#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wfa h THR 2 N 0.00 1.03 -0.70 5.18 2.02 -2.05 -1.29 112.91 117.09 1wfa h THR 2 Ca 0.00 -0.09 -0.03 0.00 0.77 0.00 0.00 66.41 67.06 1wfa h THR 2 Cb 0.00 0.76 -0.03 0.00 -1.74 0.00 0.00 68.15 67.14 1wfa h THR 2 CO 0.00 0.05 0.32 0.00 0.37 0.00 0.00 175.52 176.26 1wfa h ALA 3 N 1.09 0.91 -0.74 6.16 0.00 -2.05 -1.26 119.26 123.37 1wfa h ALA 3 Ca 0.08 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1wfa h ALA 3 Cb -0.01 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 1wfa h ALA 3 CO -0.03 0.49 0.24 0.77 0.00 0.00 0.00 179.25 180.72 1wfa h SER 4 N 0.99 1.06 -0.47 0.00 0.02 -1.96 -0.90 113.55 112.28 1wfa h SER 4 Ca 0.24 -0.20 -0.11 0.00 -0.84 0.00 0.00 61.79 60.88 1wfa h SER 4 Cb 0.15 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 1wfa h SER 4 CO -0.03 0.98 -0.12 0.44 -1.14 0.00 0.00 176.83 176.96 1wfa h ASP 5 N 1.09 0.95 -0.44 3.07 3.32 -0.76 -0.38 116.42 123.27 1wfa h ASP 5 Ca 0.24 -0.31 -0.13 0.00 0.02 0.00 0.00 57.03 56.85 1wfa h ASP 5 Cb 0.29 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 1wfa h ASP 5 CO -0.01 1.08 -0.23 0.00 -1.72 0.00 0.00 179.24 178.36 1wfa h ALA 6 N 1.00 0.63 -0.59 3.45 0.00 -1.12 -0.87 119.26 121.76 1wfa h ALA 6 Ca 0.13 -0.39 0.02 0.00 0.00 0.00 0.00 54.91 54.67 1wfa h ALA 6 Cb 0.67 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 1wfa h ALA 6 CO 0.05 0.62 0.36 0.00 0.00 0.00 0.00 179.25 180.28 1wfa h ALA 7 N 0.84 0.76 -0.68 0.00 0.00 -0.95 -2.23 119.26 117.00 1wfa h ALA 7 Ca 0.10 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1wfa h ALA 7 Cb 0.80 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1wfa h ALA 7 CO 0.07 0.10 0.41 0.00 0.00 0.00 0.00 179.25 179.83 1wfa h ALA 8 N 1.25 0.87 -0.91 0.00 0.00 -0.89 -0.65 119.26 118.93 1wfa h ALA 8 Ca 0.24 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.09 1wfa h ALA 8 Cb 0.01 -0.27 -0.05 0.00 0.00 0.00 0.00 17.79 17.48 1wfa h ALA 8 CO -0.09 0.34 0.59 0.00 0.00 0.00 0.00 179.25 180.09 1wfa h ALA 9 N 1.21 1.18 -0.36 0.00 0.00 -0.91 0.99 119.26 121.37 1wfa h ALA 9 Ca 0.24 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 55.00 1wfa h ALA 9 Cb -0.03 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 1wfa h ALA 9 CO -0.05 0.48 -0.20 0.00 0.00 0.00 0.00 179.25 179.49 1wfa h ALA 10 N 1.36 0.51 -0.05 0.00 0.00 -1.14 -1.19 119.26 118.75 1wfa h ALA 10 Ca 0.35 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1wfa h ALA 10 Cb -0.05 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1wfa h ALA 10 CO -0.10 0.47 0.03 0.00 0.00 0.00 0.00 179.25 179.64 1wfa h ALA 11 N 0.79 0.07 -0.67 0.00 0.00 -0.58 -0.55 119.26 118.32 1wfa h ALA 11 Ca 0.08 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1wfa h ALA 11 Cb 0.75 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.50 1wfa h ALA 11 CO 0.06 -0.38 0.10 1.25 0.00 0.00 0.00 179.25 180.28 1wfa h LEU 12 N -0.01 1.06 -0.38 0.00 5.85 -0.82 -1.22 115.31 119.79 1wfa h LEU 12 Ca 0.02 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.47 1wfa h LEU 12 Cb 0.09 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 1wfa h LEU 12 CO -0.00 1.05 0.18 0.74 -0.34 0.00 0.00 178.44 180.07 1wfa h THR 13 N 1.03 1.17 -0.73 1.05 2.02 -0.92 -1.54 112.91 114.99 1wfa h THR 13 Ca 0.20 -0.48 -0.06 0.00 0.77 0.00 0.00 66.41 66.84 1wfa h THR 13 Cb 0.45 