#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jn0 n TYR 5 N 0.00 0.00 -3.53 -0.67 4.11 -1.26 -4.30 117.16 111.51 2jn0 n TYR 5 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 57.90 57.72 2jn0 n TYR 5 Cb 0.00 0.01 -0.13 0.00 -0.00 0.00 0.00 39.34 39.21 2jn0 n TYR 5 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.86 176.94 2jn0 s VAL 6 N 0.00 -0.33 -0.34 -3.48 1.01 -1.26 -2.45 120.40 113.55 2jn0 s VAL 6 Ca 0.00 -0.03 -0.14 0.00 0.00 0.00 0.00 61.98 61.81 2jn0 s VAL 6 Cb 0.00 -0.62 -0.01 0.00 0.00 0.00 0.00 36.38 35.75 2jn0 s VAL 6 CO 0.00 -0.14 0.31 -0.32 0.00 0.00 0.00 175.10 174.95 2jn0 s MET 7 N 2.33 3.55 -0.43 2.72 1.75 0.66 -4.02 119.30 125.85 2jn0 s MET 7 Ca 0.06 -0.50 -0.16 0.00 -1.25 0.00 0.00 55.69 53.84 2jn0 s MET 7 Cb -0.15 -3.80 0.03 0.00 2.84 0.00 0.00 34.83 33.75 2jn0 s MET 7 CO -0.11 -0.49 0.38 0.00 -0.65 0.00 0.00 175.02 174.15 2jn0 s ALA 8 N 1.90 3.47 0.85 4.11 0.00 0.06 -0.47 121.76 131.68 2jn0 s ALA 8 Ca 0.10 -1.72 -0.08 0.00 0.00 0.00 0.00 51.96 50.26 2jn0 s ALA 8 Cb -0.17 -3.01 0.17 0.00 0.00 0.00 0.00 23.12 20.12 2jn0 s ALA 8 CO 0.11 -1.59 1.11 0.25 0.00 0.00 0.00 175.76 175.64 2jn0 n THR 9 N 5.29 0.00 -0.29 0.00 -2.24 -1.13 -0.02 114.28 115.89 2jn0 n THR 9 Ca -0.10 -1.24 -0.06 0.00 -2.27 0.00 0.00 64.05 60.38 2jn0 n THR 9 Cb 0.46 -1.20 0.06 0.00 -2.10 0.00 0.00 70.33 67.56 2jn0 n THR 9 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2jn0 h LYS 10 N 0.00 1.15 -0.88 -0.78 3.64 -0.48 -2.68 116.57 116.53 2jn0 h LYS 10 Ca -0.36 -0.19 0.03 0.00 -1.27 0.00 0.00 60.65 58.86 2jn0 h LYS 10 Cb 1.16 -0.20 -0.05 0.00 -0.41 0.00 0.00 32.23 32.73 2jn0 h LYS 10 CO 0.32 0.91 0.58 0.22 -2.27 0.00 0.00 179.45 179.20 2jn0 h ASP 11 N 1.12 0.94 0.00 4.20 3.58 -1.94 -3.46 116.42 120.86 2jn0 h ASP 11 Ca 0.26 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.70 2jn0 h ASP 11 Cb 0.17 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.00 2jn0 h ASP 11 CO -0.03 0.65 0.00 0.61 -2.88 0.00 0.00 179.24 177.59 2jn0 n GLY 12 N -1.40 0.81 3.74 -0.78 0.00 -1.01 -5.08 105.19 101.46 2jn0 n GLY 12 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 2jn0 n GLY 12 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2jn0 s ARG 13 N -0.44 4.37 -0.60 1.61 1.70 -1.26 -4.79 118.95 119.54 2jn0 s ARG 13 Ca 0.00 2.09 -0.19 0.00 -0.47 0.00 0.00 55.73 57.16 2jn0 s ARG 13 Cb 0.00 -3.18 0.10 0.00 -0.57 0.00 0.00 34.95 31.30 2jn0 s ARG 13 CO 0.00 -0.27 0.74 1.41 -1.08 0.00 0.00 175.30 176.10 2jn0 s MET 14 N -0.22 3.05 -0.27 3.89 1.75 -1.26 -2.83 119.30 123.42 2jn0 s MET 14 Ca 0.57 -1.24 -0.23 0.00 -1.25 0.00 0.00 55.69 