#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 -0.28 0.63 -2.24 -1.08 -1.26 -5.17 116.67 107.27 2jr3 s ASP 2 Ca 0.00 0.39 -0.11 0.00 -0.52 0.00 0.00 52.55 52.31 2jr3 s ASP 2 Cb 0.00 1.30 -0.03 0.00 -1.46 0.00 0.00 42.92 42.73 2jr3 s ASP 2 CO 0.00 -0.05 1.04 0.42 0.52 0.00 0.00 175.17 177.09 2jr3 s THR 3 N 2.10 4.52 0.64 1.71 -4.23 -1.26 -5.07 115.64 114.04 2jr3 s THR 3 Ca -0.02 0.84 -0.11 0.00 -1.18 0.00 0.00 61.69 61.23 2jr3 s THR 3 Cb -0.03 -3.74 0.16 0.00 1.34 0.00 0.00 72.50 70.23 2jr3 s THR 3 CO -0.16 -1.04 0.57 -0.81 -0.54 0.00 0.00 174.62 172.63 2jr3 n PRO 4 N -2.77 -2.13 -1.33 3.99 -0.04 -1.26 -4.86 135.00 126.60 2jr3 n PRO 4 Ca 0.06 -0.91 -0.38 0.00 -0.04 0.00 0.00 63.50 62.23 2jr3 n PRO 4 Cb 0.54 -0.85 -0.03 0.00 -0.04 0.00 0.00 33.50 33.12 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 -3.97 8.67 -1.58 3.54 2.88 -1.26 -4.88 113.62 117.01 2jr3 n SER 5 Ca 0.08 -2.60 0.00 0.00 -1.33 0.00 0.00 58.87 55.02 2jr3 n SER 5 Cb 0.31 -1.55 0.00 0.00 -0.75 0.00 0.00 64.21 62.22 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 3.46 0.00 -3.65 -3.46 7.64 -1.26 -5.15 113.62 111.21 2jr3 n SER 6 Ca 0.77 -0.69 -0.03 0.00 1.01 0.00 0.00 58.87 59.94 2jr3 n SER 6 Cb 0.25 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.38 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 -0.78 0.07 -0.12 1.43 3.52 -1.26 -4.87 118.95 116.94 2jr3 s ARG 7 Ca 0.00 0.07 -0.37 0.00 -0.13 0.00 0.00 55.73 55.30 2jr3 s ARG 7 Cb 0.00 0.04 -0.14 0.00 -1.56 0.00 0.00 34.95 33.28 2jr3 s ARG 7 CO 0.00 -0.01 1.72 0.00 -0.81 0.00 0.00 175.30 176.20 2jr3 n GLY 9 N 3.97 0.07 0.00 0.00 0.00 1.00 -4.85 105.19 105.37 2jr3 n GLY 9 Ca 0.23 -0.49 0.01 0.00 0.00 0.00 0.00 46.02 45.77 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 0.25 1.79 0.00 1.61 2.88 0.25 -5.01 113.62 115.38 2jr3 n SER 10 Ca -0.08 -0.34 0.00 0.00 -1.33 0.00 0.00 58.87 57.12 2jr3 n SER 10 Cb 0.57 1.04 0.00 0.00 -0.75 0.00 0.00 64.21 65.07 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 1.56 -1.26 0.09 0.46 0.00 -1.26 -4.94 105.19 99.84 2jr3 n GLY 11 Ca 0.00 0.52 0.06 0.00 0.00 0.00 0.00 46.02 46.60 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 -0.30 -0.12 3.75 -0.02 0.00 -1.26 -4.94 105.19 102.30 2jr3 n GLY 12 Ca 0.00 -0.35 -0.39 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.96 3.70 0.00 1.61 0.52 -1.26 -1.04 118.94 120.50 2jr3 s TRP 13 Ca 0.06 1.34 0.00 0.00 0.02 0.00 0.00 56.10 57.52 2jr3 s TRP 13 Cb 0.09 -2.74 0.00 0.00 -1.15 0.00 0.00 33.47 29.68 2jr3 s TRP 13 CO 0.44 0.28 0.00 0.41 0.02 0.00 0.00 176.95 178.10 2jr3 n GLY 14 N 2.50 -3.66 0.17 0.98 0.00 -1.26 -0.00 105.19 103.92 2jr3 n GLY 14 Ca -0.04 -1.24 -0.12 0.00 0.00 0.00 0.00 46.02 44.62 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 -0.32 -0.87 1.61 0.13 -1.95 0.26 132.00 130.86 2jr3 h PRO 15 Ca 0.00 0.02 0.20 0.00 -0.87 0.00 0.00 66.00 65.35 2jr3 h PRO 15 Cb 0.00 0.07 -0.28 0.00 0.13 0.00 0.00 31.00 30.92 2jr3 h PRO 15 CO 0.00 0.05 0.49 0.00 -0.23 0.00 0.00 178.00 178.31 2jr3 s LEU 17 N 1.72 2.05 0.03 0.00 2.96 0.17 -4.98 118.68 120.64 2jr3 s LEU 17 Ca -0.05 -0.33 -0.30 0.00 -0.22 0.00 0.00 54.13 53.23 2jr3 s LEU 17 Cb -0.03 -0.84 -0.06 0.00 0.50 0.00 0.00 46.19 45.76 2jr3 s LEU 17 CO -0.14 0.19 1.42 -2.16 -1.32 0.00 0.00 176.35 174.34 2jr3 s PRO 18 N -0.51 4.28 0.66 0.98 0.04 -1.26 0.81 135.00 140.00 2jr3 s PRO 18 Ca 0.06 2.03 0.38 0.00 0.04 0.00 0.00 61.00 63.51 2jr3 s PRO 18 Cb -0.07 -3.50 2.09 0.00 0.04 0.00 0.00 34.50 33.06 2jr3 s PRO 18 CO -0.00 -0.56 2.19 0.82 0.04 0.00 0.00 177.00 179.49 2jr3 h ILE 19 N 4.76 0.04 -0.04 0.56 2.04 -1.87 -0.61 117.51 122.39 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 0.87 -0.00 0.00 -0.74 0.00 0.00 36.82 38.13 2jr3 h ILE 19 CO 0.90 0.00 0.07 1.62 0.00 0.00 0.00 178.15 180.73 2jr3 h VAL 20 N 0.00 0.33 -0.01 1.67 3.04 -1.90 -0.81 116.25 118.57 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 0.28 0.94 0.00 0.00 -2.01 0.00 0.00 31.29 30.50 2jr3 h VAL 20 CO -0.00 0.00 -0.08 0.47 -1.01 0.00 0.00 177.57 176.95 2jr3 n ASP 21 N -3.56 1.29 -4.21 3.17 9.92 -0.25 -5.05 116.55 117.86 2jr3 n ASP 21 Ca -0.02 -1.15 -0.35 0.00 -0.53 0.00 0.00 54.79 52.74 2jr3 n ASP 21 Cb 0.15 0.26 0.07 0.00 -0.64 0.00 0.00 41.12 40.97 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 0.01 -3.18 0.00 0.64 7.94 -0.31 -4.94 117.00 117.16 2jr3 n LEU 22 Ca 0.04 0.29 0.00 0.00 -1.11 0.00 0.00 56.01 55.23 2jr3 n LEU 22 Cb 0.17 -0.97 0.00 0.00 0.53 0.00 0.00 43.42 43.15 2jr3 n LEU 22 CO 0.07 -4.84 -0.03 -0.11 -1.11 0.00 0.00 177.39 171.37 2jr3 n LEU 23 N 1.33 0.00 -4.89 -1.96 0.00 -1.26 -5.07 117.00 105.15 2jr3 n LEU 23 Ca 0.03 -0.03 -0.21 0.00 0.00 0.00 0.00 56.01 55.79 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 0.02 0.00 0.00 0.00 0.00 177.39 177.93 2jr3 n ILE 25 N -1.60 0.07 0.41 0.00 5.41 -1.26 -4.65 119.36 117.75 2jr3 n ILE 25 Ca 0.04 -0.03 0.05 0.00 1.00 0.00 0.00 62.75 63.80 2jr3 n ILE 25 Cb 0.62 -0.64 0.19 0.00 -0.71 0.00 0.00 39.64 39.10 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 0.96 -0.05 1.39 3.14 -1.26 -4.93 118.33 115.16 2jr3 n VAL 26 Ca -0.02 -0.61 -0.05 0.00 -2.96 0.00 0.00 64.34 60.71 2jr3 n VAL 26 Cb 0.53 -0.08 0.04 0.00 -1.06 0.00 0.00 33.84 33.27 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 0.45 -2.01 -5.23 1.45 1.44 -1.26 -4.85 115.22 