#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zrj s SER -5 N 0.00 6.61 -0.19 1.61 0.01 -1.26 -4.99 113.70 115.49 1zrj s SER -5 Ca 0.00 1.79 0.01 0.00 1.31 0.00 0.00 55.95 59.06 1zrj s SER -5 Cb 0.00 -2.53 0.04 0.00 0.21 0.00 0.00 66.02 63.73 1zrj s SER -5 CO 0.00 -1.04 -0.14 -0.94 0.41 0.00 0.00 173.24 171.54 1zrj s SER -4 N 3.36 3.32 0.00 2.44 1.04 -1.26 -4.91 113.70 117.70 1zrj s SER -4 Ca 0.67 -0.82 0.00 0.00 0.48 0.00 0.00 55.95 56.29 1zrj s SER -4 Cb -0.26 -1.32 0.00 0.00 0.10 0.00 0.00 66.02 64.54 1zrj s SER -4 CO 0.26 -0.10 0.00 0.61 0.98 0.00 0.00 173.24 174.99 1zrj n GLY -3 N 4.65 0.00 2.93 7.32 0.00 -1.26 -5.16 105.19 113.68 1zrj n GLY -3 Ca -0.17 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.73 1zrj n GLY -3 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1zrj s SER -2 N 0.00 -0.07 -0.22 1.61 1.04 -1.26 -5.05 113.70 109.75 1zrj s SER -2 Ca 0.00 0.15 -0.07 0.00 0.48 0.00 0.00 55.95 56.51 1zrj s SER -2 Cb 0.00 0.14 -0.19 0.00 0.10 0.00 0.00 66.02 66.07 1zrj s SER -2 CO 0.00 -0.04 -0.04 -0.24 0.98 0.00 0.00 173.24 173.91 1zrj n SER -1 N 3.18 2.00 -4.52 7.02 2.88 -1.26 -4.93 113.62 117.99 1zrj n SER -1 Ca -0.14 0.14 -0.34 0.00 -1.33 0.00 0.00 58.87 57.20 1zrj n SER -1 Cb 0.58 -0.70 -0.12 0.00 -0.75 0.00 0.00 64.21 63.22 1zrj n SER -1 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1zrj s GLY 0 N -5.81 1.70 -0.39 0.46 0.00 -1.26 -5.02 107.32 97.00 1zrj s GLY 0 Ca -0.32 -0.84 -0.12 0.00 0.00 0.00 0.00 44.72 43.45 1zrj s GLY 0 CO 0.62 -0.27 0.23 -0.29 0.00 0.00 0.00 173.10 173.40 1zrj s MET 1 N -0.02 2.83 -0.45 2.90 -2.45 -1.26 -4.96 119.30 115.88 1zrj s MET 1 Ca 0.00 -1.11 -0.02 0.00 -1.25 0.00 0.00 55.69 53.31 1zrj s MET 1 Cb -0.13 -3.79 0.22 0.00 1.25 0.00 0.00 34.83 32.37 1zrj s MET 1 CO 0.03 -0.74 2.24 -0.25 1.05 0.00 0.00 175.02 177.35 1zrj n ASP 2 N 5.03 6.76 -0.65 1.11 9.92 -1.26 -4.69 116.55 132.76 1zrj n ASP 2 Ca -0.12 -3.28 0.50 0.00 -0.53 0.00 0.00 54.79 51.36 1zrj n ASP 2 Cb 0.46 -1.10 0.77 0.00 -0.64 0.00 0.00 41.12 40.62 1zrj n ASP 2 CO 0.00 0.00 0.00 0.55 0.13 0.00 0.00 177.20 177.88 1zrj n VAL 3 N 0.22 -0.04 -0.09 2.53 3.14 -1.26 0.21 118.33 123.05 1zrj n VAL 3 Ca 0.43 1.48 -0.14 0.00 -2.96 0.00 0.00 64.34 63.16 1zrj n VAL 3 Cb 0.56 -2.46 -0.04 0.00 -1.06 0.00 0.00 33.84 30.83 1zrj n VAL 3 CO 0.00 0.00 0.00 0.03 -6.46 0.00 0.00 176.83 170.40 1zrj h ARG 4 N 0.00 0.71 0.00 1.45 2.47 -1.95 -2.87 114.38 114.20 1zrj h ARG 4 Ca 0.90 -0.39 0.00 0.00 -1.26 0.00 0.00 59.98 59.23 1zrj h ARG 4 Cb 3.52 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 31.86 1zrj h ARG 4 CO -0.08 1.01 0.00 0.54 