#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 5.09 0.01 1.61 1.04 -1.26 -5.10 113.70 115.10 1zrj s SER -5 Ca 0.00 -0.18 0.02 0.00 0.48 0.00 0.00 55.95 56.27 1zrj s SER -5 Cb 0.00 -1.90 -0.04 0.00 0.10 0.00 0.00 66.02 64.18 1zrj s SER -5 CO 0.00 0.01 -0.01 -0.55 0.98 0.00 0.00 173.24 173.67 1zrj s SER -4 N 1.35 5.01 0.00 7.02 0.15 -1.26 -5.12 113.70 120.86 1zrj s SER -4 Ca 0.05 -0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.65 1zrj s SER -4 Cb -0.15 -1.27 0.00 0.00 -1.71 0.00 0.00 66.02 62.89 1zrj s SER -4 CO 0.03 0.27 0.00 0.61 1.20 0.00 0.00 173.24 175.35 1zrj n GLY -3 N 1.33 -1.98 3.87 9.45 0.00 -1.26 -4.99 105.19 111.61 1zrj n GLY -3 Ca -0.14 -1.04 -0.31 0.00 0.00 0.00 0.00 46.02 44.53 1zrj n GLY -3 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1zrj s SER -2 N -1.64 6.60 -0.11 1.61 0.15 -1.26 -5.09 113.70 113.96 1zrj s SER -2 Ca 0.00 1.18 -0.08 0.00 0.70 0.00 0.00 55.95 57.76 1zrj s SER -2 Cb 0.00 -2.34 0.04 0.00 -1.71 0.00 0.00 66.02 62.01 1zrj s SER -2 CO 0.00 -0.34 0.28 -0.55 1.20 0.00 0.00 173.24 173.83 1zrj s SER -1 N -2.86 -0.31 -0.07 5.45 0.15 -1.26 -5.16 113.70 109.64 1zrj s SER -1 Ca 0.52 0.58 -0.17 0.00 0.70 0.00 0.00 55.95 57.58 1zrj s SER -1 Cb -0.10 0.52 0.04 0.00 -1.71 0.00 0.00 66.02 64.76 1zrj s SER -1 CO 0.27 -0.14 0.41 -0.83 1.20 0.00 0.00 173.24 174.15 1zrj s GLY 0 N 0.82 -0.28 -0.19 9.45 0.00 -1.26 -5.15 107.32 110.71 1zrj s GLY 0 Ca -0.06 0.78 -0.10 0.00 0.00 0.00 0.00 44.72 45.34 1zrj s GLY 0 CO -0.05 0.56 0.15 -0.29 0.00 0.00 0.00 173.10 173.47 1zrj s MET 1 N -0.78 4.16 -0.92 2.90 0.00 -1.26 -5.04 119.30 118.36 1zrj s MET 1 Ca -0.09 -0.18 -0.20 0.00 0.00 0.00 0.00 55.69 55.22 1zrj s MET 1 Cb -0.04 -3.41 0.10 0.00 0.00 0.00 0.00 34.83 31.49 1zrj s MET 1 CO 0.04 0.32 1.20 -0.51 0.00 0.00 0.00 175.02 176.06 1zrj s ASP 2 N 0.31 6.54 0.40 1.11 1.11 -1.26 -4.84 116.67 120.04 1zrj s ASP 2 Ca 0.09 -1.75 0.11 0.00 0.18 0.00 0.00 52.55 51.18 1zrj s ASP 2 Cb -0.11 -2.45 0.83 0.00 1.07 0.00 0.00 42.92 42.26 1zrj s ASP 2 CO -0.01 -1.23 1.93 1.62 1.18 0.00 0.00 175.17 178.66 1zrj h VAL 3 N 6.10 1.17 0.00 -1.27 3.04 -1.96 -1.29 116.25 122.04 1zrj h VAL 3 Ca 0.11 -0.76 0.00 0.00 -1.01 0.00 0.00 66.70 65.05 1zrj h VAL 3 Cb 1.03 1.25 0.00 0.00 -2.01 0.00 0.00 31.29 31.56 1zrj h VAL 3 CO 1.20 0.23 0.00 0.08 -1.01 0.00 0.00 177.57 178.07 1zrj h ARG 4 N 0.16 0.00 0.00 4.17 0.11 -1.95 -2.85 114.38 114.03 1zrj h ARG 4 Ca 0.03 0.00 -0.31 0.00 0.10 0.00 0.00 59.98 59.81 1zrj h ARG 4 Cb 0.37 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.39 1zrj h ARG 4 CO 0.02 0.00 -2.13 -2.13 0.10 0.00 0.00 179.97 175.83 1zrj n ARG 5 N -2.34 0.67 -1.69 0.08 0.63 -0.55 -4.95 116.66 108.51 1zrj n ARG 5 Ca 0.02 0.06 -0.44 0.00 -0.92 0.00 0.00 57.85 56.57 1zrj n ARG 5 Cb 0.25 -1.60 -0.03 0.00 0.45 0.00 0.00 32.46 31.53 1zrj n ARG 5 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 1zrj n LEU 6 N -2.79 3.41 -4.54 6.15 4.77 -0.83 -4.95 117.00 118.21 1zrj n LEU 6 Ca -0.25 1.14 -0.28 0.00 -0.03 0.00 0.00 56.01 56.58 1zrj n LEU 6 Cb 1.06 -1.47 0.23 0.00 -2.33 0.00 0.00 43.42 40.92 1zrj n LEU 6 CO 0.44 -0.32 0.55 -0.54 -1.33 0.00 0.00 177.39 176.19 1zrj s LYS 7 N -0.30 -0.56 0.27 3.23 3.01 -1.26 -4.69 119.74 119.44 1zrj s LYS 7 Ca 0.68 0.80 -0.04 0.00 -1.01 0.00 0.00 55.97 56.39 1zrj s LYS 7 Cb -0.61 -1.60 0.34 0.00 -1.01 0.00 0.00 37.83 34.95 1zrj s LYS 7 CO 0.48 -3.47 1.94 -0.39 0.51 0.00 0.00 175.35 174.42 1zrj h VAL 8 N -2.44 1.22 -0.56 3.17 -1.51 -1.97 -1.35 116.25 112.82 1zrj h VAL 8 Ca -0.59 -0.43 -0.11 0.00 -1.23 0.00 0.00 66.70 64.33 1zrj h VAL 8 Cb 1.33 -0.15 -0.02 0.00 -2.13 0.00 0.00 31.29 30.32 1zrj h VAL 8 CO 0.52 0.23 -0.09 0.78 -1.23 0.00 0.00 177.57 177.78 1zrj h ASN 9 N 1.27 1.05 -0.33 4.19 4.21 -1.99 -1.38 115.58 122.60 1zrj h ASN 9 Ca 0.35 -0.34 -0.03 0.00 1.21 0.00 0.00 56.30 57.50 1zrj h ASN 9 Cb -0.11 -0.29 -0.01 0.00 -1.12 0.00 0.00 38.32 36.79 1zrj h ASN 9 CO -0.09 1.15 0.11 -0.33 -1.29 0.00 0.00 177.43 176.98 1zrj h GLU 10 N 0.94 0.51 -0.63 0.81 4.39 -1.76 -2.31 114.58 116.53 1zrj h GLU 10 Ca 0.15 -0.11 -0.07 0.00 0.34 0.00 0.00 59.36 59.67 1zrj h GLU 10 Cb 0.66 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.21 1zrj h GLU 10 CO 0.05 0.54 0.14 -0.07 -1.16 0.00 0.00 179.01 178.51 1zrj h LEU 11 N 0.38 0.98 -0.84 1.33 3.38 -1.20 -2.53 115.31 116.81 1zrj h LEU 11 Ca 0.11 -0.24 0.04 0.00 0.09 0.00 0.00 57.88 57.88 1zrj h LEU 11 Cb 0.24 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.68 1zrj h LEU 11 CO -0.00 0.97 0.53 -0.09 0.09 0.00 0.00 178.44 179.94 1zrj h ARG 12 N 0.94 0.99 -0.31 1.13 2.43 -1.10 -0.45 114.38 118.01 1zrj h ARG 12 Ca 0.20 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.28 1zrj h ARG 12 Cb 0.38 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.70 1zrj h ARG 12 CO 0.01 0.65 0.10 0.93 -1.51 0.00 0.00 179.97 180.15 1zrj h GLU 13 N 1.02 0.48 -0.66 0.20 5.08 -1.19 -0.63 114.58 118.89 1zrj h GLU 13 Ca 0.35 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.59 1zrj h GLU 13 Cb 0.06 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 1zrj h GLU 13 CO -0.13 0.52 0.37 0.93 -1.00 0.00 0.00 179.01 179.70 1zrj h GLU 14 N 0.34 0.92 -0.54 2.33 