#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 0.67 0.47 3.23 0.04 -1.26 -4.67 135.00 133.48 2jx8 s PRO 2 Ca 0.00 0.31 0.25 0.00 0.04 0.00 0.00 61.00 61.60 2jx8 s PRO 2 Cb 0.00 -1.78 1.28 0.00 0.04 0.00 0.00 34.50 34.04 2jx8 s PRO 2 CO 0.00 -2.52 1.83 1.49 0.04 0.00 0.00 177.00 177.84 2jx8 h GLU 3 N -1.73 0.21 -0.39 4.56 4.57 -2.05 -0.04 114.58 119.71 2jx8 h GLU 3 Ca -0.52 -0.01 0.03 0.00 -1.18 0.00 0.00 59.36 57.69 2jx8 h GLU 3 Cb 1.33 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 29.83 2jx8 h GLU 3 CO 0.58 0.14 0.19 0.93 -1.18 0.00 0.00 179.01 179.67 2jx8 h GLU 4 N 0.22 0.37 -0.10 1.92 5.08 -2.01 -1.31 114.58 118.74 2jx8 h GLU 4 Ca 0.51 -0.02 -0.20 0.00 -1.00 0.00 0.00 59.36 58.65 2jx8 h GLU 4 Cb 1.60 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.77 2jx8 h GLU 4 CO -0.14 0.24 -0.76 -0.07 -1.00 0.00 0.00 179.01 177.29 2jx8 h LEU 5 N 0.38 0.66 -1.69 1.33 3.38 -1.36 -3.11 115.31 114.90 2jx8 h LEU 5 Ca 0.17 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2jx8 h LEU 5 Cb 0.09 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 2jx8 h LEU 5 CO -0.13 1.20 0.21 0.58 0.09 0.00 0.00 178.44 180.39 2jx8 h VAL 6 N 0.37 1.08 -0.58 1.22 2.07 -0.92 -1.96 116.25 117.53 2jx8 h VAL 6 Ca -0.04 -0.15 -0.06 0.00 0.82 0.00 0.00 66.70 67.28 2jx8 h VAL 6 Cb 1.35 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 2jx8 h VAL 6 CO 0.14 0.08 0.14 0.45 0.02 0.00 0.00 177.57 178.40 2jx8 h HIS 7 N 0.43 0.98 -0.51 1.57 3.86 -1.18 -2.79 115.15 117.50 2jx8 h HIS 7 Ca 0.12 -0.12 -0.07 0.00 -1.16 0.00 0.00 60.37 59.14 2jx8 h HIS 7 Cb -0.04 -0.27 -0.02 0.00 1.06 0.00 0.00 27.41 28.13 2jx8 h HIS 7 CO -0.00 0.83 0.03 0.00 0.86 0.00 0.00 177.93 179.65 2jx8 h ALA 8 N 1.03 1.09 0.00 2.45 0.00 -1.41 -3.47 119.26 118.95 2jx8 h ALA 8 Ca 0.18 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2jx8 h ALA 8 Cb 0.35 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2jx8 h ALA 8 CO 0.00 0.58 0.00 0.41 0.00 0.00 0.00 179.25 180.24 2jx8 n GLY 9 N -0.65 1.32 3.92 0.00 0.00 -0.97 -4.45 105.19 104.36 2jx8 n GLY 9 Ca 0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 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 3.53 -0.28 1.61 0.52 -1.13 -0.55 118.94 120.64 2jx8 s TRP 10 Ca 0.00 0.58 -0.22 0.00 0.02 0.00 0.00 56.10 56.49 2jx8 s TRP 10 Cb 0.00 -2.11 0.09 0.00 -1.15 