#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zrj n SER -5 N 0.00 1.65 -4.73 1.61 3.41 -1.26 -4.83 113.62 109.47 1zrj n SER -5 Ca 0.00 0.29 -0.41 0.00 -0.26 0.00 0.00 58.87 58.48 1zrj n SER -5 Cb 0.00 -0.68 -0.04 0.00 -0.26 0.00 0.00 64.21 63.23 1zrj n SER -5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1zrj s SER -4 N -7.00 7.26 0.00 4.04 0.15 -1.26 -4.40 113.70 112.48 1zrj s SER -4 Ca -0.32 2.00 0.00 0.00 0.70 0.00 0.00 55.95 58.34 1zrj s SER -4 Cb 0.12 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.83 1zrj s SER -4 CO 0.41 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 175.19 1zrj n GLY -3 N 2.40 0.00 0.23 9.45 0.00 -1.26 -4.80 105.19 111.20 1zrj n GLY -3 Ca 0.04 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.05 1zrj n GLY -3 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1zrj h SER -2 N 3.30 0.23 -3.44 1.61 0.02 -1.88 -3.36 113.55 110.03 1zrj h SER -2 Ca 0.00 0.07 -0.72 0.00 -0.84 0.00 0.00 61.79 60.30 1zrj h SER -2 Cb 0.88 0.05 -0.25 0.00 0.14 0.00 0.00 62.40 63.22 1zrj h SER -2 CO 0.00 0.15 -0.43 -0.44 -1.14 0.00 0.00 176.83 174.96 1zrj s SER -1 N -5.40 5.86 0.27 3.07 0.01 -1.26 -5.00 113.70 111.26 1zrj s SER -1 Ca -0.13 -1.28 0.00 0.00 1.31 0.00 0.00 55.95 55.85 1zrj s SER -1 Cb 0.16 -2.07 0.00 0.00 0.21 0.00 0.00 66.02 64.32 1zrj s SER -1 CO 0.74 -0.53 0.00 0.61 0.41 0.00 0.00 173.24 174.47 1zrj n GLY 0 N 5.05 -1.93 3.18 3.44 0.00 -1.26 -4.70 105.19 108.97 1zrj n GLY 0 Ca -0.11 -1.29 -0.38 0.00 0.00 0.00 0.00 46.02 44.24 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 -1.37 2.27 -0.71 1.61 0.00 -1.26 -4.62 119.30 115.22 1zrj s MET 1 Ca 0.00 -1.65 -0.26 0.00 0.00 0.00 0.00 55.69 53.78 1zrj s MET 1 Cb 0.00 -3.63 -0.04 0.00 0.00 0.00 0.00 34.83 31.16 1zrj s MET 1 CO 0.00 -1.00 1.98 -0.51 0.00 0.00 0.00 175.02 175.49 1zrj s ASP 2 N 1.94 5.06 0.08 1.11 1.01 -1.26 -4.81 116.67 119.80 1zrj s ASP 2 Ca 0.05 0.05 -0.17 0.00 0.71 0.00 0.00 52.55 53.19 1zrj s ASP 2 Cb -0.23 -2.54 -0.09 0.00 1.01 0.00 0.00 42.92 41.07 1zrj s ASP 2 CO -0.02 -2.65 1.43 1.62 0.21 0.00 0.00 175.17 175.76 1zrj h VAL 3 N 7.14 1.31 -1.76 -1.27 3.04 -1.98 -3.01 116.25 119.72 1zrj h VAL 3 Ca -0.12 -1.30 0.51 0.00 -1.01 0.00 0.00 66.70 64.78 1zrj h VAL 3 Cb 1.11 1.58 -0.07 0.00 -2.01 0.00 0.00 31.29 31.90 1zrj h VAL 3 CO 1.20 0.41 1.31 0.08 -1.01 0.00 0.00 177.57 179.55 1zrj h ARG 4 N 0.30 0.00 -1.01 4.17 -0.00 -1.96 1.28 114.38 117.16 1zrj h ARG 4 Ca 0.05 0.00 -0.12 0.00 -0.00 0.00 0.00 59.98 59.91 1zrj h ARG 4 Cb 0.71 0.00 -0.07 0.00 -0.00 0.00 0.00 29.97 30.61 1zrj h ARG 4 CO 0.05 0.00 0.16 0.54 -0.00 0.00 0.00 179.97 180.72 1zrj n ARG 5 N -3.91 1.30 -3.88 0.08 1.74 -1.14 -4.72 116.66 106.13 1zrj n ARG 5 Ca 0.39 -0.71 -0.29 0.00 -0.77 0.00 0.00 57.85 56.47 1zrj n ARG 5 Cb 1.84 -1.28 -0.16 0.00 -1.02 0.00 0.00 32.46 31.84 1zrj n ARG 5 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1zrj s LEU 6 N -0.78 1.88 1.29 0.55 1.43 0.44 -5.11 118.68 118.38 1zrj s LEU 6 Ca 0.14 -0.87 -0.17 0.00 -1.03 0.00 0.00 54.13 52.19 1zrj s LEU 6 Cb 0.11 -0.95 0.32 0.00 0.03 0.00 0.00 46.19 45.70 1zrj s LEU 6 CO 0.03 -0.22 0.87 0.29 0.23 0.00 0.00 176.35 177.55 1zrj n LYS 7 N 4.83 -3.39 -0.32 1.70 4.01 -1.26 -4.49 118.16 119.25 1zrj n LYS 7 Ca -0.11 -0.98 0.04 0.00 -0.51 0.00 0.00 58.31 56.75 1zrj n LYS 7 Cb 0.46 -2.02 0.23 0.00 -0.51 0.00 0.00 35.03 33.20 1zrj n LYS 7 CO 0.00 0.00 0.00 -0.39 -1.11 0.00 0.00 177.40 175.90 1zrj h VAL 8 N -3.04 1.04 -0.56 -0.18 -1.51 -1.99 0.00 116.25 110.01 1zrj h VAL 8 Ca -0.54 -0.36 -0.08 0.00 -1.23 0.00 0.00 66.70 64.49 1zrj h VAL 8 Cb 1.32 -0.08 -0.02 0.00 -2.13 0.00 0.00 31.29 30.38 1zrj h VAL 8 CO 0.39 0.19 0.03 -0.55 -1.23 0.00 0.00 177.57 176.40 1zrj h ASN 9 N 1.04 0.94 -0.49 4.19 7.08 -1.99 -0.83 115.58 125.52 1zrj h ASN 9 Ca 0.41 -0.29 -0.11 0.00 -3.08 0.00 0.00 56.30 53.23 1zrj h ASN 9 Cb 0.25 -0.25 -0.01 0.00 -2.08 0.00 0.00 38.32 36.22 1zrj h ASN 9 CO -0.17 1.00 -0.14 -0.33 -2.08 0.00 0.00 177.43 175.72 1zrj h GLU 10 N 0.85 0.95 -0.49 4.14 4.39 -1.64 -2.44 114.58 120.35 1zrj h GLU 10 Ca 0.16 -0.37 -0.08 0.00 0.34 0.00 0.00 59.36 59.41 1zrj h GLU 10 Cb 0.50 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.08 1zrj h GLU 10 CO 0.02 1.04 -0.01 -0.07 -1.16 0.00 0.00 179.01 178.83 1zrj h LEU 11 N 0.80 0.86 -0.80 1.33 3.38 -0.90 -2.50 115.31 117.49 1zrj h LEU 11 Ca 0.12 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 1zrj h LEU 11 Cb 0.70 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 1zrj h LEU 11 CO 0.05 0.96 0.50 0.03 0.09 0.00 0.00 178.44 180.07 1zrj h ARG 12 N 0.73 1.07 -0.38 1.13 3.08 -1.08 0.30 114.38 119.23 1zrj h ARG 12 Ca 0.14 -0.09 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 1zrj h ARG 12 Cb 0.53 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.34 1zrj h ARG 12 CO 0.03 0.74 0.18 0.93 -1.07 0.00 0.00 179.97 180.78 1zrj h GLU 13 N 1.09 0.55 -0.27 0.04 4.39 -1.30 0.16 114.58 119.24 1zrj h GLU 13 Ca 0.29 -0.08 -0.03 0.00 0.34 0.00 0.00 59.36 59.88 1zrj h GLU 13 Cb -0.07 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.47 1zrj h GLU 13 CO -0.06 0.48 0.04 0.93 -1.16 0.00 0.00 179.01 179.24 1zrj h GLU 14 N 0.48 0.44 -0.61 2.33 4.39 -1.12 -0.92 