#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 3.04 -3.98 1.61 7.64 -1.26 -4.93 113.62 115.74 1zrj n SER -5 Ca 0.00 0.34 -0.08 0.00 1.01 0.00 0.00 58.87 60.14 1zrj n SER -5 Cb 0.00 -1.47 -0.09 0.00 -1.01 0.00 0.00 64.21 61.64 1zrj n SER -5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1zrj s SER -4 N 7.58 0.31 0.07 6.43 1.04 -1.26 -5.18 113.70 122.69 1zrj s SER -4 Ca 1.02 -0.80 0.01 0.00 0.48 0.00 0.00 55.95 56.66 1zrj s SER -4 Cb -0.50 0.25 -0.00 0.00 0.10 0.00 0.00 66.02 65.87 1zrj s SER -4 CO 0.40 -0.63 0.03 0.61 0.98 0.00 0.00 173.24 174.64 1zrj n GLY -3 N 0.17 3.91 3.57 7.32 0.00 -1.26 -5.18 105.19 113.72 1zrj n GLY -3 Ca -0.15 -1.89 -0.13 0.00 0.00 0.00 0.00 46.02 43.85 1zrj n GLY -3 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1zrj s SER -2 N -1.46 -0.49 -0.21 1.61 0.01 -1.26 -5.07 113.70 106.83 1zrj s SER -2 Ca 0.05 0.63 -0.15 0.00 1.31 0.00 0.00 55.95 57.79 1zrj s SER -2 Cb 0.00 0.53 -0.19 0.00 0.21 0.00 0.00 66.02 66.57 1zrj s SER -2 CO 0.03 -0.39 0.08 -1.54 0.41 0.00 0.00 173.24 171.83 1zrj n SER -1 N 1.11 1.95 0.00 2.44 3.41 -1.26 -5.11 113.62 116.16 1zrj n SER -1 Ca -0.13 0.31 0.00 0.00 -0.26 0.00 0.00 58.87 58.79 1zrj n SER -1 Cb 0.57 -0.87 0.00 0.00 -0.26 0.00 0.00 64.21 63.66 1zrj n SER -1 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1zrj n GLY 0 N 1.57 -1.12 3.64 5.00 0.00 -1.26 -4.90 105.19 108.13 1zrj n GLY 0 Ca -0.39 -1.59 -0.41 0.00 0.00 0.00 0.00 46.02 43.63 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 -2.90 4.16 -1.27 1.61 0.00 -1.26 -4.98 119.30 114.65 1zrj s MET 1 Ca 0.00 0.67 -0.19 0.00 0.00 0.00 0.00 55.69 56.17 1zrj s MET 1 Cb 0.00 -3.63 0.03 0.00 0.00 0.00 0.00 34.83 31.23 1zrj s MET 1 CO 0.00 -0.39 1.79 -0.25 0.00 0.00 0.00 175.02 176.17 1zrj n ASP 2 N 5.59 4.47 0.26 1.11 8.00 -1.26 -4.74 116.55 129.97 1zrj n ASP 2 Ca 0.01 -2.86 0.11 0.00 0.71 0.00 0.00 54.79 52.75 1zrj n ASP 2 Cb 0.49 -1.75 0.71 0.00 -0.02 0.00 0.00 41.12 40.55 1zrj n ASP 2 CO 0.00 0.00 0.00 1.62 -0.39 0.00 0.00 177.20 178.43 1zrj h VAL 3 N 5.69 0.75 0.00 2.53 3.04 -1.95 -1.36 116.25 124.95 1zrj h VAL 3 Ca 0.39 -0.39 -0.06 0.00 -1.01 0.00 0.00 66.70 65.63 1zrj h VAL 3 Cb 0.88 1.23 -0.01 0.00 -2.01 0.00 0.00 31.29 31.39 1zrj h VAL 3 CO 1.41 0.10 -0.31 0.03 -1.01 0.00 0.00 177.57 177.79 1zrj h ARG 4 N 0.00 0.00 0.00 4.17 3.08 -1.95 -2.93 114.38 116.75 1zrj h ARG 4 Ca -0.00 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.82 1zrj h ARG 4 Cb 0.22 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.24 1zrj h ARG 4 CO 0.01 0.31 -1.20 -0.09 -1.07 