#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jr3 s ASP 2 N 0.00 -0.61 0.66 1.67 2.15 -1.26 -5.10 116.67 114.19 2jr3 s ASP 2 Ca 0.00 1.14 -0.11 0.00 0.43 0.00 0.00 52.55 54.01 2jr3 s ASP 2 Cb 0.00 1.13 -0.01 0.00 -0.30 0.00 0.00 42.92 43.74 2jr3 s ASP 2 CO 0.00 -0.20 1.05 0.42 -0.17 0.00 0.00 175.17 176.27 2jr3 s THR 3 N 0.49 4.27 0.61 1.71 -4.23 -1.26 -5.06 115.64 112.17 2jr3 s THR 3 Ca -0.02 0.76 -0.10 0.00 -1.18 0.00 0.00 61.69 61.15 2jr3 s THR 3 Cb -0.04 -3.57 0.15 0.00 1.34 0.00 0.00 72.50 70.38 2jr3 s THR 3 CO -0.02 -0.94 0.55 -0.81 -0.54 0.00 0.00 174.62 172.85 2jr3 n PRO 4 N -2.91 -2.08 -1.53 3.99 -0.04 -1.26 -4.86 135.00 126.30 2jr3 n PRO 4 Ca 0.07 -0.87 -0.40 0.00 -0.04 0.00 0.00 63.50 62.25 2jr3 n PRO 4 Cb 0.54 -0.82 -0.02 0.00 -0.04 0.00 0.00 33.50 33.16 2jr3 n PRO 4 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2jr3 n SER 5 N -3.93 6.82 -1.54 3.54 7.64 -1.26 -4.90 113.62 119.99 2jr3 n SER 5 Ca 0.08 -2.71 0.00 0.00 1.01 0.00 0.00 58.87 57.24 2jr3 n SER 5 Cb 0.29 -1.59 0.00 0.00 -1.01 0.00 0.00 64.21 61.91 2jr3 n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2jr3 n SER 6 N 4.43 0.00 -3.63 6.43 2.88 -1.26 -5.15 113.62 117.33 2jr3 n SER 6 Ca 0.67 -0.70 -0.03 0.00 -1.33 0.00 0.00 58.87 57.48 2jr3 n SER 6 Cb 0.29 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.74 2jr3 n SER 6 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jr3 s ARG 7 N -0.74 0.69 0.02 -1.46 1.70 -1.26 -4.72 118.95 113.18 2jr3 s ARG 7 Ca 0.00 -0.34 -0.30 0.00 -0.47 0.00 0.00 55.73 54.62 2jr3 s ARG 7 Cb 0.00 0.26 -0.07 0.00 -0.57 0.00 0.00 34.95 34.57 2jr3 s ARG 7 CO 0.00 -0.31 1.69 0.00 -1.08 0.00 0.00 175.30 175.60 2jr3 n GLY 9 N 4.11 0.81 0.00 0.00 0.00 0.88 -4.83 105.19 106.16 2jr3 n GLY 9 Ca 0.17 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.61 2jr3 n GLY 9 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2jr3 n SER 10 N 0.69 2.30 0.00 1.61 7.64 -1.14 -5.06 113.62 119.67 2jr3 n SER 10 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2jr3 n SER 10 Cb 0.46 0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 2jr3 n SER 10 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jr3 n GLY 11 N 2.44 -0.12 0.12 0.23 0.00 -1.26 -4.99 105.19 101.61 2jr3 n GLY 11 Ca 0.00 0.13 0.08 0.00 0.00 0.00 0.00 46.02 46.23 2jr3 n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jr3 n GLY 12 N 0.16 -0.40 3.69 -0.02 0.00 -1.26 -4.81 105.19 102.54 2jr3 n GLY 12 Ca 0.00 -0.48 -0.40 0.00 0.00 0.00 0.00 46.02 45.14 2jr3 n GLY 12 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2jr3 s TRP 13 N -2.40 3.47 0.00 1.61 0.52 -1.26 -0.18 118.94 120.70 2jr3 s TRP 13 Ca 0.09 1.19 0.00 0.00 0.02 0.00 0.00 56.10 57.40 2jr3 s TRP 13 Cb 0.13 -2.89 0.00 0.00 -1.15 0.00 0.00 33.47 29.56 2jr3 s TRP 13 CO 0.61 -0.10 0.00 0.41 0.02 0.00 0.00 176.95 177.89 2jr3 n GLY 14 N 3.39 -3.65 0.17 0.98 0.00 -1.25 -0.08 105.19 104.74 2jr3 n GLY 14 Ca 