#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 1.93 -3.64 1.61 2.88 -1.26 -5.01 113.62 110.13 1zrj n SER -5 Ca 0.00 0.35 -0.23 0.00 -1.33 0.00 0.00 58.87 57.65 1zrj n SER -5 Cb 0.00 -0.75 0.07 0.00 -0.75 0.00 0.00 64.21 62.77 1zrj n SER -5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1zrj n SER -4 N -4.45 -4.49 0.00 -3.46 7.64 -1.26 -4.81 113.62 102.79 1zrj n SER -4 Ca -0.17 -0.64 0.00 0.00 1.01 0.00 0.00 58.87 59.07 1zrj n SER -4 Cb 0.54 -4.70 0.00 0.00 -1.01 0.00 0.00 64.21 59.04 1zrj n SER -4 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1zrj n GLY -3 N -1.70 3.06 3.54 0.23 0.00 -1.26 -5.04 105.19 104.01 1zrj n GLY -3 Ca -0.09 -0.71 -0.57 0.00 0.00 0.00 0.00 46.02 44.66 1zrj n GLY -3 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1zrj n SER -2 N 0.00 1.91 -4.15 1.61 7.64 -1.26 -4.93 113.62 114.44 1zrj n SER -2 Ca 0.00 0.80 -0.18 0.00 1.01 0.00 0.00 58.87 60.49 1zrj n SER -2 Cb 0.00 -1.11 -0.12 0.00 -1.01 0.00 0.00 64.21 61.96 1zrj n SER -2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1zrj s SER -1 N 5.20 1.57 0.78 6.43 0.01 -1.26 -5.11 113.70 121.31 1zrj s SER -1 Ca 1.07 -0.55 -0.16 0.00 1.31 0.00 0.00 55.95 57.61 1zrj s SER -1 Cb -1.12 -0.06 -0.07 0.00 0.21 0.00 0.00 66.02 64.99 1zrj s SER -1 CO 0.62 -0.05 0.15 0.61 0.41 0.00 0.00 173.24 174.97 1zrj n GLY 0 N 1.51 -2.49 0.10 3.44 0.00 -1.26 -4.93 105.19 101.55 1zrj n GLY 0 Ca -0.20 -0.49 0.02 0.00 0.00 0.00 0.00 46.02 45.34 1zrj n GLY 0 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1zrj n MET 1 N 0.10 1.14 -3.06 1.61 -0.00 -1.26 -5.00 117.12 110.66 1zrj n MET 1 Ca 0.07 -1.23 -0.13 0.00 -0.00 0.00 0.00 57.70 56.41 1zrj n MET 1 Cb 0.51 -0.81 0.04 0.00 -0.00 0.00 0.00 33.22 32.96 1zrj n MET 1 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 1zrj n ASP 2 N -0.38 -4.45 -0.23 3.17 9.92 -1.26 -4.89 116.55 118.43 1zrj n ASP 2 Ca 0.02 -0.29 0.27 0.00 -0.53 0.00 0.00 54.79 54.27 1zrj n ASP 2 Cb 0.48 -3.06 0.66 0.00 -0.64 0.00 0.00 41.12 38.55 1zrj n ASP 2 CO 0.00 0.00 0.00 1.62 0.13 0.00 0.00 177.20 178.95 1zrj h VAL 3 N -1.43 0.55 -0.31 2.53 3.04 -1.96 0.36 116.25 119.02 1zrj h VAL 3 Ca -0.32 -0.04 0.04 0.00 -1.01 0.00 0.00 66.70 65.37 1zrj h VAL 3 Cb 1.21 0.41 -0.02 0.00 -2.01 0.00 0.00 31.29 30.88 1zrj h VAL 3 CO 0.32 0.02 0.21 0.03 -1.01 0.00 0.00 177.57 177.15 1zrj h ARG 4 N 0.13 0.23 0.00 4.17 3.08 -1.93 -0.30 114.38 119.75 1zrj h ARG 4 Ca 0.48 -0.01 -0.07 0.00 0.07 0.00 0.00 59.98 60.44 1zrj h ARG 4 Cb 1.67 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.65 1zrj h ARG 4 CO -0.08 0.15 -0.35 0.00 -1.07 0.00 