0.00 -2.98 0.12 0.00 -1.15 0.00 0.00 33.47 29.45 2jx8 s TRP 10 CO 0.00 -1.23 0.75 -1.83 0.02 0.00 0.00 176.95 174.66 2jx8 s GLU 11 N -4.41 0.57 -0.45 4.98 -1.05 -1.17 -4.58 118.70 112.59 2jx8 s GLU 11 Ca 0.62 1.17 -0.29 0.00 -0.15 0.00 0.00 54.97 56.32 2jx8 s GLU 11 Cb -0.16 0.42 0.02 0.00 -0.44 0.00 0.00 34.13 33.98 2jx8 s GLU 11 CO 0.44 -0.15 1.25 0.21 0.95 0.00 0.00 175.26 177.95 2jx8 s LYS 12 N 2.13 3.66 0.42 -4.83 2.20 -1.26 -2.21 119.74 119.86 2jx8 s LYS 12 Ca -0.08 0.71 0.03 0.00 -0.36 0.00 0.00 55.97 56.27 2jx8 s LYS 12 Cb -0.07 -3.96 -0.01 0.00 -1.51 0.00 0.00 37.83 32.28 2jx8 s LYS 12 CO -0.19 -1.46 0.11 0.00 -0.36 0.00 0.00 175.35 173.45 2jx8 s TRP 14 N -2.98 3.33 -0.30 0.00 -0.11 -1.26 -1.58 118.94 116.03 2jx8 s TRP 14 Ca 0.15 -1.73 -0.29 0.00 1.22 0.00 0.00 56.10 55.45 2jx8 s TRP 14 Cb 0.01 -2.53 -0.01 0.00 -1.50 0.00 0.00 33.47 29.44 2jx8 s TRP 14 CO 0.11 -0.81 1.44 0.45 -4.62 0.00 0.00 176.95 173.52 2jx8 s SER 15 N 1.57 6.47 0.21 5.86 0.15 0.87 -4.87 113.70 123.97 2jx8 s SER 15 Ca 0.00 1.25 -0.09 0.00 0.70 0.00 0.00 55.95 57.81 2jx8 s SER 15 Cb -0.21 -2.54 0.15 0.00 -1.71 0.00 0.00 66.02 61.72 2jx8 s SER 15 CO 0.00 -1.24 1.81 -0.09 1.20 0.00 0.00 173.24 174.92 2jx8 h ARG 16 N 10.20 1.09 -0.22 5.44 1.12 -1.96 0.24 114.38 130.28 2jx8 h ARG 16 Ca -0.29 -0.15 0.02 0.00 -1.11 0.00 0.00 59.98 58.45 2jx8 h ARG 16 Cb 1.12 -0.20 -0.02 0.00 -0.01 0.00 0.00 29.97 30.85 2jx8 h ARG 16 CO 1.04 0.83 0.09 -0.09 -3.11 0.00 0.00 179.97 178.72 2jx8 h ARG 17 N 1.07 0.19 0.00 0.20 2.43 -1.95 -1.78 114.38 114.54 2jx8 h ARG 17 Ca 0.27 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 2jx8 h ARG 17 Cb 0.08 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 2jx8 h ARG 17 CO -0.04 0.13 -0.04 0.39 -1.51 0.00 0.00 179.97 178.90 2jx8 n GLU 18 N -5.03 0.10 -3.47 0.20 -0.58 -1.10 -4.93 120.64 105.83 2jx8 n GLU 18 Ca -0.02 0.08 -0.19 0.00 -0.42 0.00 0.00 57.16 56.61 2jx8 n GLU 18 Cb 0.07 -1.61 0.09 0.00 -0.57 0.00 0.00 31.44 29.42 2jx8 n GLU 18 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 2jx8 n ASN 19 N -1.78 -3.29 -3.65 1.62 2.85 0.82 -4.97 115.26 106.86 2jx8 n ASN 19 Ca 0.06 -0.59 0.00 0.00 -0.11 0.00 0.00 54.58 53.94 2jx8 n ASN 19 Cb 0.37 -5.07 -0.00 0.00 1.24 0.00 0.00 39.78 36.32 2jx8 n ASN 19 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2jx8 s ARG 20 N -5.63 0.66 0.62 1.20 1.04 -1.04 -5.01 118.95 110.79 2jx8 s ARG 20 Ca 0.17 -0.37 -0.05 0.00 -1.04 0.00 0.00 55.73 54.44 2jx8 s ARG 20 Cb -0.07 0.22 0.03 0.00 -2.04 0.00 0.00 34.95 33.08 2jx8 s ARG 20 CO 0.72 -0.30 0.91 -1.25 -0.04 0.00 0.00 175.30 175.34 2jx8 s PRO 21 N -2.58 2.61 0.00 3.89 0.04 -1.26 -0.09 135.00 137.61 2jx8 s PRO 21 Ca 0.16 -0.25 0.00 0.00 0.04 0.00 0.00 61.00 60.95 2jx8 s PRO 21 Cb 0.02 -2.29 0.00 0.00 0.04 0.00 0.00 34.50 32.28 2jx8 s PRO 21 CO -0.01 -0.87 0.00 2.48 0.04 0.00 0.00 177.00 178.64 2jx8 n TYR 22 N -2.63 0.00 -4.07 0.56 4.11 -0.62 -4.82 117.16 109.69 2jx8 n TYR 22 Ca 0.06 0.00 -0.22 0.00 -0.00 0.00 0.00 57.90 57.74 2jx8 n TYR 22 Cb 0.59 0.00 -0.17 0.00 -0.00 0.00 0.00 39.34 39.76 2jx8 n TYR 22 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.86 177.57 2jx8 s TYR 23 N -1.19 0.89 -0.22 -3.48 1.51 -1.18 -3.00 117.35 110.68 2jx8 s TYR 23 Ca 0.00 -0.30 0.02 0.00 -1.01 0.00 0.00 57.07 55.78 2jx8 s TYR 23 Cb 0.00 -0.81 0.04 0.00 -0.11 0.00 0.00 41.96 41.08 2jx8 s TYR 23 CO 0.00 -0.28 -0.15 0.12 -1.11 0.00 0.00 175.55 174.13 2jx8 s PHE 24 N 1.26 3.02 -0.71 2.71 5.36 -0.94 -0.58 117.98 128.11 2jx8 s PHE 24 Ca -0.05 -1.99 -0.27 0.00 -0.96 0.00 0.00 56.93 53.65 2jx8 s PHE 24 Cb -0.14 -1.92 0.03 0.00 -0.34 0.00 0.00 43.02 40.65 2jx8 s PHE 24 CO -0.02 -0.84 1.31 1.21 -1.46 0.00 0.00 175.22 175.41 2jx8 s ASN 25 N 1.20 6.15 0.01 6.13 3.04 -0.27 -3.01 114.94 128.18 2jx8 s ASN 25 Ca -0.02 -0.31 0.07 0.00 0.04 0.00 0.00 52.86 52.64 2jx8 s ASN 25 Cb -0.17 -2.56 0.29 0.00 -1.54 0.00 0.00 41.25 37.27 2jx8 s ASN 25 CO -0.09 -1.82 1.21 -2.11 -3.04 0.00 0.00 177.10 171.26 2jx8 n ARG 26 N 9.22 0.00 -0.07 0.43 1.85 -0.42 0.94 116.66 128.61 2jx8 n ARG 26 Ca 0.05 0.39 -0.21 0.00 -1.00 0.00 0.00 57.85 57.08 2jx8 n ARG 26 Cb 0.49 -1.51 -0.12 0.00 -1.05 0.00 0.00 32.46 30.27 2jx8 n ARG 26 CO 0.00 0.00 0.00 0.35 -0.01 0.00 0.00 177.63 177.97 2jx8 h PHE 27 N 0.00 0.14 -0.37 2.89 3.04 -1.76 -3.38 116.94 117.50 2jx8 h PHE 27 Ca 0.00 -0.10 0.00 0.00 3.98 0.00 0.00 57.97 61.85 2jx8 h PHE 27 Cb 0.11 -0.01 0.00 0.00 2.56 0.00 0.00 35.95 38.62 2jx8 h PHE 27 CO 0.00 1.49 0.00 0.25 -2.02 0.00 0.00 178.31 178.03 2jx8 n THR 28 N -4.24 1.72 -1.24 4.41 -2.24 -1.06 -4.93 114.28 106.71 2jx8 n THR 28 Ca -0.29 -1.41 -0.11 0.00 -2.27 0.00 0.00 64.05 59.98 2jx8 n THR 28 Cb 0.75 0.10 -0.05 0.00 -2.10 0.00 0.00 70.33 69.04 2jx8 n THR 28 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2jx8 n ASN 29 N 0.20 -4.50 -4.72 3.42 2.85 0.27 -4.91 115.26 107.86 2jx8 n ASN 29 Ca 0.18 0.27 -0.32 0.00 -0.11 0.00 0.00 54.58 54.61 2jx8 n ASN 29 Cb 0.72 -3.58 0.12 0.00 1.24 0.00 0.00 39.78 38.28 2jx8 n ASN 29 CO 0.00 0.00 0.00 -1.58 -2.11 0.00 0.00 177.26 173.57 2jx8 s GLN 30 N -2.77 1.70 -0.40 1.20 0.74 -1.08 -4.74 119.66 114.31 2jx8 s GLN 30 Ca 0.00 1.44 0.03 0.00 0.05 0.00 0.00 55.36 56.88 2jx8 s GLN 30 Cb 0.00 -1.81 0.16 0.00 1.10 0.00 0.00 33.01 32.46 2jx8 s GLN 30 CO 0.00 -2.11 0.38 -1.54 -0.55 0.00 0.00 175.29 171.47 2jx8 s SER 31 N -2.82 1.24 0.13 6.67 1.04 -1.26 -1.11 113.70 117.59 2jx8 s SER 31 Ca 0.66 -2.12 0.00 0.00 0.48 0.00 0.00 55.95 54.97 2jx8 s SER 31 Cb -0.22 0.28 0.00 0.00 0.10 0.00 0.00 66.02 66.18 2jx8 s SER 31 CO 0.55 -0.22 0.00 0.18 0.98 0.00 0.00 173.24 174.73 2jx8 n LEU 32 N 3.67 0.00 0.00 2.42 4.77 0.25 -4.92 117.00 123.19 2jx8 n LEU 32 Ca 0.17 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 2jx8 n LEU 32 Cb 0.46 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 2jx8 n LEU 32 CO 0.08 -0.13 0.14 0.79 -1.33 0.00 0.00 177.39 176.95 2jx8 n TRP 33 N -0.39 0.00 -3.67 -1.77 7.02 -1.26 -3.12 117.44 114.24 2jx8 n TRP 33 Ca 0.00 -0.03 -0.15 0.00 -1.02 0.00 0.00 57.50 56.31 2jx8 n TRP 33 Cb 0.00 -0.00 -0.08 0.00 -2.42 0.00 0.00 31.31 28.81 2jx8 n TRP 33 CO 0.00 0.00 0.00 -2.00 -2.02 0.00 0.00 177.69 173.67 2jx8 s GLU 34 N -0.05 0.76 -0.47 -0.99 2.12 -1.26 -4.74 118.70 114.06 2jx8 s GLU 34 Ca 0.00 0.21 -0.45 0.00 0.36 0.00 0.00 54.97 55.10 2jx8 s GLU 34 Cb 0.00 0.35 -0.19 0.00 0.26 0.00 0.00 34.13 34.55 2jx8 s GLU 34 CO 0.00 -0.19 1.51 -1.33 -0.54 0.00 0.00 175.26 174.71 2jx8 n MET 35 N 1.64 0.00 -0.19 4.30 2.81 -1.26 -4.82 117.12 119.60 2jx8 n MET 35 Ca -0.18 0.00 -0.03 0.00 -1.81 0.00 0.00 57.70 55.67 2jx8 n MET 35 Cb 0.56 -1.43 0.02 0.00 -0.71 0.00 0.00 33.22 31.67 2jx8 n MET 35 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 2jx8 n PRO 36 N 3.76 -0.44 -4.56 0.03 -0.04 -1.26 -5.10 135.00 127.38 2jx8 n PRO 36 Ca 0.29 -0.22 -0.26 0.00 -0.04 0.00 0.00 63.50 63.27 2jx8 n PRO 36 Cb -0.05 -0.16 -0.10 0.00 -0.04 0.00 0.00 33.50 33.14 2jx8 n PRO 36 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2jx8 s VAL 37 N -1.30 1.40 -0.03 0.52 1.01 -1.26 -5.07 120.40 115.67 2jx8 s VAL 37 Ca 0.08 -2.00 -0.29 0.00 0.00 0.00 0.00 61.98 59.77 2jx8 s VAL 37 Cb -0.00 -2.72 0.11 0.00 0.00 0.00 0.00 36.38 33.76 2jx8 s VAL 37 CO 0.06 0.00 0.91 -0.22 0.00 0.00 0.00 175.10 175.85 