4.39 -1.02 -0.91 114.58 120.09 1zrj h GLU 14 Ca 0.10 -0.11 -0.09 0.00 0.34 0.00 0.00 59.36 59.61 1zrj h GLU 14 Cb 0.24 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 1zrj h GLU 14 CO -0.00 0.69 -0.02 -0.07 -1.16 0.00 0.00 179.01 178.45 1zrj h LEU 15 N 0.90 0.92 -0.96 1.33 3.38 -0.94 -2.57 115.31 117.37 1zrj h LEU 15 Ca 0.23 -0.25 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 1zrj h LEU 15 Cb 0.03 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 1zrj h LEU 15 CO -0.04 0.99 -0.29 -0.61 0.09 0.00 0.00 178.44 178.58 1zrj h GLN 16 N 0.86 0.41 0.00 1.13 4.15 -0.73 0.30 115.11 121.24 1zrj h GLN 16 Ca 0.16 -0.16 -0.09 0.00 0.77 0.00 0.00 58.65 59.32 1zrj h GLN 16 Cb 0.53 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 28.19 1zrj h GLN 16 CO 0.03 0.66 -0.43 0.00 -1.93 0.00 0.00 178.83 177.17 1zrj h ARG 17 N 0.36 0.00 -0.56 1.69 3.08 -0.88 -2.41 114.38 115.66 1zrj h ARG 17 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1zrj h ARG 17 Cb 0.70 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.75 1zrj h ARG 17 CO 0.05 0.43 0.00 0.54 -1.07 0.00 0.00 179.97 179.92 1zrj n ARG 18 N -3.92 2.51 -2.40 0.04 1.74 -0.99 -4.91 116.66 108.74 1zrj n ARG 18 Ca -0.01 -1.91 -0.19 0.00 -0.77 0.00 0.00 57.85 54.97 1zrj n ARG 18 Cb 0.47 -1.54 -0.01 0.00 -1.02 0.00 0.00 32.46 30.37 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 1.12 -0.41 3.81 -0.13 0.00 -0.91 -4.99 105.19 103.68 1zrj n GLY 19 Ca 0.18 -0.08 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 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 -5.50 3.98 0.22 0.99 1.43 0.10 -5.01 118.68 114.90 1zrj s LEU 20 Ca 0.02 0.14 -0.30 0.00 -1.03 0.00 0.00 54.13 52.95 1zrj s LEU 20 Cb -0.01 -2.46 -0.15 0.00 0.03 0.00 0.00 46.19 43.60 1zrj s LEU 20 CO 0.02 0.23 1.01 -0.67 0.23 0.00 0.00 176.35 177.17 1zrj n ASP 21 N 0.83 0.95 -2.09 2.29 -0.08 -1.26 -4.02 116.55 113.17 1zrj n ASP 21 Ca -0.10 1.16 -0.27 0.00 -1.51 0.00 0.00 54.79 54.06 1zrj n ASP 21 Cb 0.52 -1.20 0.08 0.00 2.34 0.00 0.00 41.12 42.86 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 0.76 3.12 -4.59 5.18 -2.24 -1.26 -4.84 114.28 110.41 1zrj n THR 22 Ca 0.13 -3.25 -0.27 0.00 -2.27 0.00 0.00 64.05 58.39 1zrj n THR 22 Cb 0.27 -1.00 -0.11 0.00 -2.10 0.00 0.00 70.33 67.39 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 -3.65 1.91 0.00 -0.78 0.52 -1.26 -5.03 118.95 110.66 1zrj s ARG 23 Ca 0.58 -2.05 0.00 0.00 -0.52 0.00 0.00 55.73 53.73 1zrj s ARG 23 Cb 0.46 -1.65 0.00 0.00 0.52 0.00 0.00 34.95 34.28 1zrj s ARG 23 CO 0.02 0.01 0.00 0.41 0.02 0.00 0.00 175.30 175.75 1zrj n