#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k6i n GLY 2 N 0.00 5.64 3.36 -5.12 0.00 -1.26 -5.17 105.19 102.64 2k6i n GLY 2 Ca 0.00 -0.98 -0.28 0.00 0.00 0.00 0.00 46.02 44.76 2k6i n GLY 2 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2k6i s VAL 3 N 2.15 2.10 -1.08 1.61 -7.23 -1.26 -5.08 120.40 111.62 2k6i s VAL 3 Ca 0.00 -1.64 -0.15 0.00 -1.81 0.00 0.00 61.98 58.38 2k6i s VAL 3 Cb 0.00 -1.86 0.18 0.00 0.56 0.00 0.00 36.38 35.26 2k6i s VAL 3 CO 0.00 0.10 1.24 -0.94 -0.31 0.00 0.00 175.10 175.19 2k6i s SER 4 N -1.89 6.94 -0.17 4.85 1.04 -1.26 -4.73 113.70 118.49 2k6i s SER 4 Ca 0.12 -2.76 0.14 0.00 0.48 0.00 0.00 55.95 53.92 2k6i s SER 4 Cb -0.10 -2.36 0.38 0.00 0.10 0.00 0.00 66.02 64.04 2k6i s SER 4 CO 0.05 -0.77 1.19 1.33 0.98 0.00 0.00 173.24 176.03 2k6i n VAL 5 N 4.57 1.93 0.14 5.02 0.24 -1.26 -4.76 118.33 124.22 2k6i n VAL 5 Ca 0.29 -2.77 0.16 0.00 -2.04 0.00 0.00 64.34 59.98 2k6i n VAL 5 Cb 0.45 -0.14 0.73 0.00 -1.47 0.00 0.00 33.84 33.41 2k6i n VAL 5 CO 0.00 0.00 0.00 0.24 -2.14 0.00 0.00 176.83 174.93 2k6i h MET 6 N 0.72 0.00 0.00 7.34 2.86 -1.92 0.08 114.93 124.02 2k6i h MET 6 Ca -0.02 0.00 -0.37 0.00 -2.06 0.00 0.00 59.70 57.25 2k6i h MET 6 Cb 1.07 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.66 2k6i h MET 6 CO 0.01 0.00 -2.36 -1.91 1.06 0.00 0.00 176.91 173.70 2k6i n GLU 7 N -4.18 0.68 0.03 1.72 2.13 -1.25 -3.99 120.64 115.77 2k6i n GLU 7 Ca 0.03 0.06 -0.12 0.00 0.66 0.00 0.00 57.16 57.79 2k6i n GLU 7 Cb 0.37 -1.54 -0.08 0.00 0.27 0.00 0.00 31.44 30.46 2k6i n GLU 7 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2k6i h ALA 8 N 0.71 -0.03 -0.23 4.31 0.00 -1.72 -2.85 119.26 119.45 2k6i h ALA 8 Ca -0.54 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.25 2k6i h ALA 8 Cb 2.14 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.93 2k6i h ALA 8 CO 0.00 -0.43 0.02 0.82 0.00 0.00 0.00 179.25 179.66 2k6i h ILE 9 N -0.21 1.13 -2.17 0.00 1.08 -1.23 -3.43 117.51 112.69 2k6i h ILE 9 Ca -0.00 -0.51 -0.03 0.00 -0.39 0.00 0.00 64.86 63.93 2k6i h ILE 9 Cb 0.20 0.95 -0.22 0.00 -3.07 0.00 0.00 36.82 34.67 2k6i h ILE 9 CO 0.01 0.17 -0.03 -0.54 -0.69 0.00 0.00 178.15 177.06 2k6i s LYS 10 N -5.02 0.66 -0.37 2.37 -0.14 -1.08 -5.03 119.74 111.13 2k6i s LYS 10 Ca -0.06 1.06 0.03 0.00 -1.36 0.00 0.00 55.97 55.64 2k6i s LYS 10 Cb 0.16 0.17 0.55 0.00 -1.68 0.00 0.00 37.83 37.02 2k6i s LYS 10 CO 0.73 -0.14 1.75 -1.91 -0.76 0.00 0.00 175.35 175.02 2k6i n GLU 11 N 3.91 2.02 0.19 1.68 2.13 -1.19 -3.95 120.64 125.43 2k6i n GLU 11 Ca -0.19 -2.46 0.07 0.00 0.66 0.00 0.00 57.16 55.24 2k6i