0.00 0.00 179.97 177.93 1zrj h ARG 5 N 0.00 0.00 -6.71 0.04 2.43 -1.65 -3.46 114.38 105.03 1zrj h ARG 5 Ca -0.00 0.00 -0.56 0.00 -0.81 0.00 0.00 59.98 58.61 1zrj h ARG 5 Cb 0.77 0.00 0.09 0.00 -0.42 0.00 0.00 29.97 30.41 1zrj h ARG 5 CO 0.04 0.78 0.69 1.28 -1.51 0.00 0.00 179.97 181.25 1zrj n LEU 6 N -3.23 3.73 -4.69 3.80 4.77 -1.05 -4.96 117.00 115.36 1zrj n LEU 6 Ca -0.05 1.16 -0.30 0.00 -0.03 0.00 0.00 56.01 56.79 1zrj n LEU 6 Cb 0.96 -1.51 0.15 0.00 -2.33 0.00 0.00 43.42 40.68 1zrj n LEU 6 CO 0.46 -0.23 0.66 -0.54 -1.33 0.00 0.00 177.39 176.41 1zrj s LYS 7 N -0.85 1.18 0.40 3.23 1.02 -1.26 -4.72 119.74 118.74 1zrj s LYS 7 Ca 0.63 1.04 0.13 0.00 0.02 0.00 0.00 55.97 57.79 1zrj s LYS 7 Cb -0.57 -1.78 0.96 0.00 -0.52 0.00 0.00 37.83 35.91 1zrj s LYS 7 CO 0.53 -2.36 1.93 -0.39 -0.92 0.00 0.00 175.35 174.14 1zrj h VAL 8 N -1.64 0.86 -0.40 3.17 -1.51 -1.97 -0.90 116.25 113.85 1zrj h VAL 8 Ca -0.48 -0.18 -0.09 0.00 -1.23 0.00 0.00 66.70 64.72 1zrj h VAL 8 Cb 1.27 0.29 -0.01 0.00 -2.13 0.00 0.00 31.29 30.71 1zrj h VAL 8 CO 0.51 0.09 -0.09 0.78 -1.23 0.00 0.00 177.57 177.63 1zrj h ASN 9 N 0.52 0.77 -0.40 4.19 2.35 -1.99 -1.88 115.58 119.14 1zrj h ASN 9 Ca 0.36 -0.36 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 1zrj h ASN 9 Cb 0.68 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.82 1zrj h ASN 9 CO -0.12 0.95 0.06 -0.33 -1.65 0.00 0.00 177.43 176.34 1zrj h GLU 10 N 0.58 0.66 -0.89 0.81 4.39 -1.56 -1.92 114.58 116.65 1zrj h GLU 10 Ca 0.10 -0.18 -0.02 0.00 0.34 0.00 0.00 59.36 59.60 1zrj h GLU 10 Cb 0.61 -0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 29.14 1zrj h GLU 10 CO 0.04 0.71 0.48 -0.07 -1.16 0.00 0.00 179.01 179.01 1zrj h LEU 11 N 0.51 1.12 -0.76 1.33 3.38 -1.17 -1.46 115.31 118.27 1zrj h LEU 11 Ca 0.12 -0.10 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 1zrj h LEU 11 Cb 0.37 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1zrj h LEU 11 CO 0.01 0.91 -0.01 0.03 0.09 0.00 0.00 178.44 179.46 1zrj h ARG 12 N 1.26 0.93 -0.37 1.13 3.08 -1.17 -2.04 114.38 117.21 1zrj h ARG 12 Ca 0.31 -0.28 -0.06 0.00 0.07 0.00 0.00 59.98 60.02 1zrj h ARG 12 Cb 0.04 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 1zrj h ARG 12 CO -0.05 0.93 -0.01 0.93 -1.07 0.00 0.00 179.97 180.70 1zrj h GLU 13 N 0.86 0.65 -0.32 0.04 5.08 -0.88 -1.59 114.58 118.41 1zrj h GLU 13 Ca 0.16 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1zrj h GLU 13 Cb 0.52 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 1zrj h GLU 13 CO 0.03 0.76 0.18 0.93 -1.00 0.00 0.00 179.01 179.91 1zrj h