#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1g s ALA 3 N 0.00 3.28 -0.44 3.17 0.00 -1.26 -4.86 121.76 121.65 3i1g s ALA 3 Ca 0.00 1.37 0.18 0.00 0.00 0.00 0.00 51.96 53.50 3i1g s ALA 3 Cb 0.00 -3.54 0.90 0.00 0.00 0.00 0.00 23.12 20.47 3i1g s ALA 3 CO 0.00 -1.01 1.55 0.94 0.00 0.00 0.00 175.76 177.23 3i1g n GLN 4 N 0.01 0.12 -0.09 0.00 7.27 -1.26 -0.90 117.38 122.53 3i1g n GLN 4 Ca 0.04 0.55 -0.08 0.00 0.07 0.00 0.00 57.00 57.58 3i1g n GLN 4 Cb 0.42 -1.84 0.08 0.00 2.41 0.00 0.00 30.24 31.32 3i1g n GLN 4 CO 0.00 0.00 0.00 1.25 0.07 0.00 0.00 177.06 178.38 3i1g h LEU 5 N 0.00 0.81 -1.03 1.69 5.85 -2.00 -2.47 115.31 118.17 3i1g h LEU 5 Ca 0.00 -0.30 -0.04 0.00 0.84 0.00 0.00 57.88 58.38 3i1g h LEU 5 Cb 0.09 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 3i1g h LEU 5 CO 0.00 1.01 0.24 -0.33 -0.34 0.00 0.00 178.44 179.03 3i1g h GLU 6 N 0.69 0.94 -0.40 1.25 5.08 -1.38 -1.40 114.58 119.36 3i1g h GLU 6 Ca 0.09 -0.16 -0.09 0.00 -1.00 0.00 0.00 59.36 58.21 3i1g h GLU 6 Cb 0.75 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 3i1g h GLU 6 CO 0.06 0.78 -0.12 0.00 -1.00 0.00 0.00 179.01 178.73 3i1g h ALA 7 N 1.34 1.05 -0.20 3.43 0.00 -1.56 -1.20 119.26 122.12 3i1g h ALA 7 Ca 0.22 -0.31 -0.16 0.00 0.00 0.00 0.00 54.91 54.66 3i1g h ALA 7 Cb 0.20 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3i1g h ALA 7 CO -0.02 0.58 -0.52 -0.22 0.00 0.00 0.00 179.25 179.07 3i1g h LYS 8 N 0.65 0.57 -0.28 0.00 1.63 -0.96 -1.10 116.57 117.09 3i1g h LYS 8 Ca 0.11 -0.35 -0.13 0.00 -0.85 0.00 0.00 60.65 59.44 3i1g h LYS 8 Cb 0.57 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.22 3i1g h LYS 8 CO 0.04 0.95 -0.35 0.28 -3.45 0.00 0.00 179.45 176.92 3i1g h VAL 9 N 0.45 1.29 -0.66 2.00 2.07 -1.02 -2.15 116.25 118.23 3i1g h VAL 9 Ca 0.02 -1.49 -0.08 0.00 0.82 0.00 0.00 66.70 65.96 3i1g h VAL 9 Cb 1.06 1.46 -0.03 0.00 -1.52 0.00 0.00 31.29 32.26 3i1g h VAL 9 CO 0.10 0.48 0.09 -0.33 0.02 0.00 0.00 177.57 177.93 3i1g h GLU 10 N 0.52 1.11 -0.74 1.57 5.08 -1.03 -1.28 114.58 119.80 3i1g h GLU 10 Ca 0.05 -0.31 -0.04 0.00 -1.00 0.00 0.00 59.36 58.07 3i1g h GLU 10 Cb 0.85 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.94 3i1g h GLU 10 CO 0.07 1.02 0.30 0.93 -1.00 0.00 0.00 179.01 180.33 3i1g h GLU 11 N 1.03 1.11 -0.39 2.33 5.08 -0.97 0.25 114.58 123.02 3i1g h GLU 11 Ca 0.20 -0.20 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 3i1g h GLU 11 Cb 0.46 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 3i1g h GLU 11 CO 0.02 0.91 0.06 -0.07 -1.00 0.00 0.00 179.01 178.93 3i1g h LEU 12 N 1.07 0.62 -0.46 1.33 3.38 -1.15 -0.07 115.31 120.03 3i1g h LEU 12 Ca 0.25 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3i1g h LEU 12 Cb 0.22 