#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 3.61 0.13 1.61 0.01 -1.26 -4.95 113.70 112.86 1zrj s SER -5 Ca 0.00 0.29 -0.25 0.00 1.31 0.00 0.00 55.95 57.29 1zrj s SER -5 Cb 0.00 -0.49 -0.05 0.00 0.21 0.00 0.00 66.02 65.69 1zrj s SER -5 CO 0.00 -2.41 1.26 -1.20 0.41 0.00 0.00 173.24 171.30 1zrj n SER -4 N -3.52 -0.86 -0.65 2.44 7.64 -1.26 -4.68 113.62 112.73 1zrj n SER -4 Ca 0.13 1.46 0.00 0.00 1.01 0.00 0.00 58.87 61.47 1zrj n SER -4 Cb 0.60 -0.19 0.00 0.00 -1.01 0.00 0.00 64.21 63.61 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 -1.21 6.64 2.82 0.23 0.00 -1.26 -5.14 105.19 107.27 1zrj n GLY -3 Ca 0.02 -2.09 -0.27 0.00 0.00 0.00 0.00 46.02 43.68 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 0.34 2.52 -0.21 1.61 0.15 -1.26 -5.06 113.70 111.79 1zrj s SER -2 Ca 0.00 -0.55 -0.33 0.00 0.70 0.00 0.00 55.95 55.78 1zrj s SER -2 Cb 0.00 -0.71 0.15 0.00 -1.71 0.00 0.00 66.02 63.75 1zrj s SER -2 CO 0.00 -0.22 1.21 -0.55 1.20 0.00 0.00 173.24 174.88 1zrj s SER -1 N 1.78 -0.15 0.00 5.45 0.15 -1.26 -5.19 113.70 114.48 1zrj s SER -1 Ca 0.01 0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.75 1zrj s SER -1 Cb -0.15 0.15 0.00 0.00 -1.71 0.00 0.00 66.02 64.31 1zrj s SER -1 CO -0.07 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 174.77 1zrj n GLY 0 N 0.21 3.22 3.84 9.45 0.00 -1.26 -5.11 105.19 115.53 1zrj n GLY 0 Ca -0.02 -1.63 -0.35 0.00 0.00 0.00 0.00 46.02 44.02 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 -2.10 4.04 -1.10 1.61 0.00 -1.26 -5.02 119.30 115.47 1zrj s MET 1 Ca 0.00 0.58 -0.08 0.00 0.00 0.00 0.00 55.69 56.20 1zrj s MET 1 Cb 0.00 -2.91 0.28 0.00 0.00 0.00 0.00 34.83 32.20 1zrj s MET 1 CO 0.00 0.45 1.14 -0.25 0.00 0.00 0.00 175.02 176.37 1zrj n ASP 2 N 0.77 5.56 -0.29 1.11 8.00 -1.26 -4.88 116.55 125.56 1zrj n ASP 2 Ca -0.04 -3.09 0.10 0.00 0.71 0.00 0.00 54.79 52.46 1zrj n ASP 2 Cb 0.52 -1.34 0.25 0.00 -0.02 0.00 0.00 41.12 40.52 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 3.63 0.54 0.00 2.53 3.04 -1.95 0.64 116.25 124.68 1zrj h VAL 3 Ca 0.18 -0.14 -0.01 0.00 -1.01 0.00 0.00 66.70 65.72 1zrj h VAL 3 Cb 0.83 0.10 -0.00 0.00 -2.01 0.00 0.00 31.29 30.21 1zrj h VAL 3 CO 1.05 0.07 -0.06 0.03 -1.01 0.00 0.00 177.57 177.66 1zrj h ARG 4 N 0.41 0.00 0.00 4.17 3.08 -1.92 -2.17 114.38 117.95 1zrj h ARG 4 Ca 0.50 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 60.27 1zrj h ARG 4 Cb 0.87 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.87 1zrj h ARG 4 CO -0.49 0.06 -1.62 -0.09 -1.07 0.00 0.00 179.97 176.76 1zrj h ARG 5 N 0.00 0.00 -6.25 