#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 0.74 0.56 3.23 0.04 -1.26 -4.68 135.00 133.64 2jx8 s PRO 2 Ca 0.00 0.34 0.31 0.00 0.04 0.00 0.00 61.00 61.70 2jx8 s PRO 2 Cb 0.00 -1.79 1.46 0.00 0.04 0.00 0.00 34.50 34.21 2jx8 s PRO 2 CO 0.00 -2.48 1.84 1.49 0.04 0.00 0.00 177.00 177.89 2jx8 h GLU 3 N -1.70 0.00 -0.62 4.56 4.81 -2.04 0.69 114.58 120.28 2jx8 h GLU 3 Ca -0.52 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 58.75 2jx8 h GLU 3 Cb 1.33 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.67 2jx8 h GLU 3 CO 0.59 0.00 0.36 0.93 -0.73 0.00 0.00 179.01 180.16 2jx8 h GLU 4 N 0.00 0.67 0.09 1.92 3.07 -1.95 -1.47 114.58 116.92 2jx8 h GLU 4 Ca 0.39 -0.04 -0.24 0.00 -0.50 0.00 0.00 59.36 58.97 2jx8 h GLU 4 Cb 1.72 -0.15 0.02 0.00 -0.84 0.00 0.00 28.75 29.50 2jx8 h GLU 4 CO -0.00 0.45 -1.00 -0.07 -1.40 0.00 0.00 179.01 176.99 2jx8 h LEU 5 N 0.70 0.72 -1.54 1.33 3.38 -1.20 -3.24 115.31 115.45 2jx8 h LEU 5 Ca 0.26 -0.83 0.15 0.00 0.09 0.00 0.00 57.88 57.55 2jx8 h LEU 5 Cb 0.08 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.56 2jx8 h LEU 5 CO -0.13 1.47 0.51 0.58 0.09 0.00 0.00 178.44 180.97 2jx8 h VAL 6 N 0.06 0.80 -0.37 1.22 2.07 -1.19 -0.72 116.25 118.12 2jx8 h VAL 6 Ca -0.15 -0.16 -0.03 0.00 0.82 0.00 0.00 66.70 67.18 2jx8 h VAL 6 Cb 1.71 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 2jx8 h VAL 6 CO 0.19 0.08 0.10 -0.74 0.02 0.00 0.00 177.57 177.22 2jx8 h HIS 7 N 0.45 0.61 0.55 1.57 2.76 -1.30 -3.28 115.15 116.51 2jx8 h HIS 7 Ca 0.38 -0.07 -0.03 0.00 -2.20 0.00 0.00 60.37 58.45 2jx8 h HIS 7 Cb 0.83 -0.17 0.01 0.00 1.55 0.00 0.00 27.41 29.62 2jx8 h HIS 7 CO -0.00 0.60 -0.26 0.00 -1.30 0.00 0.00 177.93 176.96 2jx8 h ALA 8 N 0.94 -0.93 0.00 5.26 0.00 -1.22 -3.48 119.26 119.84 2jx8 h ALA 8 Ca 0.12 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2jx8 h ALA 8 Cb 0.28 0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2jx8 h ALA 8 CO -0.00 -0.87 0.00 0.41 0.00 0.00 0.00 179.25 178.79 2jx8 n GLY 9 N -0.59 0.00 3.93 0.00 0.00 -0.68 -4.73 105.19 103.12 2jx8 n GLY 9 Ca -0.09 0.00 -0.25 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 0.00 3.52 -0.28 1.61 0.52 -1.18 -0.80 118.94 122.34 2jx8 s TRP 10 Ca 0.00 0.50 -0.20 0.00 0.02 0.00 0.00 56.10 56.42 2jx8 s TRP 10 Cb 0.00 -2.03 0.10 0.00 -1.15 0.00 0.00 33.47 