#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 -1.33 -4.06 -1.12 2.03 -1.26 -5.06 116.55 105.75 2jr3 n ASP 2 Ca 0.00 -3.41 -0.35 0.00 0.52 0.00 0.00 54.79 51.55 2jr3 n ASP 2 Cb 0.00 1.03 -0.10 0.00 -0.72 0.00 0.00 41.12 41.34 2jr3 n ASP 2 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2jr3 s THR 3 N -0.56 3.66 0.13 5.18 2.01 -1.26 -5.04 115.64 119.76 2jr3 s THR 3 Ca 0.29 -3.35 -0.02 0.00 0.31 0.00 0.00 61.69 58.92 2jr3 s THR 3 Cb 0.30 -3.37 0.03 0.00 0.01 0.00 0.00 72.50 69.47 2jr3 s THR 3 CO -0.08 -0.93 0.12 -0.81 -0.69 0.00 0.00 174.62 172.22 2jr3 n PRO 4 N 3.01 -1.25 -1.48 4.92 -0.04 -1.26 -4.84 135.00 134.06 2jr3 n PRO 4 Ca 0.12 -0.19 -0.41 0.00 -0.04 0.00 0.00 63.50 62.98 2jr3 n PRO 4 Cb 0.37 -0.18 -0.02 0.00 -0.04 0.00 0.00 33.50 33.63 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 -3.20 4.25 -1.33 3.54 7.64 -1.26 -4.87 113.62 118.39 2jr3 n SER 5 Ca 0.02 -2.74 0.00 0.00 1.01 0.00 0.00 58.87 57.16 2jr3 n SER 5 Cb 0.06 -1.48 0.00 0.00 -1.01 0.00 0.00 64.21 61.78 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 5.98 0.59 -3.64 6.43 7.64 -1.26 -5.14 113.62 124.22 2jr3 n SER 6 Ca 0.55 -0.66 -0.02 0.00 1.01 0.00 0.00 58.87 59.74 2jr3 n SER 6 Cb 0.36 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.51 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 -0.52 0.08 0.00 1.43 3.52 -1.26 -4.85 118.95 117.35 2jr3 s ARG 7 Ca 0.00 0.03 -0.31 0.00 -0.13 0.00 0.00 55.73 55.31 2jr3 s ARG 7 Cb 0.00 0.04 -0.10 0.00 -1.56 0.00 0.00 34.95 33.33 2jr3 s ARG 7 CO 0.00 -0.02 1.94 0.00 -0.81 0.00 0.00 175.30 176.40 2jr3 n GLY 9 N 4.48 0.23 0.00 0.00 0.00 0.11 -4.82 105.19 105.19 2jr3 n GLY 9 Ca 0.21 -0.70 0.01 0.00 0.00 0.00 0.00 46.02 45.54 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 1.10 2.73 0.00 1.61 2.88 -0.40 -5.02 113.62 116.52 2jr3 n SER 10 Ca -0.06 -0.22 0.00 0.00 -1.33 0.00 0.00 58.87 57.27 2jr3 n SER 10 Cb 0.50 1.08 0.00 0.00 -0.75 0.00 0.00 64.21 65.04 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 1.85 -0.76 0.11 0.46 0.00 -1.26 -4.95 105.19 100.65 2jr3 n GLY 11 Ca -0.00 0.41 0.06 0.00 0.00 0.00 0.00 46.02 46.49 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 -0.02 -0.09 3.75 -0.02 0.00 -1.26 -4.95 105.19 102.60 2jr3 n GLY 12 Ca 0.00 -0.33 -0.40 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.84 3.74 0.01 1.61 0.52 -1.26 -1.93 118.94 119.79 2jr3 s TRP 13 Ca 0.07 1.42 -0.00 0.00 0.02 0.00 0.00 56.10 57.60 2jr3 s TRP 13 Cb 0.09 -2.75 0.00 0.00 -1.15 0.00 0.00 33.47 29.66 2jr3 s TRP 13 CO 0.40 0.33 0.01 0.41 0.02 0.00 0.00 176.95 178.11 2jr3 n GLY 14 N 2.29 -3.58 0.16 0.98 0.00 -1.26 -0.08 105.19 103.71 2jr3 n GLY 14 Ca -0.04 -1.18 -0.12 0.00 0.00 0.00 0.00 46.02 44.68 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 -0.30 -0.76 1.61 0.13 -1.95 0.32 132.00 131.05 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 0.01 0.07 -0.30 0.00 0.13 0.00 0.00 31.00 30.91 2jr3 h PRO 15 CO 0.00 0.07 0.60 0.00 -0.23 0.00 0.00 178.00 178.44 2jr3 s LEU 17 N 1.56 2.04 0.02 0.00 2.96 0.20 -4.98 118.68 120.48 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 -0.87 -0.06 0.00 0.50 0.00 0.00 46.19 45.74 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 -0.45 4.28 0.66 0.98 0.04 -1.26 0.87 135.00 140.11 2jr3 s PRO 18 Ca 0.06 2.02 0.37 0.00 0.04 0.00 0.00 61.00 63.49 2jr3 s PRO 18 Cb -0.07 -3.54 2.02 0.00 0.04 0.00 0.00 34.50 32.96 2jr3 s PRO 18 CO -0.01 -0.58 2.16 0.82 0.04 0.00 0.00 177.00 179.44 2jr3 h ILE 19 N 4.82 0.07 -0.05 0.56 2.04 -1.87 -0.58 117.51 122.50 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 0.85 -0.00 0.00 -0.74 0.00 0.00 36.82 38.11 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 0.25 -0.01 1.67 3.04 -1.90 -0.45 116.25 118.86 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 0.32 0.90 0.00 0.00 -2.01 0.00 