#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 4.57 0.24 -2.24 1.01 -1.26 -5.10 116.67 113.90 2jr3 s ASP 2 Ca 0.00 -2.53 0.04 0.00 0.71 0.00 0.00 52.55 50.77 2jr3 s ASP 2 Cb 0.00 -1.64 -0.03 0.00 1.01 0.00 0.00 42.92 42.26 2jr3 s ASP 2 CO 0.00 -0.32 0.37 0.42 0.21 0.00 0.00 175.17 175.86 2jr3 s THR 3 N 0.38 5.25 0.40 -1.27 -4.23 -1.26 -5.12 115.64 109.80 2jr3 s THR 3 Ca 0.14 -0.91 -0.07 0.00 -1.18 0.00 0.00 61.69 59.67 2jr3 s THR 3 Cb -0.22 -3.85 0.10 0.00 1.34 0.00 0.00 72.50 69.87 2jr3 s THR 3 CO -0.05 -0.33 0.36 -0.81 -0.54 0.00 0.00 174.62 173.25 2jr3 n PRO 4 N -1.38 -1.71 -1.33 3.99 -0.04 -1.26 -4.85 135.00 128.41 2jr3 n PRO 4 Ca -0.08 -0.57 -0.39 0.00 -0.04 0.00 0.00 63.50 62.42 2jr3 n PRO 4 Cb 0.57 -0.53 -0.03 0.00 -0.04 0.00 0.00 33.50 33.46 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 -3.61 8.76 -1.35 3.54 7.64 -1.26 -4.86 113.62 122.47 2jr3 n SER 5 Ca 0.05 -2.59 0.00 0.00 1.01 0.00 0.00 58.87 57.34 2jr3 n SER 5 Cb 0.19 -1.55 0.00 0.00 -1.01 0.00 0.00 64.21 61.84 2jr3 n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2jr3 n SER 6 N 3.52 0.80 -3.63 6.43 7.64 -1.26 -5.14 113.62 121.98 2jr3 n SER 6 Ca 0.78 -0.68 -0.03 0.00 1.01 0.00 0.00 58.87 59.95 2jr3 n SER 6 Cb 0.23 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.39 2jr3 n SER 6 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 2jr3 s ARG 7 N -0.64 0.14 0.04 1.43 3.52 -1.26 -4.88 118.95 117.30 2jr3 s ARG 7 Ca 0.00 0.05 -0.32 0.00 -0.13 0.00 0.00 55.73 55.33 2jr3 s ARG 7 Cb 0.00 0.07 -0.10 0.00 -1.56 0.00 0.00 34.95 33.35 2jr3 s ARG 7 CO 0.00 -0.04 1.89 0.00 -0.81 0.00 0.00 175.30 176.34 2jr3 n GLY 9 N 4.36 -0.00 0.00 0.00 0.00 0.11 -4.85 105.19 104.81 2jr3 n GLY 9 Ca 0.20 -0.49 0.01 0.00 0.00 0.00 0.00 46.02 45.74 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 0.18 2.46 0.00 1.61 2.88 -0.47 -5.01 113.62 115.28 2jr3 n SER 10 Ca -0.11 -0.25 0.00 0.00 -1.33 0.00 0.00 58.87 57.18 2jr3 n SER 10 Cb 0.58 1.06 0.00 0.00 -0.75 0.00 0.00 64.21 65.10 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 1.77 -0.91 0.08 0.46 0.00 -1.26 -4.94 105.19 100.38 2jr3 n GLY 11 Ca -0.00 0.40 0.05 0.00 0.00 0.00 0.00 46.02 46.47 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 0.02 3.75 -0.02 0.00 -1.26 -4.98 105.19 102.55 2jr3 n GLY 12 Ca 0.00 -0.27 -0.39 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.71 3.72 0.00 1.61 0.52 -1.26 -1.99 118.94 119.83 2jr3 s TRP 13 Ca 0.05 1.38 0.00 0.00 0.02 0.00 0.00 56.10 57.55 2jr3 s TRP 13 Cb 0.07 -2.74 0.00 0.00 -1.15 0.00 0.00 33.47 29.65 2jr3 s TRP 13 CO 0.34 0.31 0.00 0.41 0.02 0.00 0.00 176.95 178.03 2jr3 n GLY 14 N 2.39 -3.66 0.22 0.98 0.00 -1.26 0.06 105.19 103.92 2jr3 n GLY 