53.54 2jn0 s MET 14 Cb -0.37 -4.26 -0.01 0.00 2.84 0.00 0.00 34.83 33.03 2jn0 s MET 14 CO 0.39 -1.58 0.76 0.42 -0.65 0.00 0.00 175.02 174.36 2jn0 s ILE 15 N 2.90 4.86 -0.97 10.11 1.01 0.38 -4.90 121.20 134.60 2jn0 s ILE 15 Ca 0.13 1.32 -0.24 0.00 0.00 0.00 0.00 60.65 61.86 2jn0 s ILE 15 Cb -0.23 -4.07 0.03 0.00 0.01 0.00 0.00 42.46 38.20 2jn0 s ILE 15 CO 0.07 -0.10 1.54 -0.76 0.00 0.00 0.00 174.94 175.68 2jn0 s LEU 16 N 2.78 3.41 0.01 2.97 2.01 -1.26 -0.25 118.68 128.35 2jn0 s LEU 16 Ca 0.32 -1.19 -0.22 0.00 0.01 0.00 0.00 54.13 53.04 2jn0 s LEU 16 Cb -0.15 -2.57 -0.05 0.00 0.01 0.00 0.00 46.19 43.43 2jn0 s LEU 16 CO 0.09 -1.78 0.66 0.42 1.01 0.00 0.00 176.35 176.75 2jn0 s THR 17 N 6.06 4.85 0.27 5.49 -4.23 -1.03 -1.12 115.64 125.94 2jn0 s THR 17 Ca 0.50 1.39 -0.01 0.00 -1.18 0.00 0.00 61.69 62.40 2jn0 s THR 17 Cb -0.02 -4.00 0.28 0.00 1.34 0.00 0.00 72.50 70.09 2jn0 s THR 17 CO -0.06 0.39 1.87 -0.78 -0.54 0.00 0.00 174.62 175.50 2jn0 h ASP 18 N 5.71 1.00 -0.23 3.99 3.58 -0.23 -3.37 116.42 126.87 2jn0 h ASP 18 Ca -0.44 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.03 2jn0 h ASP 18 Cb 1.20 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 42.07 2jn0 h ASP 18 CO 0.70 0.60 0.00 0.61 -2.88 0.00 0.00 179.24 178.27 2jn0 n GLY 19 N -1.36 4.12 1.53 -0.78 0.00 -1.26 -4.77 105.19 102.67 2jn0 n GLY 19 Ca 0.17 -0.48 -0.00 0.00 0.00 0.00 0.00 46.02 45.71 2jn0 n GLY 19 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2jn0 n LYS 20 N -1.24 -0.11 -2.43 1.61 4.81 -1.26 -4.80 118.16 114.75 2jn0 n LYS 20 Ca 0.00 0.57 -0.42 0.00 -0.87 0.00 0.00 58.31 57.59 2jn0 n LYS 20 Cb 0.00 -1.11 -0.03 0.00 0.02 0.00 0.00 35.03 33.91 2jn0 n LYS 20 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 2jn0 s PRO 21 N -0.56 4.37 -0.74 1.64 0.02 -1.26 -4.68 135.00 133.79 2jn0 s PRO 21 Ca -0.00 1.73 -0.23 0.00 0.02 0.00 0.00 61.00 62.51 2jn0 s PRO 21 Cb 0.00 -3.49 0.07 0.00 0.02 0.00 0.00 34.50 31.10 2jn0 s PRO 21 CO 0.02 -0.39 1.10 -2.00 -0.33 0.00 0.00 177.00 175.40 2jn0 s GLU 22 N 1.84 3.23 -0.33 5.54 2.56 0.13 -4.87 118.70 126.81 2jn0 s GLU 22 Ca 0.58 -0.83 -0.20 0.00 0.00 0.00 0.00 54.97 54.52 2jn0 s GLU 22 Cb -0.27 -4.39 -0.01 0.00 2.00 0.00 0.00 34.13 31.46 2jn0 s GLU 22 CO 0.25 -1.93 0.60 0.42 -0.56 0.00 0.00 175.26 174.04 2jn0 s ILE 23 N 4.38 4.95 -0.62 -3.70 1.01 -1.26 0.10 121.20 126.06 2jn0 s ILE 23 Ca 0.28 0.67 -0.22 0.00 0.00 0.00 0.00 60.65 61.39 2jn0 s ILE 23 Cb -0.12 -4.00 0.07 0.00 0.01 0.00 0.00 42.46 38.42 2jn0 s ILE 23 CO 0.07 -0.19 0.89 -1.81 0.00 0.00 0.00 174.94 173.90 2jn0 s ASP 24 N 1.70 6.20 0.29 3.58 1.01 0.13 -4.91 