#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 6.08 -0.55 -1.12 2.15 -1.26 -4.98 116.67 116.99 2jr3 s ASP 2 Ca 0.00 -3.25 0.04 0.00 0.43 0.00 0.00 52.55 49.77 2jr3 s ASP 2 Cb 0.00 -1.99 0.14 0.00 -0.30 0.00 0.00 42.92 40.77 2jr3 s ASP 2 CO 0.00 -0.33 0.32 -0.89 -0.17 0.00 0.00 175.17 174.11 2jr3 s THR 3 N -0.66 2.40 0.11 1.71 2.01 -1.26 -5.10 115.64 114.84 2jr3 s THR 3 Ca 0.23 -3.43 -0.02 0.00 0.31 0.00 0.00 61.69 58.78 2jr3 s THR 3 Cb -0.12 -2.64 0.03 0.00 0.01 0.00 0.00 72.50 69.78 2jr3 s THR 3 CO -0.08 -0.89 0.10 -0.81 -0.69 0.00 0.00 174.62 172.25 2jr3 n PRO 4 N 2.86 -1.22 -1.30 4.92 -0.04 -1.26 -4.85 135.00 134.12 2jr3 n PRO 4 Ca 0.10 -0.16 -0.33 0.00 -0.04 0.00 0.00 63.50 63.08 2jr3 n PRO 4 Cb 0.34 -0.15 -0.06 0.00 -0.04 0.00 0.00 33.50 33.59 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 -3.17 7.95 -4.69 3.54 2.88 -1.26 -4.89 113.62 113.98 2jr3 n SER 5 Ca 0.01 -2.60 -0.26 0.00 -1.33 0.00 0.00 58.87 54.69 2jr3 n SER 5 Cb 0.05 -1.51 -0.07 0.00 -0.75 0.00 0.00 64.21 61.93 2jr3 n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2jr3 s SER 6 N 1.97 4.90 0.08 -3.46 0.01 -1.26 -5.13 113.70 110.80 2jr3 s SER 6 Ca 0.68 -0.37 -0.07 0.00 1.31 0.00 0.00 55.95 57.51 2jr3 s SER 6 Cb 0.21 -1.08 -0.01 0.00 0.21 0.00 0.00 66.02 65.35 2jr3 s SER 6 CO -0.05 0.08 0.14 0.00 0.41 0.00 0.00 173.24 173.81 2jr3 s ARG 7 N -3.04 0.79 -0.11 12.44 1.70 -1.26 -4.69 118.95 124.77 2jr3 s ARG 7 Ca 0.28 -1.02 -0.37 0.00 -0.47 0.00 0.00 55.73 54.15 2jr3 s ARG 7 Cb -0.09 0.31 -0.14 0.00 -0.57 0.00 0.00 34.95 34.46 2jr3 s ARG 7 CO 0.20 -0.23 1.73 0.00 -1.08 0.00 0.00 175.30 175.92 2jr3 n GLY 9 N 4.00 0.83 0.00 0.00 0.00 0.94 -4.81 105.19 106.15 2jr3 n GLY 9 Ca 0.23 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 0.91 2.25 0.00 1.61 2.88 -0.78 -5.04 113.62 115.46 2jr3 n SER 10 Ca -0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2jr3 n SER 10 Cb 0.50 0.04 0.00 0.00 -0.75 0.00 0.00 64.21 64.00 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 2.48 0.25 0.09 0.46 0.00 -1.26 -4.99 105.19 102.21 2jr3 n GLY 11 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.09 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 0.31 -0.28 3.72 -0.02 0.00 -1.26 -4.84 105.19 102.82 2jr3 n GLY 12 Ca 0.00 -0.41 -0.40 0.00 0.00 0.00 0.00 46.02 45.21 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 3.59 0.00 1.61 0.52 -1.26 -0.18 118.94 121.00 2jr3 s TRP 13 Ca 0.07 1.27 0.00 0.00 0.02 0.00 0.00 56.10 57.46 2jr3 s TRP 13 Cb 0.11 -2.81 0.00 0.00 -1.15 0.00 0.00 33.47 29.62 2jr3 s TRP 13 CO 0.54 0.09 0.00 0.41 0.02 0.00 0.00 176.95 178.01 2jr3 n GLY 14 N 3.06 -3.32 0.18 0.98 0.00 -1.25 -0.04 105.19 104.79 2jr3 n GLY 14 Ca -0.01 -1.28 -0.12 0.00 0.00 0.00 0.00 46.02 44.61 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 -0.33 -0.76 1.61 0.13 -1.96 0.23 132.00 130.92 2jr3 h PRO 15 Ca 0.00 0.02 0.21 0.00 -0.87 0.00 0.00 66.00 65.36 2jr3 h PRO 15 Cb 0.00 0.08 -0.29 0.00 0.13 0.00 0.00 31.00 30.92 2jr3 h PRO 15 CO 0.00 0.02 0.52 0.00 -0.23 0.00 0.00 178.00 178.32 2jr3 s LEU 17 N 1.73 2.04 0.01 0.00 2.96 0.14 -4.97 118.68 120.58 2jr3 s LEU 17 Ca -0.04 -0.31 -0.30 0.00 -0.22 0.00 0.00 54.13 53.25 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 0.20 1.44 -2.16 -1.32 0.00 0.00 176.35 174.36 2jr3 s PRO 18 N -0.44 4.27 0.67 0.98 0.04 -1.26 0.88 135.00 140.13 2jr3 s PRO 18 Ca 0.06 2.02 0.39 0.00 0.04 0.00 0.00 61.00 63.52 2jr3 s PRO 18 Cb -0.07 -3.57 2.14 0.00 0.04 0.00 0.00 34.50 33.05 2jr3 s PRO 18 CO -0.00 -0.59 2.21 0.82 0.04 0.00 0.00 177.00 179.47 2jr3 h ILE 19 N 4.88 0.01 -0.06 0.56 2.04 -1.86 -0.81 117.51 122.27 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 0.91 0.00 0.10 1.62 0.00 0.00 0.00 178.15 180.77 2jr3 h VAL 20 N 0.00 0.32 -0.01 1.67 3.04 -1.90 -0.58 116.25 118.79 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 0.25 0.92 0.00 0.00 -2.01 0.00 0.00 31.29 30.44 2jr3 h VAL 20 CO -0.00 0.00 -0.11 -0.67 -1.01 0.00 0.00 177.57 175.78 2jr3 n ASP 21 N -3.53 1.21 -4.26 3.17 2.03 -0.32 -5.05 116.55 109.80 2jr3 n ASP 21 Ca -0.01 -1.11 -0.36 0.00 0.52 0.00 0.00 54.79 53.83 2jr3 n ASP 21 Cb 0.18 0.34 0.07 0.00 -0.72 0.00 0.00 41.12 40.99 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 -0.10 -2.47 0.00 -2.67 7.94 -0.23 -4.94 117.00 114.53 2jr3 n LEU 22 Ca 0.04 0.38 0.00 0.00 -1.11 0.00 0.00 56.01 55.32 2jr3 n LEU 22 Cb 0.17 -1.01 0.00 0.00 0.53 0.00 0.00 43.42 43.11 2jr3 n LEU 22 CO 0.08 -4.51 -0.03 -0.11 -1.11 0.00 0.00 177.39 171.71 2jr3 n LEU 23 N 1.13 0.00 -5.01 -1.96 0.00 -1.26 -5.06 117.00 104.83 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 0.04 0.00 0.00 0.00 0.00 43.42 43.99 2jr3 n LEU 23 CO 0.52 0.00 0.26 0.00 0.00 0.00 0.00 177.39 178.17 2jr3 n ILE 25 N -2.09 0.00 0.41 0.00 5.41 -1.26 -4.70 119.36 117.14 2jr3 n ILE 25 Ca 0.12 0.00 0.05 0.00 1.00 0.00 0.00 62.75 63.92 2jr3 n ILE 25 Cb 0.61 -0.55 0.18 0.00 -0.71 0.00 0.00 39.64 39.18 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 -1.97 0.96 -0.08 1.39 0.31 -1.26 -4.93 118.33 112.75 2jr3 n VAL 26 Ca 0.00 -0.60 -0.07 0.00 -0.01 0.00 0.00 64.34 63.66 2jr3 n VAL 26 Cb 0.38 -0.09 0.07 0.00 -0.91 0.00 0.00 33.84 33.29 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 0.44 -2.12 -4.85 3.52 1.44 -1.26 -5.01 115.22 107.39 2jr3 n HIS 27 Ca 0.13 -0.15 -0.25 