#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 3.08 1.20 1.61 0.15 -1.26 -5.13 113.70 113.35 1zrj s SER -5 Ca 0.00 -0.74 -0.17 0.00 0.70 0.00 0.00 55.95 55.73 1zrj s SER -5 Cb 0.00 -1.11 0.24 0.00 -1.71 0.00 0.00 66.02 63.44 1zrj s SER -5 CO 0.00 -0.15 0.54 -1.54 1.20 0.00 0.00 173.24 173.29 1zrj n SER -4 N 4.77 -2.66 0.00 5.45 3.41 -1.26 -4.76 113.62 118.57 1zrj n SER -4 Ca -0.14 -0.34 0.00 0.00 -0.26 0.00 0.00 58.87 58.13 1zrj n SER -4 Cb 0.47 -1.03 0.00 0.00 -0.26 0.00 0.00 64.21 63.39 1zrj n SER -4 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1zrj n GLY -3 N 1.75 0.86 3.91 5.00 0.00 -1.26 -4.86 105.19 110.59 1zrj n GLY -3 Ca 0.04 -0.84 -0.22 0.00 0.00 0.00 0.00 46.02 45.00 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 -4.00 4.96 1.00 1.61 0.01 -1.26 -5.09 113.70 110.93 1zrj s SER -2 Ca 0.00 -0.90 -0.19 0.00 1.31 0.00 0.00 55.95 56.17 1zrj s SER -2 Cb 0.00 -0.16 -0.12 0.00 0.21 0.00 0.00 66.02 65.95 1zrj s SER -2 CO 0.00 -0.89 -0.79 -1.20 0.41 0.00 0.00 173.24 170.77 1zrj n SER -1 N -1.72 -4.53 -2.50 2.44 7.64 -1.26 -4.92 113.62 108.76 1zrj n SER -1 Ca 0.04 0.13 -0.26 0.00 1.01 0.00 0.00 58.87 59.80 1zrj n SER -1 Cb 0.62 -0.76 0.00 0.00 -1.01 0.00 0.00 64.21 63.06 1zrj n SER -1 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1zrj n GLY 0 N 3.14 5.67 3.30 0.23 0.00 -1.26 -4.98 105.19 111.29 1zrj n GLY 0 Ca -0.01 -2.66 -0.46 0.00 0.00 0.00 0.00 46.02 42.90 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 -3.51 3.29 -1.17 1.61 1.75 -1.26 -4.99 119.30 115.02 1zrj s MET 1 Ca 0.46 -2.21 -0.15 0.00 -1.25 0.00 0.00 55.69 52.54 1zrj s MET 1 Cb 0.40 -4.32 0.15 0.00 2.84 0.00 0.00 34.83 33.91 1zrj s MET 1 CO -0.17 -1.29 1.42 -0.51 -0.65 0.00 0.00 175.02 173.82 1zrj s ASP 2 N 2.51 6.98 0.47 1.11 1.11 -1.26 -4.83 116.67 122.76 1zrj s ASP 2 Ca 0.13 -2.79 0.23 0.00 0.18 0.00 0.00 52.55 50.30 1zrj s ASP 2 Cb -0.17 -2.42 1.25 0.00 1.07 0.00 0.00 42.92 42.64 1zrj s ASP 2 CO -0.05 -0.84 1.89 1.62 1.18 0.00 0.00 175.17 178.97 1zrj h VAL 3 N 4.94 0.66 -0.68 -1.27 3.04 -1.94 0.28 116.25 121.28 1zrj h VAL 3 Ca 0.30 -0.08 -0.01 0.00 -1.01 0.00 0.00 66.70 65.91 1zrj h VAL 3 Cb 0.90 0.41 -0.03 0.00 -2.01 0.00 0.00 31.29 30.56 1zrj h VAL 3 CO 1.25 0.04 0.39 0.03 -1.01 0.00 0.00 177.57 178.27 1zrj h ARG 4 N 0.22 0.94 -0.31 4.17 2.47 -1.91 -1.92 114.38 118.04 1zrj h ARG 4 Ca 0.42 -0.10 0.09 0.00 -1.26 0.00 0.00 59.98 59.13 1zrj h ARG 4 Cb 1.29 -0.19 -0.01 0.00 -1.65 0.00 0.00 29.97 29.40 1zrj h ARG 4 CO -0.10 0.69 0.23 -0.09 0.56 0.00 0.00 179.97 181.26 1zrj h ARG 