#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 -7.66 -4.97 1.67 9.92 -1.26 -5.03 116.55 109.22 2jr3 n ASP 2 Ca 0.00 1.20 -0.22 0.00 -0.53 0.00 0.00 54.79 55.24 2jr3 n ASP 2 Cb 0.00 -5.10 -0.02 0.00 -0.64 0.00 0.00 41.12 35.36 2jr3 n ASP 2 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 2jr3 s THR 3 N -1.72 5.26 0.40 -3.53 -4.23 -1.26 -5.12 115.64 105.44 2jr3 s THR 3 Ca 0.04 -0.94 -0.07 0.00 -1.18 0.00 0.00 61.69 59.55 2jr3 s THR 3 Cb -0.01 -3.85 0.10 0.00 1.34 0.00 0.00 72.50 70.08 2jr3 s THR 3 CO 0.74 -0.32 0.35 -0.81 -0.54 0.00 0.00 174.62 174.04 2jr3 n PRO 4 N -1.36 -1.72 -1.26 3.99 -0.04 -1.26 -4.84 135.00 128.52 2jr3 n PRO 4 Ca -0.09 -0.56 -0.37 0.00 -0.04 0.00 0.00 63.50 62.45 2jr3 n PRO 4 Cb 0.57 -0.53 -0.02 0.00 -0.04 0.00 0.00 33.50 33.47 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 -3.61 7.29 -1.39 3.54 7.64 -1.26 -4.86 113.62 120.97 2jr3 n SER 5 Ca 0.05 -2.56 0.00 0.00 1.01 0.00 0.00 58.87 57.36 2jr3 n SER 5 Cb 0.19 -1.48 0.00 0.00 -1.01 0.00 0.00 64.21 61.91 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 4.13 0.52 -3.65 6.43 7.64 -1.26 -5.11 113.62 122.32 2jr3 n SER 6 Ca 0.69 -0.70 -0.02 0.00 1.01 0.00 0.00 58.87 59.85 2jr3 n SER 6 Cb 0.24 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 -0.64 0.01 -0.08 1.43 3.52 -1.26 -4.88 118.95 117.05 2jr3 s ARG 7 Ca 0.00 0.01 -0.36 0.00 -0.13 0.00 0.00 55.73 55.25 2jr3 s ARG 7 Cb 0.00 0.01 -0.13 0.00 -1.56 0.00 0.00 34.95 33.26 2jr3 s ARG 7 CO 0.00 -0.00 1.76 0.00 -0.81 0.00 0.00 175.30 176.25 2jr3 n GLY 9 N 4.05 0.55 0.01 0.00 0.00 0.96 -4.82 105.19 105.94 2jr3 n GLY 9 Ca 0.22 -0.82 0.01 0.00 0.00 0.00 0.00 46.02 45.43 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 1.25 4.20 0.00 1.61 2.88 0.53 -5.02 113.62 119.07 2jr3 n SER 10 Ca -0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.49 2jr3 n SER 10 Cb 0.27 0.95 0.00 0.00 -0.75 0.00 0.00 64.21 64.68 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 2.48 1.41 0.19 0.46 0.00 -1.24 -4.94 105.19 103.55 2jr3 n GLY 11 Ca -0.02 -0.10 0.09 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.47 3.75 -0.02 0.00 -1.26 -4.94 105.19 102.24 2jr3 n GLY 12 Ca 0.00 -0.56 -0.40 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.59 3.72 0.03 1.61 0.52 -1.26 -2.19 118.94 118.78 2jr3 s TRP 13 Ca 0.11 1.39 -0.01 0.00 0.02 0.00 0.00 56.10 57.61 2jr3 s TRP 13 Cb 0.15 -2.76 0.01 0.00 -1.15 0.00 0.00 33.47 29.72 2jr3 s TRP 13 CO 0.68 0.29 0.02 0.41 0.02 0.00 0.00 176.95 178.37 2jr3 n GLY 14 N 2.42 -3.65 0.19 0.98 0.00 -1.26 -0.13 105.19 103.75 2jr3 n GLY 14 Ca -0.04 -1.20 -0.12 0.00 0.00 0.00 0.00 46.02 