GLU 14 N 0.46 0.45 -0.45 2.33 5.08 -1.15 -1.50 114.58 119.80 1zrj h GLU 14 Ca 0.10 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.37 1zrj h GLU 14 Cb 0.47 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 1zrj h GLU 14 CO 0.02 0.37 0.12 -0.07 -1.00 0.00 0.00 179.01 178.45 1zrj h LEU 15 N 0.40 0.61 -0.61 1.33 3.38 -1.32 -2.42 115.31 116.69 1zrj h LEU 15 Ca 0.11 -0.09 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 1zrj h LEU 15 Cb 0.05 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1zrj h LEU 15 CO -0.02 0.61 -0.08 -0.61 0.09 0.00 0.00 178.44 178.42 1zrj h GLN 16 N 0.65 1.01 0.00 1.13 4.15 -0.86 0.88 115.11 122.06 1zrj h GLN 16 Ca 0.15 -0.36 -0.05 0.00 0.77 0.00 0.00 58.65 59.16 1zrj h GLN 16 Cb 0.23 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.84 1zrj h GLN 16 CO -0.00 1.04 -0.24 -0.09 -1.93 0.00 0.00 178.83 177.60 1zrj h ARG 17 N 0.90 0.00 -0.64 1.69 2.43 -0.86 -2.10 114.38 115.80 1zrj h ARG 17 Ca 0.15 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1zrj h ARG 17 Cb 0.64 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 1zrj h ARG 17 CO 0.04 0.24 0.00 0.54 -1.51 0.00 0.00 179.97 179.29 1zrj n ARG 18 N -3.76 4.06 -1.07 0.20 1.74 -0.95 -4.89 116.66 112.00 1zrj n ARG 18 Ca -0.01 -2.67 -0.02 0.00 -0.77 0.00 0.00 57.85 54.37 1zrj n ARG 18 Cb 0.35 -2.05 -0.01 0.00 -1.02 0.00 0.00 32.46 29.73 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 0.73 0.27 3.83 -0.13 0.00 -0.79 -4.95 105.19 104.15 1zrj n GLY 19 Ca 0.24 -0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.54 4.23 0.64 0.99 1.43 0.30 -4.97 118.68 120.77 1zrj s LEU 20 Ca 0.00 1.37 -0.18 0.00 -1.03 0.00 0.00 54.13 54.30 1zrj s LEU 20 Cb 0.00 -3.79 -0.02 0.00 0.03 0.00 0.00 46.19 42.41 1zrj s LEU 20 CO 0.00 -0.06 1.09 -0.67 0.23 0.00 0.00 176.35 176.94 1zrj n ASP 21 N 0.30 1.21 -0.72 2.29 -0.08 -1.26 -3.65 116.55 114.64 1zrj n ASP 21 Ca 0.00 0.79 0.03 0.00 -1.51 0.00 0.00 54.79 54.10 1zrj n ASP 21 Cb 0.52 -1.46 0.20 0.00 2.34 0.00 0.00 41.12 42.72 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 -1.96 2.28 -3.35 5.18 -2.24 -1.26 -4.77 114.28 108.16 1zrj n THR 22 Ca 0.15 -2.98 -0.20 0.00 -2.27 0.00 0.00 64.05 58.74 1zrj n THR 22 Cb 0.48 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 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 -3.20 2.54 0.00 -0.78 0.52 -1.26 -4.98 118.95 111.79 1zrj s ARG 23 Ca 0.39 -1.53 0.00 0.00 -0.52 0.00 0.00 55.73 54.07 1zrj s ARG 23 Cb 0.37 -2.50 0.00 0.00 0.52 0.00 0.00 34.95 33.34 1zrj s ARG 23 CO -0.04 -0.39 0.00 0.41 0.02 0.00 0.00 175.30 