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 67.62 1wfa h THR 13 CO 0.01 0.18 0.22 0.00 0.37 0.00 0.00 175.52 176.30 1wfa h ALA 14 N 1.03 1.00 -0.48 6.16 0.00 -0.94 -0.64 119.26 125.39 1wfa h ALA 14 Ca 0.13 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.68 1wfa h ALA 14 Cb 0.12 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1wfa h ALA 14 CO -0.02 0.66 -0.21 0.00 0.00 0.00 0.00 179.25 179.68 1wfa h ALA 15 N 1.14 0.71 -0.22 0.00 0.00 -1.07 -0.79 119.26 119.03 1wfa h ALA 15 Ca 0.24 -0.39 -0.14 0.00 0.00 0.00 0.00 54.91 54.62 1wfa h ALA 15 Cb 0.32 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1wfa h ALA 15 CO -0.01 0.67 -0.45 -0.91 0.00 0.00 0.00 179.25 178.56 1wfa h ASN 16 N 0.84 0.59 -0.09 0.00 2.35 -0.98 -1.13 115.58 117.16 1wfa h ASN 16 Ca 0.11 -0.28 -0.16 0.00 -0.55 0.00 0.00 56.30 55.42 1wfa h ASN 16 Cb 0.79 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.99 1wfa h ASN 16 CO 0.07 0.95 -0.52 0.00 -1.65 0.00 0.00 177.43 176.28 1wfa h ALA 17 N 1.07 0.65 -0.41 -0.83 0.00 -0.97 -1.62 119.26 117.15 1wfa h ALA 17 Ca 0.03 -0.50 -0.07 0.00 0.00 0.00 0.00 54.91 54.37 1wfa h ALA 17 Cb 0.96 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1wfa h ALA 17 CO 0.09 0.68 -0.02 -0.22 0.00 0.00 0.00 179.25 179.78 1wfa h LYS 18 N 0.52 0.74 -0.60 0.00 3.64 -0.91 -1.37 116.57 118.59 1wfa h LYS 18 Ca 0.02 -0.24 0.01 0.00 -1.27 0.00 0.00 60.65 59.17 1wfa h LYS 18 Cb 1.08 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.80 1wfa h LYS 18 CO 0.10 0.83 0.38 0.00 -2.27 0.00 0.00 179.45 178.50 1wfa h ALA 19 N 0.88 0.77 -0.73 5.00 0.00 -1.17 -0.68 119.26 123.33 1wfa h ALA 19 Ca 0.12 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1wfa h ALA 19 Cb 0.50 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1wfa h ALA 19 CO 0.02 0.15 0.25 0.00 0.00 0.00 0.00 179.25 179.68 1wfa h ALA 20 N 1.24 1.06 -0.37 0.00 0.00 -1.07 -1.07 119.26 119.05 1wfa h ALA 20 Ca 0.23 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1wfa h ALA 20 Cb -0.04 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 1wfa h ALA 20 CO -0.07 0.65 -0.10 0.00 0.00 0.00 0.00 179.25 179.72 1wfa h ALA 21 N 1.19 1.14 -0.29 0.00 0.00 -0.74 -2.26 119.26 118.30 1wfa h ALA 21 Ca 0.24 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1wfa h ALA 21 Cb 0.27 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1wfa h ALA 21 CO -0.01 0.54 0.11 0.93 0.00 0.00 0.00 179.25 180.82 1wfa h GLU 22 N 0.58 0.44 -0.49 0.00 5.08 -0.38 -0.89 114.58 118.91 1wfa h GLU 22 Ca 0.10 -0.08 0.04 0.00 -1.00 0.00 0.00 59.36 58.42 1wfa h GLU 22 Cb 0.52 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.66 1wfa h GLU 22 CO 0.03 0.47 0.25 1.25 -1.00 0.00 0.00 179.01 180.01 1wfa h LEU 23 N 0.31 0.36 -0.63 1.33 5.85 -1.07 -0.34 115.31 121.13 1wfa h LEU 23 Ca 0.10 0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 1wfa h LEU 23 Cb 0.20 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 1wfa h LEU 23 CO -0.01 0.25 0.31 0.74 -0.34 0.00 0.00 178.44 179.40 1wfa h THR 24 N 0.49 1.22 -0.66 1.05 2.02 -1.20 -1.92 112.91 113.90 1wfa h THR 24 Ca 0.22 -0.60 -0.07 0.00 0.77 0.00 0.00 66.41 66.72 1wfa h THR 24 Cb 0.12 0.45 -0.03 0.00 -1.74 0.00 0.00 68.15 66.95 1wfa h THR 24 CO -0.15 0.25 0.12 0.00 0.37 0.00 0.00 175.52 176.11 1wfa h ALA 25 N 1.14 0.88 -0.59 6.16 0.00 -0.77 0.10 119.26 126.18 1wfa h ALA 25 Ca 0.22 