5 N 0.93 0.00 -6.26 0.04 1.12 -1.34 -3.40 114.38 105.47 1zrj h ARG 5 Ca 0.24 0.00 -0.56 0.00 -1.11 0.00 0.00 59.98 58.55 1zrj h ARG 5 Cb 0.01 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 29.95 1zrj h ARG 5 CO -0.04 0.00 1.15 -0.51 -3.11 0.00 0.00 179.97 177.45 1zrj s LEU 6 N -8.73 4.04 1.26 3.80 1.43 -0.72 -4.98 118.68 114.78 1zrj s LEU 6 Ca -0.05 1.92 -0.19 0.00 -1.03 0.00 0.00 54.13 54.78 1zrj s LEU 6 Cb 0.18 -3.53 0.28 0.00 0.03 0.00 0.00 46.19 43.15 1zrj s LEU 6 CO 0.69 -1.18 0.64 0.29 0.23 0.00 0.00 176.35 177.02 1zrj n LYS 7 N 7.54 -3.41 -0.05 1.70 4.76 -1.26 -4.56 118.16 122.88 1zrj n LYS 7 Ca 0.19 -1.00 0.01 0.00 -2.87 0.00 0.00 58.31 54.64 1zrj n LYS 7 Cb 0.44 -1.81 0.32 0.00 -1.84 0.00 0.00 35.03 32.15 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 -3.06 1.17 -0.44 -0.18 -1.51 -1.93 -2.10 116.25 108.19 1zrj h VAL 8 Ca -0.41 -0.51 -0.09 0.00 -1.23 0.00 0.00 66.70 64.46 1zrj h VAL 8 Cb 1.17 0.63 -0.01 0.00 -2.13 0.00 0.00 31.29 30.95 1zrj h VAL 8 CO 0.28 0.20 -0.08 -0.55 -1.23 0.00 0.00 177.57 176.19 1zrj h ASN 9 N 0.63 0.83 -0.38 4.19 -1.07 -1.99 -0.23 115.58 117.57 1zrj h ASN 9 Ca 0.16 -0.35 -0.02 0.00 0.07 0.00 0.00 56.30 56.16 1zrj h ASN 9 Cb 0.12 -0.23 -0.02 0.00 -2.07 0.00 0.00 38.32 36.12 1zrj h ASN 9 CO -0.02 0.99 0.16 -0.33 0.07 0.00 0.00 177.43 178.30 1zrj h GLU 10 N 0.67 0.56 -0.42 4.14 4.39 -1.77 -1.88 114.58 120.27 1zrj h GLU 10 Ca 0.12 -0.10 -0.12 0.00 0.34 0.00 0.00 59.36 59.60 1zrj h GLU 10 Cb 0.61 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 1zrj h GLU 10 CO 0.04 0.53 -0.22 -0.07 -1.16 0.00 0.00 179.01 178.13 1zrj h LEU 11 N 0.47 0.86 -0.69 1.33 3.38 -1.34 -2.43 115.31 116.89 1zrj h LEU 11 Ca 0.13 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1zrj h LEU 11 Cb 0.17 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 1zrj h LEU 11 CO -0.01 1.04 0.44 -0.09 0.09 0.00 0.00 178.44 179.91 1zrj h ARG 12 N 0.73 0.92 -0.26 1.13 2.43 -0.83 0.20 114.38 118.71 1zrj h ARG 12 Ca 0.10 -0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.16 1zrj h ARG 12 Cb 0.75 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 30.09 1zrj h ARG 12 CO 0.06 0.63 0.02 0.93 -1.51 0.00 0.00 179.97 180.10 1zrj h GLU 13 N 0.93 0.44 0.07 0.20 4.39 -1.23 -1.38 114.58 118.00 1zrj h GLU 13 Ca 0.25 -0.13 -0.00 0.00 0.34 0.00 0.00 59.36 59.82 1zrj h GLU 13 Cb -0.07 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.54 1zrj h GLU 13 CO -0.05 0.59 -0.03 0.93 -1.16 0.00 0.00 179.01 179.29 1zrj h GLU 14 N 0.24 -0.08 -0.66 2.33 4.39 -1.19 -1.73 114.58 