0.56 0.00 0.00 179.97 182.01 1zrj n ARG 5 N -4.24 0.06 -2.38 0.04 5.12 0.57 -4.75 116.66 111.09 1zrj n ARG 5 Ca -0.04 0.15 -0.43 0.00 -1.93 0.00 0.00 57.85 55.61 1zrj n ARG 5 Cb 0.49 -1.59 -0.02 0.00 -1.16 0.00 0.00 32.46 30.18 1zrj n ARG 5 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 1zrj s LEU 6 N -3.41 4.24 1.28 0.55 1.43 -0.53 -5.01 118.68 117.23 1zrj s LEU 6 Ca 0.10 1.83 -0.17 0.00 -1.03 0.00 0.00 54.13 54.86 1zrj s LEU 6 Cb 0.14 -3.55 0.31 0.00 0.03 0.00 0.00 46.19 43.12 1zrj s LEU 6 CO 0.45 -0.71 0.85 0.29 0.23 0.00 0.00 176.35 177.46 1zrj n LYS 7 N 6.02 -3.30 -0.24 1.70 5.02 -1.26 -4.69 118.16 121.41 1zrj n LYS 7 Ca 0.13 -0.96 -0.07 0.00 -2.02 0.00 0.00 58.31 55.39 1zrj n LYS 7 Cb 0.45 -2.01 0.04 0.00 -0.02 0.00 0.00 35.03 33.49 1zrj n LYS 7 CO 0.00 0.00 0.00 -0.39 -0.52 0.00 0.00 177.40 176.49 1zrj h VAL 8 N -3.00 1.25 -0.83 -0.18 -1.51 -1.95 -2.14 116.25 107.88 1zrj h VAL 8 Ca -0.54 -0.81 -0.03 0.00 -1.23 0.00 0.00 66.70 64.09 1zrj h VAL 8 Cb 1.32 0.53 -0.04 0.00 -2.13 0.00 0.00 31.29 30.97 1zrj h VAL 8 CO 0.39 0.32 0.42 0.78 -1.23 0.00 0.00 177.57 178.25 1zrj h ASN 9 N 0.95 1.07 -0.45 4.19 2.35 -1.99 -0.74 115.58 120.96 1zrj h ASN 9 Ca 0.22 -0.12 -0.05 0.00 -0.55 0.00 0.00 56.30 55.80 1zrj h ASN 9 Cb 0.25 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 1zrj h ASN 9 CO -0.01 0.89 0.06 -0.33 -1.65 0.00 0.00 177.43 176.39 1zrj h GLU 10 N 1.18 0.74 -0.59 0.81 5.08 -1.83 -2.27 114.58 117.71 1zrj h GLU 10 Ca 0.29 -0.20 -0.09 0.00 -1.00 0.00 0.00 59.36 58.35 1zrj h GLU 10 Cb 0.09 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1zrj h GLU 10 CO -0.04 0.77 0.02 -0.07 -1.00 0.00 0.00 179.01 178.69 1zrj h LEU 11 N 0.60 1.00 -0.82 1.33 3.38 -1.09 -2.35 115.31 117.36 1zrj h LEU 11 Ca 0.13 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 1zrj h LEU 11 Cb 0.39 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 1zrj h LEU 11 CO 0.01 1.04 0.45 0.03 0.09 0.00 0.00 178.44 180.06 1zrj h ARG 12 N 0.94 1.14 -0.29 1.13 3.08 -0.99 0.10 114.38 119.49 1zrj h ARG 12 Ca 0.17 -0.13 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 1zrj h ARG 12 Cb 0.52 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 1zrj h ARG 12 CO 0.03 0.84 0.05 0.93 -1.07 0.00 0.00 179.97 180.75 1zrj h GLU 13 N 1.13 0.48 -0.38 0.04 5.08 -1.20 0.15 114.58 119.88 1zrj h GLU 13 Ca 0.29 -0.13 -0.05 0.00 -1.00 0.00 0.00 59.36 58.47 1zrj h GLU 13 Cb 0.03 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1zrj h GLU 13 CO -0.05 0.58 0.04 0.93 -1.00 0.00 0.00 179.01 179.51 1zrj h GLU 14 N 0.31 0.65 -0.43 2.33 4.39 -1.18 -0.88 114.58 119.76 1zrj h GLU 14 