#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 -0.70 -0.40 -2.24 -4.77 -1.26 -5.12 116.67 102.18 2jr3 s ASP 2 Ca 0.00 1.31 0.04 0.00 -3.30 0.00 0.00 52.55 50.60 2jr3 s ASP 2 Cb 0.00 1.32 0.16 0.00 -1.09 0.00 0.00 42.92 43.32 2jr3 s ASP 2 CO 0.00 -0.22 0.44 -0.89 0.70 0.00 0.00 175.17 175.20 2jr3 s THR 3 N 0.52 -0.36 0.41 2.11 2.01 -1.26 -5.03 115.64 114.03 2jr3 s THR 3 Ca -0.01 -1.20 -0.07 0.00 0.31 0.00 0.00 61.69 60.72 2jr3 s THR 3 Cb -0.05 -0.62 0.10 0.00 0.01 0.00 0.00 72.50 71.94 2jr3 s THR 3 CO -0.03 -0.57 0.36 -0.81 -0.69 0.00 0.00 174.62 172.87 2jr3 n PRO 4 N 3.82 -1.73 -1.40 4.92 -0.04 -1.26 -4.86 135.00 134.45 2jr3 n PRO 4 Ca 0.15 -0.58 -0.39 0.00 -0.04 0.00 0.00 63.50 62.64 2jr3 n PRO 4 Cb 0.48 -0.54 -0.02 0.00 -0.04 0.00 0.00 33.50 33.37 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 -3.62 8.09 -1.39 3.54 7.64 -1.26 -4.88 113.62 121.75 2jr3 n SER 5 Ca 0.05 -2.63 0.00 0.00 1.01 0.00 0.00 58.87 57.30 2jr3 n SER 5 Cb 0.19 -1.56 0.00 0.00 -1.01 0.00 0.00 64.21 61.83 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 3.83 0.04 -3.64 6.43 7.64 -1.26 -5.15 113.62 121.52 2jr3 n SER 6 Ca 0.75 -0.69 0.01 0.00 1.01 0.00 0.00 58.87 59.94 2jr3 n SER 6 Cb 0.25 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.45 2jr3 n SER 6 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jr3 s ARG 7 N -0.48 0.49 -0.01 1.43 1.70 -1.26 -4.72 118.95 116.10 2jr3 s ARG 7 Ca 0.00 -0.27 -0.30 0.00 -0.47 0.00 0.00 55.73 54.68 2jr3 s ARG 7 Cb 0.00 0.16 -0.06 0.00 -0.57 0.00 0.00 34.95 34.48 2jr3 s ARG 7 CO 0.00 -0.22 1.62 0.00 -1.08 0.00 0.00 175.30 175.62 2jr3 n GLY 9 N 4.02 0.77 0.00 0.00 0.00 0.94 -4.81 105.19 106.10 2jr3 n GLY 9 Ca 0.16 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.44 2jr3 n GLY 9 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2jr3 n SER 10 N 1.66 4.76 0.00 1.61 7.64 -1.09 -5.04 113.62 123.15 2jr3 n SER 10 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2jr3 n SER 10 Cb 0.50 0.43 0.00 0.00 -1.01 0.00 0.00 64.21 64.13 2jr3 n SER 10 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jr3 n GLY 11 N 3.00 -0.71 0.11 0.23 0.00 -1.26 -4.99 105.19 101.57 2jr3 n GLY 11 Ca 0.00 0.33 0.08 0.00 0.00 0.00 0.00 46.02 46.43 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 -0.08 -0.48 3.72 -0.02 0.00 -1.26 -4.89 105.19 102.17 2jr3 n GLY 12 Ca 0.00 -0.50 -0.40 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.51 3.58 0.00 1.61 0.52 -1.26 -0.09 118.94 120.79 2jr3 s TRP 13 Ca 0.09 1.26 0.00 0.00 0.02 0.00 0.00 56.10 57.47 2jr3 s TRP 13 Cb 0.14 -2.81 0.00 0.00 -1.15 