#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 3.42 -0.45 -1.12 -4.77 -1.26 -5.07 116.67 107.42 2jr3 s ASP 2 Ca 0.00 -0.95 0.02 0.00 -3.30 0.00 0.00 52.55 48.33 2jr3 s ASP 2 Cb 0.00 -1.11 0.15 0.00 -1.09 0.00 0.00 42.92 40.87 2jr3 s ASP 2 CO 0.00 -0.20 0.28 -0.89 0.70 0.00 0.00 175.17 175.06 2jr3 s THR 3 N 1.47 1.21 0.45 2.11 2.01 -1.26 -5.01 115.64 116.62 2jr3 s THR 3 Ca -0.03 -2.66 -0.07 0.00 0.31 0.00 0.00 61.69 59.24 2jr3 s THR 3 Cb -0.17 -1.84 0.11 0.00 0.01 0.00 0.00 72.50 70.61 2jr3 s THR 3 CO -0.07 -0.98 0.40 -0.81 -0.69 0.00 0.00 174.62 172.46 2jr3 n PRO 4 N 3.31 -1.79 -1.41 4.92 -0.04 -1.26 -4.84 135.00 133.88 2jr3 n PRO 4 Ca 0.14 -0.63 -0.39 0.00 -0.04 0.00 0.00 63.50 62.57 2jr3 n PRO 4 Cb 0.37 -0.59 -0.02 0.00 -0.04 0.00 0.00 33.50 33.22 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 -3.68 4.96 -1.38 3.54 7.64 -1.26 -4.88 113.62 118.56 2jr3 n SER 5 Ca 0.05 -2.69 0.00 0.00 1.01 0.00 0.00 58.87 57.25 2jr3 n SER 5 Cb 0.21 -1.47 0.00 0.00 -1.01 0.00 0.00 64.21 61.94 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 5.52 0.10 0.00 6.43 7.64 -1.26 -5.13 113.62 126.91 2jr3 n SER 6 Ca 0.57 -0.69 0.00 0.00 1.01 0.00 0.00 58.87 59.76 2jr3 n SER 6 Cb 0.32 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.52 2jr3 n SER 6 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2jr3 n ARG 7 N -0.66 0.00 -1.68 1.43 0.63 -1.26 -4.86 116.66 110.26 2jr3 n ARG 7 Ca 0.00 0.00 -0.52 0.00 -0.92 0.00 0.00 57.85 56.41 2jr3 n ARG 7 Cb 0.00 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 32.85 2jr3 n ARG 7 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2jr3 n GLY 9 N 4.10 0.18 0.00 0.00 0.00 0.12 -4.83 105.19 104.76 2jr3 n GLY 9 Ca 0.23 -0.63 0.02 0.00 0.00 0.00 0.00 46.02 45.64 2jr3 n GLY 9 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jr3 n SER 10 N 0.78 3.36 0.00 1.61 3.41 0.31 -5.02 113.62 118.07 2jr3 n SER 10 Ca -0.08 -0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.42 2jr3 n SER 10 Cb 0.52 1.13 0.00 0.00 -0.26 0.00 0.00 64.21 65.60 2jr3 n SER 10 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jr3 n GLY 11 N 2.05 -0.75 0.11 5.00 0.00 -1.26 -4.95 105.19 105.39 2jr3 n GLY 11 Ca -0.00 0.39 0.05 0.00 0.00 0.00 0.00 46.02 46.46 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 -0.06 -0.07 3.75 -0.02 0.00 -1.26 -4.97 105.19 102.56 2jr3 n GLY 12 Ca 0.00 -0.32 -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 -1.82 3.75 0.06 1.61 0.52 -1.26 -1.65 118.94 120.15 2jr3 s TRP 13 Ca 0.06 1.43 -0.01 0.00 0.02 0.00 0.00 56.10 57.61 2jr3 s TRP 13 Cb 0.09 -2.76 