0.00 31.29 30.51 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 -3.43 1.17 -4.29 3.17 2.03 -0.24 -5.05 116.55 109.93 2jr3 n ASP 21 Ca -0.02 -1.09 -0.36 0.00 0.52 0.00 0.00 54.79 53.85 2jr3 n ASP 21 Cb 0.19 0.33 0.06 0.00 -0.72 0.00 0.00 41.12 40.98 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 -2.11 0.00 -2.67 7.94 -0.18 -4.93 117.00 114.94 2jr3 n LEU 22 Ca 0.03 0.44 0.00 0.00 -1.11 0.00 0.00 56.01 55.38 2jr3 n LEU 22 Cb 0.15 -1.02 0.00 0.00 0.53 0.00 0.00 43.42 43.08 2jr3 n LEU 22 CO 0.07 -4.34 -0.03 -0.11 -1.11 0.00 0.00 177.39 171.87 2jr3 n LEU 23 N 1.12 0.00 -5.01 -1.96 0.00 -1.26 -5.06 117.00 104.82 2jr3 n LEU 23 Ca 0.06 -0.02 -0.19 0.00 0.00 0.00 0.00 56.01 55.85 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 -2.09 0.00 0.41 0.00 5.41 -1.26 -4.70 119.36 117.13 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 -0.57 0.19 0.00 -0.71 0.00 0.00 39.64 39.16 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 0.97 -0.07 1.39 0.31 -1.26 -4.93 118.33 112.71 2jr3 n VAL 26 Ca 0.00 -0.61 -0.06 0.00 -0.01 0.00 0.00 64.34 63.66 2jr3 n VAL 26 Cb 0.39 -0.08 0.06 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 -2.08 -4.93 3.52 1.44 -1.26 -4.81 115.22 107.55 2jr3 n HIS 27 Ca 0.13 -0.13 -0.28 0.00 -2.01 0.00 0.00 57.72 55.43 2jr3 n HIS 27 Cb 0.53 -0.29 -0.15 0.00 0.12 0.00 0.00 29.99 30.20 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 -1.12 1.79 -0.31 0.61 1.01 0.39 -4.98 120.40 117.79 2jr3 s VAL 28 Ca 0.13 -1.10 0.16 0.00 0.00 0.00 0.00 61.98 61.17 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 0.11 0.39 1.08 0.35 0.00 0.00 0.00 175.10 177.02 2jr3 n THR 29 N 2.19 1.60 -4.70 3.92 -2.24 -1.26 0.33 114.28 114.13 2jr3 n THR 29 Ca -0.16 -3.51 -0.33 0.00 -2.27 0.00 0.00 64.05 57.77 2jr3 n THR 29 Cb 0.53 0.26 -0.12 0.00 -2.10 0.00 0.00 70.33 68.90 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 -4.03 3.49 0.00 2.28 1.01 -1.26 -4.48 120.40 117.40 2jr3 s VAL 30 Ca 0.35 -0.55 0.00 0.00 0.00 0.00 0.00 61.98 61.77 2jr3 s VAL 30 Cb 0.39 -2.42 0.00 0.00 0.00 0.00 0.00 36.38 34.35 2jr3 s VAL 30 CO -0.02 0.58 0.00 0.61 0.00 0.00 0.00 175.10 176.27 2jr3 n GLY 31 N 2.45 2.06 3.51 4.51 0.00 -1.26 -0.82 105.19 115.64 2jr3 n GLY 31 Ca -0.18 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.66 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 -4.35 6.36 -0.74 0.00 0.01 -1.26 -4.94 113.70 108.77 2jr3 s SER 33 Ca 0.56 1.19 -0.26 0.00 1.31 0.00 0.00 55.95 58.75 2jr3 s SER 33 Cb -0.04 -2.36 -0.09 0.00 0.21 0.00 0.00 66.02 63.74 2jr3 s SER 33 CO 0.36 -0.61 2.24 -0.83 0.41 0.00 0.00 173.24 174.81 2jr3 s GLY 34 N -3.77 -0.40 0.00 3.44 0.00 -1.26 -1.33 107.32 104.00 2jr3 s GLY 34 Ca 0.52 -0.81 0.00 0.00 0.00 0.00 0.00 44.72 44.43 2jr3 s GLY 34 CO 0.42 3.95 0.00 0.61 0.00 0.00 0.00 173.10 178.08 2jr3 n GLY 35 N 6.56 -0.02 2.98 0.20 0.00 -1.26 -5.13 105.19 108.52 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 -0.98 1.18 0.00 1.61 0.40 -0.44 -3.28 117.98 116.47 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 -0.90 0.00 0.00 0.51 0.00 0.00 43.02 42.63 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 3.85 4.46 3.22 4.36 0.00 0.25 -4.19 105.19 117.13 2jr3 n GLY 37 Ca -0.24 -2.15 -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 s ARG 40 N -3.78 4.02 -0.14 0.00 1.81 -1.26 -3.98 118.95 115.62 2jr3 s ARG 40 Ca 0.37 2.48 -0.07 0.00 -1.72 0.00 0.00 55.73 56.78 2jr3 s ARG 40 Cb 0.03 -4.16 -0.06 0.00 -0.45 0.00 0.00 34.95 30.30 2jr3 s ARG 40 CO 0.20 -1.09 -0.19 -0.89 -0.68 0.00 0.00 175.30 172.66 2jr3 n ILE 41 N 5.82 0.83 -0.88 1.52 5.41 -0.81 -5.03 119.36 126.21 2jr3 n ILE 41 Ca 0.21 -0.17 0.00 0.00 1.00 0.00 0.00 62.75 63.79 2jr3 n ILE 41 Cb 0.42 -1.71 0.00 0.00 -0.71 0.00 0.00 39.64 37.63 2jr3 n ILE 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16