0.04 9.65 -0.44 -3.46 114.38 113.93 1zrj h ARG 5 Ca -0.00 0.00 -0.56 0.00 -1.10 0.00 0.00 59.98 58.32 1zrj h ARG 5 Cb 0.10 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 28.70 1zrj h ARG 5 CO 0.01 0.53 1.28 1.28 2.80 0.00 0.00 179.97 185.87 1zrj n LEU 6 N -3.07 3.80 -4.45 3.80 4.77 0.17 -4.94 117.00 117.07 1zrj n LEU 6 Ca -0.15 0.73 -0.29 0.00 -0.03 0.00 0.00 56.01 56.27 1zrj n LEU 6 Cb 1.03 -1.50 0.23 0.00 -2.33 0.00 0.00 43.42 40.85 1zrj n LEU 6 CO 0.45 -0.07 0.32 0.29 -1.33 0.00 0.00 177.39 177.05 1zrj n LYS 7 N 7.73 -2.09 -0.29 3.23 4.76 -1.26 -4.59 118.16 125.64 1zrj n LYS 7 Ca 0.23 -0.58 0.08 0.00 -2.87 0.00 0.00 58.31 55.18 1zrj n LYS 7 Cb 0.40 -2.10 0.31 0.00 -1.84 0.00 0.00 35.03 31.80 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 -2.49 0.93 -0.57 -0.18 -1.51 -1.92 -1.18 116.25 109.33 1zrj h VAL 8 Ca -0.58 -0.29 -0.03 0.00 -1.23 0.00 0.00 66.70 64.56 1zrj h VAL 8 Cb 1.33 -0.00 -0.03 0.00 -2.13 0.00 0.00 31.29 30.46 1zrj h VAL 8 CO 0.46 0.16 0.23 0.78 -1.23 0.00 0.00 177.57 177.97 1zrj h ASN 9 N 0.86 0.78 -0.46 4.19 2.35 -1.99 0.11 115.58 121.41 1zrj h ASN 9 Ca 0.44 -0.17 -0.04 0.00 -0.55 0.00 0.00 56.30 55.98 1zrj h ASN 9 Cb 0.50 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.65 1zrj h ASN 9 CO -0.20 0.74 0.13 -0.33 -1.65 0.00 0.00 177.43 176.11 1zrj h GLU 10 N 0.78 0.74 -0.53 0.81 4.39 -1.57 -2.33 114.58 116.87 1zrj h GLU 10 Ca 0.19 -0.17 -0.12 0.00 0.34 0.00 0.00 59.36 59.60 1zrj h GLU 10 Cb 0.19 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.73 1zrj h GLU 10 CO -0.02 0.72 -0.15 -0.07 -1.16 0.00 0.00 179.01 178.34 1zrj h LEU 11 N 0.62 1.04 -0.67 1.33 3.38 -1.10 -2.73 115.31 117.19 1zrj h LEU 11 Ca 0.15 -0.37 0.04 0.00 0.09 0.00 0.00 57.88 57.79 1zrj h LEU 11 Cb 0.30 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.72 1zrj h LEU 11 CO -0.00 1.17 0.40 -0.09 0.09 0.00 0.00 178.44 180.01 1zrj h ARG 12 N 0.90 0.76 -0.37 1.13 2.43 -0.63 0.21 114.38 118.81 1zrj h ARG 12 Ca 0.13 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.24 1zrj h ARG 12 Cb 0.72 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.08 1zrj h ARG 12 CO 0.06 0.50 0.17 0.93 -1.51 0.00 0.00 179.97 180.12 1zrj h GLU 13 N 0.78 0.54 -0.27 0.20 5.08 -1.32 0.17 114.58 119.77 1zrj h GLU 13 Ca 0.28 -0.09 -0.04 0.00 -1.00 0.00 0.00 59.36 58.51 1zrj h GLU 13 Cb 0.07 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 1zrj h GLU 13 CO -0.13 0.49 0.03 0.93 -1.00 0.00 0.00 179.01 179.34 1zrj h GLU 14 N 0.46 0.46 -0.57 2.33 4.39 -1.14 -1.81 114.58 118.70 1zrj h GLU 14 Ca 0.13 -0.13 -0.06 0.00 