0.00 0.00 33.47 30.31 2jx8 s TRP 10 CO 0.00 -0.09 0.82 -1.83 0.02 0.00 0.00 176.95 175.87 2jx8 s GLU 11 N -4.54 0.67 0.06 4.98 -1.05 -1.17 -4.76 118.70 112.88 2jx8 s GLU 11 Ca 0.44 0.92 -0.24 0.00 -0.15 0.00 0.00 54.97 55.94 2jx8 s GLU 11 Cb -0.10 0.26 -0.06 0.00 -0.44 0.00 0.00 34.13 33.79 2jx8 s GLU 11 CO 0.41 -0.10 0.74 0.21 0.95 0.00 0.00 175.26 177.46 2jx8 s LYS 12 N 0.79 4.47 0.32 -4.83 2.20 -1.26 -1.68 119.74 119.76 2jx8 s LYS 12 Ca -0.03 1.02 -0.05 0.00 -0.36 0.00 0.00 55.97 56.55 2jx8 s LYS 12 Cb -0.05 -3.34 0.02 0.00 -1.51 0.00 0.00 37.83 32.96 2jx8 s LYS 12 CO -0.08 0.36 0.51 0.00 -0.36 0.00 0.00 175.35 175.78 2jx8 s TRP 14 N -3.19 3.45 -0.08 0.00 -0.11 -1.26 -1.31 118.94 116.43 2jx8 s TRP 14 Ca 0.21 -2.14 -0.30 0.00 1.22 0.00 0.00 56.10 55.10 2jx8 s TRP 14 Cb -0.02 -2.76 -0.03 0.00 -1.50 0.00 0.00 33.47 29.15 2jx8 s TRP 14 CO 0.16 -0.89 1.31 0.45 -4.62 0.00 0.00 176.95 173.36 2jx8 s SER 15 N 1.59 6.93 0.25 5.86 0.15 0.83 -4.86 113.70 124.45 2jx8 s SER 15 Ca 0.03 1.88 0.02 0.00 0.70 0.00 0.00 55.95 58.58 2jx8 s SER 15 Cb -0.21 -2.55 0.30 0.00 -1.71 0.00 0.00 66.02 61.85 2jx8 s SER 15 CO -0.02 -0.72 1.62 0.03 1.20 0.00 0.00 173.24 175.35 2jx8 h ARG 16 N 8.03 0.39 0.10 5.44 3.08 -1.96 0.37 114.38 129.83 2jx8 h ARG 16 Ca -0.33 -0.21 -0.01 0.00 0.07 0.00 0.00 59.98 59.51 2jx8 h ARG 16 Cb 1.14 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.20 2jx8 h ARG 16 CO 0.93 0.77 -0.05 0.00 -1.07 0.00 0.00 179.97 180.55 2jx8 h ARG 17 N 0.32 -0.13 0.00 0.04 3.08 -1.95 -2.57 114.38 113.17 2jx8 h ARG 17 Ca 0.02 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.08 2jx8 h ARG 17 Cb 0.92 0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.00 2jx8 h ARG 17 CO 0.08 -0.01 -0.05 0.39 -1.07 0.00 0.00 179.97 179.30 2jx8 n GLU 18 N -5.11 0.08 -3.42 0.04 -0.58 -1.21 -4.93 120.64 105.51 2jx8 n GLU 18 Ca -0.08 0.06 -0.17 0.00 -0.42 0.00 0.00 57.16 56.55 2jx8 n GLU 18 Cb 0.12 -1.59 0.09 0.00 -0.57 0.00 0.00 31.44 29.49 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 -1.72 -2.38 -3.67 1.62 2.85 0.08 -4.97 115.26 107.07 2jx8 n ASN 19 Ca 0.06 -0.63 0.02 0.00 -0.11 0.00 0.00 54.58 53.93 2jx8 n ASN 19 Cb 0.37 -5.13 0.00 0.00 1.24 0.00 0.00 39.78 36.26 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 -5.29 0.34 0.64 1.20 1.04 -0.98 -5.01 118.95 110.89 2jx8 s ARG 20 Ca 