#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jr3 n ASP 2 N 0.00 0.00 -4.26 -2.24 8.00 -1.26 -5.09 116.55 111.71 2jr3 n ASP 2 Ca 0.00 -0.94 -0.15 0.00 0.71 0.00 0.00 54.79 54.42 2jr3 n ASP 2 Cb 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.00 2jr3 n ASP 2 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2jr3 s THR 3 N -2.54 1.24 0.18 -3.53 -4.23 -1.26 -5.08 115.64 100.42 2jr3 s THR 3 Ca 0.00 -2.04 -0.03 0.00 -1.18 0.00 0.00 61.69 58.43 2jr3 s THR 3 Cb 0.00 -1.83 0.05 0.00 1.34 0.00 0.00 72.50 72.05 2jr3 s THR 3 CO 0.00 -0.71 0.16 -0.81 -0.54 0.00 0.00 174.62 172.73 2jr3 n PRO 4 N -0.15 -1.35 -1.54 3.99 -0.04 -1.26 -4.85 135.00 129.80 2jr3 n PRO 4 Ca -0.10 -0.26 -0.41 0.00 -0.04 0.00 0.00 63.50 62.69 2jr3 n PRO 4 Cb 0.60 -0.24 -0.01 0.00 -0.04 0.00 0.00 33.50 33.81 2jr3 n PRO 4 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2jr3 n SER 5 N -3.28 5.13 -1.31 3.54 2.88 -1.26 -4.88 113.62 114.44 2jr3 n SER 5 Ca 0.02 -2.74 0.00 0.00 -1.33 0.00 0.00 58.87 54.82 2jr3 n SER 5 Cb 0.09 -1.58 0.00 0.00 -0.75 0.00 0.00 64.21 61.97 2jr3 n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2jr3 n SER 6 N 5.46 0.46 0.00 -3.46 2.88 -1.26 -5.12 113.62 112.57 2jr3 n SER 6 Ca 0.59 -0.66 0.00 0.00 -1.33 0.00 0.00 58.87 57.47 2jr3 n SER 6 Cb 0.34 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.80 2jr3 n SER 6 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 2jr3 n ARG 7 N -0.51 0.00 -1.68 -1.46 0.63 -1.26 -4.86 116.66 107.53 2jr3 n ARG 7 Ca 0.00 0.00 -0.52 0.00 -0.92 0.00 0.00 57.85 56.41 2jr3 n ARG 7 Cb 0.00 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 32.85 2jr3 n ARG 7 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2jr3 n GLY 9 N 4.50 0.39 0.00 0.00 0.00 0.11 -4.79 105.19 105.40 2jr3 n GLY 9 Ca 0.26 -0.91 0.01 0.00 0.00 0.00 0.00 46.02 45.38 2jr3 n GLY 9 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2jr3 n SER 10 N 1.73 4.28 0.00 1.61 2.88 0.62 -5.02 113.62 119.72 2jr3 n SER 10 Ca -0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 2jr3 n SER 10 Cb 0.31 1.03 0.00 0.00 -0.75 0.00 0.00 64.21 64.80 2jr3 n SER 10 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jr3 n GLY 11 N 2.42 0.41 0.16 0.46 0.00 -1.25 -4.94 105.19 102.45 2jr3 n GLY 11 Ca -0.01 0.14 0.08 0.00 0.00 0.00 0.00 46.02 46.22 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 0.00 -0.28 3.75 -0.02 0.00 -1.26 -4.96 105.19 102.42 2jr3 n GLY 12 Ca 0.00 -0.45 -0.40 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.22 3.74 0.03 1.61 0.52 -1.26 -2.12 118.94 119.24 2jr3 s TRP 13 Ca 0.09 1.42 -0.01 0.00 0.02 0.00 0.00 56.10 57.62 2jr3 s TRP 13 Cb 0.12 -2.76 0.01 0.00 -1.15 0.00 0.00 33.47 29.69 2jr3 s TRP 13 CO 0.54 0.31 0.02 