0.01 -1.23 -0.12 0.00 0.00 0.00 0.00 46.02 44.68 2jr3 n GLY 14 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jr3 h PRO 15 N 0.00 -0.30 -0.82 1.61 0.13 -1.96 0.53 132.00 131.18 2jr3 h PRO 15 Ca 0.00 0.02 0.20 0.00 -0.87 0.00 0.00 66.00 65.35 2jr3 h PRO 15 Cb 0.00 0.07 -0.28 0.00 0.13 0.00 0.00 31.00 30.92 2jr3 h PRO 15 CO 0.00 0.07 0.50 0.00 -0.23 0.00 0.00 178.00 178.33 2jr3 s LEU 17 N 1.74 2.05 0.02 0.00 2.96 0.14 -4.97 118.68 120.61 2jr3 s LEU 17 Ca -0.04 -0.33 -0.30 0.00 -0.22 0.00 0.00 54.13 53.24 2jr3 s LEU 17 Cb -0.03 -0.85 -0.06 0.00 0.50 0.00 0.00 46.19 45.75 2jr3 s LEU 17 CO -0.14 0.19 1.43 -2.16 -1.32 0.00 0.00 176.35 174.35 2jr3 s PRO 18 N -0.49 4.28 0.64 0.98 0.04 -1.26 0.83 135.00 140.01 2jr3 s PRO 18 Ca 0.06 2.02 0.40 0.00 0.04 0.00 0.00 61.00 63.52 2jr3 s PRO 18 Cb -0.07 -3.55 2.16 0.00 0.04 0.00 0.00 34.50 33.09 2jr3 s PRO 18 CO -0.00 -0.58 2.22 0.82 0.04 0.00 0.00 177.00 179.49 2jr3 h ILE 19 N 4.85 0.00 -0.07 0.56 2.04 -1.86 -1.06 117.51 121.96 2jr3 h ILE 19 Ca -0.39 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.49 2jr3 h ILE 19 Cb 1.18 0.88 -0.00 0.00 -0.74 0.00 0.00 36.82 38.14 2jr3 h ILE 19 CO 0.90 0.00 0.10 1.62 0.00 0.00 0.00 178.15 180.77 2jr3 h VAL 20 N 0.00 0.40 -0.01 1.67 3.04 -1.90 -0.69 116.25 118.76 2jr3 h VAL 20 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 2jr3 h VAL 20 Cb 0.17 0.91 0.00 0.00 -2.01 0.00 0.00 31.29 30.36 2jr3 h VAL 20 CO 0.00 0.00 -0.10 -0.67 -1.01 0.00 0.00 177.57 175.79 2jr3 n ASP 21 N -3.66 1.32 -4.25 3.17 2.03 -0.41 -5.05 116.55 109.70 2jr3 n ASP 21 Ca -0.01 -1.16 -0.36 0.00 0.52 0.00 0.00 54.79 53.78 2jr3 n ASP 21 Cb 0.20 0.29 0.06 0.00 -0.72 0.00 0.00 41.12 40.95 2jr3 n ASP 21 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 2jr3 n LEU 22 N 0.01 -2.62 0.00 -2.67 7.94 -0.27 -4.94 117.00 114.45 2jr3 n LEU 22 Ca 0.04 0.37 0.00 0.00 -1.11 0.00 0.00 56.01 55.31 2jr3 n LEU 22 Cb 0.19 -1.00 0.00 0.00 0.53 0.00 0.00 43.42 43.14 2jr3 n LEU 22 CO 0.08 -4.58 -0.03 -0.11 -1.11 0.00 0.00 177.39 171.64 2jr3 n LEU 23 N 1.20 0.00 -5.00 -1.96 0.00 -1.26 -5.06 117.00 104.92 2jr3 n LEU 23 Ca 0.04 -0.03 -0.21 0.00 0.00 0.00 0.00 56.01 55.82 2jr3 n LEU 23 Cb 0.53 0.00 0.04 0.00 0.00 0.00 0.00 43.42 43.98 2jr3 n LEU 23 CO 0.52 0.00 0.24 0.00 0.00 0.00 0.00 177.39 178.15 2jr3 n ILE 25 N -2.06 0.00 0.42 0.00 5.41 -1.26 -4.72 119.36 117.15 2jr3 n ILE 25 Ca 0.11 0.00 0.05 0.00 1.00 0.00 0.00 62.75 63.90 2jr3 n ILE 25 Cb 0.62 -0.46 0.19 0.00 -0.71 0.00 0.00 39.64 39.27 2jr3 n ILE 25 CO 0.00 0.00 0.00 0.55 0.00 0.00 0.00 176.55 177.10 2jr3 n VAL 26 N -1.98 0.96 -0.07 1.39 3.14 -1.26 -4.93 118.33 115.58 2jr3 n VAL 26 Ca 0.00 -0.61 -0.06 0.00 -2.96 0.00 0.00 64.34 60.71 2jr3 n VAL 26 Cb 0.35 -0.08 0.06 0.00 -1.06 0.00 0.00 33.84 33.11 2jr3 n VAL 26 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2jr3 n HIS 27 N 0.45 -2.11 -5.14 1.45 1.44 -1.26 -4.70 115.22 105.36 2jr3 n