0.03 -0.20 -0.07 0.00 -1.04 0.00 0.00 55.73 54.46 2jx8 s ARG 20 Cb -0.00 0.11 0.03 0.00 -2.04 0.00 0.00 34.95 33.04 2jx8 s ARG 20 CO 0.73 -0.16 0.95 -1.25 -0.04 0.00 0.00 175.30 175.54 2jx8 s PRO 21 N -2.24 2.68 0.00 3.89 0.04 -1.26 -0.12 135.00 137.99 2jx8 s PRO 21 Ca 0.19 -0.05 0.00 0.00 0.04 0.00 0.00 61.00 61.18 2jx8 s PRO 21 Cb 0.04 -2.22 0.00 0.00 0.04 0.00 0.00 34.50 32.36 2jx8 s PRO 21 CO -0.03 -0.90 0.00 2.48 0.04 0.00 0.00 177.00 178.58 2jx8 n TYR 22 N -2.73 0.00 -4.41 0.56 4.11 -0.43 -4.81 117.16 109.45 2jx8 n TYR 22 Ca 0.06 0.00 -0.20 0.00 -0.00 0.00 0.00 57.90 57.76 2jx8 n TYR 22 Cb 0.58 0.00 -0.15 0.00 -0.00 0.00 0.00 39.34 39.77 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 -1.33 0.94 -0.17 -3.48 1.51 -1.16 -2.78 117.35 110.88 2jx8 s TYR 23 Ca 0.00 -0.21 -0.02 0.00 -1.01 0.00 0.00 57.07 55.83 2jx8 s TYR 23 Cb 0.00 -0.64 0.05 0.00 -0.11 0.00 0.00 41.96 41.26 2jx8 s TYR 23 CO 0.00 -0.06 0.00 0.12 -1.11 0.00 0.00 175.55 174.50 2jx8 s PHE 24 N -0.01 1.24 -0.65 2.71 5.36 -0.67 -0.34 117.98 125.63 2jx8 s PHE 24 Ca 0.00 -0.86 -0.27 0.00 -0.96 0.00 0.00 56.93 54.84 2jx8 s PHE 24 Cb -0.06 -1.10 0.02 0.00 -0.34 0.00 0.00 43.02 41.53 2jx8 s PHE 24 CO 0.00 -0.58 1.38 1.21 -1.46 0.00 0.00 175.22 175.77 2jx8 s ASN 25 N 1.79 6.09 0.09 6.13 3.04 -0.09 -3.07 114.94 128.93 2jx8 s ASN 25 Ca 0.00 -0.05 0.10 0.00 0.04 0.00 0.00 52.86 52.95 2jx8 s ASN 25 Cb -0.16 -2.55 0.48 0.00 -1.54 0.00 0.00 41.25 37.48 2jx8 s ASN 25 CO -0.07 -1.81 1.31 -2.11 -3.04 0.00 0.00 177.10 171.38 2jx8 n ARG 26 N 8.99 0.05 -0.08 0.43 1.85 0.29 0.93 116.66 129.12 2jx8 n ARG 26 Ca 0.09 0.47 -0.11 0.00 -1.00 0.00 0.00 57.85 57.30 2jx8 n ARG 26 Cb 0.49 -1.64 -0.06 0.00 -1.05 0.00 0.00 32.46 30.21 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 0.00 -0.67 2.89 3.04 -1.78 -3.38 116.94 117.04 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 0.09 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.60 2jx8 h PHE 27 CO 0.00 0.62 0.00 0.25 -2.02 0.00 0.00 178.31 177.16 2jx8 n THR 28 N -4.59 1.72 -1.22 4.41 -2.24 -1.12 -4.90 114.28 106.35 2jx8 n THR 28 Ca -0.14 -1.16 -0.10 0.00 -2.27 0.00 0.00 64.05 60.38 2jx8 n THR 28 Cb 0.38 0.17 -0.04 0.00 -2.10 0.00 0.00 70.33 68.74 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 1.23 -4.70 -4.70 3.42 5.15 0.26 -4.91 115.26 111.01 2jx8 n ASN 