0.41 0.02 0.00 0.00 176.95 178.25 2jr3 n GLY 14 N 2.34 -3.58 0.16 0.98 0.00 -1.26 -0.08 105.19 103.76 2jr3 n GLY 14 Ca -0.04 -1.18 -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 -0.77 1.61 0.13 -1.96 0.31 132.00 131.02 2jr3 h PRO 15 Ca -0.01 0.02 0.21 0.00 -0.87 0.00 0.00 66.00 65.35 2jr3 h PRO 15 Cb 0.03 0.07 -0.30 0.00 0.13 0.00 0.00 31.00 30.93 2jr3 h PRO 15 CO 0.01 0.07 0.59 0.00 -0.23 0.00 0.00 178.00 178.43 2jr3 s LEU 17 N 1.57 2.04 0.02 0.00 2.96 0.19 -4.98 118.68 120.49 2jr3 s LEU 17 Ca -0.05 -0.32 -0.30 0.00 -0.22 0.00 0.00 54.13 53.24 2jr3 s LEU 17 Cb -0.02 -0.86 -0.06 0.00 0.50 0.00 0.00 46.19 45.74 2jr3 s LEU 17 CO -0.13 0.20 1.44 -2.16 -1.32 0.00 0.00 176.35 174.37 2jr3 s PRO 18 N -0.46 4.27 0.66 0.98 0.04 -1.26 0.77 135.00 140.01 2jr3 s PRO 18 Ca 0.06 2.03 0.38 0.00 0.04 0.00 0.00 61.00 63.52 2jr3 s PRO 18 Cb -0.07 -3.55 2.10 0.00 0.04 0.00 0.00 34.50 33.03 2jr3 s PRO 18 CO -0.00 -0.58 2.20 0.82 0.04 0.00 0.00 177.00 179.47 2jr3 h ILE 19 N 4.84 0.03 -0.05 0.56 2.04 -1.87 -0.74 117.51 122.32 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 0.87 -0.00 0.00 -0.74 0.00 0.00 36.82 38.13 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 0.29 -0.01 1.67 3.04 -1.90 -0.60 116.25 118.75 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 0.27 0.91 0.00 0.00 -2.01 0.00 0.00 31.29 30.46 2jr3 h VAL 20 CO -0.00 0.00 -0.09 -0.67 -1.01 0.00 0.00 177.57 175.80 2jr3 n ASP 21 N -3.50 1.22 -4.26 3.17 2.03 -0.29 -5.05 116.55 109.86 2jr3 n ASP 21 Ca -0.02 -1.11 -0.36 0.00 0.52 0.00 0.00 54.79 53.83 2jr3 n ASP 21 Cb 0.18 0.29 0.06 0.00 -0.72 0.00 0.00 41.12 40.94 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 -0.05 -2.44 0.00 -2.67 7.94 -0.23 -4.94 117.00 114.60 2jr3 n LEU 22 Ca 0.03 0.40 0.00 0.00 -1.11 0.00 0.00 56.01 55.33 2jr3 n LEU 22 Cb 0.16 -1.00 0.00 0.00 0.53 0.00 0.00 43.42 43.10 2jr3 n LEU 22 CO 0.07 -4.49 -0.04 -0.11 -1.11 0.00 0.00 177.39 171.71 2jr3 n LEU 23 N 1.18 0.00 -5.00 -1.96 0.00 -1.26 -5.06 117.00 104.89 2jr3 n LEU 23 Ca 0.05 -0.02 -0.20 0.00 0.00 0.00 0.00 56.01 55.83 2jr3 n LEU 23 Cb 0.52 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 0.25 0.00 0.00 0.00 0.00 177.39 178.16 2jr3 n ILE 25 N -2.07 0.00 0.39 0.00 5.41 -1.26 -4.71 119.36 117.12 2jr3 n ILE 25 Ca 0.11 0.00 0.05 0.00 1.00 0.00 0.00 62.75 63.91 2jr3 n ILE 25 Cb 0.61 -0.51 0.19 0.00 -0.71 0.00 0.00 39.64 39.23 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 -2.04 0.99 -0.06 1.39 3.14 -1.26 -4.93 118.33 115.56 2jr3 n VAL 26 Ca 0.00 -0.62 -0.05 0.00 -2.96 0.00 0.00 64.34 60.71 2jr3 n VAL 26 Cb 0.38 -0.09 0.05 0.00 -1.06 0.00 0.00 33.84 33.12 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 0.46 -2.06 -4.93 1.45 1.44 -1.26 -4.81 115.22 105.51 2jr3 n HIS 27 Ca 0.14 -0.12 -0.28 0.00 -2.01 0.00 0.00 57.72 55.44 2jr3 n HIS 27 Cb 0.54 -0.25 -0.15 0.00 0.12 0.00 0.00 29.99 30.25 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 -1.10 1.86 -0.30 0.61 1.01 0.05 -4.90 120.40 117.62 2jr3 s VAL 28 Ca 0.11 -1.15 0.16 0.00 0.00 0.00 0.00 61.98 61.10 2jr3 s VAL 28 Cb -0.02 -1.58 0.48 0.00 0.00 0.00 0.00 36.38 35.26 2jr3 s VAL 28 CO 0.10 0.38 1.09 0.35 0.00 0.00 0.00 175.10 177.02 2jr3 n THR 29 N 2.12 1.62 -4.52 3.92 -2.24 -1.26 0.25 114.28 114.17 2jr3 n THR 29 Ca -0.16 -3.50 -0.34 0.00 -2.27 0.00 0.00 64.05 57.77 2jr3 n THR 29 Cb 0.52 0.28 -0.11 0.00 -2.10 0.00 0.00 70.33 68.93 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 -4.04 3.94 0.00 2.28 1.01 -1.26 -4.44 120.40 117.89 2jr3 s VAL 30 Ca 0.35 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 61.94 2jr3 s VAL 30 Cb 0.38 -2.64 0.00 0.00 0.00 0.00 0.00 36.38 34.13 2jr3 s VAL 30 CO -0.02 0.59 0.00 0.61 0.00 0.00 0.00 175.10 176.28 2jr3 n GLY 31 N 2.30 2.08 3.78 4.51 0.00 -1.26 -0.98 105.19 115.62 2jr3 n GLY 31 Ca -0.18 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.65 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 -4.56 6.33 -0.75 0.00 0.01 -1.26 -4.94 113.70 108.52 2jr3 s SER 33 Ca 0.60 1.11 -0.26 0.00 1.31 0.00 0.00 55.95 58.71 2jr3 s SER 33 Cb -0.05 -2.32 -0.09 0.00 0.21 0.00 0.00 66.02 63.77 2jr3 s SER 33 CO 0.38 -0.60 2.24 -0.83 0.41 0.00 0.00 173.24 174.85 2jr3 s GLY 34 N -3.85 -0.41 0.00 3.44 0.00 -1.26 -1.37 107.32 103.87 2jr3 s GLY 34 Ca 0.50 -0.82 0.00 0.00 0.00 0.00 0.00 44.72 44.40 2jr3 s GLY 34 CO 0.43 3.95 0.00 0.61 0.00 0.00 0.00 173.10 178.09 2jr3 n GLY 35 N 6.58 -0.05 2.98 0.20 0.00 -1.26 -5.13 105.19 108.51 2jr3 n GLY 35 Ca 0.41 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.80 1.19 0.00 1.61 0.40 -0.47 -3.30 117.98 116.61 2jr3 s PHE 36 Ca 0.00 -0.41 0.00 0.00 -0.60 0.00 0.00 56.93 55.92 2jr3 s PHE 36 Cb 0.00 -0.91 0.00 0.00 0.51 0.00 0.00 43.02 42.62 2jr3 s PHE 36 CO 0.00 -0.24 0.00 0.41 0.70 0.00 0.00 175.22 176.09 2jr3 n GLY 37 N 3.87 4.40 3.19 4.36 0.00 0.23 -4.18 105.19 117.06 2jr3 n GLY 37 Ca -0.24 -2.15 -0.13 0.00 0.00 0.00 0.00 46.02 43.50 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 -3.76 3.81 -0.16 0.00 1.81 -1.26 -3.99 118.95 115.40 2jr3 s ARG 40 Ca 0.36 2.34 -0.10 0.00 -1.72 0.00 0.00 55.73 56.62 2jr3 s ARG 40 Cb 0.03 -4.21 -0.07 0.00 -0.45 0.00 0.00 34.95 30.25 2jr3 s ARG 40 CO 0.20 -1.32 -0.23 -0.89 -0.68 0.00 0.00 175.30 172.37 2jr3 n ILE 41 N 6.27 1.08 -0.87 1.52 5.41 -0.90 -5.04 119.36 126.84 2jr3 n ILE 41 Ca 0.23 -0.16 0.00 0.00 1.00 0.00 0.00 62.75 63.82 2jr3 n ILE 41 Cb 0.43 -1.82 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