30.39 2jx8 s TRP 10 CO 0.00 -0.01 0.81 -1.83 0.02 0.00 0.00 176.95 175.94 2jx8 s GLU 11 N -4.44 0.65 0.21 4.98 -1.05 -1.18 -4.74 118.70 113.12 2jx8 s GLU 11 Ca 0.42 0.95 -0.30 0.00 -0.15 0.00 0.00 54.97 55.90 2jx8 s GLU 11 Cb -0.10 0.22 -0.08 0.00 -0.44 0.00 0.00 34.13 33.73 2jx8 s GLU 11 CO 0.39 -0.11 0.99 0.21 0.95 0.00 0.00 175.26 177.69 2jx8 s LYS 12 N 1.01 4.75 0.30 -4.83 2.20 -1.26 -1.87 119.74 120.04 2jx8 s LYS 12 Ca -0.05 1.56 -0.08 0.00 -0.36 0.00 0.00 55.97 57.04 2jx8 s LYS 12 Cb -0.05 -3.29 0.00 0.00 -1.51 0.00 0.00 37.83 32.99 2jx8 s LYS 12 CO -0.11 0.33 0.50 0.00 -0.36 0.00 0.00 175.35 175.71 2jx8 s TRP 14 N -3.39 3.38 0.00 0.00 -0.11 -1.26 -1.35 118.94 116.21 2jx8 s TRP 14 Ca 0.26 -1.76 -0.30 0.00 1.22 0.00 0.00 56.10 55.52 2jx8 s TRP 14 Cb -0.01 -2.90 -0.05 0.00 -1.50 0.00 0.00 33.47 29.01 2jx8 s TRP 14 CO 0.14 -0.87 1.24 0.45 -4.62 0.00 0.00 176.95 173.30 2jx8 s SER 15 N 1.94 7.02 -0.01 5.86 0.15 0.10 -4.87 113.70 123.90 2jx8 s SER 15 Ca 0.03 1.96 -0.22 0.00 0.70 0.00 0.00 55.95 58.42 2jx8 s SER 15 Cb -0.23 -2.57 -0.19 0.00 -1.71 0.00 0.00 66.02 61.32 2jx8 s SER 15 CO 0.00 -0.57 1.19 0.03 1.20 0.00 0.00 173.24 175.10 2jx8 h ARG 16 N 7.26 0.25 -0.66 5.44 -0.00 -1.96 -0.19 114.38 124.52 2jx8 h ARG 16 Ca -0.38 -0.18 0.11 0.00 -0.50 0.00 0.00 59.98 59.02 2jx8 h ARG 16 Cb 1.19 0.03 -0.08 0.00 0.00 0.00 0.00 29.97 31.11 2jx8 h ARG 16 CO 0.86 0.81 0.25 0.00 0.00 0.00 0.00 179.97 181.89 2jx8 h ARG 17 N -0.27 0.42 0.00 0.04 3.08 -1.95 0.60 114.38 116.30 2jx8 h ARG 17 Ca -0.01 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 2jx8 h ARG 17 Cb 0.83 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.79 2jx8 h ARG 17 CO 0.04 0.28 -0.20 0.39 -1.07 0.00 0.00 179.97 179.41 2jx8 n GLU 18 N -4.99 0.17 -3.48 0.04 -0.58 -1.23 -4.94 120.64 105.63 2jx8 n GLU 18 Ca 0.10 0.11 -0.18 0.00 -0.42 0.00 0.00 57.16 56.77 2jx8 n GLU 18 Cb 0.31 -1.67 0.08 0.00 -0.57 0.00 0.00 31.44 29.60 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 -1.95 -1.92 -3.69 1.62 2.85 0.20 -4.96 115.26 107.40 2jx8 n ASN 19 Ca 0.05 -0.66 0.03 0.00 -0.11 0.00 0.00 54.58 53.90 2jx8 n ASN 19 Cb 0.40 -4.94 0.00 0.00 1.24 0.00 0.00 39.78 36.48 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 -5.46 0.25 0.63 1.20 1.04 -0.89 -5.01 118.95 110.71 2jx8 s ARG 20 Ca 0.00 -0.15 -0.06 0.00 -1.04 0.00 0.00 55.73 54.48 2jx8 s ARG 20 Cb -0.00 0.08 0.03 0.00 -2.04 0.00 0.00 34.95 33.01 2jx8 s ARG 20 CO 0.74 -0.12 0.94 -1.25 -0.04 0.00 0.00 175.30 175.57 2jx8 s PRO 21 N -2.17 2.69 0.00 3.89 0.04 -1.26 0.01 135.00 138.21 2jx8 s PRO 21 Ca 0.20 -0.09 0.00 0.00 0.04 0.00 0.00 61.00 61.15 2jx8 s PRO 21 Cb 0.04 -2.24 0.00 0.00 0.04 0.00 0.00 34.50 32.34 2jx8 s PRO 21 CO -0.04 -0.87 0.00 2.48 0.04 0.00 0.00 177.00 178.61 2jx8 n TYR 22 N -2.69 0.00 -3.95 0.56 4.11 -0.46 -4.80 117.16 109.94 2jx8 n TYR 22 Ca 0.06 0.00 -0.16 0.00 -0.00 0.00 0.00 57.90 57.80 2jx8 n TYR 22 Cb 0.58 0.00 -0.16 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 -0.22 0.28 -0.19 -3.48 1.51 -1.16 -3.26 117.35 110.83 2jx8 s TYR 23 Ca 0.00 -0.01 -0.01 0.00 -1.01 0.00 0.00 57.07 56.05 2jx8 s TYR 23 Cb 0.00 -0.33 0.05 0.00 -0.11 0.00 0.00 41.96 41.57 2jx8 s TYR 23 CO 0.00 -0.09 -0.03 0.12 -1.11 0.00 0.00 175.55 174.44 2jx8 s PHE 24 N 0.73 1.75 -0.44 2.71 5.36 -0.78 -0.28 117.98 127.02 2jx8 s PHE 24 Ca -0.07 -1.24 -0.29 0.00 -0.96 0.00 0.00 56.93 54.37 2jx8 s PHE 24 Cb -0.10 -1.33 0.02 0.00 -0.34 0.00 0.00 43.02 41.27 2jx8 s PHE 24 CO -0.01 -0.66 1.25 1.21 -1.46 0.00 0.00 175.22 175.54 2jx8 s ASN 25 N 1.61 6.53 0.00 6.13 2.47 -0.03 -3.12 114.94 128.53 2jx8 s ASN 25 Ca -0.02 0.66 0.15 0.00 0.42 0.00 0.00 52.86 54.07 2jx8 s ASN 25 Cb -0.17 -2.55 0.75 0.00 -1.45 0.00 0.00 41.25 37.84 2jx8 s ASN 25 CO -0.07 -1.31 1.40 -2.11 -3.72 0.00 0.00 177.10 171.29 2jx8 n ARG 26 N 7.88 0.23 -0.09 0.43 1.85 0.02 -0.06 116.66 126.93 2jx8 n ARG 26 Ca 0.14 0.14 -0.14 0.00 -1.00 0.00 0.00 57.85 56.99 2jx8 n ARG 26 Cb 0.48 -1.50 -0.07 0.00 -1.05 0.00 0.00 32.46 30.32 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 -0.40 2.89 3.57 -1.85 -3.39 116.94 117.76 2jx8 h PHE 27 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2jx8 h PHE 27 Cb 0.13 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.87 2jx8 h PHE 27 CO 0.00 0.82 0.00 -2.37 -2.23 0.00 0.00 178.31 174.53 2jx8 n THR 28 N -4.54 2.05 -1.59 4.41 5.66 -1.20 -4.92 114.28 114.14 2jx8 n THR 28 Ca -0.19 -1.52 -0.19 0.00 -3.05 0.00 0.00 64.05 59.10 2jx8 n THR 28 Cb 0.47 -0.05 -0.08 0.00 -1.55 0.00 0.00 70.33 69.12 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 0.16 -5.09 -4.71 1.09 2.85 0.91 -4.92 115.26 105.55 