2jx8 s LEU 38 N -3.64 -0.36 0.00 3.92 0.20 -1.26 -4.98 118.68 112.56 2jx8 s LEU 38 Ca 0.30 0.05 0.00 0.00 0.69 0.00 0.00 54.13 55.17 2jx8 s LEU 38 Cb 0.07 1.99 0.00 0.00 -0.43 0.00 0.00 46.19 47.82 2jx8 s LEU 38 CO 0.14 -0.58 0.00 0.61 -0.29 0.00 0.00 176.35 176.24 2jx8 n GLY 39 N -0.12 1.06 3.60 7.98 0.00 -1.26 -5.06 105.19 111.40 2jx8 n GLY 39 Ca -0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.50 2jx8 n GLY 39 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jx8 s GLN 40 N -0.02 3.50 0.25 1.61 -0.21 -1.26 -4.87 119.66 118.66 2jx8 s GLN 40 Ca 0.00 1.05 -0.04 0.00 0.02 0.00 0.00 55.36 56.40 2jx8 s GLN 40 Cb 0.00 -4.08 0.29 0.00 1.00 0.00 0.00 33.01 30.22 2jx8 s GLN 40 CO 0.00 -1.66 1.77 0.45 -2.12 0.00 0.00 175.29 173.72 2jx8 h HIS 41 N 11.32 0.95 -1.96 0.91 3.86 -2.05 -3.45 115.15 124.73 2jx8 h HIS 41 Ca -0.29 -0.11 0.00 0.00 -1.16 0.00 0.00 60.37 58.80 2jx8 h HIS 41 Cb 1.12 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 29.32 2jx8 h HIS 41 CO 0.97 0.82 0.00 -3.47 0.86 0.00 0.00 177.93 177.11 2jx8 n ASP 42 N -4.24 1.04 -4.95 2.45 -0.08 -1.26 -5.15 116.55 104.36 2jx8 n ASP 42 Ca 0.04 0.00 -0.24 0.00 -1.51 0.00 0.00 54.79 53.08 2jx8 n ASP 42 Cb 0.27 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.70 2jx8 n ASP 42 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2jx8 s VAL 43 N 0.99 5.20 -0.73 5.18 1.01 -1.26 -5.02 120.40 125.78 2jx8 s VAL 43 Ca 0.00 -0.62 -0.26 0.00 0.00 0.00 0.00 61.98 61.10 2jx8 s VAL 43 Cb 0.00 -3.81 0.01 0.00 0.00 0.00 0.00 36.38 32.58 2jx8 s VAL 43 CO 0.00 -0.33 1.54 -0.63 0.00 0.00 0.00 175.10 175.69 2jx8 s ILE 44 N -2.02 3.59 -0.72 2.22 1.01 -1.26 -4.86 121.20 119.16 2jx8 s ILE 44 Ca 0.37 0.18 -0.03 0.00 0.00 0.00 0.00 60.65 61.18 2jx8 s ILE 44 Cb -0.10 -4.53 0.26 0.00 0.01 0.00 0.00 42.46 38.09 2jx8 s ILE 44 CO 0.31 -1.48 2.27 -0.24 0.00 0.00 0.00 174.94 175.80 2jx8 n SER 45 N 10.81 7.19 -1.34 3.58 2.88 -1.26 -5.00 113.62 130.48 2jx8 n SER 45 Ca 0.14 -3.63 0.14 0.00 -1.33 0.00 0.00 58.87 54.19 2jx8 n SER 45 Cb 0.50 -1.12 -0.08 0.00 -0.75 0.00 0.00 64.21 62.76 2jx8 n SER 45 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2jx8 n ASP 46 N -0.08 -6.77 0.00 -3.46 8.00 -1.26 -5.32 116.55 107.66 2jx8 n ASP 46 Ca 0.52 1.30 0.10 0.00 0.71 0.00 0.00 54.79 57.42 2jx8 n ASP 46 Cb 0.33 -4.54 0.61 0.00 -0.02 0.00 0.00 41.12 37.51 2jx8 n ASP 46 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00