#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zrj h SER -5 N 0.00 -0.99 -2.32 1.61 0.87 -2.15 -3.38 113.55 107.19 1zrj h SER -5 Ca 0.00 0.03 -0.54 0.00 -1.23 0.00 0.00 61.79 60.06 1zrj h SER -5 Cb 0.00 0.26 -0.08 0.00 -0.44 0.00 0.00 62.40 62.14 1zrj h SER -5 CO 0.00 -0.69 1.08 -0.44 -0.53 0.00 0.00 176.83 176.26 1zrj s SER -4 N -3.86 6.11 -0.19 6.23 0.01 -1.26 -4.96 113.70 115.79 1zrj s SER -4 Ca -0.17 -0.41 -0.03 0.00 1.31 0.00 0.00 55.95 56.64 1zrj s SER -4 Cb 0.02 -2.56 0.06 0.00 0.21 0.00 0.00 66.02 63.75 1zrj s SER -4 CO 0.51 -1.87 0.05 -0.83 0.41 0.00 0.00 173.24 171.51 1zrj s GLY -3 N 4.01 0.65 -0.29 3.44 0.00 -1.26 -5.10 107.32 108.76 1zrj s GLY -3 Ca 0.37 -0.64 -0.16 0.00 0.00 0.00 0.00 44.72 44.29 1zrj s GLY -3 CO 0.15 1.48 0.98 -1.35 0.00 0.00 0.00 173.10 174.37 1zrj s SER -2 N 1.91 -0.50 -0.29 1.64 1.04 -1.26 -5.14 113.70 111.10 1zrj s SER -2 Ca -0.00 0.80 -0.06 0.00 0.48 0.00 0.00 55.95 57.17 1zrj s SER -2 Cb -0.17 1.20 0.02 0.00 0.10 0.00 0.00 66.02 67.16 1zrj s SER -2 CO -0.08 -0.13 0.05 -0.55 0.98 0.00 0.00 173.24 173.51 1zrj s SER -1 N 1.31 4.97 0.00 7.02 0.15 -1.26 -4.99 113.70 120.90 1zrj s SER -1 Ca -0.09 -0.79 0.00 0.00 0.70 0.00 0.00 55.95 55.78 1zrj s SER -1 Cb -0.04 -1.83 0.00 0.00 -1.71 0.00 0.00 66.02 62.44 1zrj s SER -1 CO -0.15 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 174.71 1zrj n GLY 0 N 4.82 2.38 3.11 9.45 0.00 -1.26 -5.10 105.19 118.58 1zrj n GLY 0 Ca -0.15 -1.75 -0.12 0.00 0.00 0.00 0.00 46.02 44.00 1zrj n GLY 0 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1zrj s MET 1 N -3.97 0.26 -0.83 1.61 0.00 -1.26 -5.10 119.30 110.00 1zrj s MET 1 Ca 0.00 0.49 -0.19 0.00 0.00 0.00 0.00 55.69 55.98 1zrj s MET 1 Cb 0.00 -0.01 0.12 0.00 0.00 0.00 0.00 34.83 34.94 1zrj s MET 1 CO 0.00 -0.11 1.02 -0.51 0.00 0.00 0.00 175.02 175.41 1zrj s ASP 2 N 0.84 6.49 0.31 1.11 1.01 -1.26 -4.85 116.67 120.33 1zrj s ASP 2 Ca -0.06 -1.81 0.15 0.00 0.71 0.00 0.00 52.55 51.54 1zrj s ASP 2 Cb -0.07 -2.38 0.46 0.00 1.01 0.00 0.00 42.92 41.94 1zrj s ASP 2 CO -0.05 -1.11 1.64 1.62 0.21 0.00 0.00 175.17 177.47 1zrj h VAL 3 N 5.80 1.13 -0.03 -1.27 3.04 -1.97 -3.24 116.25 119.71 1zrj h VAL 3 Ca 0.01 -1.91 -0.00 0.00 -1.01 0.00 0.00 66.70 63.79 1zrj h VAL 3 Cb 1.04 2.10 -0.00 0.00 -2.01 0.00 0.00 31.29 32.42 1zrj h VAL 3 CO 1.10 0.50 0.01 0.03 -1.01 0.00 0.00 177.57 178.20 1zrj h ARG 4 N 0.00 0.04 -0.95 4.17 3.08 -1.95 -2.39 114.38 116.38 1zrj h ARG 4 Ca -0.01 -0.01 0.27 0.00 0.07 0.00 0.00 59.98 60.31 1zrj h ARG 4 Cb 1.06 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 31.07 1zrj