0.00 179.97 178.62 1zrj h ARG 5 N 0.24 0.00 -6.31 0.04 2.47 -0.64 -3.42 114.38 106.76 1zrj h ARG 5 Ca 0.14 0.00 -0.58 0.00 -1.26 0.00 0.00 59.98 58.28 1zrj h ARG 5 Cb 0.25 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.54 1zrj h ARG 5 CO -0.03 0.35 1.24 -0.51 0.56 0.00 0.00 179.97 181.59 1zrj s LEU 6 N -8.00 3.53 1.11 3.04 1.43 -0.13 -4.97 118.68 114.69 1zrj s LEU 6 Ca -0.03 1.26 -0.20 0.00 -1.03 0.00 0.00 54.13 54.14 1zrj s LEU 6 Cb 0.14 -3.53 0.08 0.00 0.03 0.00 0.00 46.19 42.91 1zrj s LEU 6 CO 0.71 -1.65 -0.14 0.29 0.23 0.00 0.00 176.35 175.79 1zrj n LYS 7 N 8.35 -1.52 -0.31 1.70 4.76 -1.26 -4.36 118.16 125.52 1zrj n LYS 7 Ca 0.22 -0.43 0.04 0.00 -2.87 0.00 0.00 58.31 55.27 1zrj n LYS 7 Cb 0.47 -1.62 0.18 0.00 -1.84 0.00 0.00 35.03 32.22 1zrj n LYS 7 CO 0.00 0.00 0.00 -0.39 -1.37 0.00 0.00 177.40 175.64 1zrj h VAL 8 N -2.01 0.91 -0.81 -0.18 -1.51 -1.93 -0.52 116.25 110.21 1zrj h VAL 8 Ca -0.52 -0.29 -0.02 0.00 -1.23 0.00 0.00 66.70 64.64 1zrj h VAL 8 Cb 1.35 -0.00 -0.04 0.00 -2.13 0.00 0.00 31.29 30.47 1zrj h VAL 8 CO 0.36 0.15 0.42 0.78 -1.23 0.00 0.00 177.57 178.06 1zrj h ASN 9 N 0.84 1.02 -0.35 4.19 2.35 -1.99 0.13 115.58 121.78 1zrj h ASN 9 Ca 0.42 -0.10 -0.11 0.00 -0.55 0.00 0.00 56.30 55.97 1zrj h ASN 9 Cb 0.39 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 1zrj h ASN 9 CO -0.25 0.84 -0.19 -0.33 -1.65 0.00 0.00 177.43 175.84 1zrj h GLU 10 N 1.14 0.74 -0.25 0.81 4.39 -1.49 -1.22 114.58 118.71 1zrj h GLU 10 Ca 0.28 -0.34 -0.06 0.00 0.34 0.00 0.00 59.36 59.59 1zrj h GLU 10 Cb 0.06 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 1zrj h GLU 10 CO -0.04 0.95 -0.07 -0.07 -1.16 0.00 0.00 179.01 178.62 1zrj h LEU 11 N 0.52 0.49 -0.78 1.33 3.38 -0.83 -1.99 115.31 117.43 1zrj h LEU 11 Ca 0.07 -0.37 -0.03 0.00 0.09 0.00 0.00 57.88 57.64 1zrj h LEU 11 Cb 0.74 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.32 1zrj h LEU 11 CO 0.06 0.75 0.35 0.03 0.09 0.00 0.00 178.44 179.72 1zrj h ARG 12 N 0.22 1.14 -0.56 1.13 3.08 -0.76 -0.89 114.38 117.74 1zrj h ARG 12 Ca 0.06 -0.18 -0.04 0.00 0.07 0.00 0.00 59.98 59.89 1zrj h ARG 12 Cb 0.54 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 1zrj h ARG 12 CO 0.03 0.90 0.19 0.93 -1.07 0.00 0.00 179.97 180.95 1zrj h GLU 13 N 1.11 0.86 -0.31 0.04 4.39 -1.15 -1.59 114.58 117.93 1zrj h GLU 13 Ca 0.27 -0.17 -0.04 0.00 0.34 0.00 0.00 59.36 59.75 1zrj h GLU 13 Cb 0.15 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 1zrj h GLU 13 CO -0.03 0.77 0.02 0.93 -1.16 0.00 0.00 179.01 179.54 1zrj h GLU 14 N 0.78 0.53 -0.57 2.33 4.39 -1.08 -2.67 114.58 118.28 