0.00 0.00 33.47 29.64 2jr3 s TRP 13 CO 0.65 0.08 0.00 0.41 0.02 0.00 0.00 176.95 178.12 2jr3 n GLY 14 N 3.10 -3.69 0.14 0.98 0.00 -1.25 -0.20 105.19 104.27 2jr3 n GLY 14 Ca -0.01 -1.22 -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 -0.24 -0.71 1.61 0.13 -1.96 0.27 132.00 131.10 2jr3 h PRO 15 Ca 0.00 0.02 0.22 0.00 -0.87 0.00 0.00 66.00 65.37 2jr3 h PRO 15 Cb 0.00 0.05 -0.30 0.00 0.13 0.00 0.00 31.00 30.89 2jr3 h PRO 15 CO 0.00 0.16 0.60 0.00 -0.23 0.00 0.00 178.00 178.53 2jr3 s LEU 17 N 1.57 2.05 0.03 0.00 2.96 0.20 -4.98 118.68 120.51 2jr3 s LEU 17 Ca -0.04 -0.33 -0.30 0.00 -0.22 0.00 0.00 54.13 53.23 2jr3 s LEU 17 Cb -0.02 -0.89 -0.06 0.00 0.50 0.00 0.00 46.19 45.72 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 -0.49 4.28 0.67 0.98 0.04 -1.26 0.81 135.00 140.03 2jr3 s PRO 18 Ca 0.07 2.02 0.40 0.00 0.04 0.00 0.00 61.00 63.53 2jr3 s PRO 18 Cb -0.07 -3.53 2.17 0.00 0.04 0.00 0.00 34.50 33.11 2jr3 s PRO 18 CO -0.00 -0.57 2.22 0.82 0.04 0.00 0.00 177.00 179.51 2jr3 h ILE 19 N 4.80 0.00 -0.07 0.56 2.04 -1.87 -0.87 117.51 122.12 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 0.89 -0.00 0.00 -0.74 0.00 0.00 36.82 38.15 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 0.33 -0.01 1.67 3.04 -1.90 -0.65 116.25 118.74 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 0.23 0.91 0.00 0.00 -2.01 0.00 0.00 31.29 30.42 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 -3.56 1.25 -4.25 3.17 2.03 -0.34 -5.05 116.55 109.80 2jr3 n ASP 21 Ca -0.01 -1.13 -0.36 0.00 0.52 0.00 0.00 54.79 53.81 2jr3 n ASP 21 Cb 0.20 0.27 0.06 0.00 -0.72 0.00 0.00 41.12 40.93 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 -0.01 -2.63 0.00 -2.67 7.94 -0.25 -4.94 117.00 114.44 2jr3 n LEU 22 Ca 0.03 0.39 0.00 0.00 -1.11 0.00 0.00 56.01 55.33 2jr3 n LEU 22 Cb 0.16 -0.99 0.00 0.00 0.53 0.00 0.00 43.42 43.12 2jr3 n LEU 22 CO 0.07 -4.57 -0.03 -0.11 -1.11 0.00 0.00 177.39 171.64 2jr3 n LEU 23 N 1.31 0.00 -5.00 -1.96 0.00 -1.26 -5.06 117.00 105.02 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 0.03 0.00 0.00 0.00 0.00 43.42 43.98 2jr3 n LEU 23 CO 0.52 0.00 0.24 0.00 0.00 0.00 0.00 177.39 178.15 2jr3 n ILE 25 N -2.04 0.00 0.38 0.00 5.41 -1.26 -4.71 119.36 117.14 2jr3 n ILE 25 Ca 0.11 0.00 0.05 0.00 1.00 0.00 0.00 62.75 63.90 2jr3 n ILE 25 Cb 0.61 -0.48 0.19 0.00 -0.71 0.00 0.00 39.64 39.25 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 -2.10 1.00 -0.05 1.39 3.14 -1.26 -4.93 118.33 115.51 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 0.04 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 -2.03 -5.05 1.45 1.44 -1.26 -4.91 115.22 105.32 2jr3 n HIS 27 Ca 0.14 -0.11 -0.30 0.00 -2.01 0.00 0.00 57.72 55.44 2jr3 n HIS 27 Cb 0.55 -0.22 -0.15 0.00 0.12 0.00 0.00 29.99 30.29 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 -1.07 2.06 -0.30 0.61 1.01 0.22 -5.00 120.40 117.94 2jr3 s VAL 28 Ca 0.10 -1.25 0.17 0.00 0.00 0.00 0.00 61.98 61.00 2jr3 s VAL 28 Cb -0.02 -1.74 0.48 0.00 0.00 0.00 0.00 36.38 35.10 2jr3 s VAL 28 CO 0.08 0.44 1.09 0.35 0.00 0.00 0.00 175.10 177.06 2jr3 n THR 29 N 2.06 1.54 -4.54 3.92 -2.24 -1.26 0.28 114.28 114.04 2jr3 n THR 29 Ca -0.16 -3.37 -0.34 0.00 -2.27 0.00 0.00 64.05 57.90 2jr3 n THR 29 Cb 0.52 0.47 -0.11 0.00 -2.10 0.00 0.00 70.33 69.11 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 -3.95 3.90 0.00 2.28 1.01 -1.26 -4.44 120.40 117.94 2jr3 s VAL 30 Ca 0.33 -0.40 0.00 0.00 0.00 0.00 0.00 61.98 61.91 2jr3 s VAL 30 Cb 0.38 -2.61 0.00 0.00 0.00 0.00 0.00 36.38 34.14 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 2.21 2.14 3.71 4.51 0.00 -1.26 -0.40 105.19 116.10 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 -4.54 6.38 -0.73 0.00 0.15 -1.26 -4.95 113.70 108.76 2jr3 s SER 33 Ca 0.59 1.12 -0.26 0.00 0.70 0.00 0.00 55.95 58.11 2jr3 s SER 33 Cb -0.04 -2.33 -0.09 0.00 -1.71 0.00 0.00 66.02 61.85 2jr3 s SER 33 CO 0.38 -0.55 2.26 -0.83 1.20 0.00 0.00 173.24 175.69 2jr3 s GLY 34 N -3.68 -0.42 0.00 9.45 0.00 -1.26 -1.33 107.32 110.07 2jr3 s GLY 34 Ca 0.51 -0.74 0.00 0.00 0.00 0.00 0.00 44.72 44.49 2jr3 s GLY 34 CO 0.40 3.97 0.00 0.61 0.00 0.00 0.00 173.10 178.09 2jr3 n GLY 35 N 6.52 0.00 2.98 0.20 0.00 -1.26 -5.13 105.19 108.51 2jr3 n GLY 35 Ca 0.40 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 -0.84 1.19 0.00 1.61 0.40 -0.45 -3.33 117.98 116.56 2jr3 s PHE 36 Ca 0.00 -0.40 0.00 0.00 -0.60 0.00 0.00 56.93 55.93 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 -0.23 0.00 0.41 0.70 0.00 0.00 175.22 176.10 2jr3 n GLY 37 N 3.82 4.40 3.25 4.36 0.00 0.24 -4.20 105.19 117.06 2jr3 n GLY 37 Ca -0.23 -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 -0.97 1.49 -0.10 0.00 5.12 -1.26 -3.96 116.66 116.97 2jr3 n ARG 40 Ca -0.04 0.29 -0.20 0.00 -1.93 0.00 0.00 57.85 55.97 2jr3 n ARG 40 Cb 0.64 -3.22 -0.10 0.00 -1.16 0.00 0.00 32.46 28.61 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 7.39 0.80 -0.02 0.55 1.08 -0.87 -3.49 117.51 122.95 2jr3 h ILE 41 Ca -0.32 -2.04 0.00 0.00 -0.39 0.00 0.00 64.86 62.10 2jr3 h ILE 41 Cb 1.26 1.95 0.00 0.00 -3.07 0.00 0.00 36.82 36.96 2jr3 h ILE 41 CO 1.05 0.27 0.00 0.61 -0.69 0.00 0.00 178.15 179.39