Ca 0.09 -0.19 -0.06 0.00 0.34 0.00 0.00 59.36 59.54 1zrj h GLU 14 Cb 0.33 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.89 1zrj h GLU 14 CO 0.00 0.72 0.03 -0.07 -1.16 0.00 0.00 179.01 178.53 1zrj h LEU 15 N 0.48 0.73 -0.63 1.33 3.38 -0.74 -2.09 115.31 117.78 1zrj h LEU 15 Ca 0.11 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.76 1zrj h LEU 15 Cb 0.40 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1zrj h LEU 15 CO 0.01 0.83 0.25 -0.61 0.09 0.00 0.00 178.44 179.02 1zrj h GLN 16 N 0.59 0.94 0.00 1.13 4.15 -0.62 0.39 115.11 121.68 1zrj h GLN 16 Ca 0.13 -0.17 -0.04 0.00 0.77 0.00 0.00 58.65 59.33 1zrj h GLN 16 Cb 0.45 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.98 1zrj h GLN 16 CO 0.02 0.79 -0.20 0.00 -1.93 0.00 0.00 178.83 177.51 1zrj h ARG 17 N 0.88 0.00 -0.37 1.69 3.08 -1.04 -1.41 114.38 117.21 1zrj h ARG 17 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.26 1zrj h ARG 17 Cb 0.21 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.26 1zrj h ARG 17 CO -0.02 0.20 0.00 0.54 -1.07 0.00 0.00 179.97 179.62 1zrj n ARG 18 N -3.87 1.98 -1.29 0.04 1.74 -0.80 -4.90 116.66 109.56 1zrj n ARG 18 Ca -0.02 -1.51 -0.10 0.00 -0.77 0.00 0.00 57.85 55.45 1zrj n ARG 18 Cb 0.29 -1.36 -0.04 0.00 -1.02 0.00 0.00 32.46 30.33 1zrj n ARG 18 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1zrj n GLY 19 N 1.20 1.12 3.88 -0.13 0.00 -0.53 -4.99 105.19 105.74 1zrj n GLY 19 Ca 0.15 -0.33 -0.35 0.00 0.00 0.00 0.00 46.02 45.49 1zrj n GLY 19 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1zrj s LEU 20 N -2.31 4.37 0.29 0.99 1.43 0.13 -4.99 118.68 118.60 1zrj s LEU 20 Ca 0.00 0.60 -0.26 0.00 -1.03 0.00 0.00 54.13 53.44 1zrj s LEU 20 Cb 0.00 -2.67 -0.15 0.00 0.03 0.00 0.00 46.19 43.40 1zrj s LEU 20 CO 0.00 0.26 0.67 -0.67 0.23 0.00 0.00 176.35 176.84 1zrj n ASP 21 N 1.18 -0.37 -1.13 2.29 -0.08 -1.26 -3.72 116.55 113.45 1zrj n ASP 21 Ca -0.12 1.08 0.02 0.00 -1.51 0.00 0.00 54.79 54.26 1zrj n ASP 21 Cb 0.53 -1.10 0.24 0.00 2.34 0.00 0.00 41.12 43.13 1zrj n ASP 21 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1zrj n THR 22 N -0.18 2.47 -4.13 5.18 -2.24 -1.26 -4.76 114.28 109.35 1zrj n THR 22 Ca 0.13 -2.12 -0.23 0.00 -2.27 0.00 0.00 64.05 59.56 1zrj n THR 22 Cb 0.32 -0.29 -0.05 0.00 -2.10 0.00 0.00 70.33 68.20 1zrj n THR 22 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1zrj s ARG 23 N -2.99 2.83 0.00 -0.78 1.81 -1.26 -4.95 118.95 113.61 1zrj s ARG 23 Ca 0.45 -1.05 0.00 0.00 -1.72 0.00 0.00 55.73 53.41 1zrj s ARG 23 Cb 0.38 -2.53 0.00 0.00 -0.45 0.00 0.00 34.95 32.34 1zrj s ARG 23 CO 0.07 0.42 0.00 0.41 -0.68 0.00 