14 Ca -0.04 -1.21 -0.12 0.00 0.00 0.00 0.00 46.02 44.66 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 -0.44 -1.06 1.61 0.13 -1.95 0.27 132.00 130.56 2jr3 h PRO 15 Ca 0.00 0.03 0.17 0.00 -0.87 0.00 0.00 66.00 65.33 2jr3 h PRO 15 Cb 0.00 0.10 -0.27 0.00 0.13 0.00 0.00 31.00 30.96 2jr3 h PRO 15 CO 0.00 -0.13 0.39 0.00 -0.23 0.00 0.00 178.00 178.03 2jr3 s LEU 17 N 1.86 2.05 0.02 0.00 2.96 0.19 -4.97 118.68 120.78 2jr3 s LEU 17 Ca -0.05 -0.31 -0.30 0.00 -0.22 0.00 0.00 54.13 53.24 2jr3 s LEU 17 Cb -0.04 -0.82 -0.06 0.00 0.50 0.00 0.00 46.19 45.77 2jr3 s LEU 17 CO -0.15 0.18 1.43 -2.16 -1.32 0.00 0.00 176.35 174.33 2jr3 s PRO 18 N -0.47 4.27 0.66 0.98 0.04 -1.26 0.84 135.00 140.06 2jr3 s PRO 18 Ca 0.06 2.03 0.38 0.00 0.04 0.00 0.00 61.00 63.50 2jr3 s PRO 18 Cb -0.06 -3.54 2.06 0.00 0.04 0.00 0.00 34.50 32.99 2jr3 s PRO 18 CO -0.00 -0.58 2.18 0.82 0.04 0.00 0.00 177.00 179.45 2jr3 h ILE 19 N 4.84 0.04 -0.04 0.56 2.04 -1.87 -0.58 117.51 122.51 2jr3 h ILE 19 Ca -0.39 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.48 2jr3 h ILE 19 Cb 1.18 0.86 -0.00 0.00 -0.74 0.00 0.00 36.82 38.12 2jr3 h ILE 19 CO 0.90 0.00 0.08 1.62 0.00 0.00 0.00 178.15 180.75 2jr3 h VAL 20 N 0.00 0.22 -0.01 1.67 3.04 -1.90 -0.53 116.25 118.75 2jr3 h VAL 20 Ca 0.01 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.70 2jr3 h VAL 20 Cb 0.30 0.93 0.00 0.00 -2.01 0.00 0.00 31.29 30.50 2jr3 h VAL 20 CO -0.00 0.00 -0.10 0.47 -1.01 0.00 0.00 177.57 176.93 2jr3 n ASP 21 N -3.39 1.18 -4.26 3.17 9.92 -0.24 -5.05 116.55 117.88 2jr3 n ASP 21 Ca -0.02 -1.09 -0.36 0.00 -0.53 0.00 0.00 54.79 52.79 2jr3 n ASP 21 Cb 0.16 0.33 0.07 0.00 -0.64 0.00 0.00 41.12 41.04 2jr3 n ASP 21 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 2jr3 n LEU 22 N -0.11 -2.43 0.00 0.64 7.94 -0.21 -4.94 117.00 117.90 2jr3 n LEU 22 Ca 0.03 0.39 0.00 0.00 -1.11 0.00 0.00 56.01 55.32 2jr3 n LEU 22 Cb 0.16 -1.01 0.00 0.00 0.53 0.00 0.00 43.42 43.10 2jr3 n LEU 22 CO 0.07 -4.49 -0.03 -0.11 -1.11 0.00 0.00 177.39 171.72 2jr3 n LEU 23 N 1.11 0.00 -4.94 -1.96 0.00 -1.26 -5.07 117.00 104.88 2jr3 n LEU 23 Ca 0.05 -0.02 -0.20 0.00 0.00 0.00 0.00 56.01 55.84 2jr3 n LEU 23 Cb 0.53 0.00 -0.01 0.00 0.00 0.00 0.00 43.42 43.94 2jr3 n LEU 23 CO 0.52 0.00 0.09 0.00 0.00 0.00 0.00 177.39 178.00 2jr3 n ILE 25 N -1.73 0.04 0.49 0.00 5.41 -1.26 -4.64 119.36 117.66 2jr3 n ILE 25 Ca 0.06 -0.02 0.05 0.00 1.00 0.00 0.00 62.75 63.84 2jr3 n ILE 25 Cb 0.61 -0.74 0.18 0.00 -0.71 0.00 0.00 39.64 38.98 2jr3 n ILE 25 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 2jr3 n VAL 26 N -2.29 0.89 -0.06 1.39 0.31 -1.26 -4.93 118.33 112.37 2jr3 n VAL 26 Ca -0.01 -0.58 -0.06 0.00 -0.01 0.00 0.00 64.34 