29 Ca 0.26 0.25 -0.31 0.00 -0.60 0.00 0.00 54.58 54.18 2jx8 n ASN 29 Cb 0.86 -3.63 0.14 0.00 -0.53 0.00 0.00 39.78 36.63 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 -2.71 1.39 -0.38 1.20 0.74 -1.07 -4.72 119.66 114.11 2jx8 s GLN 30 Ca 0.00 1.46 0.03 0.00 0.05 0.00 0.00 55.36 56.90 2jx8 s GLN 30 Cb 0.00 -1.78 0.16 0.00 1.10 0.00 0.00 33.01 32.49 2jx8 s GLN 30 CO 0.00 -2.34 0.37 -1.54 -0.55 0.00 0.00 175.29 171.23 2jx8 s SER 31 N -2.84 1.25 0.06 6.67 1.04 -1.26 -0.91 113.70 117.71 2jx8 s SER 31 Ca 0.65 -1.73 0.00 0.00 0.48 0.00 0.00 55.95 55.35 2jx8 s SER 31 Cb -0.21 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.37 2jx8 s SER 31 CO 0.57 -0.25 0.00 0.18 0.98 0.00 0.00 173.24 174.72 2jx8 n LEU 32 N 4.09 0.00 0.00 2.42 4.77 0.54 -4.92 117.00 123.91 2jx8 n LEU 32 Ca 0.13 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 2jx8 n LEU 32 Cb 0.45 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 2jx8 n LEU 32 CO 0.09 -0.08 0.13 0.79 -1.33 0.00 0.00 177.39 176.99 2jx8 n TRP 33 N -0.23 0.00 -3.66 -1.77 7.02 -1.26 -2.97 117.44 114.57 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 -0.07 0.00 -2.42 0.00 0.00 31.31 28.82 2jx8 n TRP 33 CO 0.00 0.00 0.00 -1.21 -2.02 0.00 0.00 177.69 174.46 2jx8 s GLU 34 N -0.05 0.86 -0.05 -0.99 0.41 -1.26 -4.73 118.70 112.88 2jx8 s GLU 34 Ca 0.00 -0.10 -0.40 0.00 -0.41 0.00 0.00 54.97 54.06 2jx8 s GLU 34 Cb 0.00 0.39 -0.19 0.00 -1.78 0.00 0.00 34.13 32.55 2jx8 s GLU 34 CO 0.00 -0.27 1.22 -0.12 -0.49 0.00 0.00 175.26 175.61 2jx8 n MET 35 N 0.95 0.31 -1.75 1.61 1.56 -1.26 -4.80 117.12 113.73 2jx8 n MET 35 Ca -0.20 0.11 -0.24 0.00 -0.27 0.00 0.00 57.70 57.10 2jx8 n MET 35 Cb 0.57 -1.65 0.16 0.00 2.15 0.00 0.00 33.22 34.45 2jx8 n MET 35 CO 0.00 0.00 0.00 -0.35 -0.73 0.00 0.00 175.97 174.89 2jx8 n PRO 36 N 2.19 -0.89 -4.49 2.12 -0.04 -1.26 -5.12 135.00 127.52 2jx8 n PRO 36 Ca 0.21 -1.86 -0.24 0.00 -0.04 0.00 0.00 63.50 61.56 2jx8 n PRO 36 Cb 0.09 -1.05 -0.08 0.00 -0.04 0.00 0.00 33.50 32.42 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 -3.31 0.64 0.27 0.52 1.01 -1.26 -5.01 120.40 113.26 2jx8 s VAL 37 Ca 0.63 -2.00 -0.16 0.00 0.00 0.00 0.00 61.98 60.44 2jx8 s VAL 37 Cb -0.02 -2.41 0.01 0.00 0.00 0.00 0.00 36.38 33.95 2jx8 s VAL 37 CO 0.44 0.00 0.60 -0.22 0.00 0.00 0.00 175.10 175.92 2jx8 s LEU 38 N -3.57 0.05 0.00 