0.00 -2.01 0.00 0.00 57.72 55.44 2jr3 n HIS 27 Cb 0.53 -0.34 -0.15 0.00 0.12 0.00 0.00 29.99 30.15 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 -1.16 1.49 -0.33 0.61 1.01 0.23 -5.00 120.40 117.25 2jr3 s VAL 28 Ca 0.15 -0.87 0.14 0.00 0.00 0.00 0.00 61.98 61.40 2jr3 s VAL 28 Cb -0.03 -1.25 0.46 0.00 0.00 0.00 0.00 36.38 35.56 2jr3 s VAL 28 CO 0.13 0.37 1.08 0.35 0.00 0.00 0.00 175.10 177.03 2jr3 n THR 29 N 2.48 1.72 -4.56 3.92 -2.24 -1.26 0.26 114.28 114.60 2jr3 n THR 29 Ca -0.15 -3.73 -0.34 0.00 -2.27 0.00 0.00 64.05 57.55 2jr3 n THR 29 Cb 0.54 -0.03 -0.11 0.00 -2.10 0.00 0.00 70.33 68.62 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 -4.20 3.82 0.00 2.28 1.01 -1.26 -4.45 120.40 117.59 2jr3 s VAL 30 Ca 0.37 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 61.92 2jr3 s VAL 30 Cb 0.40 -2.58 0.00 0.00 0.00 0.00 0.00 36.38 34.20 2jr3 s VAL 30 CO -0.04 0.58 0.00 0.61 0.00 0.00 0.00 175.10 176.26 2jr3 n GLY 31 N 2.42 1.99 3.34 4.51 0.00 -1.26 -0.29 105.19 115.90 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 -4.08 6.70 -0.29 0.00 0.15 -1.26 -4.98 113.70 109.93 2jr3 s SER 33 Ca 0.52 0.94 -0.34 0.00 0.70 0.00 0.00 55.95 57.77 2jr3 s SER 33 Cb -0.04 -2.23 -0.11 0.00 -1.71 0.00 0.00 66.02 61.93 2jr3 s SER 33 CO 0.33 0.05 2.13 0.61 1.20 0.00 0.00 173.24 177.56 2jr3 n GLY 34 N 0.44 0.70 0.00 9.45 0.00 -1.26 -0.80 105.19 113.73 2jr3 n GLY 34 Ca -0.04 0.90 0.00 0.00 0.00 0.00 0.00 46.02 46.89 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 6.05 1.16 2.97 -0.02 0.00 -1.26 -5.09 105.19 108.99 2jr3 n GLY 35 Ca 0.37 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.16 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 0.05 1.61 0.40 0.02 -3.22 117.98 116.04 2jr3 s PHE 36 Ca 0.00 -0.43 0.00 0.00 -0.60 0.00 0.00 56.93 55.90 2jr3 s PHE 36 Cb 0.00 -0.93 -0.00 0.00 0.51 0.00 0.00 43.02 42.60 2jr3 s PHE 36 CO 0.00 -0.26 0.00 0.41 0.70 0.00 0.00 175.22 176.07 2jr3 n GLY 37 N 3.99 4.11 3.05 4.36 0.00 0.25 -4.21 105.19 116.74 2jr3 n GLY 37 Ca -0.23 -2.19 -0.12 0.00 0.00 0.00 0.00 46.02 43.49 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 -3.79 2.87 -0.24 0.00 1.81 -1.26 -3.96 118.95 114.38 2jr3 s ARG 40 Ca 0.37 1.46 -0.16 0.00 -1.72 0.00 0.00 55.73 55.68 2jr3 s ARG 40 Cb 0.04 -4.37 -0.13 0.00 -0.45 0.00 0.00 34.95 30.04 2jr3 s ARG 40 CO 0.20 -2.41 -0.19 -0.89 -0.68 0.00 0.00 175.30 171.33 2jr3 n ILE 41 N 7.62 1.52 -0.58 1.52 5.41 0.75 -5.01 119.36 130.59 2jr3 n ILE 41 Ca 0.28 -0.18 0.00 0.00 1.00 0.00 0.00 62.75 63.85 2jr3 n ILE 41 Cb 0.49 -2.02 0.00 0.00 -0.71 0.00 0.00 39.64 37.40 2jr3 n ILE 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16