116.67 124.68 2jn0 s ASP 24 Ca 0.23 -0.96 0.13 0.00 0.71 0.00 0.00 52.55 52.66 2jn0 s ASP 24 Cb -0.15 -2.39 0.41 0.00 1.01 0.00 0.00 42.92 41.80 2jn0 s ASP 24 CO 0.13 -1.31 1.62 -0.78 0.21 0.00 0.00 175.17 175.05 2jn0 h ASP 25 N 9.41 0.00 -0.21 0.27 3.58 -1.95 0.16 116.42 127.68 2jn0 h ASP 25 Ca -0.28 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.12 2jn0 h ASP 25 Cb 1.08 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.12 2jn0 h ASP 25 CO 1.13 0.57 -0.05 0.44 -2.88 0.00 0.00 179.24 178.45 2jn0 h ASP 26 N 0.00 0.42 0.52 2.28 3.32 -1.95 -3.24 116.42 117.75 2jn0 h ASP 26 Ca -0.01 -0.37 0.00 0.00 0.02 0.00 0.00 57.03 56.68 2jn0 h ASP 26 Cb 1.08 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.52 2jn0 h ASP 26 CO 0.07 0.69 -1.27 1.07 -1.72 0.00 0.00 179.24 178.08 2jn0 n THR 27 N -4.60 0.28 -1.75 0.35 5.66 -1.19 -4.98 114.28 108.04 2jn0 n THR 27 Ca -0.04 -0.42 0.00 0.00 -3.05 0.00 0.00 64.05 60.54 2jn0 n THR 27 Cb 0.28 -0.03 0.00 0.00 -1.55 0.00 0.00 70.33 69.03 2jn0 n THR 27 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2jn0 n GLY 28 N 1.27 0.63 3.58 1.09 0.00 0.52 -4.99 105.19 107.30 2jn0 n GLY 28 Ca -0.00 -0.75 -0.34 0.00 0.00 0.00 0.00 46.02 44.93 2jn0 n GLY 28 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jn0 s LEU 29 N -0.07 3.32 -0.35 0.99 1.43 -0.84 -0.66 118.68 122.50 2jn0 s LEU 29 Ca 0.00 -0.01 -0.02 0.00 -1.03 0.00 0.00 54.13 53.07 2jn0 s LEU 29 Cb 0.00 -1.76 0.08 0.00 0.03 0.00 0.00 46.19 44.54 2jn0 s LEU 29 CO 0.00 0.30 0.09 -0.69 0.23 0.00 0.00 176.35 176.28 2jn0 s VAL 30 N -0.45 3.09 -0.66 -1.59 1.01 0.78 0.23 120.40 122.81 2jn0 s VAL 30 Ca 0.07 -1.70 -0.25 0.00 0.00 0.00 0.00 61.98 60.10 2jn0 s VAL 30 Cb -0.12 -2.94 0.05 0.00 0.00 0.00 0.00 36.38 33.36 2jn0 s VAL 30 CO 0.02 -0.37 1.08 -0.55 0.00 0.00 0.00 175.10 175.28 2jn0 s SER 31 N 1.46 6.23 0.52 3.32 0.15 0.11 -0.28 113.70 125.21 2jn0 s SER 31 Ca 0.01 -0.59 0.06 0.00 0.70 0.00 0.00 55.95 56.12 2jn0 s SER 31 Cb -0.21 -2.48 0.05 0.00 -1.71 0.00 0.00 66.02 61.67 2jn0 s SER 31 CO -0.03 -1.53 0.72 -0.72 1.20 0.00 0.00 173.24 172.88 2jn0 s TYR 32 N 4.66 2.38 -0.17 3.44 1.13 0.75 0.23 117.35 129.76 2jn0 s TYR 32 Ca 0.30 -0.36 -0.01 0.00 -1.41 0.00 0.00 57.07 55.59 2jn0 s TYR 32 Cb -0.12 -2.51 0.04 0.00 -1.10 0.00 0.00 41.96 38.27 2jn0 s TYR 32 CO 0.15 -0.84 -0.04 -1.01 -2.51 0.00 0.00 175.55 171.29 2jn0 s HIS 33 N -2.61 1.67 0.92 -3.49 3.76 -1.25 -1.49 115.29 112.79 2jn0 s HIS 33 Ca 0.58 -1.10 -0.10 0.00 -0.15 0.00 0.00 55.06 54.29 2jn0 s HIS 33 Cb -0.09 -1.30 0.15 0.00 1.11 0.00 0.00 32.58 32.46 2jn0 s HIS 33 CO 0.37 -0.62 1.14 -0.51 -0.85 0.00 0.00 174.74 174.26 2jn0 s ASP 34 N 1.64 2.88 0.53 1.40 1.01 0.83 0.35 116.67 125.31 2jn0 s ASP 34 Ca -0.00 2.13 0.21 0.00 0.71 0.00 0.00 52.55 55.61 2jn0 s ASP 34 Cb -0.16 -2.55 1.42 0.00 1.01 0.00 0.00 42.92 42.64 2jn0 s ASP 34 CO -0.07 -3.12 2.15 0.06 0.21 0.00 0.00 175.17 174.39 2jn0 h GLN 35 N -1.88 0.00 0.00 8.23 3.07 -1.44 -0.10 115.11 122.98 2jn0 h GLN 35 Ca -0.44 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.30 2jn0 h GLN 35 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.83 2jn0 h GLN 35 CO 0.42 0.04 0.00 0.37 0.09 0.00 0.00 178.83 179.76 2jn0 h GLN 36 N 0.00 0.00 0.00 0.06 5.75 -1.90 -3.47 115.11 115.55 2jn0 h GLN 36 Ca -0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2jn0 h GLN 36 Cb 0.09 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.64 2jn0 h GLN 36 CO 0.01 0.00 0.00 0.41 -2.65 0.00 0.00 178.83 176.60 2jn0 n GLY 37 N 0.33 1.04 3.62 2.39 0.00 -0.05 -5.06 105.19 107.46 2jn0 n GLY 37 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 2jn0 n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2jn0 s ASN 38 N -2.00 6.81 -0.89 1.61 0.01 -1.25 -4.76 114.94 114.48 2jn0 s ASN 38 Ca 0.00 0.83 -0.19 0.00 -0.71 0.00 0.00 52.86 52.78 2jn0 s ASN 38 Cb 0.00 -2.51 0.12 0.00 0.41 0.00 0.00 41.25 39.27 2jn0 s ASN 38 CO 0.00 -0.90 1.09 0.00 -1.51 0.00 0.00 177.10 175.78 2jn0 s ALA 39 N 3.65 3.35 0.50 0.60 0.00 -1.26 -0.12 121.76 128.48 2jn0 s ALA 39 Ca 0.43 -2.65 0.04 0.00 0.00 0.00 0.00 51.96 49.78 2jn0 s ALA 39 Cb -0.12 -4.00 -0.01 0.00 0.00 0.00 0.00 23.12 18.99 2jn0 s ALA 39 CO 0.18 -2.93 0.17 -1.64 0.00 0.00 0.00 175.76 171.55 2jn0 s MET 40 N 2.81 2.21 -0.09 0.00 -1.94 -0.56 -4.92 119.30 116.81 2jn0 s MET 40 Ca 0.31 -2.14 -0.00 0.00 -1.71 0.00 0.00 55.69 52.14 2jn0 s MET 40 Cb -0.07 -1.82 0.02 0.00 2.01 0.00 0.00 34.83 34.98 2jn0 s MET 40 CO -0.07 -0.38 -0.05 -0.65 -0.01 0.00 0.00 175.02 173.86 2jn0 s GLN 41 N -4.01 1.18 0.53 2.03 -0.21 -1.26 -0.18 119.66 117.74 2jn0 s GLN 41 Ca 0.24 -0.14 0.09 0.00 0.02 0.00 0.00 55.36 55.57 2jn0 s GLN 41 Cb 0.01 -1.30 0.09 0.00 1.00 0.00 0.00 33.01 32.81 2jn0 s GLN 41 CO 0.14 -0.23 0.72 0.44 -2.12 0.00 0.00 175.29 174.23 2jn0 n ILE 42 N 4.82 0.00 -3.26 1.08 -5.35 0.61 -4.85 119.36 112.41 2jn0 n ILE 42 Ca -0.13 -1.78 -0.35 0.00 -0.27 0.00 0.00 62.75 60.22 2jn0 n ILE 42 Cb 0.50 -0.54 -0.06 0.00 -1.74 0.00 0.00 39.64 37.80 2jn0 n ILE 42 CO 0.00 0.00 0.00 0.20 -1.76 0.00 0.00 176.55 174.99 2jn0 s ASN 43 N -4.28 6.88 0.51 7.28 0.02 -1.26 -0.16 114.94 123.94 2jn0 s ASN 43 Ca 0.55 1.19 0.34 0.00 -1.02 0.00 0.00 52.86 53.92 2jn0 s ASN 43 Cb -0.04 -2.33 