114.58 119.57 1zrj h GLU 14 Ca 0.13 -0.12 -0.04 0.00 0.34 0.00 0.00 59.36 59.67 1zrj h GLU 14 Cb 0.11 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.69 1zrj h GLU 14 CO -0.02 0.57 0.23 -0.07 -1.16 0.00 0.00 179.01 178.56 1zrj h LEU 15 N 0.25 0.85 -0.41 1.33 3.38 -0.82 -2.41 115.31 117.48 1zrj h LEU 15 Ca 0.08 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 1zrj h LEU 15 Cb 0.34 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 1zrj h LEU 15 CO 0.01 0.79 0.13 -0.61 0.09 0.00 0.00 178.44 178.85 1zrj h GLN 16 N 0.85 0.63 -0.44 1.13 4.15 -0.58 0.16 115.11 121.01 1zrj h GLN 16 Ca 0.20 -0.13 0.04 0.00 0.77 0.00 0.00 58.65 59.53 1zrj h GLN 16 Cb 0.22 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.79 1zrj h GLN 16 CO -0.01 0.62 0.29 0.00 -1.93 0.00 0.00 178.83 177.80 1zrj h ARG 17 N 0.52 0.43 0.00 1.69 3.08 -0.99 -1.35 114.38 117.76 1zrj h ARG 17 Ca 0.13 -0.03 -0.17 0.00 0.07 0.00 0.00 59.98 59.98 1zrj h ARG 17 Cb 0.25 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.18 1zrj h ARG 17 CO -0.01 0.28 -1.03 0.00 -1.07 0.00 0.00 179.97 178.15 1zrj h ARG 18 N 0.44 0.00 0.00 0.04 3.08 -1.04 -3.48 114.38 113.42 1zrj h ARG 18 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 1zrj h ARG 18 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.22 1zrj h ARG 18 CO -0.04 0.57 0.00 0.41 -1.07 0.00 0.00 179.97 179.83 1zrj n GLY 19 N 1.35 0.97 3.88 0.04 0.00 0.29 -5.09 105.19 106.63 1zrj n GLY 19 Ca -0.04 -0.05 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 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 0.00 4.21 0.20 0.99 1.43 0.27 -4.99 118.68 120.79 1zrj s LEU 20 Ca 0.00 0.78 -0.31 0.00 -1.03 0.00 0.00 54.13 53.57 1zrj s LEU 20 Cb 0.00 -3.51 -0.16 0.00 0.03 0.00 0.00 46.19 42.55 1zrj s LEU 20 CO 0.00 -0.02 0.97 -0.67 0.23 0.00 0.00 176.35 176.87 1zrj n ASP 21 N -0.02 0.66 -1.67 2.29 -0.08 -1.26 -4.28 116.55 112.19 1zrj n ASP 21 Ca -0.01 1.15 -0.16 0.00 -1.51 0.00 0.00 54.79 54.26 1zrj n ASP 21 Cb 0.52 -1.15 0.14 0.00 2.34 0.00 0.00 41.12 42.97 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 0.82 2.83 -4.29 5.18 -2.24 -1.26 -4.91 114.28 110.41 1zrj n THR 22 Ca 0.15 -2.97 -0.24 0.00 -2.27 0.00 0.00 64.05 58.71 1zrj n THR 22 Cb 0.25 -0.64 -0.08 0.00 -2.10 0.00 0.00 70.33 67.76 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 -3.43 2.14 0.00 -0.78 0.52 -1.26 -5.04 118.95 111.10 1zrj s ARG 23 Ca 0.51 -1.68 0.00 0.00 -0.52 0.00 0.00 55.73 54.04 1zrj s ARG 23 Cb 0.44 -1.99 0.00 0.00 0.52 0.00 0.00 34.95 33.91 1zrj s ARG 23 CO 0.02 0.16 0.00 0.41 0.02 0.00 0.00 175.30 175.90 1zrj n GLY 24 