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3i1g h LEU 12 CO -0.02 0.73 0.26 -0.07 0.09 0.00 0.00 178.44 179.43 3i1g h LEU 13 N 0.50 0.57 -0.71 1.67 3.38 -0.90 0.40 115.31 120.22 3i1g h LEU 13 Ca 0.12 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 3i1g h LEU 13 Cb 0.37 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 3i1g h LEU 13 CO 0.01 0.49 0.29 0.28 0.09 0.00 0.00 178.44 179.60 3i1g h SER 14 N 0.61 0.97 -0.39 -0.43 0.02 -0.79 -0.62 113.55 112.91 3i1g h SER 14 Ca 0.16 -0.17 -0.07 0.00 -0.84 0.00 0.00 61.79 60.88 3i1g h SER 14 Cb 0.04 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.31 3i1g h SER 14 CO -0.03 0.87 -0.00 0.50 -1.14 0.00 0.00 176.83 177.03 3i1g h LYS 15 N 1.01 0.79 -0.49 3.45 3.64 -0.68 -0.47 116.57 123.83 3i1g h LYS 15 Ca 0.24 -0.21 -0.07 0.00 -1.27 0.00 0.00 60.65 59.34 3i1g h LYS 15 Cb 0.19 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 3i1g h LYS 15 CO -0.02 0.80 0.03 -0.91 -2.27 0.00 0.00 179.45 177.08 3i1g h ASN 16 N 0.73 0.82 -0.54 4.20 4.21 -0.34 -1.16 115.58 123.49 3i1g h ASN 16 Ca 0.14 -0.29 -0.05 0.00 1.21 0.00 0.00 56.30 57.32 3i1g h ASN 16 Cb 0.45 -0.22 -0.02 0.00 -1.12 0.00 0.00 38.32 37.41 3i1g h ASN 16 CO 0.02 0.90 0.16 -0.50 -1.29 0.00 0.00 177.43 176.72 3i1g h TRP 17 N 0.70 0.88 -0.76 1.19 6.55 -0.69 -1.41 115.95 122.41 3i1g h TRP 17 Ca 0.14 -0.09 -0.05 0.00 0.95 0.00 0.00 58.89 59.84 3i1g h TRP 17 Cb 0.46 -0.25 -0.03 0.00 -0.86 0.00 0.00 29.16 28.48 3i1g h TRP 17 CO 0.03 0.76 0.29 -0.91 -1.05 0.00 0.00 178.44 177.56 3i1g h ASN 18 N 0.76 1.05 -0.28 -3.49 2.35 -0.89 0.17 115.58 115.25 3i1g h ASN 18 Ca 0.17 -0.17 -0.05 0.00 -0.55 0.00 0.00 56.30 55.71 3i1g h ASN 18 Cb 0.30 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 3i1g h ASN 18 CO -0.00 0.94 -0.02 -0.07 -1.65 0.00 0.00 177.43 176.63 3i1g h LEU 19 N 1.11 0.50 -0.96 1.61 3.38 -1.04 -1.18 115.31 118.73 3i1g h LEU 19 Ca 0.25 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 3i1g h LEU 19 Cb 0.22 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 3i1g h LEU 19 CO -0.02 0.70 0.33 -0.33 0.09 0.00 0.00 178.44 179.22 3i1g h GLU 20 N 0.29 1.08 -0.34 1.13 5.08 -1.05 -0.94 114.58 119.83 3i1g h GLU 20 Ca 0.08 -0.17 -0.12 0.00 -1.00 0.00 0.00 59.36 58.15 3i1g h GLU 20 Cb 0.46 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 3i1g h GLU 20 CO 0.02 0.85 -0.28 -0.97 -1.00 0.00 0.00 179.01 177.63 3i1g h ASN 21 N 1.07 0.74 -0.11 1.42 -0.00 -0.85 0.32 115.58 118.17 3i1g h ASN 21 Ca 0.25 -0.29 -0.02 0.00 -0.00 0.00 0.00 56.30 56.25 3i1g h ASN 21 Cb 0.15 -0.20 -0.00 0.00 -0.00 0.00 0.00 38.32 38.26 3i1g h ASN 21 CO -0.03 0.98 0.01 -0.08 -0.00 0.00 0.00 177.43 178.31 3i1g h GLU 22 N 0.61 0.19 -0.86 6.67 4.81 -0.77 -0.72 114.58 124.50 3i1g h GLU 