#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 0.62 0.66 3.23 0.04 -1.26 -4.73 135.00 133.55 2jx8 s PRO 2 Ca 0.00 0.29 0.24 0.00 0.04 0.00 0.00 61.00 61.57 2jx8 s PRO 2 Cb 0.00 -1.78 1.27 0.00 0.04 0.00 0.00 34.50 34.03 2jx8 s PRO 2 CO 0.00 -2.55 1.72 1.49 0.04 0.00 0.00 177.00 177.70 2jx8 h GLU 3 N -1.75 0.00 0.29 4.56 4.57 -2.04 -1.52 114.58 118.69 2jx8 h GLU 3 Ca -0.51 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 57.66 2jx8 h GLU 3 Cb 1.33 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.91 2jx8 h GLU 3 CO 0.57 0.00 -0.22 1.49 -1.18 0.00 0.00 179.01 179.67 2jx8 h GLU 4 N 0.00 -0.49 -0.18 1.92 4.81 -2.01 -1.45 114.58 117.19 2jx8 h GLU 4 Ca 0.03 0.03 -0.20 0.00 -0.13 0.00 0.00 59.36 59.10 2jx8 h GLU 4 Cb 1.04 0.11 0.01 0.00 0.63 0.00 0.00 28.75 30.54 2jx8 h GLU 4 CO -0.00 -0.33 -0.65 -0.07 -0.73 0.00 0.00 179.01 177.23 2jx8 h LEU 5 N -0.51 0.88 -1.06 1.64 3.38 -1.61 -3.14 115.31 114.90 2jx8 h LEU 5 Ca -0.02 -0.60 0.18 0.00 0.09 0.00 0.00 57.88 57.52 2jx8 h LEU 5 Cb 0.44 -0.26 -0.10 0.00 0.09 0.00 0.00 40.66 40.84 2jx8 h LEU 5 CO -0.00 1.34 0.62 0.58 0.09 0.00 0.00 178.44 181.06 2jx8 h VAL 6 N 0.48 0.75 -0.47 1.22 2.07 -1.40 0.12 116.25 119.02 2jx8 h VAL 6 Ca -0.03 -0.27 -0.07 0.00 0.82 0.00 0.00 66.70 67.15 2jx8 h VAL 6 Cb 1.28 -0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 2jx8 h VAL 6 CO 0.14 0.14 -0.01 -0.74 0.02 0.00 0.00 177.57 177.12 2jx8 h HIS 7 N 0.79 0.84 -0.44 1.57 2.76 -1.21 -2.73 115.15 116.73 2jx8 h HIS 7 Ca 0.55 -0.12 -0.07 0.00 -2.20 0.00 0.00 60.37 58.53 2jx8 h HIS 7 Cb 0.83 -0.23 -0.02 0.00 1.55 0.00 0.00 27.41 29.54 2jx8 h HIS 7 CO -0.00 0.78 -0.00 0.00 -1.30 0.00 0.00 177.93 177.41 2jx8 h ALA 8 N 1.25 1.17 0.00 5.26 0.00 -0.77 -3.46 119.26 122.72 2jx8 h ALA 8 Ca 0.14 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2jx8 h ALA 8 Cb 0.46 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2jx8 h ALA 8 CO 0.02 0.54 0.00 0.41 0.00 0.00 0.00 179.25 180.22 2jx8 n GLY 9 N -0.70 1.51 3.87 0.00 0.00 -0.87 -4.66 105.19 104.34 2jx8 n GLY 9 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.62 3.41 -0.11 1.61 0.52 -1.14 -0.09 118.94 121.52 2jx8 s TRP 10 Ca 0.00 0.99 -0.05 0.00 0.02 0.00 0.00 56.10 57.06 2jx8 s TRP 10 Cb 0.00 -2.35 0.05 0.00 -1.15 0.00 0.00 33.47 30.02 2jx8 s TRP 10 CO 0.00 