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1wfa h ALA 25 Cb 0.11 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1wfa h ALA 25 CO -0.03 0.63 0.38 0.00 0.00 0.00 0.00 179.25 180.24 1wfa h ALA 26 N 1.05 0.76 -0.62 0.00 0.00 -0.91 0.12 119.26 119.66 1wfa h ALA 26 Ca 0.20 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 1wfa h ALA 26 Cb 0.42 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1wfa h ALA 26 CO 0.01 0.15 0.14 -0.91 0.00 0.00 0.00 179.25 178.64 1wfa h ASN 27 N 0.77 0.94 0.10 0.00 2.35 -1.03 -0.76 115.58 117.95 1wfa h ASN 27 Ca 0.23 -0.24 -0.10 0.00 -0.55 0.00 0.00 56.30 55.64 1wfa h ASN 27 Cb -0.04 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.06 1wfa h ASN 27 CO -0.07 0.93 -0.34 0.00 -1.65 0.00 0.00 177.43 176.31 1wfa h ALA 28 N 1.04 1.11 -0.16 -0.83 0.00 -0.17 -0.69 119.26 119.57 1wfa h ALA 28 Ca 0.19 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1wfa h ALA 28 Cb 0.37 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1wfa h ALA 28 CO 0.00 0.57 0.03 0.00 0.00 0.00 0.00 179.25 179.85 1wfa h ALA 29 N 1.35 0.21 -0.79 0.00 0.00 -0.42 -1.78 119.26 117.84 1wfa h ALA 29 Ca 0.04 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.84 1wfa h ALA 29 Cb 0.74 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.42 1wfa h ALA 29 CO 0.06 -0.14 0.49 0.00 0.00 0.00 0.00 179.25 179.67 1wfa h ALA 30 N 0.83 1.06 -0.51 0.00 0.00 -0.89 -2.01 119.26 117.74 1wfa h ALA 30 Ca 0.05 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 1wfa h ALA 30 Cb 0.28 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1wfa h ALA 30 CO 0.00 0.27 -0.09 0.00 0.00 0.00 0.00 179.25 179.43 1wfa h ALA 31 N 1.36 0.87 -0.46 0.00 0.00 -0.85 -1.79 119.26 118.39 1wfa h ALA 31 Ca 0.33 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1wfa h ALA 31 Cb 0.09 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1wfa h ALA 31 CO -0.14 0.65 0.09 0.00 0.00 0.00 0.00 179.25 179.84 1wfa h ALA 32 N 1.04 0.62 -0.43 0.00 0.00 -0.81 -1.50 119.26 118.18 1wfa h ALA 32 Ca 0.14 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 1wfa h ALA 32 Cb 0.63 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1wfa h ALA 32 CO 0.04 0.33 -0.18 0.00 0.00 0.00 0.00 179.25 179.44 1wfa h ALA 33 N 0.96 0.60 -0.37 0.00 0.00 -1.27 -2.52 119.26 116.66 1wfa h ALA 33 Ca 0.14 -0.37 -0.11 0.00 0.00 0.00 0.00 54.91 54.58 1wfa h ALA 33 Cb 0.36 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1wfa h ALA 33 CO 0.01 0.55 -0.22 0.00 0.00 0.00 0.00 179.25 179.58 1wfa h ALA 34 N 0.84 0.92 -0.48 0.00 0.00 -1.27 -3.04 119.26 116.23 1wfa h ALA 34 Ca 0.10 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.56 1wfa h ALA 34 Cb 0.74 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1wfa h ALA 34 CO 0.06 0.62 -0.06 0.00 0.00 0.00 0.00 179.25 179.86 1wfa h THR 35 N 0.63 1.26 0.00 0.00 1.03 -1.04 -1.48 112.91 113.31 1wfa h THR 35 Ca 0.09 -1.13 0.00 0.00 -0.01 0.00 0.00 66.41 65.36 1wfa h THR 35 Cb 0.71 0.96 0.00 0.00 -1.07 0.00 0.00 68.15 68.75 1wfa h THR 35 CO 0.05 0.39 0.00 0.00 -0.01 0.00 0.00 175.52 175.96 1wfa h ALA 36 N 1.16 1.00 -0.03 0.00 0.00 -1.38 -3.51 119.26 116.50 1wfa h ALA 36 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1wfa h ALA 36 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1wfa h ALA 36 CO 0.03 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.82