GLY 24 N -0.91 1.74 3.55 -3.53 0.00 -1.26 -4.62 105.19 100.15 1zrj n GLY 24 Ca -0.05 -1.89 -0.29 0.00 0.00 0.00 0.00 46.02 43.79 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 -0.29 1.48 0.15 0.99 1.43 -1.26 -4.61 118.68 116.57 1zrj s LEU 25 Ca 0.00 1.73 -0.22 0.00 -1.03 0.00 0.00 54.13 54.61 1zrj s LEU 25 Cb 0.00 -3.79 0.02 0.00 0.03 0.00 0.00 46.19 42.45 1zrj s LEU 25 CO 0.00 -3.84 1.64 0.50 0.23 0.00 0.00 176.35 174.88 1zrj h LYS 26 N -2.37 -0.22 -0.85 1.70 3.64 -1.98 0.07 116.57 116.57 1zrj h LYS 26 Ca -0.56 0.01 0.12 0.00 -1.27 0.00 0.00 60.65 58.96 1zrj h LYS 26 Cb 1.31 0.05 -0.08 0.00 -0.41 0.00 0.00 32.23 33.10 1zrj h LYS 26 CO 0.48 -0.15 0.47 0.00 -2.27 0.00 0.00 179.45 177.98 1zrj h ALA 27 N 0.84 1.25 -0.69 5.00 0.00 -1.99 0.10 119.26 123.77 1zrj h ALA 27 Ca 0.13 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 1zrj h ALA 27 Cb 0.42 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1zrj h ALA 27 CO -0.35 0.02 0.17 0.93 0.00 0.00 0.00 179.25 180.01 1zrj h GLU 28 N 0.72 1.10 -0.35 0.00 5.08 -1.58 -1.97 114.58 117.58 1zrj h GLU 28 Ca 0.43 -0.27 -0.12 0.00 -1.00 0.00 0.00 59.36 58.41 1zrj h GLU 28 Cb 0.51 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1zrj h GLU 28 CO -0.30 0.98 -0.27 -0.07 -1.00 0.00 0.00 179.01 178.35 1zrj h LEU 29 N 1.03 0.73 -0.18 1.33 3.38 0.31 -2.16 115.31 119.76 1zrj h LEU 29 Ca 0.22 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1zrj h LEU 29 Cb 0.37 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1zrj h LEU 29 CO 0.00 0.96 0.05 0.00 0.09 0.00 0.00 178.44 179.55 1zrj h ALA 30 N 1.09 0.23 -0.74 1.53 0.00 -0.60 -1.82 119.26 118.95 1zrj h ALA 30 Ca 0.08 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1zrj h ALA 30 Cb 0.77 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1zrj h ALA 30 CO 0.06 -0.14 0.37 0.93 0.00 0.00 0.00 179.25 180.47 1zrj h GLU 31 N 0.10 1.06 -0.30 0.00 5.08 -1.32 -0.37 114.58 118.84 1zrj h GLU 31 Ca 0.06 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1zrj h GLU 31 Cb 0.24 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1zrj h GLU 31 CO -0.00 0.83 0.19 -0.09 -1.00 0.00 0.00 179.01 178.93 1zrj h ARG 32 N 1.04 0.40 -0.39 2.33 2.43 -1.27 -0.26 114.38 118.67 1zrj h ARG 32 Ca 0.26 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.34 1zrj h ARG 32 Cb 0.11 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 1zrj h ARG 32 CO -0.03 0.30 0.05 1.25 -1.51 0.00 0.00 179.97 180.02 1zrj h LEU 33 N 0.39 0.63 -0.58 3.80 5.85 -1.10 -2.87 115.31 121.43 1zrj h LEU 33 Ca 0.11 -0.27 0.01 0.00 0.84 0.00 0.00 57.88 58.57 1zrj