h ARG 4 CO 0.07 0.16 0.75 0.00 -1.07 0.00 0.00 179.97 179.88 1zrj h ARG 5 N -0.08 0.00 -6.25 0.04 2.47 -1.98 -3.39 114.38 105.19 1zrj h ARG 5 Ca 0.01 0.00 -0.56 0.00 -1.26 0.00 0.00 59.98 58.17 1zrj h ARG 5 Cb 0.13 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.43 1zrj h ARG 5 CO -0.00 0.00 1.08 -0.51 0.56 0.00 0.00 179.97 181.10 1zrj s LEU 6 N -8.05 4.10 1.09 3.04 1.43 -0.90 -4.98 118.68 114.41 1zrj s LEU 6 Ca -0.05 1.87 -0.16 0.00 -1.03 0.00 0.00 54.13 54.77 1zrj s LEU 6 Cb 0.20 -3.53 0.14 0.00 0.03 0.00 0.00 46.19 43.03 1zrj s LEU 6 CO 0.72 -1.06 0.38 0.29 0.23 0.00 0.00 176.35 176.91 1zrj n LYS 7 N 7.30 -1.47 -0.35 1.70 5.02 -1.26 -4.52 118.16 124.58 1zrj n LYS 7 Ca 0.17 -0.40 0.05 0.00 -2.02 0.00 0.00 58.31 56.12 1zrj n LYS 7 Cb 0.44 -1.88 0.21 0.00 -0.02 0.00 0.00 35.03 33.78 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 -2.10 0.95 -0.69 -0.18 -1.51 -1.93 -0.95 116.25 109.84 1zrj h VAL 8 Ca -0.53 -0.34 -0.05 0.00 -1.23 0.00 0.00 66.70 64.56 1zrj h VAL 8 Cb 1.33 -0.12 -0.03 0.00 -2.13 0.00 0.00 31.29 30.35 1zrj h VAL 8 CO 0.40 0.18 0.25 0.78 -1.23 0.00 0.00 177.57 177.95 1zrj h ASN 9 N 0.98 0.97 -0.47 4.19 2.35 -2.00 -1.78 115.58 119.83 1zrj h ASN 9 Ca 0.46 -0.19 -0.05 0.00 -0.55 0.00 0.00 56.30 55.97 1zrj h ASN 9 Cb 0.39 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 1zrj h ASN 9 CO -0.24 0.90 0.11 -0.33 -1.65 0.00 0.00 177.43 176.22 1zrj h GLU 10 N 0.99 0.75 -0.82 0.81 5.08 -1.57 -2.13 114.58 117.70 1zrj h GLU 10 Ca 0.23 -0.18 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1zrj h GLU 10 Cb 0.25 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.37 1zrj h GLU 10 CO -0.01 0.74 0.42 -0.07 -1.00 0.00 0.00 179.01 179.09 1zrj h LEU 11 N 0.63 1.04 -0.91 1.33 3.38 -1.02 -2.06 115.31 117.71 1zrj h LEU 11 Ca 0.15 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 1zrj h LEU 11 Cb 0.33 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1zrj h LEU 11 CO 0.00 0.86 0.15 0.03 0.09 0.00 0.00 178.44 179.57 1zrj h ARG 12 N 1.15 0.95 -0.34 1.13 3.08 -1.13 -0.84 114.38 118.37 1zrj h ARG 12 Ca 0.28 -0.21 -0.03 0.00 0.07 0.00 0.00 59.98 60.09 1zrj h ARG 12 Cb 0.07 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 1zrj h ARG 12 CO -0.04 0.85 0.09 0.93 -1.07 0.00 0.00 179.97 180.72 1zrj h GLU 13 N 0.91 0.55 -0.52 0.04 5.08 -0.93 -0.10 114.58 119.60 1zrj h GLU 13 Ca 0.20 -0.13 -0.09 0.00 -1.00 0.00 0.00 59.36 58.34 1zrj h GLU 13 Cb 0.33 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 1zrj h GLU 13 CO -0.00 0.60 -0.01 0.93 -1.00 0.00 0.00 179.01 179.53 1zrj h GLU 14 N 0.40 0.93 -0.59 2.33 4.39 -1.19 -2.00 114.58 118.86 1zrj h GLU 14 Ca 0.11 -0.30 -0.08 0.00 0.34 0.00 0.00 59.36 59.42 1zrj h GLU 14 Cb 0.29 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 1zrj h GLU 14 CO 0.00 0.95 0.03 -0.07 -1.16 0.00 0.00 179.01 178.76 1zrj h LEU 15 N 0.80 0.96 -0.78 1.33 3.38 -1.04 -2.61 115.31 117.35 1zrj h LEU 15 Ca 0.15 -0.25 -0.09 0.00 0.09 0.00 0.00 57.88 57.78 1zrj h LEU 15 Cb 0.54 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 1zrj h LEU 15 CO 0.03 1.00 -0.05 1.56 0.09 0.00 0.00 178.44 181.07 1zrj h GLN 16 N 0.92 0.87 -0.62 1.13 4.20 -0.86 0.41 115.11 121.16 1zrj h GLN 16 Ca 0.17 -0.27 -0.05 0.00 0.06 0.00 0.00 58.65 58.56 1zrj h GLN 16 Cb 0.49 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.16 1zrj h GLN 16 CO 0.02 0.90 0.18 -0.09 -0.67 0.00 0.00 178.83 179.18 1zrj h ARG 17 N 0.80 0.95 -0.89 1.46 2.43 -1.13 -1.89 114.38 116.11 1zrj h ARG 17 Ca 0.14 -0.19 -0.05 0.00 -0.81 0.00 0.00 59.98 59.08 1zrj h ARG 17 Cb 0.55 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.92 1zrj h ARG 17 CO 0.03 0.82 0.06 0.54 -1.51 0.00 0.00 179.97 179.91 1zrj n ARG 18 N -4.27 2.11 -2.04 0.20 1.74 -1.01 -4.84 116.66 108.56 1zrj n ARG 18 Ca 0.05 -1.07 -0.14 0.00 -0.77 0.00 0.00 57.85 55.92 1zrj n ARG 18 Cb 0.22 -1.67 -0.03 0.00 -1.02 0.00 0.00 32.46 29.96 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 0.14 0.21 3.89 -0.13 0.00 -0.71 -4.94 105.19 103.66 1zrj n GLY 19 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 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 -4.98 4.25 0.44 0.99 1.43 0.14 -5.00 118.68 115.94 1zrj s LEU 20 Ca 0.00 0.67 -0.25 0.00 -1.03 0.00 0.00 54.13 53.52 1zrj s LEU 20 Cb 0.00 -3.38 -0.08 0.00 0.03 0.00 0.00 46.19 42.76 1zrj s LEU 20 CO 0.00 0.03 1.35 -0.62 0.23 0.00 0.00 176.35 177.34 1zrj s ASP 21 N -2.39 6.04 -0.35 2.29 2.15 -1.26 -3.98 116.67 119.17 1zrj s ASP 21 Ca 0.42 2.75 0.07 0.00 0.43 0.00 0.00 52.55 56.21 1zrj s ASP 21 Cb -0.12 -2.64 0.52 0.00 -0.30 0.00 0.00 42.92 40.37 1zrj s ASP 21 CO 0.24 -1.04 1.55 0.35 -0.17 0.00 0.00 175.17 176.09 1zrj n THR 22 N -0.13 2.75 -3.92 1.71 -2.24 -1.26 -4.88 114.28 106.31 1zrj n THR 22 Ca 0.05 -2.88 -0.26 0.00 -2.27 0.00 0.00 64.05 58.69 1zrj n THR 22 Cb 0.43 -0.53 -0.03 0.00 -2.10 0.00 0.00 70.33 68.10 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 -3.37 3.45 0.00 -0.78 1.81 -1.26 -5.02 118.95 113.78 1zrj s ARG 23 Ca 0.49 -0.58 0.00 0.00 -1.72 0.00 0.00 55.73 53.92 1zrj s ARG 23 Cb 0.43 -2.95 0.00 0.00 -0.45 0.00 0.00 34.95 31.98 1zrj s ARG 23 CO 0.01 0.51 0.00 0.41 -0.68 0.00 0.00 175.30 175.55 1zrj