117.89 1zrj h GLU 14 Ca 0.08 0.01 0.07 0.00 0.34 0.00 0.00 59.36 59.86 1zrj h GLU 14 Cb 0.37 0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 28.98 1zrj h GLU 14 CO 0.01 0.13 0.33 -0.07 -1.16 0.00 0.00 179.01 178.25 1zrj h LEU 15 N -0.29 0.45 -0.57 1.33 3.38 -0.62 -1.52 115.31 117.47 1zrj h LEU 15 Ca -0.01 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 1zrj h LEU 15 Cb 0.25 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 1zrj h LEU 15 CO 0.01 0.28 0.33 1.56 0.09 0.00 0.00 178.44 180.72 1zrj h GLN 16 N 0.59 0.78 0.00 1.13 1.08 -1.14 0.37 115.11 117.92 1zrj h GLN 16 Ca 0.31 -0.08 -0.00 0.00 -1.45 0.00 0.00 58.65 57.43 1zrj h GLN 16 Cb 0.27 -0.16 -0.00 0.00 -0.05 0.00 0.00 27.48 27.54 1zrj h GLN 16 CO -0.23 0.57 -0.02 -0.09 -0.95 0.00 0.00 178.83 178.12 1zrj h ARG 17 N 0.77 0.00 -0.53 1.46 2.43 -0.52 -1.07 114.38 116.92 1zrj h ARG 17 Ca 0.20 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 1zrj h ARG 17 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1zrj h ARG 17 CO -0.04 0.02 0.00 0.54 -1.51 0.00 0.00 179.97 178.98 1zrj n ARG 18 N -3.17 3.48 -1.74 0.20 1.74 -0.57 -4.93 116.66 111.67 1zrj n ARG 18 Ca -0.01 -2.75 -0.18 0.00 -0.77 0.00 0.00 57.85 54.14 1zrj n ARG 18 Cb 0.19 -1.79 -0.06 0.00 -1.02 0.00 0.00 32.46 29.78 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 0.74 1.14 3.86 -0.13 0.00 -0.40 -4.95 105.19 105.45 1zrj n GLY 19 Ca 0.23 0.00 -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 -4.72 4.34 0.36 0.99 1.43 0.12 -4.99 118.68 116.20 1zrj s LEU 20 Ca 0.00 0.85 -0.27 0.00 -1.03 0.00 0.00 54.13 53.68 1zrj s LEU 20 Cb 0.00 -3.05 -0.12 0.00 0.03 0.00 0.00 46.19 43.05 1zrj s LEU 20 CO 0.00 0.15 1.23 -0.67 0.23 0.00 0.00 176.35 177.30 1zrj n ASP 21 N 0.87 2.44 -1.47 2.29 -0.08 -1.26 -4.06 116.55 115.27 1zrj n ASP 21 Ca -0.07 1.17 -0.12 0.00 -1.51 0.00 0.00 54.79 54.26 1zrj n ASP 21 Cb 0.52 -1.45 0.15 0.00 2.34 0.00 0.00 41.12 42.67 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 0.16 2.66 -3.41 5.18 -2.24 -1.26 -4.91 114.28 110.47 1zrj n THR 22 Ca 0.06 -3.14 -0.19 0.00 -2.27 0.00 0.00 64.05 58.51 1zrj n THR 22 Cb 0.36 -0.59 -0.01 0.00 -2.10 0.00 0.00 70.33 67.99 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 -3.40 2.93 0.00 -0.78 1.81 -1.26 -5.03 118.95 113.22 1zrj s ARG 23 Ca 0.48 -1.16 0.00 0.00 -1.72 0.00 0.00 55.73 53.33 1zrj s ARG 23 Cb 0.42 -2.72 0.00 0.00 -0.45 0.00 0.00 34.95 32.20 1zrj s ARG 23 CO 0.00 -0.04 0.00 0.41 -0.68 0.00 0.00 175.30 174.99 1zrj n GLY 24 N -1.65 0.11 3.57 -3.53 0.00 -1.26 -4.54 105.19 97.89 