0.34 0.00 0.00 59.36 59.63 1zrj h GLU 14 Cb 0.14 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.71 1zrj h GLU 14 CO -0.01 0.60 0.10 -0.07 -1.16 0.00 0.00 179.01 178.47 1zrj h LEU 15 N 0.27 0.86 -0.53 1.33 3.38 -0.47 -2.55 115.31 117.59 1zrj h LEU 15 Ca 0.08 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 1zrj h LEU 15 Cb 0.37 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1zrj h LEU 15 CO 0.01 0.86 0.13 1.56 0.09 0.00 0.00 178.44 181.09 1zrj h GLN 16 N 0.86 0.85 -0.48 1.13 4.20 -0.51 0.28 115.11 121.44 1zrj h GLN 16 Ca 0.18 -0.20 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1zrj h GLN 16 Cb 0.36 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.01 1zrj h GLN 16 CO 0.01 0.80 0.31 -0.09 -0.67 0.00 0.00 178.83 179.19 1zrj h ARG 17 N 0.75 0.64 0.00 1.46 2.43 -1.09 -2.23 114.38 116.33 1zrj h ARG 17 Ca 0.17 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.20 1zrj h ARG 17 Cb 0.33 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 1zrj h ARG 17 CO 0.00 0.43 -0.44 0.00 -1.51 0.00 0.00 179.97 178.45 1zrj h ARG 18 N 0.65 0.00 0.00 0.20 3.08 -1.31 -3.47 114.38 113.53 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 -0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.99 1zrj h ARG 18 CO -0.04 0.44 0.00 0.41 -1.07 0.00 0.00 179.97 179.71 1zrj n GLY 19 N 0.41 1.12 3.88 0.04 0.00 0.31 -5.09 105.19 105.86 1zrj n GLY 19 Ca -0.00 -0.23 -0.33 0.00 0.00 0.00 0.00 46.02 45.45 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 4.29 0.18 0.99 1.43 0.74 -4.99 118.68 121.31 1zrj s LEU 20 Ca 0.00 0.75 -0.32 0.00 -1.03 0.00 0.00 54.13 53.53 1zrj s LEU 20 Cb 0.00 -3.23 -0.16 0.00 0.03 0.00 0.00 46.19 42.83 1zrj s LEU 20 CO 0.00 0.08 0.94 -0.67 0.23 0.00 0.00 176.35 176.94 1zrj n ASP 21 N 0.43 0.43 -1.37 2.29 -0.08 -1.26 -4.34 116.55 112.66 1zrj n ASP 21 Ca -0.04 1.15 -0.09 0.00 -1.51 0.00 0.00 54.79 54.29 1zrj n ASP 21 Cb 0.52 -1.11 0.17 0.00 2.34 0.00 0.00 41.12 43.04 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 0.85 2.64 -4.12 5.18 -2.24 -1.26 -4.94 114.28 110.39 1zrj n THR 22 Ca 0.16 -2.96 -0.22 0.00 -2.27 0.00 0.00 64.05 58.76 1zrj n THR 22 Cb 0.24 -0.48 -0.05 0.00 -2.10 0.00 0.00 70.33 67.93 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 -3.34 2.62 0.00 -0.78 0.52 -1.26 -5.02 118.95 111.68 1zrj s ARG 23 Ca 0.47 -1.28 0.00 0.00 -0.52 0.00 0.00 55.73 54.40 1zrj s ARG 23 Cb 0.42 -2.37 0.00 0.00 0.52 0.00 0.00 34.95 33.52 1zrj s ARG 23 CO -0.00 0.29 0.00 0.41 0.02 0.00 0.00 175.30 176.02 1zrj n GLY 24 N -1.12 1.85 3.56 -3.53 0.00 -1.26 -4.62 105.19 