n GLY 24 N -0.60 1.26 3.65 -3.53 0.00 -1.26 -4.64 105.19 100.08 1zrj n GLY 24 Ca -0.07 -2.06 -0.30 0.00 0.00 0.00 0.00 46.02 43.60 1zrj n GLY 24 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1zrj s LEU 25 N 0.00 1.10 0.13 0.99 1.43 -1.26 -4.74 118.68 116.33 1zrj s LEU 25 Ca 0.00 0.67 -0.21 0.00 -1.03 0.00 0.00 54.13 53.56 1zrj s LEU 25 Cb 0.00 -2.52 -0.04 0.00 0.03 0.00 0.00 46.19 43.67 1zrj s LEU 25 CO 0.00 -3.77 1.70 0.50 0.23 0.00 0.00 176.35 175.01 1zrj h LYS 26 N -2.34 -0.05 -0.78 1.70 3.64 -1.98 -1.45 116.57 115.30 1zrj h LYS 26 Ca -0.46 0.00 0.09 0.00 -1.27 0.00 0.00 60.65 59.01 1zrj h LYS 26 Cb 1.29 0.01 -0.07 0.00 -0.41 0.00 0.00 32.23 33.05 1zrj h LYS 26 CO 0.39 -0.03 0.42 0.00 -2.27 0.00 0.00 179.45 177.96 1zrj h ALA 27 N 1.09 1.10 -0.74 5.00 0.00 -1.99 0.10 119.26 123.82 1zrj h ALA 27 Ca 0.09 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1zrj h ALA 27 Cb 0.18 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 1zrj h ALA 27 CO -0.19 0.04 0.42 0.93 0.00 0.00 0.00 179.25 180.45 1zrj h GLU 28 N 0.71 1.03 -0.42 0.00 4.39 -1.74 -1.70 114.58 116.86 1zrj h GLU 28 Ca 0.38 -0.11 -0.13 0.00 0.34 0.00 0.00 59.36 59.84 1zrj h GLU 28 Cb 0.37 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 1zrj h GLU 28 CO -0.26 0.75 -0.24 -0.07 -1.16 0.00 0.00 179.01 178.03 1zrj h LEU 29 N 1.02 0.93 -0.45 1.33 3.38 -0.25 -1.93 115.31 119.35 1zrj h LEU 29 Ca 0.26 -0.42 0.02 0.00 0.09 0.00 0.00 57.88 57.83 1zrj h LEU 29 Cb 0.01 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 1zrj h LEU 29 CO -0.04 1.15 0.27 0.00 0.09 0.00 0.00 178.44 179.91 1zrj h ALA 30 N 0.81 0.57 -0.38 1.53 0.00 -0.54 -1.35 119.26 119.90 1zrj h ALA 30 Ca 0.09 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1zrj h ALA 30 Cb 0.82 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1zrj h ALA 30 CO 0.07 -0.04 0.01 0.93 0.00 0.00 0.00 179.25 180.22 1zrj h GLU 31 N 0.55 0.67 -0.26 0.00 4.39 -1.28 -0.96 114.58 117.69 1zrj h GLU 31 Ca 0.18 -0.21 0.04 0.00 0.34 0.00 0.00 59.36 59.71 1zrj h GLU 31 Cb -0.00 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 28.54 1zrj h GLU 31 CO -0.07 0.76 0.00 -0.09 -1.16 0.00 0.00 179.01 178.45 1zrj h ARG 32 N 0.50 0.08 -0.41 2.33 2.43 -1.06 0.16 114.38 118.40 1zrj h ARG 32 Ca 0.11 -0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.22 1zrj h ARG 32 Cb 0.45 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.97 1zrj h ARG 32 CO 0.02 0.05 0.05 1.25 -1.51 0.00 0.00 179.97 179.83 1zrj h LEU 33 N 0.08 0.67 -0.58 3.80 5.85 -1.20 -2.82 115.31 121.12 1zrj h LEU 33 Ca 0.12 -0.28 0.02 0.00 0.84 