1zrj n GLY 24 Ca 0.02 -1.84 -0.29 0.00 0.00 0.00 0.00 46.02 43.91 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 -1.56 0.74 0.13 0.99 1.43 -1.26 -4.73 118.68 114.43 1zrj s LEU 25 Ca 0.00 0.95 -0.20 0.00 -1.03 0.00 0.00 54.13 53.85 1zrj s LEU 25 Cb 0.00 -2.81 -0.01 0.00 0.03 0.00 0.00 46.19 43.40 1zrj s LEU 25 CO 0.00 -4.00 1.69 0.50 0.23 0.00 0.00 176.35 174.77 1zrj h LYS 26 N -2.49 -0.04 -0.81 1.70 3.64 -1.99 -1.83 116.57 114.75 1zrj h LYS 26 Ca -0.51 0.00 0.11 0.00 -1.27 0.00 0.00 60.65 58.98 1zrj h LYS 26 Cb 1.32 0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 33.07 1zrj h LYS 26 CO 0.44 -0.03 0.44 0.00 -2.27 0.00 0.00 179.45 178.03 1zrj h ALA 27 N 1.15 1.17 -0.63 5.00 0.00 -1.98 -1.04 119.26 122.94 1zrj h ALA 27 Ca 0.11 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.08 1zrj h ALA 27 Cb 0.20 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1zrj h ALA 27 CO -0.24 0.02 0.41 0.93 0.00 0.00 0.00 179.25 180.38 1zrj h GLU 28 N 0.71 0.82 -0.56 0.00 4.39 -1.70 -1.63 114.58 116.62 1zrj h GLU 28 Ca 0.41 -0.05 -0.06 0.00 0.34 0.00 0.00 59.36 60.00 1zrj h GLU 28 Cb 0.44 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.88 1zrj h GLU 28 CO -0.28 0.54 0.11 -0.07 -1.16 0.00 0.00 179.01 178.15 1zrj h LEU 29 N 0.84 0.82 -0.36 1.33 3.38 -0.51 -1.26 115.31 119.55 1zrj h LEU 29 Ca 0.23 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1zrj h LEU 29 Cb -0.09 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.43 1zrj h LEU 29 CO -0.05 0.81 0.11 0.00 0.09 0.00 0.00 178.44 179.40 1zrj h ALA 30 N 1.29 0.48 -0.53 1.53 0.00 -0.67 -1.92 119.26 119.43 1zrj h ALA 30 Ca 0.18 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1zrj h ALA 30 Cb 0.33 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1zrj h ALA 30 CO 0.00 0.12 -0.00 0.93 0.00 0.00 0.00 179.25 180.30 1zrj h GLU 31 N 0.44 0.94 0.29 0.00 4.39 -1.11 -1.09 114.58 118.44 1zrj h GLU 31 Ca 0.12 -0.30 -0.01 0.00 0.34 0.00 0.00 59.36 59.51 1zrj h GLU 31 Cb 0.25 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 1zrj h GLU 31 CO -0.00 0.96 -0.21 -0.09 -1.16 0.00 0.00 179.01 178.50 1zrj h ARG 32 N 0.81 -0.48 -0.54 2.33 2.43 -1.10 0.25 114.38 118.08 1zrj h ARG 32 Ca 0.15 0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.34 1zrj h ARG 32 Cb 0.53 0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 30.17 1zrj h ARG 32 CO 0.03 -0.32 0.30 1.25 -1.51 0.00 0.00 179.97 179.71 1zrj h LEU 33 N -0.50 0.67 -0.84 3.80 5.85 -1.34 -2.63 115.31 120.33 1zrj h LEU 33 Ca -0.02 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 