#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 -7.20 -4.48 1.67 2.03 -1.26 -4.95 116.55 102.35 2jr3 n ASP 2 Ca 0.00 -0.07 -0.33 0.00 0.52 0.00 0.00 54.79 54.91 2jr3 n ASP 2 Cb 0.00 -4.88 0.13 0.00 -0.72 0.00 0.00 41.12 35.65 2jr3 n ASP 2 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2jr3 n THR 3 N -1.71 0.13 -0.65 5.18 -2.24 -1.26 -5.00 114.28 108.72 2jr3 n THR 3 Ca -0.00 -0.15 -0.09 0.00 -2.27 0.00 0.00 64.05 61.54 2jr3 n THR 3 Cb 0.50 -0.73 0.07 0.00 -2.10 0.00 0.00 70.33 68.07 2jr3 n THR 3 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2jr3 n PRO 4 N -2.31 -1.64 -1.48 -0.78 -0.04 -1.26 -4.85 135.00 122.64 2jr3 n PRO 4 Ca 0.08 -0.51 -0.40 0.00 -0.04 0.00 0.00 63.50 62.64 2jr3 n PRO 4 Cb 0.53 -0.47 -0.02 0.00 -0.04 0.00 0.00 33.50 33.50 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 -3.54 6.10 -1.29 3.54 2.88 -1.26 -4.88 113.62 115.16 2jr3 n SER 5 Ca 0.04 -2.69 0.00 0.00 -1.33 0.00 0.00 58.87 54.89 2jr3 n SER 5 Cb 0.17 -1.58 0.00 0.00 -0.75 0.00 0.00 64.21 62.05 2jr3 n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2jr3 n SER 6 N 4.93 0.02 -3.63 -3.46 7.64 -1.26 -5.14 113.62 112.72 2jr3 n SER 6 Ca 0.64 -0.65 -0.04 0.00 1.01 0.00 0.00 58.87 59.84 2jr3 n SER 6 Cb 0.31 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.46 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 -0.24 0.16 -0.03 1.43 3.52 -1.26 -4.88 118.95 117.64 2jr3 s ARG 7 Ca 0.00 0.04 -0.30 0.00 -0.13 0.00 0.00 55.73 55.35 2jr3 s ARG 7 Cb 0.00 0.07 -0.08 0.00 -1.56 0.00 0.00 34.95 33.39 2jr3 s ARG 7 CO 0.00 -0.05 1.96 0.00 -0.81 0.00 0.00 175.30 176.40 2jr3 n GLY 9 N 4.71 0.33 0.00 0.00 0.00 0.10 -4.81 105.19 105.53 2jr3 n GLY 9 Ca 0.21 -0.82 0.01 0.00 0.00 0.00 0.00 46.02 45.42 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 1.56 2.47 0.00 1.61 2.88 -0.60 -5.01 113.62 116.53 2jr3 n SER 10 Ca -0.03 -0.25 0.00 0.00 -1.33 0.00 0.00 58.87 57.26 2jr3 n SER 10 Cb 0.44 1.06 0.00 0.00 -0.75 0.00 0.00 64.21 64.96 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 1.76 -0.59 0.10 0.46 0.00 -1.26 -4.95 105.19 100.72 2jr3 n GLY 11 Ca -0.00 0.36 0.05 0.00 0.00 0.00 0.00 46.02 46.44 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 -0.06 3.76 -0.02 0.00 -1.26 -4.98 105.19 102.62 2jr3 n GLY 12 Ca 0.00 -0.32 -0.39 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.81 3.74 0.00 1.61 0.52 -1.26 -2.00 118.94 119.75 2jr3 s TRP 13 Ca 0.06 1.41 0.00 0.00 0.02 0.00 0.00 56.10 57.59 2jr3 s TRP 13 Cb 0.09 -2.74 0.00 0.00 -1.15 0.00 0.00 33.47 29.66 2jr3 s TRP 13 CO 0.38 0.33 0.00 0.41 0.02 0.00 0.00 176.95 