1.70 0.00 0.02 0.00 0.00 41.25 40.59 2jn0 s ASN 43 CO 0.35 0.05 2.04 -0.09 0.02 0.00 0.00 177.10 179.46 2jn0 h ARG 44 N 3.35 0.00 0.00 -0.60 1.12 -1.20 -0.56 114.38 116.49 2jn0 h ARG 44 Ca -0.48 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.39 2jn0 h ARG 44 Cb 1.19 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.15 2jn0 h ARG 44 CO 0.66 0.00 -0.64 0.22 -3.11 0.00 0.00 179.97 177.10 2jn0 h ASP 45 N 0.00 0.00 0.36 -3.80 3.58 -1.93 -3.35 116.42 111.28 2jn0 h ASP 45 Ca 0.00 -0.17 -0.32 0.00 0.42 0.00 0.00 57.03 56.96 2jn0 h ASP 45 Cb 0.20 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.20 2jn0 h ASP 45 CO 0.00 0.09 -1.86 -0.67 -2.88 0.00 0.00 179.24 173.92 2jn0 n ASP 46 N -2.22 1.04 -4.77 2.28 2.03 -0.24 -4.87 116.55 109.79 2jn0 n ASP 46 Ca 0.03 0.32 -0.38 0.00 0.52 0.00 0.00 54.79 55.28 2jn0 n ASP 46 Cb 0.46 -0.10 -0.02 0.00 -0.72 0.00 0.00 41.12 40.73 2jn0 n ASP 46 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2jn0 s VAL 47 N -2.58 3.19 0.09 5.18 0.11 -1.04 0.23 120.40 125.58 2jn0 s VAL 47 Ca -0.09 0.98 0.00 0.00 -2.93 0.00 0.00 61.98 59.93 2jn0 s VAL 47 Cb 0.08 -3.53 0.00 0.00 -1.53 0.00 0.00 36.38 31.39 2jn0 s VAL 47 CO 0.81 0.07 0.00 -0.24 -3.33 0.00 0.00 175.10 172.40 2jn0 n SER 48 N -0.03 -0.00 -4.24 3.54 2.88 -1.22 -4.64 113.62 109.91 2jn0 n SER 48 Ca 0.05 0.15 -0.34 0.00 -1.33 0.00 0.00 58.87 57.39 2jn0 n SER 48 Cb 0.47 0.10 -0.15 0.00 -0.75 0.00 0.00 64.21 63.89 2jn0 n SER 48 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 2jn0 s GLN 49 N -1.32 3.14 0.30 -1.46 -1.52 0.96 -5.03 119.66 114.74 2jn0 s GLN 49 Ca 0.00 -0.77 0.07 0.00 -1.95 0.00 0.00 55.36 52.71 2jn0 s GLN 49 Cb 0.00 -2.91 -0.03 0.00 -0.22 0.00 0.00 33.01 29.86 2jn0 s GLN 49 CO 0.00 -0.26 0.30 0.42 -0.25 0.00 0.00 175.29 175.50 2jn0 s ILE 50 N 1.40 4.16 -1.40 1.08 -1.09 -1.26 -0.77 121.20 123.32 2jn0 s ILE 50 Ca 0.04 -1.26 -0.11 0.00 -2.23 0.00 0.00 60.65 57.09 2jn0 s ILE 50 Cb -0.15 -3.39 0.08 0.00 -1.58 0.00 0.00 42.46 37.42 2jn0 s ILE 50 CO -0.06 -0.25 2.20 -0.38 -1.23 0.00 0.00 174.94 175.22 2jn0 n ILE 51 N -1.36 4.01 -0.30 2.92 5.41 -1.26 -4.72 119.36 124.06 2jn0 n ILE 51 Ca -0.04 -3.57 -0.05 0.00 1.00 0.00 0.00 62.75 60.09 2jn0 n ILE 51 Cb 0.58 -2.48 0.07 0.00 -0.71 0.00 0.00 39.64 37.11 2jn0 n ILE 51 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 2jn0 h GLU 52 N 5.68 1.16 -0.02 0.38 3.07 -1.96 -3.43 114.58 119.48 2jn0 h GLU 52 Ca 0.55 -0.16 0.00 0.00 -0.50 0.00 0.00 59.36 59.25 2jn0 h GLU 52 Cb 0.57 -0.21 0.00 0.00 -0.84 0.00 0.00 28.75 28.26 2jn0 h GLU 52 CO 1.75 0.88 0.00 -2.13 -1.40 0.00 0.00 179.01 178.12