100.06 1zrj n GLY 24 Ca -0.06 -2.02 -0.29 0.00 0.00 0.00 0.00 46.02 43.66 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 1.21 0.15 0.99 1.43 -1.26 -4.66 118.68 116.54 1zrj s LEU 25 Ca 0.00 1.48 -0.22 0.00 -1.03 0.00 0.00 54.13 54.36 1zrj s LEU 25 Cb 0.00 -3.51 0.03 0.00 0.03 0.00 0.00 46.19 42.74 1zrj s LEU 25 CO 0.00 -3.81 1.63 0.50 0.23 0.00 0.00 176.35 174.90 1zrj h LYS 26 N -2.36 -0.24 -0.79 1.70 3.64 -1.99 -0.94 116.57 115.59 1zrj h LYS 26 Ca -0.58 0.02 0.11 0.00 -1.27 0.00 0.00 60.65 58.92 1zrj h LYS 26 Cb 1.33 0.05 -0.08 0.00 -0.41 0.00 0.00 32.23 33.12 1zrj h LYS 26 CO 0.52 -0.16 0.42 0.00 -2.27 0.00 0.00 179.45 177.96 1zrj h ALA 27 N 0.80 1.14 -0.64 5.00 0.00 -1.98 -1.04 119.26 122.54 1zrj h ALA 27 Ca 0.14 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.13 1zrj h ALA 27 Cb 0.47 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 1zrj h ALA 27 CO -0.40 0.00 0.41 0.93 0.00 0.00 0.00 179.25 180.19 1zrj h GLU 28 N 0.68 0.79 -0.70 0.00 5.08 -1.55 -1.60 114.58 117.28 1zrj h GLU 28 Ca 0.40 -0.05 -0.06 0.00 -1.00 0.00 0.00 59.36 58.65 1zrj h GLU 28 Cb 0.44 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 1zrj h GLU 28 CO -0.29 0.52 0.21 -0.07 -1.00 0.00 0.00 179.01 178.39 1zrj h LEU 29 N 0.81 1.03 -0.27 1.33 3.38 -0.17 -1.92 115.31 119.50 1zrj h LEU 29 Ca 0.25 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1zrj h LEU 29 Cb -0.02 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 1zrj h LEU 29 CO -0.09 0.97 0.17 0.00 0.09 0.00 0.00 178.44 179.58 1zrj h ALA 30 N 1.10 0.34 -0.77 1.53 0.00 -0.72 -1.91 119.26 118.83 1zrj h ALA 30 Ca 0.23 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1zrj h ALA 30 Cb 0.31 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 1zrj h ALA 30 CO -0.01 -0.16 0.39 0.93 0.00 0.00 0.00 179.25 180.40 1zrj h GLU 31 N 0.35 1.10 0.21 0.00 4.39 -1.16 -0.60 114.58 118.88 1zrj h GLU 31 Ca 0.10 -0.15 -0.00 0.00 0.34 0.00 0.00 59.36 59.65 1zrj h GLU 31 Cb -0.00 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.43 1zrj h GLU 31 CO -0.02 0.84 -0.17 -0.09 -1.16 0.00 0.00 179.01 178.41 1zrj h ARG 32 N 1.08 -0.39 -0.37 2.33 2.43 -1.05 0.30 114.38 118.71 1zrj h ARG 32 Ca 0.27 0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.46 1zrj h ARG 32 Cb 0.09 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 1zrj h ARG 32 CO -0.04 -0.26 0.21 1.25 -1.51 0.00 0.00 179.97 179.62 1zrj h LEU 33 N -0.40 0.46 -0.81 3.80 5.85 -1.22 -2.24 115.31 120.75 1zrj h LEU 33 Ca -0.01 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 1zrj h LEU 33 Cb 0.36 