22 Ca 0.08 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 3i1g h GLU 22 Cb 0.79 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.11 3i1g h GLU 22 CO 0.07 0.42 0.52 0.28 -0.73 0.00 0.00 179.01 179.57 3i1g h VAL 23 N -0.06 1.24 -0.59 0.32 2.07 -1.06 -0.45 116.25 117.72 3i1g h VAL 23 Ca 0.03 -0.52 -0.06 0.00 0.82 0.00 0.00 66.70 66.98 3i1g h VAL 23 Cb 0.33 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.09 3i1g h VAL 23 CO 0.00 0.25 0.14 0.00 0.02 0.00 0.00 177.57 177.98 3i1g h ALA 24 N 1.39 0.78 -0.14 1.67 0.00 -0.68 -0.80 119.26 121.48 3i1g h ALA 24 Ca 0.31 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 3i1g h ALA 24 Cb -0.05 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3i1g h ALA 24 CO -0.06 0.49 -0.35 0.00 0.00 0.00 0.00 179.25 179.33 3i1g h ARG 25 N 0.85 0.28 -0.23 0.00 3.08 -0.52 -2.33 114.38 115.51 3i1g h ARG 25 Ca 0.18 -0.12 -0.15 0.00 0.07 0.00 0.00 59.98 59.97 3i1g h ARG 25 Cb 0.36 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 3i1g h ARG 25 CO 0.00 0.60 -0.47 -0.07 -1.07 0.00 0.00 179.97 178.96 3i1g h LEU 26 N 0.24 0.65 -0.86 3.04 3.38 -0.73 -1.95 115.31 119.08 3i1g h LEU 26 Ca 0.03 -0.32 -0.05 0.00 0.09 0.00 0.00 57.88 57.63 3i1g h LEU 26 Cb 0.74 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.27 3i1g h LEU 26 CO 0.06 1.02 0.26 0.11 0.09 0.00 0.00 178.44 179.98 3i1g h LYS 27 N 0.48 1.11 -0.48 1.13 1.57 -0.89 -2.07 116.57 117.43 3i1g h LYS 27 Ca 0.03 -0.21 -0.12 0.00 -1.87 0.00 0.00 60.65 58.48 3i1g h LYS 27 Cb 1.00 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 33.12 3i1g h LYS 27 CO 0.09 0.92 -0.18 -0.22 -0.57 0.00 0.00 179.45 179.49 3i1g h LYS 28 N 1.07 0.94 -0.56 3.15 3.64 -1.25 0.42 116.57 123.98 3i1g h LYS 28 Ca 0.24 -0.37 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 3i1g h LYS 28 Cb 0.25 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.99 3i1g h LYS 28 CO -0.02 1.03 0.37 -0.07 -2.27 0.00 0.00 179.45 178.50 3i1g h LEU 29 N 0.82 0.65 -0.71 5.20 3.38 -0.96 -2.58 115.31 121.12 3i1g h LEU 29 Ca 0.12 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3i1g h LEU 29 Cb 0.73 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.32 3i1g h LEU 29 CO 0.06 0.47 0.00 1.33 0.09 0.00 0.00 178.44 180.39 3i1g n VAL 30 N -4.69 0.01 -0.58 1.22 0.24 -0.81 -4.93 118.33 108.78 3i1g n VAL 30 Ca 0.04 -0.19 0.00 0.00 -2.04 0.00 0.00 64.34 62.15 3i1g n VAL 30 Cb 0.02 0.22 0.00 0.00 -1.47 0.00 0.00 33.84 32.61 3i1g n VAL 30 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i1g n GLY 31 N 1.12 0.75 0.00 7.63 0.00 -0.62 -5.08 105.19 108.99 3i1g n GLY 31 Ca 0.20 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.36 3i1g n GLY 31 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11