0.01 0.00 -1.15 0.00 0.00 33.47 29.66 2jr3 s TRP 13 CO 0.39 0.33 0.03 0.41 0.02 0.00 0.00 176.95 178.13 2jr3 n GLY 14 N 2.29 -3.59 0.14 0.98 0.00 -1.26 -0.05 105.19 103.70 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 -0.24 -0.71 1.61 0.13 -1.95 0.33 132.00 131.17 2jr3 h PRO 15 Ca -0.02 0.02 0.22 0.00 -0.87 0.00 0.00 66.00 65.35 2jr3 h PRO 15 Cb 0.05 0.06 -0.30 0.00 0.13 0.00 0.00 31.00 30.94 2jr3 h PRO 15 CO 0.01 0.15 0.61 0.00 -0.23 0.00 0.00 178.00 178.54 2jr3 s LEU 17 N 1.56 2.05 0.02 0.00 2.96 0.20 -4.98 118.68 120.49 2jr3 s LEU 17 Ca -0.04 -0.34 -0.30 0.00 -0.22 0.00 0.00 54.13 53.22 2jr3 s LEU 17 Cb -0.02 -0.92 -0.06 0.00 0.50 0.00 0.00 46.19 45.69 2jr3 s LEU 17 CO -0.13 0.21 1.43 -2.16 -1.32 0.00 0.00 176.35 174.38 2jr3 s PRO 18 N -0.50 4.28 0.66 0.98 0.04 -1.26 0.80 135.00 140.00 2jr3 s PRO 18 Ca 0.07 2.03 0.37 0.00 0.04 0.00 0.00 61.00 63.51 2jr3 s PRO 18 Cb -0.07 -3.54 2.05 0.00 0.04 0.00 0.00 34.50 32.98 2jr3 s PRO 18 CO -0.00 -0.58 2.18 0.82 0.04 0.00 0.00 177.00 179.46 2jr3 h ILE 19 N 4.82 0.07 -0.05 0.56 2.04 -1.87 -0.55 117.51 122.54 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 0.86 -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 0.00 178.15 180.74 2jr3 h VAL 20 N 0.00 0.39 -0.01 1.67 3.04 -1.90 -0.85 116.25 118.59 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 0.30 0.94 0.00 0.00 -2.01 0.00 0.00 31.29 30.52 2jr3 h VAL 20 CO -0.00 0.00 -0.12 -0.67 -1.01 0.00 0.00 177.57 175.77 2jr3 n ASP 21 N -3.65 1.33 -4.26 3.17 -0.08 -0.23 -5.05 116.55 107.78 2jr3 n ASP 21 Ca -0.02 -1.16 -0.36 0.00 -1.51 0.00 0.00 54.79 51.74 2jr3 n ASP 21 Cb 0.15 0.31 0.06 0.00 2.34 0.00 0.00 41.12 43.99 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 -0.02 -2.41 0.00 -2.67 7.94 -0.33 -4.94 117.00 114.58 2jr3 n LEU 22 Ca 0.04 0.40 0.00 0.00 -1.11 0.00 0.00 56.01 55.34 2jr3 n LEU 22 Cb 0.20 -1.01 0.00 0.00 0.53 0.00 0.00 43.42 43.14 2jr3 n LEU 22 CO 0.09 -4.48 -0.04 -0.11 -1.11 0.00 0.00 177.39 171.74 2jr3 n LEU 23 N 1.16 0.00 -5.00 -1.96 0.00 -1.26 -5.06 117.00 104.87 2jr3 n LEU 23 Ca 0.05 -0.02 -0.20 0.00 0.00 0.00 0.00 56.01 55.84 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 0.23 0.00 0.00 0.00 0.00 177.39 178.14 2jr3 n ILE 25 N -2.03 0.00 0.37 0.00 5.41 -1.26 -4.70 119.36 117.16 2jr3 n ILE 25 Ca 0.10 0.00 0.05 0.00 1.00 0.00 0.00 62.75 63.90 2jr3 n ILE 25 Cb 0.61 -0.54 0.19 0.00 -0.71 0.00 0.00 39.64 39.20 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 -2.09 1.01 -0.05 1.39 3.14 -1.26 -4.93 118.33 115.54 2jr3 n VAL 26 Ca 0.00 -0.63 -0.05 0.00 -2.96 