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 1zrj h LEU 33 CO -0.02 0.42 0.50 -0.61 -0.34 0.00 0.00 178.44 178.39 1zrj h GLN 34 N 0.48 1.09 -0.92 1.25 5.75 -0.91 0.06 115.11 121.91 1zrj h GLN 34 Ca 0.13 -0.09 0.02 0.00 -0.15 0.00 0.00 58.65 58.55 1zrj h GLN 34 Cb 0.05 -0.23 -0.05 0.00 1.07 0.00 0.00 27.48 28.32 1zrj h GLN 34 CO -0.02 0.76 0.60 0.00 -2.65 0.00 0.00 178.83 177.52 1zrj h ALA 35 N 1.27 1.17 -0.19 3.38 0.00 -0.11 0.24 119.26 125.02 1zrj h ALA 35 Ca 0.29 -0.06 -0.18 0.00 0.00 0.00 0.00 54.91 54.97 1zrj h ALA 35 Cb -0.06 -0.36 0.01 0.00 0.00 0.00 0.00 17.79 17.38 1zrj h ALA 35 CO -0.06 0.53 -0.57 0.00 0.00 0.00 0.00 179.25 179.15 1zrj h ALA 36 N 1.35 0.32 -0.47 0.00 0.00 -0.93 -1.60 119.26 117.93 1zrj h ALA 36 Ca 0.34 -0.52 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 1zrj h ALA 36 Cb -0.11 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1zrj h ALA 36 CO -0.08 0.55 0.03 -0.07 0.00 0.00 0.00 179.25 179.68 1zrj h LEU 37 N 0.42 0.79 0.52 0.00 3.38 -0.67 -1.52 115.31 118.24 1zrj h LEU 37 Ca -0.02 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 57.64 1zrj h LEU 37 Cb 1.20 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 41.74 1zrj h LEU 37 CO 0.12 0.88 -0.25 0.77 0.09 0.00 0.00 178.44 180.06 1zrj h SER 38 N 0.67 -0.60 -2.59 -0.43 4.64 -0.57 -3.42 113.55 111.25 1zrj h SER 38 Ca 0.14 0.02 -0.59 0.00 -0.47 0.00 0.00 61.79 60.89 1zrj h SER 38 Cb 0.46 0.15 -0.39 0.00 -0.31 0.00 0.00 62.40 62.32 1zrj h SER 38 CO 0.02 -0.27 -0.88 -0.83 -0.87 0.00 0.00 176.83 173.99 1zrj s GLY 39 N -2.37 1.33 0.00 -0.77 0.00 -0.60 -4.95 107.32 99.96 1zrj s GLY 39 Ca -0.10 -2.46 0.15 0.00 0.00 0.00 0.00 44.72 42.30 1zrj s GLY 39 CO 0.31 1.96 1.40 -1.55 0.00 0.00 0.00 173.10 175.22 1zrj n PRO 40 N 3.10 0.25 -2.33 2.90 -0.04 -0.57 -4.63 135.00 133.68 1zrj n PRO 40 Ca 0.23 0.13 -0.26 0.00 -0.04 0.00 0.00 63.50 63.55 1zrj n PRO 40 Cb 0.43 -1.50 0.16 0.00 -0.04 0.00 0.00 33.50 32.54 1zrj n PRO 40 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1zrj s SER 41 N -2.49 3.63 -0.16 3.54 1.04 -1.26 -5.05 113.70 112.94 1zrj s SER 41 Ca 0.15 -0.21 -0.23 0.00 0.48 0.00 0.00 55.95 56.14 1zrj s SER 41 Cb 0.10 0.07 -0.20 0.00 0.10 0.00 0.00 66.02 66.08 1zrj s SER 41 CO 0.22 -2.37 0.46 -1.28 0.98 0.00 0.00 173.24 171.25 1zrj h SER 42 N -1.09 0.00 0.00 7.02 0.87 -2.03 -3.52 113.55 114.80 1zrj h SER 42 Ca -0.39 -0.69 0.00 0.00 -1.23 0.00 0.00 61.79 59.48 1zrj h SER 42 Cb 1.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.20 1zrj h SER 42 CO 0.35 1.15 0.00 0.61 -0.53 0.00 0.00 176.83 178.41