h LEU 33 Cb -0.01 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.82 1zrj h LEU 33 CO -0.02 0.74 0.37 -0.61 -0.34 0.00 0.00 178.44 178.59 1zrj h GLN 34 N 0.49 0.73 -0.90 1.25 -0.00 -0.86 0.99 115.11 116.81 1zrj h GLN 34 Ca 0.12 -0.04 0.09 0.00 -0.00 0.00 0.00 58.65 58.81 1zrj h GLN 34 Cb 0.39 -0.16 -0.06 0.00 0.00 0.00 0.00 27.48 27.65 1zrj h GLN 34 CO 0.01 0.48 0.58 0.00 0.00 0.00 0.00 178.83 179.90 1zrj h ALA 35 N 1.23 1.60 0.09 3.38 0.00 -0.93 0.12 119.26 124.75 1zrj h ALA 35 Ca 0.22 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.84 1zrj h ALA 35 Cb -0.04 -0.22 0.02 0.00 0.00 0.00 0.00 17.79 17.55 1zrj h ALA 35 CO -0.07 0.23 -1.18 0.00 0.00 0.00 0.00 179.25 178.23 1zrj h ALA 36 N 1.54 0.09 -0.20 0.00 0.00 -1.17 -3.32 119.26 116.20 1zrj h ALA 36 Ca 0.41 -0.77 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 1zrj h ALA 36 Cb 0.36 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1zrj h ALA 36 CO -0.17 0.76 0.07 -0.07 0.00 0.00 0.00 179.25 179.83 1zrj h LEU 37 N 0.24 0.29 -9.22 0.00 3.38 -0.09 -3.41 115.31 106.50 1zrj h LEU 37 Ca -0.16 -0.19 -0.55 0.00 0.09 0.00 0.00 57.88 57.07 1zrj h LEU 37 Cb 1.85 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 42.52 1zrj h LEU 37 CO 0.22 0.40 1.17 -0.44 0.09 0.00 0.00 178.44 179.88 1zrj s SER 38 N -5.65 6.45 -0.04 -0.43 0.01 0.35 -4.97 113.70 109.41 1zrj s SER 38 Ca -0.14 2.20 -0.13 0.00 1.31 0.00 0.00 55.95 59.19 1zrj s SER 38 Cb 0.07 -2.53 0.02 0.00 0.21 0.00 0.00 66.02 63.79 1zrj s SER 38 CO 0.71 -1.12 0.30 -0.83 0.41 0.00 0.00 173.24 172.71 1zrj s GLY 39 N 4.25 -0.15 0.84 3.44 0.00 -1.26 -4.91 107.32 109.52 1zrj s GLY 39 Ca 0.79 0.42 -0.11 0.00 0.00 0.00 0.00 44.72 45.82 1zrj s GLY 39 CO 0.33 0.23 1.09 2.56 0.00 0.00 0.00 173.10 177.32 1zrj s PRO 40 N -0.98 1.71 -0.20 2.90 0.04 -1.26 -5.08 135.00 132.13 1zrj s PRO 40 Ca -0.10 0.98 -0.26 0.00 0.04 0.00 0.00 61.00 61.65 1zrj s PRO 40 Cb -0.05 -1.85 0.07 0.00 0.04 0.00 0.00 34.50 32.71 1zrj s PRO 40 CO 0.03 -1.97 0.69 -1.54 0.04 0.00 0.00 177.00 174.25 1zrj s SER 41 N -3.41 -0.71 -0.57 6.66 1.04 -1.26 -5.11 113.70 110.34 1zrj s SER 41 Ca 0.62 1.20 -0.28 0.00 0.48 0.00 0.00 55.95 57.97 1zrj s SER 41 Cb -0.18 1.16 0.01 0.00 0.10 0.00 0.00 66.02 67.11 1zrj s SER 41 CO 0.57 -0.36 1.45 -0.44 0.98 0.00 0.00 173.24 175.44 1zrj s SER 42 N -0.11 6.05 0.00 7.02 0.01 -1.26 -5.37 113.70 120.04 1zrj s SER 42 Ca -0.03 0.27 0.00 0.00 1.31 0.00 0.00 55.95 57.49 1zrj s SER 42 Cb -0.03 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.65 1zrj s SER 42 CO 0.04 -1.77 0.00 0.61 0.41 0.00 0.00 173.24 172.52