N -0.98 2.31 3.26 -3.53 0.00 -1.26 -4.65 105.19 100.34 1zrj n GLY 24 Ca -0.04 -1.84 -0.34 0.00 0.00 0.00 0.00 46.02 43.80 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 -2.25 -0.17 0.99 4.77 -1.26 -4.53 117.00 114.55 1zrj n LEU 25 Ca 0.00 0.21 -0.01 0.00 -0.03 0.00 0.00 56.01 56.17 1zrj n LEU 25 Cb 0.00 -1.01 0.07 0.00 -2.33 0.00 0.00 43.42 40.16 1zrj n LEU 25 CO 0.00 -4.13 0.89 0.50 -1.33 0.00 0.00 177.39 173.31 1zrj h LYS 26 N -1.45 0.19 -0.95 3.23 3.11 -1.99 -0.54 116.57 118.16 1zrj h LYS 26 Ca -0.45 -0.01 0.02 0.00 -2.81 0.00 0.00 60.65 57.40 1zrj h LYS 26 Cb 1.30 -0.04 -0.05 0.00 -1.00 0.00 0.00 32.23 32.44 1zrj h LYS 26 CO 0.31 0.12 0.63 0.00 -2.81 0.00 0.00 179.45 177.70 1zrj h ALA 27 N 1.43 1.35 -0.53 5.00 0.00 -2.00 -1.78 119.26 122.73 1zrj h ALA 27 Ca 0.27 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 1zrj h ALA 27 Cb 0.39 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1zrj h ALA 27 CO -0.38 0.58 0.22 0.93 0.00 0.00 0.00 179.25 180.61 1zrj h GLU 28 N 1.25 0.75 -0.45 0.00 4.39 -1.43 -1.71 114.58 117.40 1zrj h GLU 28 Ca 0.36 -0.10 -0.11 0.00 0.34 0.00 0.00 59.36 59.84 1zrj h GLU 28 Cb -0.08 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.42 1zrj h GLU 28 CO -0.09 0.61 -0.17 -0.07 -1.16 0.00 0.00 179.01 178.13 1zrj h LEU 29 N 0.75 0.92 -0.44 1.33 3.38 -0.48 -2.04 115.31 118.72 1zrj h LEU 29 Ca 0.18 -0.39 -0.04 0.00 0.09 0.00 0.00 57.88 57.73 1zrj h LEU 29 Cb 0.13 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1zrj h LEU 29 CO -0.02 1.10 0.11 0.00 0.09 0.00 0.00 178.44 179.72 1zrj h ALA 30 N 0.85 0.58 -0.67 1.53 0.00 -1.02 -0.37 119.26 120.16 1zrj h ALA 30 Ca 0.11 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1zrj h ALA 30 Cb 0.73 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1zrj h ALA 30 CO 0.06 0.25 0.23 0.93 0.00 0.00 0.00 179.25 180.72 1zrj h GLU 31 N 0.58 1.01 -0.26 0.00 4.39 -1.27 -0.49 114.58 118.53 1zrj h GLU 31 Ca 0.14 -0.19 -0.11 0.00 0.34 0.00 0.00 59.36 59.53 1zrj h GLU 31 Cb 0.31 -0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 28.79 1zrj h GLU 31 CO 0.00 0.85 -0.28 -0.09 -1.16 0.00 0.00 179.01 178.33 1zrj h ARG 32 N 0.98 0.65 -0.43 2.33 2.43 -1.16 -2.54 114.38 116.64 1zrj h ARG 32 Ca 0.22 -0.35 -0.03 0.00 -0.81 0.00 0.00 59.98 59.01 1zrj h ARG 32 Cb 0.25 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 1zrj h ARG 32 CO -0.01 0.96 0.13 1.25 -1.51 0.00 0.00 179.97 180.79 1zrj h LEU 33 N 0.37 0.62 -0.60 3.80 5.85 -0.86 -2.77 115.31 121.72 1zrj h LEU 33 Ca 0.04 -0.21 0.02 0.00 0.84 0.00 0.00 57.88 58.57 1zrj h LEU 33 Cb 0.85 