178.10 2jr3 n GLY 14 N 2.29 -3.59 0.17 0.98 0.00 -1.26 -0.04 105.19 103.75 2jr3 n GLY 14 Ca -0.04 -1.19 -0.12 0.00 0.00 0.00 0.00 46.02 44.67 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 -0.77 1.61 0.13 -1.95 0.30 132.00 130.99 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 0.07 -0.30 0.00 0.13 0.00 0.00 31.00 30.91 2jr3 h PRO 15 CO 0.00 0.03 0.58 0.00 -0.23 0.00 0.00 178.00 178.39 2jr3 s LEU 17 N 1.57 2.04 0.02 0.00 2.96 0.19 -4.98 118.68 120.50 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 -0.88 -0.06 0.00 0.50 0.00 0.00 46.19 45.73 2jr3 s LEU 17 CO -0.13 0.20 1.43 -2.16 -1.32 0.00 0.00 176.35 174.37 2jr3 s PRO 18 N -0.46 4.28 0.66 0.98 0.04 -1.26 0.87 135.00 140.10 2jr3 s PRO 18 Ca 0.06 2.02 0.38 0.00 0.04 0.00 0.00 61.00 63.51 2jr3 s PRO 18 Cb -0.07 -3.53 2.10 0.00 0.04 0.00 0.00 34.50 33.04 2jr3 s PRO 18 CO -0.00 -0.57 2.19 0.82 0.04 0.00 0.00 177.00 179.47 2jr3 h ILE 19 N 4.82 0.03 -0.06 0.56 2.04 -1.86 -0.73 117.51 122.31 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 1.19 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 0.11 1.62 0.00 0.00 0.00 178.15 180.78 2jr3 h VAL 20 N 0.00 0.27 -0.01 1.67 3.04 -1.90 -0.51 116.25 118.82 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 -0.10 -0.67 -1.01 0.00 0.00 177.57 175.79 2jr3 n ASP 21 N -3.46 1.18 -4.28 3.17 2.03 -0.29 -5.05 116.55 109.85 2jr3 n ASP 21 Ca -0.01 -1.09 -0.36 0.00 0.52 0.00 0.00 54.79 53.84 2jr3 n ASP 21 Cb 0.19 0.32 0.06 0.00 -0.72 0.00 0.00 41.12 40.97 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 -0.09 -2.15 0.00 -2.67 7.94 -0.20 -4.93 117.00 114.89 2jr3 n LEU 22 Ca 0.03 0.45 0.00 0.00 -1.11 0.00 0.00 56.01 55.38 2jr3 n LEU 22 Cb 0.15 -1.01 0.00 0.00 0.53 0.00 0.00 43.42 43.09 2jr3 n LEU 22 CO 0.07 -4.35 -0.03 -0.11 -1.11 0.00 0.00 177.39 171.86 2jr3 n LEU 23 N 1.15 0.00 -5.02 -1.96 0.00 -1.26 -5.06 117.00 104.85 2jr3 n LEU 23 Ca 0.06 -0.02 -0.19 0.00 0.00 0.00 0.00 56.01 55.86 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 0.27 0.00 0.00 0.00 0.00 177.39 178.18 2jr3 n ILE 25 N -2.10 0.00 0.43 0.00 5.41 -1.26 -4.70 119.36 117.13 2jr3 n ILE 25 Ca 0.13 0.00 0.05 0.00 1.00 0.00 0.00 62.75 63.92 2jr3 n ILE 25 Cb 0.61 -0.56 0.18 0.00 -0.71 0.00 0.00 39.64 39.17 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 -2.02 0.95 -0.06 1.39 0.31 -1.26 -4.91 118.33 112.73 2jr3 n VAL 26 Ca 0.00 -0.60 -0.05 0.00 -0.01 0.00 0.00 64.34 63.67 2jr3 n VAL 26 Cb 0.39 -0.08 0.05 0.00 -0.91 0.00 0.00 33.84 33.30 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 -2.06 -4.93 3.52 1.44 -1.26 -4.86 