#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 -3.99 1.67 2.03 -1.26 -5.19 116.55 109.81 2jr3 n ASP 2 Ca 0.00 -0.92 -0.08 0.00 0.52 0.00 0.00 54.79 54.31 2jr3 n ASP 2 Cb 0.00 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.31 2jr3 n ASP 2 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2jr3 s THR 3 N -2.60 0.18 0.06 5.18 -4.23 -1.26 -5.11 115.64 107.86 2jr3 s THR 3 Ca 0.00 -1.52 -0.01 0.00 -1.18 0.00 0.00 61.69 58.98 2jr3 s THR 3 Cb 0.00 -1.40 0.02 0.00 1.34 0.00 0.00 72.50 72.45 2jr3 s THR 3 CO 0.00 -0.84 0.05 -0.81 -0.54 0.00 0.00 174.62 172.49 2jr3 n PRO 4 N 0.10 -1.13 -1.16 3.99 -0.04 -1.26 -4.83 135.00 130.66 2jr3 n PRO 4 Ca -0.15 -0.09 -0.33 0.00 -0.04 0.00 0.00 63.50 62.89 2jr3 n PRO 4 Cb 0.61 -0.08 -0.04 0.00 -0.04 0.00 0.00 33.50 33.95 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 -3.09 7.68 -4.69 3.54 7.64 -1.26 -4.88 113.62 118.55 2jr3 n SER 5 Ca 0.01 -2.50 -0.26 0.00 1.01 0.00 0.00 58.87 57.13 2jr3 n SER 5 Cb 0.03 -1.44 -0.07 0.00 -1.01 0.00 0.00 64.21 61.71 2jr3 n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2jr3 s SER 6 N 2.41 4.88 -0.04 6.43 0.01 -1.26 -5.06 113.70 121.07 2jr3 s SER 6 Ca 0.63 -0.39 -0.16 0.00 1.31 0.00 0.00 55.95 57.34 2jr3 s SER 6 Cb 0.17 -1.07 0.03 0.00 0.21 0.00 0.00 66.02 65.36 2jr3 s SER 6 CO -0.05 0.06 0.35 -0.60 0.41 0.00 0.00 173.24 173.42 2jr3 s ARG 7 N -3.14 0.65 -0.13 12.44 3.52 -1.26 -4.80 118.95 126.23 2jr3 s ARG 7 Ca 0.29 -0.01 -0.38 0.00 -0.13 0.00 0.00 55.73 55.51 2jr3 s ARG 7 Cb -0.09 0.30 -0.15 0.00 -1.56 0.00 0.00 34.95 33.45 2jr3 s ARG 7 CO 0.20 -0.17 1.70 0.00 -0.81 0.00 0.00 175.30 176.22 2jr3 n GLY 9 N 3.90 0.51 0.00 0.00 0.00 0.94 -4.81 105.19 105.75 2jr3 n GLY 9 Ca 0.23 -0.87 -0.00 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 1.44 4.71 0.00 1.61 2.88 0.83 -5.02 113.62 120.08 2jr3 n SER 10 Ca -0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.51 2jr3 n SER 10 Cb 0.24 0.61 0.00 0.00 -0.75 0.00 0.00 64.21 64.31 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 2.85 2.17 0.18 0.46 0.00 -1.24 -4.92 105.19 104.69 2jr3 n GLY 11 Ca -0.02 -0.32 0.10 0.00 0.00 0.00 0.00 46.02 45.78 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 0.34 -0.52 3.75 -0.02 0.00 -1.26 -4.94 105.19 102.53 2jr3 n GLY 12 Ca 0.00 -0.58 -0.40 0.00 0.00 0.00 0.00 46.02 45.05 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 -2.67 3.69 0.03 1.61 0.52 -1.26 -1.37 118.94 119.50 2jr3 s TRP 13 Ca 0.11 1.36 -0.01 0.00 0.02 0.00 0.00 56.10 57.59 2jr3 s TRP 13 Cb 0.16 -2.76 0.01 0.00 -1.15 0.00 0.00 33.47 29.73 2jr3 s TRP 13 CO 0.71 0.27 0.02 0.41 0.02 0.00 0.00 176.95 178.37 2jr3 n GLY 14 N 2.52 -3.66 0.19 0.98 0.00 -1.26 -0.04 105.19 103.94 2jr3 n GLY 14 Ca -0.04 -1.20 -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 -0.39 -0.99 1.61 0.13 -1.95 0.23 132.00 130.65 2jr3 h PRO 15 Ca -0.01 0.03 0.18 0.00 -0.87 0.00 0.00 66.00 65.33 2jr3 h PRO 15 Cb 0.03 0.09 -0.27 0.00 0.13 0.00 0.00 31.00 30.97 2jr3 h PRO 15 CO 0.00 -0.05 0.44 0.00 -0.23 0.00 0.00 178.00 178.16 2jr3 s LEU 17 N 1.78 2.05 0.02 0.00 2.96 0.18 -4.98 118.68 120.69 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 -0.81 -0.06 0.00 0.50 0.00 0.00 46.19 45.78 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 -0.48 4.28 0.66 0.98 0.04 -1.26 0.74 135.00 139.95 2jr3 s PRO 18 Ca 0.06 2.03 0.37 0.00 0.04 0.00 0.00 61.00 63.50 2jr3 s PRO 18 Cb -0.06 -3.54 2.04 0.00 0.04 0.00 0.00 34.50 32.98 2jr3 s PRO 18 CO -0.00 -0.58 2.17 0.82 0.04 0.00 0.00 177.00 179.45 2jr3 h ILE 19 N 4.83 0.05 -0.05 0.56 2.04 -1.87 -0.58 117.51 122.49 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 1.19 0.85 -0.00 0.00 -0.74 0.00 0.00 36.82 38.12 2jr3 h ILE 19 CO 0.90 0.00 0.09 1.62 0.00 0.00 0.00 178.15 180.76 2jr3 h VAL 20 N 0.00 0.30 -0.01 1.67 3.04 -1.90 -0.67 116.25 118.68 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 0.31 0.92 0.00 0.00 -2.01 0.00 0.00 31.29 30.51 2jr3 h VAL 20 CO -0.00 0.00 -0.08 -0.67 -1.01 0.00 0.00 177.57 175.81 2jr3 n ASP 21 N -3.51 1.25 -4.21 3.17 -0.08 -0.24 -5.05 116.55 107.88 2jr3 n ASP 21 Ca -0.02 -1.13 -0.35 0.00 -1.51 0.00 0.00 54.79 51.79 2jr3 n ASP 21 Cb 0.17 0.26 0.07 0.00 2.34 0.00 0.00 41.12 43.97 2jr3 n ASP 21 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 2jr3 n LEU 22 N -0.01 -3.14 0.00 -2.67 7.94 -0.26 -4.94 117.00 113.92 2jr3 n LEU 22 Ca 0.03 0.29 0.00 0.00 -1.11 0.00 0.00 56.01 55.23 2jr3 n LEU 22 Cb 0.16 -0.97 0.00 0.00 0.53 0.00 0.00 43.42 43.13 2jr3 n LEU 22 CO 0.07 -4.83 -0.03 -0.11 -1.11 0.00 0.00 177.39 171.37 2jr3 n LEU 23 N 1.28 0.00 -4.90 -1.96 0.00 -1.26 -5.06 117.00 105.10 2jr3 n LEU 23 Ca 0.03 -0.03 -0.21 0.00 0.00 0.00 0.00 56.01 55.80 2jr3 n LEU 23 Cb 0.54 0.00 -0.02 0.00 0.00 0.00 0.00 43.42 43.94 2jr3 n LEU 23 CO 0.52 0.00 0.03 0.00 0.00 0.00 0.00 177.39 177.94 2jr3 n ILE 25 N -1.62 0.10 0.41 0.00 5.41 -1.26 -4.64 119.36 117.76 2jr3 n ILE 25 Ca 0.04 -0.04 0.05 0.00 1.00 0.00 0.00 62.75 63.79 2jr3 n ILE 25 Cb 0.62 -0.66 0.18 0.00 -0.71 0.00 0.00 39.64 39.07 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 -2.43 0.97 -0.06 1.39 3.14 -1.26 -4.93 118.33 115.14 2jr3 n VAL 26 Ca -0.03 -0.60 -0.06 0.00 -2.96 0.00 0.00 64.34 60.69 2jr3 n VAL 26 Cb 0.54 -0.09 0.05 0.00 -1.06 0.00 0.00 33.84 33.28 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 0.44 -2.05 -5.09 1.45 1.44 -1.26 -5.00 115.22 105.15 2jr3 n HIS 27 Ca 0.13 -0.12 -0.30 0.00 -2.01 0.00 0.00 57.72 55.42 2jr3 n HIS 27 Cb 0.53 -0.27 -0.15 0.00 0.12 0.00 0.00 29.99 30.21 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 2.01 -0.29 0.61 1.01 -0.53 -5.01 120.40 117.09 2jr3 s VAL 28 Ca 0.12 -1.19 0.16 0.00 0.00 0.00 0.00 61.98 61.08 2jr3 s VAL 28 Cb -0.02 -1.69 0.48 0.00 0.00 0.00 0.00 36.38 35.15 2jr3 s VAL 28 CO 0.10 0.47 1.12 0.35 0.00 0.00 0.00 175.10 177.14 2jr3 n THR 29 N 2.19 1.71 -4.25 3.92 -2.24 -1.26 0.12 114.28 114.46 2jr3 n THR 29 Ca -0.16 -3.48 -0.35 0.00 -2.27 0.00 0.00 64.05 57.79 2jr3 n THR 29 Cb 0.52 0.29 -0.08 0.00 -2.10 0.00 0.00 70.33 68.95 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 -4.10 4.54 0.00 2.28 1.01 -1.26 -4.37 120.40 118.50 2jr3 s VAL 30 Ca 0.36 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 62.10 2jr3 s VAL 30 Cb 0.37 -2.96 0.00 0.00 0.00 0.00 0.00 36.38 33.79 2jr3 s VAL 30 CO -0.02 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.24 2jr3 n GLY 31 N 1.89 2.31 3.87 4.51 0.00 -1.26 -1.33 105.19 115.18 2jr3 n GLY 31 Ca -0.18 0.00 -0.20 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 -4.62 6.60 -0.58 0.00 0.01 -1.26 -4.96 113.70 108.90 2jr3 s SER 33 Ca 0.61 0.99 -0.27 0.00 1.31 0.00 0.00 55.95 58.59 2jr3 s SER 33 Cb -0.05 -2.26 -0.10 0.00 0.21 0.00 0.00 66.02 63.83 2jr3 s SER 33 CO 0.39 -0.17 2.47 0.61 0.41 0.00 0.00 173.24 176.94 2jr3 n GLY 34 N -0.52 0.06 0.00 3.44 0.00 -1.26 -0.91 105.19 106.00 2jr3 n GLY 34 Ca 0.01 0.73 0.00 0.00 0.00 0.00 0.00 46.02 46.76 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 6.10 0.73 2.99 -0.02 0.00 -1.26 -5.12 105.19 108.61 2jr3 n GLY 35 Ca 0.42 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.08 1.18 0.01 1.61 0.40 -0.09 -3.48 117.98 116.53 2jr3 s PHE 36 Ca 0.00 -0.39 0.00 0.00 -0.60 0.00 0.00 56.93 55.94 2jr3 s PHE 36 Cb 0.00 -0.89 -0.00 0.00 0.51 0.00 0.00 43.02 42.64 2jr3 s PHE 36 CO 0.00 -0.21 0.00 0.41 0.70 0.00 0.00 175.22 176.12 2jr3 n GLY 37 N 3.74 4.17 3.01 4.36 0.00 0.23 -4.21 105.19 116.49 2jr3 n GLY 37 Ca -0.23 -2.16 -0.12 0.00 0.00 0.00 0.00 46.02 43.52 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 -0.86 1.40 -0.10 0.00 5.12 -1.26 -3.99 116.66 116.97 2jr3 n ARG 40 Ca -0.05 0.27 -0.18 0.00 -1.93 0.00 0.00 57.85 55.96 2jr3 n ARG 40 Cb 0.61 -3.14 -0.09 0.00 -1.16 0.00 0.00 32.46 28.67 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 7.77 1.51 1.55 0.55 5.41 -0.47 -5.02 119.36 130.66 2jr3 n ILE 41 Ca 0.36 0.01 0.14 0.00 1.00 0.00 0.00 62.75 64.26 2jr3 n ILE 41 Cb 0.44 -2.11 0.57 0.00 -0.71 0.00 0.00 39.64 37.82 2jr3 n ILE 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16