2jx8 n ASN 29 Ca 0.21 0.46 -0.32 0.00 -0.11 0.00 0.00 54.58 54.82 2jx8 n ASN 29 Cb 0.86 -4.52 0.12 0.00 1.24 0.00 0.00 39.78 37.48 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 -3.69 1.69 -0.40 1.20 0.74 -1.02 -4.73 119.66 113.46 2jx8 s GLN 30 Ca 0.00 1.58 0.04 0.00 0.05 0.00 0.00 55.36 57.03 2jx8 s GLN 30 Cb 0.00 -1.80 0.16 0.00 1.10 0.00 0.00 33.01 32.47 2jx8 s GLN 30 CO 0.00 -2.13 0.42 -1.54 -0.55 0.00 0.00 175.29 171.49 2jx8 s SER 31 N -2.50 0.81 0.18 6.67 1.04 -1.26 -0.85 113.70 117.79 2jx8 s SER 31 Ca 0.69 -1.89 0.00 0.00 0.48 0.00 0.00 55.95 55.23 2jx8 s SER 31 Cb -0.25 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.45 2jx8 s SER 31 CO 0.52 -0.21 0.00 0.18 0.98 0.00 0.00 173.24 174.71 2jx8 n LEU 32 N 3.78 0.00 0.00 2.42 4.77 0.61 -4.91 117.00 123.67 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 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 2jx8 n LEU 32 CO 0.07 -0.18 0.16 0.79 -1.33 0.00 0.00 177.39 176.90 2jx8 n TRP 33 N -0.55 0.00 -3.70 -1.77 7.02 -1.26 -3.00 117.44 114.18 2jx8 n TRP 33 Ca 0.00 -0.03 -0.14 0.00 -1.02 0.00 0.00 57.50 56.31 2jx8 n TRP 33 Cb 0.00 -0.00 -0.09 0.00 -2.42 0.00 0.00 31.31 28.80 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 -0.07 0.63 -0.25 -0.99 2.02 -1.26 -4.78 118.70 114.00 2jx8 s GLU 34 Ca 0.00 0.39 -0.42 0.00 0.02 0.00 0.00 54.97 54.96 2jx8 s GLU 34 Cb 0.00 0.30 -0.19 0.00 0.10 0.00 0.00 34.13 34.34 2jx8 s GLU 34 CO 0.00 -0.13 1.29 -1.33 0.02 0.00 0.00 175.26 175.12 2jx8 n MET 35 N 2.22 0.00 -1.92 1.61 2.81 -1.26 -4.85 117.12 115.73 2jx8 n MET 35 Ca -0.16 0.00 -0.30 0.00 -1.81 0.00 0.00 57.70 55.43 2jx8 n MET 35 Cb 0.57 -1.44 0.16 0.00 -0.71 0.00 0.00 33.22 31.80 2jx8 n MET 35 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 2jx8 s PRO 36 N 1.50 0.99 0.35 0.03 0.04 -1.26 -5.10 135.00 131.54 2jx8 s PRO 36 Ca 0.94 -0.27 0.09 0.00 0.04 0.00 0.00 61.00 61.81 2jx8 s PRO 36 Cb -1.33 -1.87 -0.07 0.00 0.04 0.00 0.00 34.50 31.27 2jx8 s PRO 36 CO 0.67 -2.20 -0.09 0.08 0.04 0.00 0.00 177.00 175.50 2jx8 s VAL 37 N -3.80 2.19 0.05 -0.36 1.01 -1.26 -4.99 120.40 113.24 2jx8 s VAL 37 Ca 0.71 -2.19 -0.27 0.00 0.00 0.00 0.00 61.98 60.24 2jx8 s VAL 37 Cb -0.06 -2.66 0.08 0.00 0.00 0.00 0.00 36.38 33.74 2jx8 s VAL 37 CO 0.52 -0.19 0.71 -0.22 0.00 0.00 0.00 175.10 175.92 2jx8 s