175.30 1zrj n GLY 24 N -1.79 0.04 3.51 -3.53 0.00 -1.26 -4.59 105.19 97.57 1zrj n GLY 24 Ca 0.06 -1.73 -0.29 0.00 0.00 0.00 0.00 46.02 44.06 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 -0.95 -0.16 -0.22 0.99 4.77 -1.26 -4.67 117.00 115.51 1zrj n LEU 25 Ca 0.00 0.01 0.02 0.00 -0.03 0.00 0.00 56.01 56.01 1zrj n LEU 25 Cb 0.00 -1.30 0.13 0.00 -2.33 0.00 0.00 43.42 39.92 1zrj n LEU 25 CO 0.00 -2.99 0.93 0.50 -1.33 0.00 0.00 177.39 174.51 1zrj h LYS 26 N -2.41 0.28 -0.85 3.23 3.64 -1.99 0.62 116.57 119.09 1zrj h LYS 26 Ca -0.56 -0.02 0.08 0.00 -1.27 0.00 0.00 60.65 58.89 1zrj h LYS 26 Cb 1.32 -0.06 -0.06 0.00 -0.41 0.00 0.00 32.23 33.02 1zrj h LYS 26 CO 0.46 0.18 0.55 0.00 -2.27 0.00 0.00 179.45 178.37 1zrj h ALA 27 N 1.51 1.63 -0.42 5.00 0.00 -2.00 -0.92 119.26 124.06 1zrj h ALA 27 Ca 0.35 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.17 1zrj h ALA 27 Cb 0.53 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1zrj h ALA 27 CO -0.42 0.23 -0.04 0.93 0.00 0.00 0.00 179.25 179.94 1zrj h GLU 28 N 0.88 0.70 -0.22 0.00 4.39 -1.20 -1.98 114.58 117.15 1zrj h GLU 28 Ca 0.38 -0.19 -0.08 0.00 0.34 0.00 0.00 59.36 59.81 1zrj h GLU 28 Cb 0.31 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 28.88 1zrj h GLU 28 CO -0.15 0.74 -0.16 -0.07 -1.16 0.00 0.00 179.01 178.22 1zrj h LEU 29 N 0.65 0.52 -0.28 1.33 3.38 -0.60 -1.42 115.31 118.90 1zrj h LEU 29 Ca 0.12 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.65 1zrj h LEU 29 Cb 0.47 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1zrj h LEU 29 CO 0.02 0.85 0.18 0.00 0.09 0.00 0.00 178.44 179.58 1zrj h ALA 30 N 0.69 0.35 -0.71 1.53 0.00 -1.18 -1.18 119.26 118.76 1zrj h ALA 30 Ca 0.04 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1zrj h ALA 30 Cb 0.68 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 1zrj h ALA 30 CO 0.04 -0.17 0.22 0.93 0.00 0.00 0.00 179.25 180.27 1zrj h GLU 31 N 0.36 1.10 0.41 0.00 5.08 -1.37 -0.64 114.58 119.53 1zrj h GLU 31 Ca 0.10 -0.24 -0.02 0.00 -1.00 0.00 0.00 59.36 58.20 1zrj h GLU 31 Cb -0.02 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.07 1zrj h GLU 31 CO -0.02 0.95 -0.20 -0.09 -1.00 0.00 0.00 179.01 178.65 1zrj h ARG 32 N 1.05 -0.53 -0.56 2.33 2.43 -0.95 0.39 114.38 118.54 1zrj h ARG 32 Ca 0.23 0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.43 1zrj h ARG 32 Cb 0.31 0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.95 1zrj h ARG 32 CO -0.01 -0.35 0.34 1.25 -1.51 0.00 0.00 179.97 179.69 1zrj h LEU 33 N -0.56 0.67 -0.82 3.80 5.85 -1.16 -2.55 115.31 120.54 1zrj h LEU 33 