0.22 0.24 -1.21 0.02 0.00 0.00 176.95 176.22 2jx8 s GLU 11 N -2.85 0.16 0.00 4.98 2.02 -1.07 -4.48 118.70 117.47 2jx8 s GLU 11 Ca 0.49 0.62 -0.30 0.00 0.02 0.00 0.00 54.97 55.80 2jx8 s GLU 11 Cb -0.11 -0.10 -0.05 0.00 0.10 0.00 0.00 34.13 33.97 2jx8 s GLU 11 CO 0.20 -0.23 1.29 0.21 0.02 0.00 0.00 175.26 176.75 2jx8 s LYS 12 N 1.83 4.34 0.29 1.61 2.20 -1.26 -2.58 119.74 126.17 2jx8 s LYS 12 Ca -0.04 1.83 -0.00 0.00 -0.36 0.00 0.00 55.97 57.40 2jx8 s LYS 12 Cb -0.11 -3.50 0.00 0.00 -1.51 0.00 0.00 37.83 32.71 2jx8 s LYS 12 CO -0.08 -0.46 0.38 0.00 -0.36 0.00 0.00 175.35 174.84 2jx8 s TRP 14 N -3.25 3.39 -0.28 0.00 -0.11 -1.26 -2.07 118.94 115.36 2jx8 s TRP 14 Ca 0.25 -2.42 -0.29 0.00 1.22 0.00 0.00 56.10 54.87 2jx8 s TRP 14 Cb -0.00 -2.23 -0.01 0.00 -1.50 0.00 0.00 33.47 29.73 2jx8 s TRP 14 CO 0.18 -0.89 1.42 0.45 -4.62 0.00 0.00 176.95 173.49 2jx8 s SER 15 N 1.11 6.54 0.15 5.86 0.15 0.12 -4.86 113.70 122.77 2jx8 s SER 15 Ca -0.03 1.31 -0.13 0.00 0.70 0.00 0.00 55.95 57.79 2jx8 s SER 15 Cb -0.20 -2.54 0.03 0.00 -1.71 0.00 0.00 66.02 61.60 2jx8 s SER 15 CO -0.05 -1.18 1.67 0.03 1.20 0.00 0.00 173.24 174.91 2jx8 h ARG 16 N 9.92 0.78 -0.32 5.44 3.08 -1.96 0.18 114.38 131.50 2jx8 h ARG 16 Ca -0.29 -0.17 0.06 0.00 0.07 0.00 0.00 59.98 59.65 2jx8 h ARG 16 Cb 1.12 -0.11 -0.05 0.00 0.08 0.00 0.00 29.97 31.00 2jx8 h ARG 16 CO 1.03 0.74 -0.03 0.00 -1.07 0.00 0.00 179.97 180.63 2jx8 h ARG 17 N 0.67 0.05 0.00 0.04 3.08 -1.95 -0.49 114.38 115.78 2jx8 h ARG 17 Ca 0.16 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.21 2jx8 h ARG 17 Cb 0.29 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.33 2jx8 h ARG 17 CO -0.00 0.03 -0.04 0.39 -1.07 0.00 0.00 179.97 179.28 2jx8 n GLU 18 N -5.21 0.07 -3.41 0.04 -0.58 -1.14 -4.94 120.64 105.48 2jx8 n GLU 18 Ca 0.00 0.06 -0.17 0.00 -0.42 0.00 0.00 57.16 56.63 2jx8 n GLU 18 Cb 0.17 -1.58 0.09 0.00 -0.57 0.00 0.00 31.44 29.55 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 -1.71 -2.46 -3.70 1.62 2.85 0.59 -4.97 115.26 107.48 2jx8 n ASN 19 Ca 0.06 -0.62 0.03 0.00 -0.11 0.00 0.00 54.58 53.94 2jx8 n ASN 19 Cb 0.36 -5.11 0.00 0.00 1.24 0.00 0.00 39.78 36.27 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 -5.26 0.21 0.57 1.20 1.70 -0.94 -5.01 118.95 111.41 2jx8 s ARG 20 Ca 0.04 -0.13 -0.05 0.00 -0.47 