44.66 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 -0.36 -0.81 1.61 0.13 -1.95 0.27 132.00 130.89 2jr3 h PRO 15 Ca -0.01 0.02 0.20 0.00 -0.87 0.00 0.00 66.00 65.35 2jr3 h PRO 15 Cb 0.03 0.08 -0.28 0.00 0.13 0.00 0.00 31.00 30.96 2jr3 h PRO 15 CO 0.00 -0.01 0.50 0.00 -0.23 0.00 0.00 178.00 178.27 2jr3 s LEU 17 N 1.75 2.04 0.01 0.00 2.96 0.14 -4.97 118.68 120.60 2jr3 s LEU 17 Ca -0.04 -0.31 -0.30 0.00 -0.22 0.00 0.00 54.13 53.26 2jr3 s LEU 17 Cb -0.03 -0.85 -0.06 0.00 0.50 0.00 0.00 46.19 45.76 2jr3 s LEU 17 CO -0.14 0.20 1.44 -2.16 -1.32 0.00 0.00 176.35 174.36 2jr3 s PRO 18 N -0.43 4.27 0.66 0.98 0.04 -1.26 0.82 135.00 140.08 2jr3 s PRO 18 Ca 0.06 2.02 0.40 0.00 0.04 0.00 0.00 61.00 63.52 2jr3 s PRO 18 Cb -0.06 -3.57 2.17 0.00 0.04 0.00 0.00 34.50 33.08 2jr3 s PRO 18 CO -0.01 -0.60 2.22 0.82 0.04 0.00 0.00 177.00 179.48 2jr3 h ILE 19 N 4.89 0.00 -0.06 0.56 2.04 -1.86 -0.90 117.51 122.18 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 1.18 0.89 -0.00 0.00 -0.74 0.00 0.00 36.82 38.15 2jr3 h ILE 19 CO 0.91 0.00 0.10 1.62 0.00 0.00 0.00 178.15 180.78 2jr3 h VAL 20 N 0.00 0.32 -0.01 1.67 3.04 -1.90 -0.60 116.25 118.78 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 0.21 0.91 0.00 0.00 -2.01 0.00 0.00 31.29 30.41 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 -3.54 1.20 -4.26 3.17 2.03 -0.35 -5.05 116.55 109.75 2jr3 n ASP 21 Ca -0.01 -1.10 -0.36 0.00 0.52 0.00 0.00 54.79 53.84 2jr3 n ASP 21 Cb 0.19 0.35 0.07 0.00 -0.72 0.00 0.00 41.12 41.01 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 -0.12 -2.40 0.00 -2.67 7.94 -0.23 -4.94 117.00 114.58 2jr3 n LEU 22 Ca 0.04 0.39 0.00 0.00 -1.11 0.00 0.00 56.01 55.32 2jr3 n LEU 22 Cb 0.17 -1.01 0.00 0.00 0.53 0.00 0.00 43.42 43.11 2jr3 n LEU 22 CO 0.08 -4.48 -0.03 -0.11 -1.11 0.00 0.00 177.39 171.74 2jr3 n LEU 23 N 1.10 0.00 -5.04 -1.96 0.00 -1.26 -5.06 117.00 104.78 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 0.53 0.00 0.07 0.00 0.00 0.00 0.00 43.42 44.01 2jr3 n LEU 23 CO 0.52 0.00 0.38 0.00 0.00 0.00 0.00 177.39 178.28 2jr3 n ILE 25 N -2.31 0.00 0.42 0.00 2.08 -1.26 -4.73 119.36 113.55 2jr3 n ILE 25 Ca 0.16 0.00 0.05 0.00 0.56 0.00 0.00 62.75 63.52 2jr3 n ILE 25 Cb 0.62 -0.43 0.18 0.00 -0.75 0.00 0.00 39.64 39.26 2jr3 n ILE 25 CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63 2jr3 n VAL 26 N -1.80 0.96 -0.08 1.39 0.31 -1.26 -4.11 118.33 113.74 2jr3 n VAL 26 Ca 0.00 -0.60 -0.07 0.00 -0.01 0.00 0.00 64.34 63.66 2jr3 n VAL 26 Cb 0.30 -0.09 0.07 0.00 -0.91 0.00 0.00 33.84 33.20 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 0.44 -2.13 -4.74 3.52 1.44 -1.26 -4.51 115.22 107.98 2jr3 n HIS 27 Ca 0.13 -0.15 -0.24 0.00 -2.01 0.00 0.00 57.72 55.45 2jr3 n HIS 27 Cb 0.53 -0.34 -0.15 0.00 0.12 0.00 0.00 29.99 30.15 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 -1.16 1.40 -0.33 0.61 1.01 0.04 -4.65 120.40 117.31 2jr3 s VAL 28 Ca 0.15 -0.85 0.13 0.00 0.00 0.00 0.00 61.98 61.41 2jr3 s VAL 28 Cb -0.03 -1.18 0.46 0.00 0.00 0.00 0.00 36.38 35.63 2jr3 s VAL 28 CO 0.13 0.31 1.08 0.35 0.00 0.00 0.00 175.10 176.97 2jr3 n THR 29 N 2.42 1.76 -4.48 3.92 -2.24 -1.26 0.23 114.28 114.64 2jr3 n THR 29 Ca -0.15 -3.78 -0.34 0.00 -2.27 0.00 0.00 64.05 57.50 2jr3 n THR 29 Cb 0.54 -0.09 -0.10 0.00 -2.10 0.00 0.00 70.33 68.57 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 -4.25 4.02 0.00 2.28 1.01 -1.26 -4.43 120.40 117.78 2jr3 s VAL 30 Ca 0.38 -0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.01 2jr3 s VAL 30 Cb 0.40 -2.68 0.00 0.00 0.00 0.00 0.00 36.38 34.10 2jr3 s VAL 30 CO -0.04 0.59 0.00 0.61 0.00 0.00 0.00 175.10 176.26 2jr3 n GLY 31 N 2.34 2.14 3.56 4.51 0.00 -1.26 -0.45 105.19 116.04 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 -4.31 6.70 -0.33 0.00 1.04 -1.26 -4.98 113.70 110.56 2jr3 s SER 33 Ca 0.56 0.94 -0.34 0.00 0.48 0.00 0.00 55.95 57.58 2jr3 s SER 33 Cb -0.04 -2.23 -0.11 0.00 0.10 0.00 0.00 66.02 63.74 2jr3 s SER 33 CO 0.36 0.06 2.19 0.61 0.98 0.00 0.00 173.24 177.44 2jr3 n GLY 34 N 0.49 0.57 0.00 7.32 0.00 -1.26 -0.78 105.19 111.53 2jr3 n GLY 34 Ca -0.04 0.91 0.00 0.00 0.00 0.00 0.00 46.02 46.89 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 6.43 1.35 2.97 -0.02 0.00 -1.26 -5.10 105.19 109.56 2jr3 n GLY 35 Ca 0.40 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.00 1.18 0.04 1.61 0.40 0.04 -3.26 117.98 115.99 2jr3 s PHE 36 Ca 0.00 -0.41 0.00 0.00 -0.60 0.00 0.00 56.93 55.92 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 -0.25 0.00 0.41 0.70 0.00 0.00 175.22 176.08 2jr3 n GLY 37 N 3.93 4.13 3.04 4.36 0.00 0.24 -4.21 105.19 116.67 2jr3 n GLY 37 Ca -0.23 -2.18 -0.12 0.00 0.00 0.00 0.00 46.02 43.49 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 2.91 -0.24 0.00 1.81 -1.26 -3.98 118.95 114.41 2jr3 s ARG 40 Ca 0.37 1.48 -0.06 0.00 -1.72 0.00 0.00 55.73 55.80 2jr3 s ARG 40 Cb 0.03 -4.36 -0.18 0.00 -0.45 0.00 0.00 34.95 29.99 2jr3 s ARG 40 CO 0.20 -2.36 -0.11 -0.89 -0.68 0.00 0.00 175.30 171.45 2jr3 n ILE 41 N 7.61 1.56 1.34 1.52 5.41 -0.93 -5.04 119.36 130.84 2jr3 n ILE 41 Ca 0.28 -0.48 0.13 0.00 1.00 0.00 0.00 62.75 63.68 2jr3 n ILE 41 Cb 0.49 -1.66 0.39 0.00 -0.71 0.00 0.00 39.64 38.15 2jr3 n ILE 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16