Ca -0.06 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.62 1zrj h LEU 33 Cb 0.43 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 1zrj h LEU 33 CO 0.09 0.53 0.54 -0.61 -0.34 0.00 0.00 178.44 178.65 1zrj h GLN 34 N 0.75 1.04 -0.98 1.25 4.15 -0.97 -0.23 115.11 120.13 1zrj h GLN 34 Ca 0.20 -0.06 0.03 0.00 0.77 0.00 0.00 58.65 59.59 1zrj h GLN 34 Cb -0.01 -0.24 -0.06 0.00 0.21 0.00 0.00 27.48 27.38 1zrj h GLN 34 CO -0.04 0.69 0.64 0.00 -1.93 0.00 0.00 178.83 178.20 1zrj h ALA 35 N 1.32 1.30 -0.19 3.38 0.00 -0.53 0.84 119.26 125.37 1zrj h ALA 35 Ca 0.31 -0.05 -0.19 0.00 0.00 0.00 0.00 54.91 54.98 1zrj h ALA 35 Cb -0.08 -0.35 0.01 0.00 0.00 0.00 0.00 17.79 17.37 1zrj h ALA 35 CO -0.08 0.54 -0.64 0.00 0.00 0.00 0.00 179.25 179.07 1zrj h ALA 36 N 1.40 0.33 -0.43 0.00 0.00 -1.03 -3.25 119.26 116.27 1zrj h ALA 36 Ca 0.39 -0.55 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1zrj h ALA 36 Cb -0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1zrj h ALA 36 CO -0.12 0.61 0.15 -0.07 0.00 0.00 0.00 179.25 179.81 1zrj h LEU 37 N 0.49 0.62 -8.92 0.00 3.38 -0.62 -3.43 115.31 106.83 1zrj h LEU 37 Ca -0.03 -0.19 -0.70 0.00 0.09 0.00 0.00 57.88 57.04 1zrj h LEU 37 Cb 1.26 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1zrj h LEU 37 CO 0.14 0.65 1.11 -0.24 0.09 0.00 0.00 178.44 180.19 1zrj n SER 38 N -4.58 2.38 -4.44 -0.43 2.88 0.25 -4.88 113.62 104.79 1zrj n SER 38 Ca 0.00 0.84 -0.32 0.00 -1.33 0.00 0.00 58.87 58.06 1zrj n SER 38 Cb 0.17 -1.20 0.14 0.00 -0.75 0.00 0.00 64.21 62.57 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 5.12 -1.82 3.56 0.46 0.00 -1.26 -4.81 105.19 106.43 1zrj n GLY 39 Ca 0.32 -0.76 -0.31 0.00 0.00 0.00 0.00 46.02 45.27 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 -3.78 2.57 0.69 1.61 0.04 -1.26 -4.96 135.00 129.91 1zrj s PRO 40 Ca 0.58 0.04 -0.17 0.00 0.04 0.00 0.00 61.00 61.50 1zrj s PRO 40 Cb -0.21 -4.82 -0.04 0.00 0.04 0.00 0.00 34.50 29.48 1zrj s PRO 40 CO 0.66 -3.15 0.68 -1.13 0.04 0.00 0.00 177.00 174.10 1zrj n SER 41 N 13.57 -0.55 -0.11 6.66 3.41 -1.26 -4.96 113.62 130.38 1zrj n SER 41 Ca 0.33 0.65 -0.22 0.00 -0.26 0.00 0.00 58.87 59.38 1zrj n SER 41 Cb 0.49 -1.28 -0.10 0.00 -0.26 0.00 0.00 64.21 63.06 1zrj n SER 41 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1zrj n SER 42 N -0.57 1.87 0.00 4.04 3.41 -1.26 -5.31 113.62 115.80 1zrj n SER 42 Ca 0.11 0.43 0.00 0.00 -0.26 0.00 0.00 58.87 59.15 1zrj n SER 42 Cb 0.49 -0.93 0.00 0.00 -0.26 0.00 0.00 64.21 63.51 1zrj n SER 42 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49