0.00 0.00 57.88 58.58 1zrj h LEU 33 Cb 0.16 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 1zrj h LEU 33 CO -0.20 0.78 0.37 -0.61 -0.34 0.00 0.00 178.44 178.43 1zrj h GLN 34 N 0.54 0.72 -0.86 1.25 5.75 -0.75 -1.61 115.11 120.16 1zrj h GLN 34 Ca 0.12 -0.04 0.07 0.00 -0.15 0.00 0.00 58.65 58.65 1zrj h GLN 34 Cb 0.41 -0.16 -0.06 0.00 1.07 0.00 0.00 27.48 28.73 1zrj h GLN 34 CO 0.01 0.48 0.52 0.00 -2.65 0.00 0.00 178.83 177.19 1zrj h ALA 35 N 1.23 1.19 -0.53 3.38 0.00 -0.58 -1.13 119.26 122.82 1zrj h ALA 35 Ca 0.22 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.02 1zrj h ALA 35 Cb -0.03 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1zrj h ALA 35 CO -0.07 0.24 -0.11 0.00 0.00 0.00 0.00 179.25 179.31 1zrj h ALA 36 N 1.42 0.81 -0.44 0.00 0.00 -1.17 -3.10 119.26 116.77 1zrj h ALA 36 Ca 0.38 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1zrj h ALA 36 Cb 0.22 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1zrj h ALA 36 CO -0.19 0.66 0.21 -0.07 0.00 0.00 0.00 179.25 179.86 1zrj h LEU 37 N 0.89 0.58 -8.01 0.00 3.38 -0.48 -3.40 115.31 108.26 1zrj h LEU 37 Ca 0.14 -0.13 -0.66 0.00 0.09 0.00 0.00 57.88 57.32 1zrj h LEU 37 Cb 0.66 -0.15 -0.35 0.00 0.09 0.00 0.00 40.66 40.91 1zrj h LEU 37 CO 0.05 0.54 -0.85 -0.94 0.09 0.00 0.00 178.44 177.33 1zrj s SER 38 N -5.82 3.29 0.38 -0.43 1.04 -0.51 -5.11 113.70 106.54 1zrj s SER 38 Ca -0.13 -0.75 0.07 0.00 0.48 0.00 0.00 55.95 55.62 1zrj s SER 38 Cb 0.11 -1.45 -0.01 0.00 0.10 0.00 0.00 66.02 64.77 1zrj s SER 38 CO 0.75 -0.04 0.48 -0.83 0.98 0.00 0.00 173.24 174.58 1zrj s GLY 39 N 1.29 1.82 -0.28 7.32 0.00 -1.25 -4.55 107.32 111.65 1zrj s GLY 39 Ca 0.03 -1.61 -0.29 0.00 0.00 0.00 0.00 44.72 42.85 1zrj s GLY 39 CO -0.11 -1.48 1.65 2.56 0.00 0.00 0.00 173.10 175.72 1zrj s PRO 40 N -4.21 3.60 -1.06 2.90 0.04 -1.26 -4.94 135.00 130.07 1zrj s PRO 40 Ca 0.49 1.48 -0.21 0.00 0.04 0.00 0.00 61.00 62.80 1zrj s PRO 40 Cb -0.08 -4.09 0.08 0.00 0.04 0.00 0.00 34.50 30.44 1zrj s PRO 40 CO 0.31 -1.53 1.44 -1.54 0.04 0.00 0.00 177.00 175.71 1zrj s SER 41 N 4.86 6.62 0.31 6.66 1.04 -1.26 -4.85 113.70 127.07 1zrj s SER 41 Ca 0.73 -1.84 0.06 0.00 0.48 0.00 0.00 55.95 55.38 1zrj s SER 41 Cb -0.22 -2.53 0.86 0.00 0.10 0.00 0.00 66.02 64.22 1zrj s SER 41 CO 0.31 -1.31 1.47 -0.24 0.98 0.00 0.00 173.24 174.45 1zrj n SER 42 N 8.13 0.00 0.00 7.02 2.88 -1.26 -5.36 113.62 125.04 1zrj n SER 42 Ca 0.34 1.58 0.00 0.00 -1.33 0.00 0.00 58.87 59.47 1zrj n SER 42 Cb 0.49 -0.63 0.00 0.00 -0.75 0.00 0.00 64.21 63.33 1zrj n SER 42 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42