HIS 27 Ca 0.13 -0.14 -0.29 0.00 -2.01 0.00 0.00 57.72 55.41 2jr3 n HIS 27 Cb 0.53 -0.29 -0.16 0.00 0.12 0.00 0.00 29.99 30.19 2jr3 n HIS 27 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 2jr3 s VAL 28 N -1.14 1.85 -0.31 0.61 1.01 -0.03 -4.95 120.40 117.44 2jr3 s VAL 28 Ca 0.13 -1.02 0.15 0.00 0.00 0.00 0.00 61.98 61.24 2jr3 s VAL 28 Cb -0.02 -1.54 0.47 0.00 0.00 0.00 0.00 36.38 35.29 2jr3 s VAL 28 CO 0.11 0.50 1.10 0.35 0.00 0.00 0.00 175.10 177.16 2jr3 n THR 29 N 2.45 1.71 -4.53 3.92 -2.24 -1.26 0.14 114.28 114.47 2jr3 n THR 29 Ca -0.16 -3.59 -0.34 0.00 -2.27 0.00 0.00 64.05 57.70 2jr3 n THR 29 Cb 0.52 0.15 -0.11 0.00 -2.10 0.00 0.00 70.33 68.80 2jr3 n THR 29 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2jr3 s VAL 30 N -4.13 3.93 0.00 2.28 1.01 -1.26 -4.44 120.40 117.79 2jr3 s VAL 30 Ca 0.36 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 61.95 2jr3 s VAL 30 Cb 0.38 -2.62 0.00 0.00 0.00 0.00 0.00 36.38 34.14 2jr3 s VAL 30 CO -0.02 0.60 0.00 0.61 0.00 0.00 0.00 175.10 176.29 2jr3 n GLY 31 N 2.22 2.12 3.36 4.51 0.00 -1.26 -0.30 105.19 115.84 2jr3 n GLY 31 Ca -0.18 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.67 2jr3 n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jr3 s SER 33 N -4.13 6.73 -0.36 0.00 0.01 -1.26 -4.98 113.70 109.72 2jr3 s SER 33 Ca 0.53 0.98 -0.33 0.00 1.31 0.00 0.00 55.95 58.44 2jr3 s SER 33 Cb -0.04 -2.25 -0.10 0.00 0.21 0.00 0.00 66.02 63.83 2jr3 s SER 33 CO 0.34 0.05 2.23 0.61 0.41 0.00 0.00 173.24 176.87 2jr3 n GLY 34 N 0.48 0.52 0.00 3.44 0.00 -1.26 -0.77 105.19 107.60 2jr3 n GLY 34 Ca -0.04 0.90 0.00 0.00 0.00 0.00 0.00 46.02 46.88 2jr3 n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jr3 n GLY 35 N 6.39 1.36 2.97 -0.02 0.00 -1.26 -5.10 105.19 109.54 2jr3 n GLY 35 Ca 0.40 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.19 2jr3 n GLY 35 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2jr3 s PHE 36 N -2.00 1.19 0.06 1.61 0.40 0.05 -3.30 117.98 115.99 2jr3 s PHE 36 Ca 0.00 -0.42 0.00 0.00 -0.60 0.00 0.00 56.93 55.91 2jr3 s PHE 36 Cb 0.00 -0.92 -0.00 0.00 0.51 0.00 0.00 43.02 42.61 2jr3 s PHE 36 CO 0.00 -0.25 0.00 0.41 0.70 0.00 0.00 175.22 176.09 2jr3 n GLY 37 N 3.91 4.10 3.05 4.36 0.00 0.24 -4.22 105.19 116.63 2jr3 n GLY 37 Ca -0.24 -2.18 -0.12 0.00 0.00 0.00 0.00 46.02 43.48 2jr3 n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jr3 s ARG 40 N -3.78 3.47 -0.18 0.00 1.81 -1.26 -3.96 118.95 115.05 2jr3 s ARG 40 Ca 0.37 1.87 -0.11 0.00 -1.72 0.00 0.00 55.73 56.14 2jr3 s ARG 40 Cb 0.06 -4.22 -0.08 0.00 -0.45 0.00 0.00 34.95 30.26 2jr3 s ARG 40 CO 0.20 -1.70 -0.26 -0.89 -0.68 0.00 0.00 175.30 171.97 2jr3 n ILE 41 N 7.06 1.16 -0.99 1.52 5.41 0.75 -5.01 119.36 129.26 2jr3 n ILE 41 Ca 0.24 -0.18 0.00 0.00 1.00 0.00 0.00 62.75 63.81 2jr3 n ILE 41 Cb 0.45 -1.84 0.00 0.00 -0.71 0.00 0.00 39.64 37.54 2jr3 n ILE 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16