3.92 0.20 -1.26 -4.97 118.68 113.05 2jx8 s LEU 38 Ca 0.26 -0.80 0.00 0.00 0.69 0.00 0.00 54.13 54.28 2jx8 s LEU 38 Cb 0.03 2.24 0.00 0.00 -0.43 0.00 0.00 46.19 48.04 2jx8 s LEU 38 CO 0.15 -1.26 0.00 0.61 -0.29 0.00 0.00 176.35 175.56 2jx8 n GLY 39 N -0.43 1.21 3.69 7.98 0.00 -1.26 -5.11 105.19 111.27 2jx8 n GLY 39 Ca -0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 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 0.00 4.28 -0.51 1.61 -1.52 -1.26 -4.96 119.66 117.30 2jx8 s GLN 40 Ca 0.00 2.00 -0.23 0.00 -1.95 0.00 0.00 55.36 55.18 2jx8 s GLN 40 Cb 0.00 -3.55 0.04 0.00 -0.22 0.00 0.00 33.01 29.28 2jx8 s GLN 40 CO 0.00 -0.58 0.84 -1.01 -0.25 0.00 0.00 175.29 174.29 2jx8 s HIS 41 N 2.32 2.90 0.00 0.91 3.76 -1.26 -5.04 115.29 118.89 2jx8 s HIS 41 Ca 0.65 -0.04 0.00 0.00 -0.15 0.00 0.00 55.06 55.51 2jx8 s HIS 41 Cb -0.32 -3.85 0.00 0.00 1.11 0.00 0.00 32.58 29.52 2jx8 s HIS 41 CO 0.27 -1.17 0.00 -0.25 -0.85 0.00 0.00 174.74 172.74 2jx8 n ASP 42 N 6.99 -0.25 -4.77 1.40 8.00 -1.26 -4.97 116.55 121.70 2jx8 n ASP 42 Ca 0.01 -0.39 -0.39 0.00 0.71 0.00 0.00 54.79 54.73 2jx8 n ASP 42 Cb 0.47 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.56 2jx8 n ASP 42 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2jx8 s VAL 43 N -0.51 2.94 0.52 2.53 1.01 -1.26 -4.95 120.40 120.67 2jx8 s VAL 43 Ca 0.00 0.82 -0.22 0.00 0.00 0.00 0.00 61.98 62.58 2jx8 s VAL 43 Cb 0.00 -3.47 -0.06 0.00 0.00 0.00 0.00 36.38 32.84 2jx8 s VAL 43 CO 0.00 0.10 1.19 -0.38 0.00 0.00 0.00 175.10 176.01 2jx8 n ILE 44 N 0.17 3.38 -3.26 2.22 5.41 -1.26 -4.96 119.36 121.05 2jx8 n ILE 44 Ca 0.04 -0.50 -0.36 0.00 1.00 0.00 0.00 62.75 62.93 2jx8 n ILE 44 Cb 0.45 -1.44 -0.06 0.00 -0.71 0.00 0.00 39.64 37.88 2jx8 n ILE 44 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 2jx8 s SER 45 N -0.91 6.92 -1.09 4.38 0.15 -1.26 -4.29 113.70 117.60 2jx8 s SER 45 Ca 0.70 1.21 -0.17 0.00 0.70 0.00 0.00 55.95 58.38 2jx8 s SER 45 Cb -0.45 -2.34 -0.02 0.00 -1.71 0.00 0.00 66.02 61.50 2jx8 s SER 45 CO 0.51 0.08 0.80 0.47 1.20 0.00 0.00 173.24 176.31 2jx8 n ASP 46 N 0.80 -5.65 0.00 5.45 8.00 -1.26 -5.31 116.55 118.58 2jx8 n ASP 46 Ca -0.04 -0.92 0.11 0.00 0.71 0.00 0.00 54.79 54.64 2jx8 n ASP 46 Cb 0.51 -3.69 0.62 0.00 -0.02 0.00 0.00 41.12 38.55 2jx8 n ASP 46 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00