0.00 0.00 64.34 60.71 2jr3 n VAL 26 Cb 0.40 -0.09 0.04 0.00 -1.06 0.00 0.00 33.84 33.13 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 -2.02 -5.03 1.45 1.44 -1.26 -4.87 115.22 105.39 2jr3 n HIS 27 Ca 0.14 -0.11 -0.29 0.00 -2.01 0.00 0.00 57.72 55.45 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 1.92 -0.30 0.61 1.01 0.20 -4.99 120.40 117.78 2jr3 s VAL 28 Ca 0.10 -1.15 0.16 0.00 0.00 0.00 0.00 61.98 61.09 2jr3 s VAL 28 Cb -0.02 -1.62 0.48 0.00 0.00 0.00 0.00 36.38 35.22 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 2.19 1.62 -4.64 3.92 -2.24 -1.26 0.30 114.28 114.17 2jr3 n THR 29 Ca -0.16 -3.49 -0.34 0.00 -2.27 0.00 0.00 64.05 57.79 2jr3 n THR 29 Cb 0.52 0.30 -0.11 0.00 -2.10 0.00 0.00 70.33 68.94 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 3.64 0.00 2.28 1.01 -1.26 -4.47 120.40 117.56 2jr3 s VAL 30 Ca 0.35 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.83 2jr3 s VAL 30 Cb 0.38 -2.49 0.00 0.00 0.00 0.00 0.00 36.38 34.27 2jr3 s VAL 30 CO -0.02 0.59 0.00 0.61 0.00 0.00 0.00 175.10 176.28 2jr3 n GLY 31 N 2.30 2.19 3.55 4.51 0.00 -1.26 -0.67 105.19 115.81 2jr3 n GLY 31 Ca -0.18 0.00 -0.19 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 -4.40 6.38 -0.74 0.00 0.15 -1.26 -4.94 113.70 108.89 2jr3 s SER 33 Ca 0.57 1.19 -0.26 0.00 0.70 0.00 0.00 55.95 58.15 2jr3 s SER 33 Cb -0.04 -2.36 -0.09 0.00 -1.71 0.00 0.00 66.02 61.82 2jr3 s SER 33 CO 0.37 -0.59 2.25 -0.83 1.20 0.00 0.00 173.24 175.64 2jr3 s GLY 34 N -3.69 -0.42 0.00 9.45 0.00 -1.26 -1.33 107.32 110.07 2jr3 s GLY 34 Ca 0.52 -0.78 0.00 0.00 0.00 0.00 0.00 44.72 44.46 2jr3 s GLY 34 CO 0.41 3.97 0.00 0.61 0.00 0.00 0.00 173.10 178.09 2jr3 n GLY 35 N 6.55 -0.04 2.99 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 -0.87 1.18 0.00 1.61 0.40 -0.44 -3.33 117.98 116.53 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 -0.22 0.00 0.41 0.70 0.00 0.00 175.22 176.11 2jr3 n GLY 37 N 3.75 4.38 3.23 4.36 0.00 0.24 -4.20 105.19 116.94 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 s ARG 40 N -3.77 3.02 -0.22 0.00 1.81 -1.26 -3.98 118.95 114.56 2jr3 s ARG 40 Ca 0.36 1.93 -0.17 0.00 -1.72 0.00 0.00 55.73 56.13 2jr3 s ARG 40 Cb 0.01 -4.39 -0.14 0.00 -0.45 0.00 0.00 34.95 29.99 2jr3 s ARG 40 CO 0.20 -2.23 -0.07 -0.89 -0.68 0.00 0.00 175.30 171.64 2jr3 n ILE 41 N 7.78 1.52 -1.79 1.52 5.41 -0.66 -5.02 119.36 128.12 2jr3 n ILE 41 Ca 0.30 -0.10 0.00 0.00 1.00 0.00 0.00 62.75 63.95 2jr3 n ILE 41 Cb 0.46 -2.06 0.00 0.00 -0.71 0.00 0.00 39.64 37.33 2jr3 n ILE 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16