105.21 2jr3 n HIS 27 Ca 0.13 -0.10 -0.31 0.00 -2.01 0.00 0.00 57.72 55.43 2jr3 n HIS 27 Cb 0.53 -0.22 -0.16 0.00 0.12 0.00 0.00 29.99 30.27 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 2.16 -0.19 0.61 1.01 -0.58 -4.96 120.40 117.39 2jr3 s VAL 28 Ca 0.10 -1.10 0.19 0.00 0.00 0.00 0.00 61.98 61.16 2jr3 s VAL 28 Cb -0.02 -1.76 0.46 0.00 0.00 0.00 0.00 36.38 35.06 2jr3 s VAL 28 CO 0.08 0.56 1.16 0.35 0.00 0.00 0.00 175.10 177.25 2jr3 n THR 29 N 2.35 1.33 -4.08 3.92 -2.24 -1.26 0.06 114.28 114.36 2jr3 n THR 29 Ca -0.16 -2.72 -0.35 0.00 -2.27 0.00 0.00 64.05 58.55 2jr3 n THR 29 Cb 0.51 0.47 -0.07 0.00 -2.10 0.00 0.00 70.33 69.14 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 -2.84 4.96 0.00 2.28 1.01 -1.26 -4.32 120.40 120.23 2jr3 s VAL 30 Ca 0.36 -0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.23 2jr3 s VAL 30 Cb 0.37 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.57 2jr3 s VAL 30 CO -0.06 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.18 2jr3 n GLY 31 N 1.76 2.36 3.35 4.51 0.00 -1.26 -0.04 105.19 115.87 2jr3 n GLY 31 Ca -0.17 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.68 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 -4.15 6.82 -0.44 0.00 0.01 -1.26 -4.97 113.70 109.72 2jr3 s SER 33 Ca 0.53 1.13 -0.32 0.00 1.31 0.00 0.00 55.95 58.61 2jr3 s SER 33 Cb -0.04 -2.31 -0.11 0.00 0.21 0.00 0.00 66.02 63.77 2jr3 s SER 33 CO 0.34 0.02 2.31 0.61 0.41 0.00 0.00 173.24 176.93 2jr3 n GLY 34 N 0.47 0.39 0.00 3.44 0.00 -1.26 -0.76 105.19 107.47 2jr3 n GLY 34 Ca -0.03 0.87 0.00 0.00 0.00 0.00 0.00 46.02 46.87 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 6.31 1.21 2.99 -0.02 0.00 -1.26 -5.11 105.19 109.31 2jr3 n GLY 35 Ca 0.41 0.00 -0.22 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 -1.80 1.17 0.04 1.61 0.40 0.06 -3.44 117.98 116.01 2jr3 s PHE 36 Ca 0.00 -0.38 0.00 0.00 -0.60 0.00 0.00 56.93 55.95 2jr3 s PHE 36 Cb 0.00 -0.88 -0.00 0.00 0.51 0.00 0.00 43.02 42.65 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 3.73 4.13 3.03 4.36 0.00 0.24 -4.24 105.19 116.43 2jr3 n GLY 37 Ca -0.22 -2.18 -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 -0.80 1.26 -0.10 0.00 5.12 -1.26 -4.01 116.66 116.87 2jr3 n ARG 40 Ca -0.05 0.24 -0.19 0.00 -1.93 0.00 0.00 57.85 55.92 2jr3 n ARG 40 Cb 0.60 -3.00 -0.09 0.00 -1.16 0.00 0.00 32.46 28.82 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 7.70 1.51 1.16 0.55 2.08 -0.21 -5.02 119.36 127.14 2jr3 n ILE 41 Ca 0.38 0.00 0.13 0.00 0.56 0.00 0.00 62.75 63.82 2jr3 n ILE 41 Cb 0.40 -2.11 0.24 0.00 -0.75 0.00 0.00 39.64 37.42 2jr3 n ILE 41 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72