0.00 0.00 55.73 55.13 2jx8 s ARG 20 Cb -0.01 0.07 0.01 0.00 -0.57 0.00 0.00 34.95 34.45 2jx8 s ARG 20 CO 0.73 -0.10 0.86 -1.25 -1.08 0.00 0.00 175.30 174.46 2jx8 s PRO 21 N -2.14 2.92 0.00 3.89 0.04 -1.26 0.16 135.00 138.62 2jx8 s PRO 21 Ca 0.20 -0.10 0.00 0.00 0.04 0.00 0.00 61.00 61.14 2jx8 s PRO 21 Cb 0.04 -2.32 0.00 0.00 0.04 0.00 0.00 34.50 32.26 2jx8 s PRO 21 CO -0.04 -0.64 0.00 2.48 0.04 0.00 0.00 177.00 178.84 2jx8 n TYR 22 N -2.51 0.00 -3.72 0.56 4.11 -0.88 -4.81 117.16 109.91 2jx8 n TYR 22 Ca 0.04 0.00 -0.16 0.00 -0.00 0.00 0.00 57.90 57.78 2jx8 n TYR 22 Cb 0.58 0.00 -0.16 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 -0.21 -0.07 -0.27 -3.48 1.51 -1.19 -3.73 117.35 109.92 2jx8 s TYR 23 Ca 0.00 0.37 0.03 0.00 -1.01 0.00 0.00 57.07 56.45 2jx8 s TYR 23 Cb 0.00 -0.24 0.06 0.00 -0.11 0.00 0.00 41.96 41.67 2jx8 s TYR 23 CO 0.00 -0.17 -0.10 0.12 -1.11 0.00 0.00 175.55 174.29 2jx8 s PHE 24 N 1.55 3.29 -0.73 2.71 5.36 -1.07 -0.73 117.98 128.37 2jx8 s PHE 24 Ca -0.04 -2.34 -0.27 0.00 -0.96 0.00 0.00 56.93 53.32 2jx8 s PHE 24 Cb -0.12 -1.98 0.02 0.00 -0.34 0.00 0.00 43.02 40.60 2jx8 s PHE 24 CO -0.05 -0.88 1.39 1.21 -1.46 0.00 0.00 175.22 175.43 2jx8 s ASN 25 N 1.10 6.01 0.28 6.13 2.47 -0.16 -2.59 114.94 128.17 2jx8 s ASN 25 Ca -0.08 -0.35 0.18 0.00 0.42 0.00 0.00 52.86 53.04 2jx8 s ASN 25 Cb -0.20 -2.56 0.98 0.00 -1.45 0.00 0.00 41.25 38.03 2jx8 s ASN 25 CO -0.05 -1.93 1.55 -2.11 -3.72 0.00 0.00 177.10 170.84 2jx8 n ARG 26 N 9.33 0.12 0.03 0.43 1.85 0.87 0.78 116.66 130.07 2jx8 n ARG 26 Ca 0.07 0.61 -0.02 0.00 -1.00 0.00 0.00 57.85 57.51 2jx8 n ARG 26 Cb 0.50 -1.90 -0.01 0.00 -1.05 0.00 0.00 32.46 29.99 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 -0.64 2.89 3.04 -1.83 -3.36 116.94 116.90 2jx8 h PHE 27 Ca 0.00 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 2jx8 h PHE 27 Cb 0.03 0.05 0.00 0.00 2.56 0.00 0.00 35.95 38.59 2jx8 h PHE 27 CO 0.00 -0.09 0.00 -2.37 -2.02 0.00 0.00 178.31 173.83 2jx8 n THR 28 N -3.87 2.14 -1.50 4.41 5.66 -1.12 -4.90 114.28 115.09 2jx8 n THR 28 Ca -0.02 -1.26 -0.17 0.00 -3.05 0.00 0.00 64.05 59.55 2jx8 n THR 28 Cb 0.06 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 68.77 2jx8 n THR 28 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 2jx8 n ASN 29 N 1.01 -5.15 -4.71 1.09 5.15 