LEU 38 N -3.61 -0.53 0.00 3.92 2.96 -1.26 -4.99 118.68 115.17 2jx8 s LEU 38 Ca 0.33 0.19 0.00 0.00 -0.22 0.00 0.00 54.13 54.43 2jx8 s LEU 38 Cb 0.03 2.41 0.00 0.00 0.50 0.00 0.00 46.19 49.13 2jx8 s LEU 38 CO 0.16 -0.77 0.00 0.61 -1.32 0.00 0.00 176.35 175.03 2jx8 n GLY 39 N 0.02 2.58 2.50 7.98 0.00 -1.26 -5.01 105.19 112.00 2jx8 n GLY 39 Ca -0.15 -0.33 -0.22 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.99 0.00 1.61 6.02 -1.26 -4.98 117.38 115.77 2jx8 n GLN 40 Ca 0.00 -1.22 0.03 0.00 -0.01 0.00 0.00 57.00 55.80 2jx8 n GLN 40 Cb 0.00 -1.25 -0.00 0.00 1.02 0.00 0.00 30.24 30.01 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 -4.46 0.00 -2.38 1.08 -0.00 -1.26 -5.03 115.22 103.17 2jx8 n HIS 41 Ca 0.11 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.29 2jx8 n HIS 41 Cb 0.43 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.30 2jx8 n HIS 41 CO 0.00 0.00 0.00 -3.47 0.46 0.00 0.00 176.34 173.33 2jx8 n ASP 42 N -0.33 0.84 -4.38 0.26 2.03 -1.26 -5.14 116.55 108.58 2jx8 n ASP 42 Ca 0.03 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 55.03 2jx8 n ASP 42 Cb 0.13 0.00 -0.14 0.00 -0.72 0.00 0.00 41.12 40.39 2jx8 n ASP 42 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2jx8 s VAL 43 N 1.62 2.31 -0.30 5.18 1.01 -1.26 -5.02 120.40 123.94 2jx8 s VAL 43 Ca 0.00 -1.41 -0.03 0.00 0.00 0.00 0.00 61.98 60.53 2jx8 s VAL 43 Cb 0.00 -1.94 0.02 0.00 0.00 0.00 0.00 36.38 34.46 2jx8 s VAL 43 CO 0.00 0.31 2.75 -0.38 0.00 0.00 0.00 175.10 177.78 2jx8 n ILE 44 N 1.56 3.06 -2.50 2.22 5.41 -1.26 -4.87 119.36 122.98 2jx8 n ILE 44 Ca -0.17 -2.25 -0.03 0.00 1.00 0.00 0.00 62.75 61.30 2jx8 n ILE 44 Cb 0.52 -1.62 -0.03 0.00 -0.71 0.00 0.00 39.64 37.80 2jx8 n ILE 44 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 2jx8 n SER 45 N 1.15 -4.51 -4.58 4.38 7.64 -1.26 -4.89 113.62 111.55 2jx8 n SER 45 Ca 0.41 1.58 -0.33 0.00 1.01 0.00 0.00 58.87 61.54 2jx8 n SER 45 Cb 0.63 -5.15 0.14 0.00 -1.01 0.00 0.00 64.21 58.82 2jx8 n SER 45 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2jx8 n ASP 46 N 1.81 -0.35 0.00 6.43 9.92 -1.26 -5.32 116.55 127.78 2jx8 n ASP 46 Ca -0.23 0.44 0.11 0.00 -0.53 0.00 0.00 54.79 54.58 2jx8 n ASP 46 Cb 0.36 -1.39 0.63 0.00 -0.64 0.00 0.00 41.12 40.08 2jx8 n ASP 46 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52