63.68 2jr3 n VAL 26 Cb 0.52 -0.05 0.05 0.00 -0.91 0.00 0.00 33.84 33.45 2jr3 n VAL 26 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2jr3 n HIS 27 N 0.45 -2.07 -4.93 3.52 1.44 -1.26 -4.88 115.22 107.48 2jr3 n HIS 27 Ca 0.13 -0.13 -0.28 0.00 -2.01 0.00 0.00 57.72 55.43 2jr3 n HIS 27 Cb 0.49 -0.27 -0.15 0.00 0.12 0.00 0.00 29.99 30.18 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 -1.11 1.79 -0.29 0.61 1.01 -0.46 -4.87 120.40 117.07 2jr3 s VAL 28 Ca 0.12 -1.10 0.17 0.00 0.00 0.00 0.00 61.98 61.17 2jr3 s VAL 28 Cb -0.02 -1.52 0.48 0.00 0.00 0.00 0.00 36.38 35.32 2jr3 s VAL 28 CO 0.10 0.39 1.11 0.35 0.00 0.00 0.00 175.10 177.05 2jr3 n THR 29 N 2.20 1.62 -4.51 3.92 -2.24 -1.26 0.12 114.28 114.13 2jr3 n THR 29 Ca -0.16 -3.41 -0.34 0.00 -2.27 0.00 0.00 64.05 57.86 2jr3 n THR 29 Cb 0.53 0.41 -0.10 0.00 -2.10 0.00 0.00 70.33 69.07 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 -4.03 3.98 0.00 2.28 1.01 -1.26 -4.43 120.40 117.95 2jr3 s VAL 30 Ca 0.35 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 61.95 2jr3 s VAL 30 Cb 0.37 -2.65 0.00 0.00 0.00 0.00 0.00 36.38 34.10 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 2.17 2.05 3.47 4.51 0.00 -1.26 -0.45 105.19 115.67 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 -4.19 6.82 -0.56 0.00 0.01 -1.26 -4.95 113.70 109.56 2jr3 s SER 33 Ca 0.54 1.22 -0.28 0.00 1.31 0.00 0.00 55.95 58.74 2jr3 s SER 33 Cb -0.04 -2.35 -0.10 0.00 0.21 0.00 0.00 66.02 63.74 2jr3 s SER 33 CO 0.34 -0.09 2.44 0.61 0.41 0.00 0.00 173.24 176.96 2jr3 n GLY 34 N 0.08 0.13 0.00 3.44 0.00 -1.26 -0.73 105.19 106.85 2jr3 n GLY 34 Ca 0.00 0.79 0.00 0.00 0.00 0.00 0.00 46.02 46.82 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 6.15 0.84 2.98 -0.02 0.00 -1.26 -5.11 105.19 108.76 2jr3 n GLY 35 Ca 0.43 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.22 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 -1.41 1.19 0.00 1.61 0.40 0.09 -3.40 117.98 116.47 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 3.88 4.29 2.99 4.36 0.00 0.25 -4.21 105.19 116.74 2jr3 n GLY 37 Ca -0.24 -2.16 -0.12 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 n ARG 40 N -0.89 1.57 -0.11 0.00 5.12 -1.26 -4.01 116.66 117.09 2jr3 n ARG 40 Ca -0.05 0.33 -0.21 0.00 -1.93 0.00 0.00 57.85 55.99 2jr3 n ARG 40 Cb 0.61 -3.23 -0.09 0.00 -1.16 0.00 0.00 32.46 28.59 2jr3 n ARG 40 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 2jr3 n ILE 41 N 7.81 1.52 -0.76 0.55 5.41 -0.84 -5.03 119.36 128.01 2jr3 n ILE 41 Ca 0.34 -0.09 0.00 0.00 1.00 0.00 0.00 62.75 64.00 2jr3 n ILE 41 Cb 0.46 -2.06 0.00 0.00 -0.71 0.00 0.00 39.64 37.33 2jr3 n ILE 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16