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 0.00 0.57 0.47 -0.61 -0.34 0.00 0.00 178.44 178.54 1zrj h GLN 34 N 0.72 1.17 -0.75 1.25 5.75 -0.98 -2.15 115.11 120.12 1zrj h GLN 34 Ca 0.19 -0.13 0.07 0.00 -0.15 0.00 0.00 58.65 58.63 1zrj h GLN 34 Cb 0.05 -0.23 -0.06 0.00 1.07 0.00 0.00 27.48 28.30 1zrj h GLN 34 CO -0.03 0.85 0.43 0.00 -2.65 0.00 0.00 178.83 177.42 1zrj h ALA 35 N 1.25 1.02 -0.34 3.38 0.00 -0.15 -0.24 119.26 124.19 1zrj h ALA 35 Ca 0.30 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.17 1zrj h ALA 35 Cb 0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1zrj h ALA 35 CO -0.05 0.10 -0.02 0.00 0.00 0.00 0.00 179.25 179.28 1zrj h ALA 36 N 1.39 0.46 -0.82 0.00 0.00 -1.19 -3.07 119.26 116.03 1zrj h ALA 36 Ca 0.34 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1zrj h ALA 36 Cb 0.24 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1zrj h ALA 36 CO -0.20 0.24 0.54 -0.07 0.00 0.00 0.00 179.25 179.75 1zrj h LEU 37 N 0.41 0.94 -8.38 0.00 3.38 -0.84 -3.40 115.31 107.42 1zrj h LEU 37 Ca 0.09 -0.03 -0.41 0.00 0.09 0.00 0.00 57.88 57.62 1zrj h LEU 37 Cb 0.49 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1zrj h LEU 37 CO 0.02 0.69 1.50 -0.24 0.09 0.00 0.00 178.44 180.50 1zrj n SER 38 N -4.51 1.52 -4.18 -0.43 2.88 -0.15 -4.86 113.62 103.89 1zrj n SER 38 Ca 0.08 -0.45 -0.39 0.00 -1.33 0.00 0.00 58.87 56.78 1zrj n SER 38 Cb 0.02 -1.36 -0.05 0.00 -0.75 0.00 0.00 64.21 62.06 1zrj n SER 38 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1zrj s GLY 39 N 10.60 2.99 0.00 0.46 0.00 -1.26 -4.87 107.32 115.23 1zrj s GLY 39 Ca 1.09 -3.70 0.15 0.00 0.00 0.00 0.00 44.72 42.26 1zrj s GLY 39 CO 0.32 1.22 1.37 -1.55 0.00 0.00 0.00 173.10 174.45 1zrj n PRO 40 N 2.76 0.37 -1.49 2.90 -0.04 -1.26 -4.82 135.00 133.42 1zrj n PRO 40 Ca 0.19 0.06 -0.55 0.00 -0.04 0.00 0.00 63.50 63.16 1zrj n PRO 40 Cb 0.39 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.27 1zrj n PRO 40 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1zrj n SER 41 N -1.11 1.95 -4.33 3.54 7.64 -1.26 -4.87 113.62 115.17 1zrj n SER 41 Ca 0.10 0.67 -0.46 0.00 1.01 0.00 0.00 58.87 60.19 1zrj n SER 41 Cb 0.08 -1.15 -0.02 0.00 -1.01 0.00 0.00 64.21 62.11 1zrj n SER 41 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1zrj s SER 42 N 5.88 6.87 0.00 6.43 0.15 -1.26 -5.29 113.70 126.48 1zrj s SER 42 Ca 1.08 -2.90 0.00 0.00 0.70 0.00 0.00 55.95 54.83 1zrj s SER 42 Cb -1.05 -2.20 0.00 0.00 -1.71 0.00 0.00 66.02 61.06 1zrj s SER 42 CO 0.58 -0.51 0.00 0.61 1.20 0.00 0.00 173.24 175.12