1zrj h GLU 14 Ca 0.18 -0.16 -0.00 0.00 0.34 0.00 0.00 59.36 59.73 1zrj h GLU 14 Cb 0.25 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.82 1zrj h GLU 14 CO -0.01 0.65 0.36 -0.07 -1.16 0.00 0.00 179.01 178.78 1zrj h LEU 15 N 0.33 0.67 -0.40 1.33 3.38 -1.04 -2.10 115.31 117.49 1zrj h LEU 15 Ca 0.09 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 1zrj h LEU 15 Cb 0.40 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1zrj h LEU 15 CO 0.01 0.51 0.13 1.56 0.09 0.00 0.00 178.44 180.75 1zrj h GLN 16 N 0.79 0.61 -0.72 1.13 4.20 -1.08 0.44 115.11 120.47 1zrj h GLN 16 Ca 0.21 -0.13 -0.03 0.00 0.06 0.00 0.00 58.65 58.77 1zrj h GLN 16 Cb -0.05 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 27.61 1zrj h GLN 16 CO -0.04 0.60 0.35 0.00 -0.67 0.00 0.00 178.83 179.07 1zrj h ARG 17 N 0.50 1.04 0.00 1.46 -0.00 -1.10 -2.55 114.38 113.72 1zrj h ARG 17 Ca 0.13 -0.15 -0.15 0.00 -0.50 0.00 0.00 59.98 59.31 1zrj h ARG 17 Cb 0.24 -0.19 -0.02 0.00 0.00 0.00 0.00 29.97 30.00 1zrj h ARG 17 CO -0.01 0.81 -0.70 0.00 0.00 0.00 0.00 179.97 180.08 1zrj h ARG 18 N 1.01 0.00 0.00 0.04 3.08 -1.21 -3.47 114.38 113.82 1zrj h ARG 18 Ca 0.25 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.30 1zrj h ARG 18 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.17 1zrj h ARG 18 CO -0.03 0.70 0.00 0.41 -1.07 0.00 0.00 179.97 179.98 1zrj n GLY 19 N 0.59 1.16 3.89 0.04 0.00 0.10 -5.10 105.19 105.88 1zrj n GLY 19 Ca -0.01 -0.04 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 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 4.27 0.22 0.99 1.43 0.11 -4.99 118.68 120.72 1zrj s LEU 20 Ca 0.00 0.62 -0.30 0.00 -1.03 0.00 0.00 54.13 53.42 1zrj s LEU 20 Cb 0.00 -3.28 -0.15 0.00 0.03 0.00 0.00 46.19 42.79 1zrj s LEU 20 CO 0.00 0.06 1.03 -0.67 0.23 0.00 0.00 176.35 177.01 1zrj n ASP 21 N 0.18 1.07 -1.77 2.29 -0.08 -1.26 -4.29 116.55 112.68 1zrj n ASP 21 Ca -0.03 1.16 -0.18 0.00 -1.51 0.00 0.00 54.79 54.23 1zrj n ASP 21 Cb 0.52 -1.22 0.14 0.00 2.34 0.00 0.00 41.12 42.90 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 0.80 2.92 -4.06 5.18 -2.24 -1.26 -4.94 114.28 110.69 1zrj n THR 22 Ca 0.13 -2.84 -0.24 0.00 -2.27 0.00 0.00 64.05 58.83 1zrj n THR 22 Cb 0.28 -0.65 -0.07 0.00 -2.10 0.00 0.00 70.33 67.79 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 -3.44 2.30 0.00 -0.78 1.81 -1.26 -5.01 118.95 112.56 1zrj s ARG 23 Ca 0.53 -1.72 0.00 0.00 -1.72 0.00 0.00 55.73 52.81 1zrj s ARG 23 Cb 0.45 -2.08 0.00 0.00 -0.45 0.00 0.00 34.95 32.86 1zrj s ARG 23 CO 0.03 -0.05 0.00 0.41 -0.68 0.00 0.00 175.30 175.00 1zrj n GLY 24 N -1.24 