0.23 -4.93 115.26 107.96 2jx8 n ASN 29 Ca 0.27 0.43 -0.32 0.00 -0.60 0.00 0.00 54.58 54.36 2jx8 n ASN 29 Cb 1.00 -4.41 0.12 0.00 -0.53 0.00 0.00 39.78 35.95 2jx8 n ASN 29 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 2jx8 s GLN 30 N -3.46 1.77 -0.38 1.20 0.74 -1.05 -4.73 119.66 113.75 2jx8 s GLN 30 Ca 0.00 1.56 0.02 0.00 0.05 0.00 0.00 55.36 57.00 2jx8 s GLN 30 Cb 0.00 -1.81 0.15 0.00 1.10 0.00 0.00 33.01 32.45 2jx8 s GLN 30 CO 0.00 -2.08 0.33 -1.54 -0.55 0.00 0.00 175.29 171.45 2jx8 s SER 31 N -2.53 1.70 0.15 6.67 1.04 -1.26 -0.99 113.70 118.49 2jx8 s SER 31 Ca 0.69 -2.10 0.00 0.00 0.48 0.00 0.00 55.95 55.02 2jx8 s SER 31 Cb -0.24 0.10 0.00 0.00 0.10 0.00 0.00 66.02 65.98 2jx8 s SER 31 CO 0.52 -0.25 0.00 0.18 0.98 0.00 0.00 173.24 174.67 2jx8 n LEU 32 N 3.83 0.00 0.00 2.42 4.77 0.09 -4.92 117.00 123.19 2jx8 n LEU 32 Ca 0.16 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 2jx8 n LEU 32 Cb 0.43 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 2jx8 n LEU 32 CO 0.10 -0.16 0.14 0.79 -1.33 0.00 0.00 177.39 176.93 2jx8 n TRP 33 N -0.47 0.00 -3.69 -1.77 7.02 -1.26 -3.16 117.44 114.12 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 0.74 -0.02 -0.99 -6.30 -1.26 -4.72 118.70 106.10 2jx8 s GLU 34 Ca 0.00 0.15 -0.40 0.00 -2.50 0.00 0.00 54.97 52.22 2jx8 s GLU 34 Cb 0.00 0.34 -0.20 0.00 0.00 0.00 0.00 34.13 34.27 2jx8 s GLU 34 CO 0.00 -0.19 1.12 -1.33 0.02 0.00 0.00 175.26 174.88 2jx8 n MET 35 N 1.60 0.11 0.00 4.30 2.81 -1.26 -4.83 117.12 119.84 2jx8 n MET 35 Ca -0.19 0.04 0.00 0.00 -1.81 0.00 0.00 57.70 55.74 2jx8 n MET 35 Cb 0.56 -1.55 0.00 0.00 -0.71 0.00 0.00 33.22 31.52 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 1.73 0.33 -4.70 0.03 -0.04 -1.26 -5.11 135.00 125.98 2jx8 n PRO 36 Ca 0.20 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.36 2jx8 n PRO 36 Cb 0.08 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.45 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 -0.65 1.49 0.02 0.52 1.01 -1.26 -5.13 120.40 116.40 2jx8 s VAL 37 Ca 0.00 -2.00 -0.09 0.00 0.00 0.00 0.00 61.98 59.89 2jx8 s VAL 37 Cb 0.00 -2.50 0.00 0.00 0.00 0.00 0.00 36.38 33.88 2jx8 s VAL 37 CO 0.00 0.00 0.17 -0.22 0.00 0.00 0.00 175.10 175.05 2jx8 s LEU 38 N -3.81 1.43 0.00 3.92 0.20 -1.26 -5.03 118.68 114.13 2jx8 s LEU 38 Ca 0.18 -0.27 0.00 0.00 0.69 0.00 0.00 54.13 54.73 2jx8 s LEU 38 Cb 0.05 0.84 0.00 0.00 -0.43 0.00 0.00 46.19 46.65 2jx8 s LEU 38 CO 0.09 -0.46 0.00 0.61 -0.29 0.00 0.00 176.35 176.30 2jx8 n GLY 39 N 1.07 -1.21 0.62 7.98 0.00 -1.26 -5.17 105.19 107.22 2jx8 n GLY 39 Ca -0.21 0.88 -0.06 0.00 0.00 0.00 0.00 46.02 46.63 2jx8 n GLY 39 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2jx8 n GLN 40 N 0.00 -2.37 -4.04 1.61 6.02 -1.26 -3.91 117.38 113.42 2jx8 n GLN 40 Ca 0.00 -0.27 -0.31 0.00 -0.01 0.00 0.00 57.00 56.41 2jx8 n GLN 40 Cb 0.00 -0.37 -0.01 0.00 1.02 0.00 0.00 30.24 30.88 2jx8 n GLN 40 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63 2jx8 n HIS 41 N -3.50 -1.84 -2.38 1.08 -0.00 -1.26 -4.95 115.22 102.36 2jx8 n HIS 41 Ca 0.03 0.81 0.00 0.00 0.46 0.00 0.00 57.72 59.01 2jx8 n HIS 41 Cb 0.11 -3.50 0.00 0.00 -0.12 0.00 0.00 29.99 26.48 2jx8 n HIS 41 CO 0.00 0.00 0.00 -0.40 0.46 0.00 0.00 176.34 176.40 2jx8 n ASP 42 N -2.82 0.25 -4.68 0.26 5.68 -1.25 -5.00 116.55 108.99 2jx8 n ASP 42 Ca -0.08 -0.26 -0.49 0.00 -0.50 0.00 0.00 54.79 53.47 2jx8 n ASP 42 Cb 0.57 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.50 2jx8 n ASP 42 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 2jx8 n VAL 43 N -0.22 0.37 -2.21 2.12 0.24 -1.26 -4.96 118.33 112.41 2jx8 n VAL 43 Ca 0.00 -0.07 -0.22 0.00 -2.04 0.00 0.00 64.34 62.01 2jx8 n VAL 43 Cb 0.00 -1.65 0.13 0.00 -1.47 0.00 0.00 33.84 30.85 2jx8 n VAL 43 CO 0.00 0.00 0.00 2.30 -2.14 0.00 0.00 176.83 176.99 2jx8 n ILE 44 N 4.51 0.00 -3.57 1.34 -5.35 -1.26 -5.08 119.36 109.95 2jx8 n ILE 44 Ca 0.21 -1.11 -0.29 0.00 -0.27 0.00 0.00 62.75 61.29 2jx8 n ILE 44 Cb 0.27 -1.24 -0.14 0.00 -1.74 0.00 0.00 39.64 36.78 2jx8 n ILE 44 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 2jx8 s SER 45 N -4.74 3.49 -0.05 7.28 0.15 -1.26 -5.10 113.70 113.47 2jx8 s SER 45 Ca 0.60 -1.73 -0.31 0.00 0.70 0.00 0.00 55.95 55.20 2jx8 s SER 45 Cb -0.03 -0.53 -0.10 0.00 -1.71 0.00 0.00 66.02 63.66 2jx8 s SER 45 CO 0.41 -0.38 1.98 -0.90 1.20 0.00 0.00 173.24 175.54 2jx8 n ASP 46 N 4.67 3.77 0.00 5.45 5.68 -1.26 -5.33 116.55 129.53 2jx8 n ASP 46 Ca 0.01 0.83 0.11 0.00 -0.50 0.00 0.00 54.79 55.24 2jx8 n ASP 46 Cb 0.40 -1.47 0.63 0.00 -1.14 0.00 0.00 41.12 39.54 2jx8 n ASP 46 CO 0.00 0.00 0.00 -0.81 -1.33 0.00 0.00 177.20 175.06