115.22 107.52 2jr3 n HIS 27 Ca 0.13 -0.12 -0.28 0.00 -2.01 0.00 0.00 57.72 55.44 2jr3 n HIS 27 Cb 0.52 -0.27 -0.15 0.00 0.12 0.00 0.00 29.99 30.22 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 1.80 -0.31 0.61 1.01 0.33 -4.94 120.40 117.79 2jr3 s VAL 28 Ca 0.12 -1.11 0.16 0.00 0.00 0.00 0.00 61.98 61.15 2jr3 s VAL 28 Cb -0.02 -1.52 0.47 0.00 0.00 0.00 0.00 36.38 35.31 2jr3 s VAL 28 CO 0.10 0.38 1.08 0.35 0.00 0.00 0.00 175.10 177.01 2jr3 n THR 29 N 2.19 1.61 -4.67 3.92 -2.24 -1.26 0.33 114.28 114.15 2jr3 n THR 29 Ca -0.16 -3.53 -0.34 0.00 -2.27 0.00 0.00 64.05 57.76 2jr3 n THR 29 Cb 0.53 0.24 -0.12 0.00 -2.10 0.00 0.00 70.33 68.88 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 3.55 0.00 2.28 1.01 -1.26 -4.48 120.40 117.47 2jr3 s VAL 30 Ca 0.35 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.80 2jr3 s VAL 30 Cb 0.39 -2.45 0.00 0.00 0.00 0.00 0.00 36.38 34.32 2jr3 s VAL 30 CO -0.02 0.59 0.00 0.61 0.00 0.00 0.00 175.10 176.27 2jr3 n GLY 31 N 2.41 2.04 3.70 4.51 0.00 -1.26 -0.88 105.19 115.71 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 -4.50 6.33 -0.75 0.00 0.01 -1.26 -4.94 113.70 108.59 2jr3 s SER 33 Ca 0.59 1.16 -0.26 0.00 1.31 0.00 0.00 55.95 58.75 2jr3 s SER 33 Cb -0.04 -2.35 -0.09 0.00 0.21 0.00 0.00 66.02 63.75 2jr3 s SER 33 CO 0.38 -0.63 2.23 -0.83 0.41 0.00 0.00 173.24 174.79 2jr3 s GLY 34 N -3.87 -0.39 0.00 3.44 0.00 -1.26 -1.35 107.32 103.89 2jr3 s GLY 34 Ca 0.51 -0.84 0.00 0.00 0.00 0.00 0.00 44.72 44.40 2jr3 s GLY 34 CO 0.44 3.94 0.00 0.61 0.00 0.00 0.00 173.10 178.09 2jr3 n GLY 35 N 6.58 -0.06 2.98 0.20 0.00 -1.26 -5.13 105.19 108.50 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 -0.93 1.21 0.00 1.61 0.40 -0.46 -3.21 117.98 116.60 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 -0.93 0.00 0.00 0.51 0.00 0.00 43.02 42.60 2jr3 s PHE 36 CO 0.00 -0.25 0.00 0.41 0.70 0.00 0.00 175.22 176.08 2jr3 n GLY 37 N 3.89 4.43 3.20 4.36 0.00 0.25 -4.18 105.19 117.14 2jr3 n GLY 37 Ca -0.24 -2.16 -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 n ARG 40 N -0.98 1.61 -0.10 0.00 5.12 -1.26 -3.99 116.66 117.05 2jr3 n ARG 40 Ca -0.04 0.32 -0.19 0.00 -1.93 0.00 0.00 57.85 56.02 2jr3 n ARG 40 Cb 0.63 -3.33 -0.10 0.00 -1.16 0.00 0.00 32.46 28.50 2jr3 n ARG 40 CO 0.00 0.00 0.00 0.82 -1.93 0.00 0.00 177.63 176.52 2jr3 h ILE 41 N 7.38 0.73 0.00 0.55 2.04 -1.78 -3.50 117.51 122.93 2jr3 h ILE 41 Ca -0.34 -1.95 0.00 0.00 1.00 0.00 0.00 64.86 63.56 2jr3 h ILE 41 Cb 1.25 1.79 0.00 0.00 -0.74 0.00 0.00 36.82 39.12 2jr3 h ILE 41 CO 1.04 0.25 0.00 0.61 0.00 0.00 0.00 178.15 180.05