1.63 3.55 -3.53 0.00 -1.26 -4.59 105.19 99.74 1zrj n GLY 24 Ca -0.01 -1.97 -0.29 0.00 0.00 0.00 0.00 46.02 43.75 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 1.51 0.17 0.99 1.43 -1.26 -4.65 118.68 116.87 1zrj s LEU 25 Ca 0.00 1.76 -0.14 0.00 -1.03 0.00 0.00 54.13 54.71 1zrj s LEU 25 Cb 0.00 -3.82 0.12 0.00 0.03 0.00 0.00 46.19 42.52 1zrj s LEU 25 CO 0.00 -3.85 1.75 0.50 0.23 0.00 0.00 176.35 174.98 1zrj h LYS 26 N -2.38 0.33 -0.69 1.70 3.11 -1.99 -0.44 116.57 116.20 1zrj h LYS 26 Ca -0.55 -0.02 -0.06 0.00 -2.81 0.00 0.00 60.65 57.21 1zrj h LYS 26 Cb 1.31 -0.07 -0.03 0.00 -1.00 0.00 0.00 32.23 32.44 1zrj h LYS 26 CO 0.47 0.22 0.20 0.00 -2.81 0.00 0.00 179.45 177.53 1zrj h ALA 27 N 1.29 0.91 -0.68 5.00 0.00 -2.00 -2.34 119.26 121.43 1zrj h ALA 27 Ca 0.21 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1zrj h ALA 27 Cb 0.19 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1zrj h ALA 27 CO -0.20 0.60 0.39 0.93 0.00 0.00 0.00 179.25 180.96 1zrj h GLU 28 N 1.02 0.94 -0.72 0.00 4.39 -1.72 -2.48 114.58 116.00 1zrj h GLU 28 Ca 0.22 -0.10 -0.05 0.00 0.34 0.00 0.00 59.36 59.77 1zrj h GLU 28 Cb 0.33 -0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 28.76 1zrj h GLU 28 CO -0.00 0.69 0.26 -0.07 -1.16 0.00 0.00 179.01 178.73 1zrj h LEU 29 N 0.93 1.00 -0.74 1.33 3.38 -0.89 -2.45 115.31 117.87 1zrj h LEU 29 Ca 0.24 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 58.06 1zrj h LEU 29 Cb 0.01 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.47 1zrj h LEU 29 CO -0.04 0.91 0.49 0.00 0.09 0.00 0.00 178.44 179.88 1zrj h ALA 30 N 1.23 0.94 -0.60 1.53 0.00 -1.00 -1.56 119.26 119.81 1zrj h ALA 30 Ca 0.24 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 1zrj h ALA 30 Cb 0.24 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1zrj h ALA 30 CO -0.02 0.34 0.09 0.93 0.00 0.00 0.00 179.25 180.59 1zrj h GLU 31 N 0.99 0.97 -0.08 0.00 5.08 -1.16 -1.17 114.58 119.21 1zrj h GLU 31 Ca 0.28 -0.24 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1zrj h GLU 31 Cb -0.09 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.03 1zrj h GLU 31 CO -0.07 0.90 0.03 -0.09 -1.00 0.00 0.00 179.01 178.78 1zrj h ARG 32 N 0.91 0.12 -0.35 2.33 2.43 -0.96 0.19 114.38 119.05 1zrj h ARG 32 Ca 0.18 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.32 1zrj h ARG 32 Cb 0.41 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.93 1zrj h ARG 32 CO 0.01 0.25 0.16 1.25 -1.51 0.00 0.00 179.97 180.13 1zrj h LEU 33 N -0.04 0.47 -0.63 3.80 5.85 -1.19 -2.44 115.31 121.12 1zrj h LEU 33 Ca 0.03 -0.14 -0.05 0.00 0.84 0.00 0.00 57.88 