0.00 175.30 175.52 1zrj n GLY 24 N -0.91 2.71 3.10 -3.53 0.00 -1.26 -4.65 105.19 100.65 1zrj n GLY 24 Ca -0.08 -1.77 -0.24 0.00 0.00 0.00 0.00 46.02 43.93 1zrj n GLY 24 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1zrj n LEU 25 N 0.00 -1.64 -0.01 0.99 4.77 -1.26 -4.42 117.00 115.43 1zrj n LEU 25 Ca 0.00 -0.33 -0.11 0.00 -0.03 0.00 0.00 56.01 55.55 1zrj n LEU 25 Cb 0.00 -0.83 -0.05 0.00 -2.33 0.00 0.00 43.42 40.22 1zrj n LEU 25 CO 0.00 -3.25 0.91 0.50 -1.33 0.00 0.00 177.39 174.22 1zrj h LYS 26 N -2.51 0.13 -0.46 3.23 3.64 -1.98 -1.05 116.57 117.58 1zrj h LYS 26 Ca -0.35 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.06 1zrj h LYS 26 Cb 1.00 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.75 1zrj h LYS 26 CO 0.23 0.09 0.25 0.00 -2.27 0.00 0.00 179.45 177.74 1zrj h ALA 27 N 1.05 0.58 -0.71 5.00 0.00 -1.99 0.12 119.26 123.30 1zrj h ALA 27 Ca 0.04 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1zrj h ALA 27 Cb -0.00 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1zrj h ALA 27 CO -0.02 -0.09 0.47 0.93 0.00 0.00 0.00 179.25 180.54 1zrj h GLU 28 N 0.49 0.92 -0.47 0.00 4.39 -1.81 -0.44 114.58 117.66 1zrj h GLU 28 Ca 0.19 -0.06 -0.13 0.00 0.34 0.00 0.00 59.36 59.71 1zrj h GLU 28 Cb 0.06 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.49 1zrj h GLU 28 CO -0.11 0.61 -0.20 -0.07 -1.16 0.00 0.00 179.01 178.07 1zrj h LEU 29 N 0.95 0.98 -0.30 1.33 3.38 -0.70 -2.02 115.31 118.93 1zrj h LEU 29 Ca 0.27 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 1zrj h LEU 29 Cb -0.08 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.38 1zrj h LEU 29 CO -0.07 1.15 0.11 0.00 0.09 0.00 0.00 178.44 179.72 1zrj h ALA 30 N 0.92 0.39 -0.80 1.53 0.00 -0.34 -0.58 119.26 120.39 1zrj h ALA 30 Ca 0.11 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1zrj h ALA 30 Cb 0.77 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 1zrj h ALA 30 CO 0.06 0.00 0.31 0.93 0.00 0.00 0.00 179.25 180.56 1zrj h GLU 31 N 0.34 1.20 -0.22 0.00 4.39 -1.05 0.41 114.58 119.64 1zrj h GLU 31 Ca 0.10 -0.22 -0.03 0.00 0.34 0.00 0.00 59.36 59.55 1zrj h GLU 31 Cb 0.20 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 1zrj h GLU 31 CO -0.01 0.97 0.02 -0.09 -1.16 0.00 0.00 179.01 178.74 1zrj h ARG 32 N 1.16 0.38 -0.39 2.33 2.43 -1.18 -1.51 114.38 117.60 1zrj h ARG 32 Ca 0.27 -0.11 -0.04 0.00 -0.81 0.00 0.00 59.98 59.28 1zrj h ARG 32 Cb 0.22 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.72 1zrj h ARG 32 CO -0.02 0.54 0.08 1.25 -1.51 0.00 0.00 179.97 180.31 1zrj h LEU 33 N 0.16 0.61 -1.00 3.80 5.85 -0.94 -2.88 115.31 120.91 1zrj h LEU 33 Ca 