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.68 1zrj h LEU 33 CO 0.07 0.67 0.38 -0.61 -0.34 0.00 0.00 178.44 178.60 1zrj h GLN 34 N 0.55 0.73 -0.83 1.25 -0.00 -1.10 -0.49 115.11 115.21 1zrj h GLN 34 Ca 0.14 -0.04 0.07 0.00 -0.00 0.00 0.00 58.65 58.81 1zrj h GLN 34 Cb 0.27 -0.16 -0.05 0.00 0.00 0.00 0.00 27.48 27.53 1zrj h GLN 34 CO -0.00 0.48 0.54 0.00 0.00 0.00 0.00 178.83 179.85 1zrj h ALA 35 N 1.25 1.61 -0.05 3.38 0.00 -1.29 -0.11 119.26 124.04 1zrj h ALA 35 Ca 0.23 -0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.90 1zrj h ALA 35 Cb -0.01 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.55 1zrj h ALA 35 CO -0.08 0.25 -0.87 0.00 0.00 0.00 0.00 179.25 178.55 1zrj h ALA 36 N 1.55 0.38 0.05 0.00 0.00 -1.10 -3.30 119.26 116.85 1zrj h ALA 36 Ca 0.36 -0.66 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 1zrj h ALA 36 Cb 0.26 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1zrj h ALA 36 CO -0.13 0.75 -0.02 -0.07 0.00 0.00 0.00 179.25 179.78 1zrj h LEU 37 N 0.33 -0.06 -8.39 0.00 3.38 -0.27 -3.42 115.31 106.90 1zrj h LEU 37 Ca -0.07 -0.23 -0.57 0.00 0.09 0.00 0.00 57.88 57.10 1zrj h LEU 37 Cb 1.49 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 42.22 1zrj h LEU 37 CO 0.16 0.20 1.57 -0.24 0.09 0.00 0.00 178.44 180.22 1zrj n SER 38 N -5.00 1.62 -4.34 -0.43 2.88 -0.14 -4.83 113.62 103.38 1zrj n SER 38 Ca -0.08 0.11 -0.41 0.00 -1.33 0.00 0.00 58.87 57.16 1zrj n SER 38 Cb 0.16 -1.24 0.00 0.00 -0.75 0.00 0.00 64.21 62.38 1zrj n SER 38 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1zrj n GLY 39 N 6.44 -2.41 3.73 0.46 0.00 -1.26 -4.85 105.19 107.30 1zrj n GLY 39 Ca 0.47 -0.03 -0.41 0.00 0.00 0.00 0.00 46.02 46.05 1zrj n GLY 39 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1zrj s PRO 40 N -1.23 4.38 -0.04 1.61 0.04 -1.26 -4.96 135.00 133.55 1zrj s PRO 40 Ca 0.61 2.04 -0.23 0.00 0.04 0.00 0.00 61.00 63.47 1zrj s PRO 40 Cb -0.60 -3.21 -0.25 0.00 0.04 0.00 0.00 34.50 30.49 1zrj s PRO 40 CO 0.61 -0.28 1.02 0.77 0.04 0.00 0.00 177.00 179.17 1zrj h SER 41 N 5.62 0.36 0.00 6.66 0.02 -2.03 -3.41 113.55 120.77 1zrj h SER 41 Ca -0.44 -0.81 -0.23 0.00 -0.84 0.00 0.00 61.79 59.47 1zrj h SER 41 Cb 1.21 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 63.61 1zrj h SER 41 CO 0.79 1.13 -1.80 -0.24 -1.14 0.00 0.00 176.83 175.56 1zrj n SER 42 N -4.35 1.75 0.00 3.07 2.88 -1.26 -5.35 113.62 110.36 1zrj n SER 42 Ca -0.11 0.08 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 1zrj n SER 42 Cb 0.61 -0.35 0.00 0.00 -0.75 0.00 0.00 64.21 63.72 1zrj n SER 42 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42