58.56 1zrj h LEU 33 Cb 0.17 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 1zrj h LEU 33 CO -0.00 0.47 0.19 -0.61 -0.34 0.00 0.00 178.44 178.15 1zrj h GLN 34 N 0.43 0.99 -0.78 1.25 5.75 -1.14 -1.86 115.11 119.74 1zrj h GLN 34 Ca 0.12 -0.22 0.08 0.00 -0.15 0.00 0.00 58.65 58.48 1zrj h GLN 34 Cb 0.14 -0.14 -0.06 0.00 1.07 0.00 0.00 27.48 28.48 1zrj h GLN 34 CO -0.01 0.87 0.45 0.00 -2.65 0.00 0.00 178.83 177.49 1zrj h ALA 35 N 1.07 1.08 -0.34 3.38 0.00 -0.41 -0.32 119.26 123.71 1zrj h ALA 35 Ca 0.20 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 55.00 1zrj h ALA 35 Cb 0.30 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1zrj h ALA 35 CO -0.00 0.12 -0.32 0.00 0.00 0.00 0.00 179.25 179.04 1zrj h ALA 36 N 1.41 0.50 -0.63 0.00 0.00 -1.20 -3.09 119.26 116.25 1zrj h ALA 36 Ca 0.36 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1zrj h ALA 36 Cb 0.27 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1zrj h ALA 36 CO -0.21 0.55 0.34 -0.07 0.00 0.00 0.00 179.25 179.85 1zrj h LEU 37 N 0.61 0.78 -0.60 0.00 3.38 -0.69 -2.07 115.31 116.71 1zrj h LEU 37 Ca 0.06 -0.06 0.10 0.00 0.09 0.00 0.00 57.88 58.06 1zrj h LEU 37 Cb 0.90 -0.20 -0.08 0.00 0.09 0.00 0.00 40.66 41.37 1zrj h LEU 37 CO 0.08 0.64 0.20 -1.28 0.09 0.00 0.00 178.44 178.17 1zrj h SER 38 N 0.88 0.16 -2.11 -0.43 0.87 -0.99 -3.35 113.55 108.58 1zrj h SER 38 Ca 0.22 0.09 -0.49 0.00 -1.23 0.00 0.00 61.79 60.38 1zrj h SER 38 Cb 0.04 0.08 -0.34 0.00 -0.44 0.00 0.00 62.40 61.74 1zrj h SER 38 CO -0.04 0.10 -0.85 -0.83 -0.53 0.00 0.00 176.83 174.68 1zrj s GLY 39 N -3.16 0.61 0.16 5.77 0.00 -0.99 -4.94 107.32 104.78 1zrj s GLY 39 Ca -0.13 -1.88 -0.08 0.00 0.00 0.00 0.00 44.72 42.63 1zrj s GLY 39 CO 0.74 2.45 1.50 -0.56 0.00 0.00 0.00 173.10 177.24 1zrj h PRO 40 N 5.84 0.84 -6.24 2.90 0.13 -1.53 -3.45 132.00 130.49 1zrj h PRO 40 Ca 0.19 -0.44 -0.69 0.00 -0.87 0.00 0.00 66.00 64.19 1zrj h PRO 40 Cb 0.97 0.02 0.03 0.00 0.13 0.00 0.00 31.00 32.15 1zrj h PRO 40 CO 0.28 1.08 0.75 0.43 -0.23 0.00 0.00 178.00 180.31 1zrj n SER 41 N -4.04 2.28 -4.81 1.44 7.64 -1.26 -4.92 113.62 109.95 1zrj n SER 41 Ca -0.02 1.08 -0.34 0.00 1.01 0.00 0.00 58.87 60.60 1zrj n SER 41 Cb 0.54 -1.21 -0.06 0.00 -1.01 0.00 0.00 64.21 62.48 1zrj n SER 41 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1zrj s SER 42 N 2.24 6.77 0.00 6.43 1.04 -1.26 -5.22 113.70 123.69 1zrj s SER 42 Ca 0.91 1.78 0.00 0.00 0.48 0.00 0.00 55.95 59.12 1zrj s SER 42 Cb -0.95 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 62.62 1zrj s SER 42 CO 0.55 -0.48 0.00 0.61 0.98 0.00 0.00 173.24 174.90