0.06 -0.25 0.01 0.00 0.84 0.00 0.00 57.88 58.55 1zrj h LEU 33 Cb 0.36 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.18 1zrj h LEU 33 CO 0.01 0.70 0.66 -0.61 -0.34 0.00 0.00 178.44 178.86 1zrj h GLN 34 N 0.50 1.31 -0.65 1.25 5.75 -0.87 -2.03 115.11 120.36 1zrj h GLN 34 Ca 0.12 -0.08 0.04 0.00 -0.15 0.00 0.00 58.65 58.58 1zrj h GLN 34 Cb 0.34 -0.29 -0.05 0.00 1.07 0.00 0.00 27.48 28.55 1zrj h GLN 34 CO 0.00 0.86 0.38 0.00 -2.65 0.00 0.00 178.83 177.43 1zrj h ALA 35 N 1.37 0.86 -0.58 3.38 0.00 -1.08 0.86 119.26 124.07 1zrj h ALA 35 Ca 0.37 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.20 1zrj h ALA 35 Cb -0.14 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1zrj h ALA 35 CO -0.08 0.10 0.07 0.00 0.00 0.00 0.00 179.25 179.34 1zrj h ALA 36 N 1.31 0.77 -0.25 0.00 0.00 -1.24 -3.10 119.26 116.75 1zrj h ALA 36 Ca 0.27 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1zrj h ALA 36 Cb 0.09 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1zrj h ALA 36 CO -0.14 0.55 0.04 -0.07 0.00 0.00 0.00 179.25 179.63 1zrj h LEU 37 N 0.87 0.40 -1.28 0.00 3.38 -0.84 -3.47 115.31 114.37 1zrj h LEU 37 Ca 0.17 -0.27 -0.42 0.00 0.09 0.00 0.00 57.88 57.45 1zrj h LEU 37 Cb 0.46 -0.11 0.06 0.00 0.09 0.00 0.00 40.66 41.16 1zrj h LEU 37 CO 0.02 0.57 -0.76 -0.24 0.09 0.00 0.00 178.44 178.11 1zrj n SER 38 N -4.68 -3.70 -4.89 -0.43 2.88 0.25 -4.97 113.62 98.07 1zrj n SER 38 Ca -0.03 -0.72 -0.29 0.00 -1.33 0.00 0.00 58.87 56.50 1zrj n SER 38 Cb 0.21 -4.35 0.02 0.00 -0.75 0.00 0.00 64.21 59.34 1zrj n SER 38 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1zrj s GLY 39 N -3.77 1.59 -0.87 0.46 0.00 -1.26 -4.96 107.32 98.51 1zrj s GLY 39 Ca 0.36 -0.40 -0.25 0.00 0.00 0.00 0.00 44.72 44.44 1zrj s GLY 39 CO 0.79 -0.15 1.93 2.56 0.00 0.00 0.00 173.10 178.24 1zrj s PRO 40 N -5.02 2.57 -0.28 2.90 0.04 -1.26 -4.91 135.00 129.04 1zrj s PRO 40 Ca 0.53 -0.18 0.02 0.00 0.04 0.00 0.00 61.00 61.40 1zrj s PRO 40 Cb -0.11 -4.98 0.08 0.00 0.04 0.00 0.00 34.50 29.53 1zrj s PRO 40 CO 0.49 -3.29 0.00 -1.54 0.04 0.00 0.00 177.00 172.70 1zrj s SER 41 N 8.03 4.19 -1.45 6.66 1.04 -1.26 -4.78 113.70 126.13 1zrj s SER 41 Ca 0.70 -1.56 -0.09 0.00 0.48 0.00 0.00 55.95 55.47 1zrj s SER 41 Cb -0.07 -1.27 0.05 0.00 0.10 0.00 0.00 66.02 64.83 1zrj s SER 41 CO 0.02 -0.31 0.93 -0.24 0.98 0.00 0.00 173.24 174.62 1zrj n SER 42 N 4.57 -3.96 0.00 7.02 2.88 -1.26 -5.24 113.62 117.62 1zrj n SER 42 Ca -0.06 -0.76 0.00 0.00 -1.33 0.00 0.00 58.87 56.72 1zrj n SER 42 Cb 0.43 -4.08 0.00 0.00 -0.75 0.00 0.00 64.21 59.81 1zrj n SER 42 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42