n GLU 11 Cb 0.57 -1.96 0.26 0.00 0.27 0.00 0.00 31.44 30.58 2k6i n GLU 11 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2k6i h VAL 12 N 0.82 0.67 -3.56 6.31 2.07 -1.89 -3.47 116.25 117.19 2k6i h VAL 12 Ca 0.52 -1.58 -0.40 0.00 0.82 0.00 0.00 66.70 66.07 2k6i h VAL 12 Cb 2.53 2.05 0.00 0.00 -1.52 0.00 0.00 31.29 34.35 2k6i h VAL 12 CO 0.91 0.33 -0.53 0.29 0.02 0.00 0.00 177.57 178.58 2k6i n LYS 13 N -3.32 -2.65 -0.17 1.57 4.76 -1.26 -4.83 118.16 112.26 2k6i n LYS 13 Ca 0.01 0.93 0.25 0.00 -2.87 0.00 0.00 58.31 56.63 2k6i n LYS 13 Cb 0.56 -5.64 0.67 0.00 -1.84 0.00 0.00 35.03 28.78 2k6i n LYS 13 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 2k6i h LEU 14 N -0.40 0.10 -1.23 -0.35 3.38 -1.92 0.83 115.31 115.72 2k6i h LEU 14 Ca -0.48 0.01 0.16 0.00 0.09 0.00 0.00 57.88 57.66 2k6i h LEU 14 Cb 1.35 -0.01 -0.08 0.00 0.09 0.00 0.00 40.66 42.01 2k6i h LEU 14 CO 0.56 0.04 0.59 0.00 0.09 0.00 0.00 178.44 179.72 2k6i h ALA 15 N 1.59 1.82 -0.46 1.53 0.00 -1.97 0.10 119.26 121.88 2k6i h ALA 15 Ca 0.41 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.41 2k6i h ALA 15 Cb 1.48 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.13 2k6i h ALA 15 CO -0.05 -0.09 0.31 0.93 0.00 0.00 0.00 179.25 180.35 2k6i h GLU 16 N 0.70 0.38 -0.11 0.00 4.39 -1.20 -0.21 114.58 118.54 2k6i h GLU 16 Ca 0.48 -0.02 0.03 0.00 0.34 0.00 0.00 59.36 60.19 2k6i h GLU 16 Cb 0.79 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 29.35 2k6i h GLU 16 CO -0.24 0.25 0.11 1.49 -1.16 0.00 0.00 179.01 179.46 2k6i h GLU 17 N 0.39 0.00 0.00 2.33 4.81 -0.91 0.44 114.58 121.64 2k6i h GLU 17 Ca 0.20 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 59.26 2k6i h GLU 17 Cb 0.29 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 2k6i h GLU 17 CO -0.05 0.00 -0.82 1.96 -0.73 0.00 0.00 179.01 179.37 2k6i h GLN 18 N 0.00 0.00 0.00 1.92 4.20 -1.11 -1.72 115.11 118.40 2k6i h GLN 18 Ca 0.05 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.58 2k6i h GLN 18 Cb 0.28 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.03 2k6i h GLN 18 CO -0.00 0.82 -0.88 0.00 -0.67 0.00 0.00 178.83 178.10 2k6i h ALA 19 N 1.18 0.50 0.08 3.87 0.00 -0.96 -2.14 119.26 121.79 2k6i h ALA 19 Ca -0.01 -0.80 -0.28 0.00 0.00 0.00 0.00 54.91 53.82 2k6i h ALA 19 Cb 1.52 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 2k6i h ALA 19 CO 0.11 1.10 -1.45 -0.39 0.00 0.00 0.00 179.25 178.62 2k6i h VAL 20 N 0.00 1.22 0.00 0.00 -1.51 -1.37 -2.96 116.25 111.64 2k6i h VAL 20 Ca -0.01 -2.91 -0.15 0.00 -1.23 0.00 0.00 66.70 62.41 2k6i h VAL 20 Cb 1.60 2.73 -0.02 0.00 -2.13 0.00 0.00 31.29 33.47 2k6i h VAL 20 CO 0.11 0.80 -0.70 0.50 -1.23 0.00 0.00 177.57 177.06 2k6i h LYS 21 N 0.05 0.00 0.07 5.19 1.63 -1.38 0.09 116.57 122.22 2k6i h LYS 21 Ca -0.20 0.00 -0.25 0.00 -0.85 0.00 0.00 60.65 59.35 2k6i h LYS 21 Cb 1.97 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 33.59 2k6i h LYS 21 CO 0.14 0.70 -1.11 1.05 -3.45 0.00 0.00 179.45 176.78 2k6i h GLU 22 N 0.00 0.24 0.05 1.90 4.11 -1.49 -3.23 114.58 116.16 2k6i h GLU 22 Ca -0.01 -0.36 -0.28 0.00 0.07 0.00 0.00 59.36 58.78 2k6i h GLU 22 Cb 1.41 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 30.76 2k6i h GLU 22 CO 0.09 1.13 -1.50 -0.84 0.07 0.00 0.00 179.01 177.96 2k6i h ILE 23 N 0.09 1.13 -0.50 -1.06 -0.00 -1.54 -3.36 117.51 112.28 2k6i h ILE 23 Ca -0.09 -2.88 0.05 0.00 -0.00 0.00 0.00 64.86 61.94 2k6i h ILE 23 Cb 1.81 2.63 -0.05 0.00 -0.00 0.00 0.00 36.82 41.22 2k6i h ILE 23 CO 0.18 0.73 0.23 -0.08 -0.00 0.00 0.00 178.15 179.21 2k6i h GLU 24 N 0.03 0.44 -0.85 0.16 4.57 -1.07 -1.26 114.58 116.61 2k6i h GLU 24 Ca -0.22 -0.03 0.19 0.00 -1.18 0.00 0.00 59.36 58.13 2k6i h GLU 24 Cb 1.96 -0.10 -0.06 0.00 -0.16 0.00 0.00 28.75 30.39 2k6i h GLU 24 CO 0.12 0.29 0.57 1.49 -1.18 0.00 0.00 179.01 180.30 2k6i h GLU 25 N 0.46 0.33 -0.98 1.92 4.57 -1.70 0.52 114.58 119.70 2k6i h GLU 25 Ca 0.22 -0.02 0.08 0.00 -1.18 0.00 0.00 59.36 58.46 2k6i h GLU 25 Cb 0.16 -0.08 -0.07 0.00 -0.16 0.00 0.00 28.75 28.60 2k6i h GLU 25 CO -0.17 0.22 0.62 0.00 -1.18 0.00 0.00 179.01 178.50 2k6i h ALA 26 N 1.62 1.39 0.05 2.92 0.00 -1.39 -0.84 119.26 123.01 2k6i h ALA 26 Ca 0.43 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 55.14 2k6i h ALA 26 Cb 1.14 -0.27 0.02 0.00 0.00 0.00 0.00 17.79 18.69 2k6i h ALA 26 CO -0.14 0.36 -0.79 -0.22 0.00 0.00 0.00 179.25 178.46 2k6i h LYS 27 N 1.09 0.44 -0.43 0.00 3.11 -0.97 -3.28 116.57 116.54 2k6i h LYS 27 Ca 0.44 -0.55 0.08 0.00 -2.81 0.00 0.00 60.65 57.81 2k6i h LYS 27 Cb 0.26 0.17 -0.06 0.00 -1.00 0.00 0.00 32.23 31.59 2k6i h LYS 27 CO -0.20 1.20 0.04 -0.91 -2.81 0.00 0.00 179.45 176.77 2k6i h ASN 28 N -0.07 -0.10 -0.06 4.20 -0.26 -0.95 0.16 115.58 118.51 2k6i h ASN 28 Ca -0.11 0.09 0.02 0.00 -0.56 0.00 0.00 56.30 55.73 2k6i h ASN 28 Cb 1.52 0.14 -0.00 0.00 -1.06 0.00 0.00 38.32 38.92 2k6i h ASN 28 CO 0.15 -0.01 0.13 0.03 -1.06 0.00 0.00 177.43 176.66 2k6i h ARG 29 N 0.15 0.00 -0.01 0.81 2.47 -1.26 0.49 114.38 117.04 2k6i h ARG 29 Ca 0.21 0.00 -0.17 0.00 -1.26 0.00 0.00 59.98 58.76 2k6i h ARG 29 Cb 0.29 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.59 2k6i h ARG 29 CO -0.32 0.00 -0.78 0.00 0.56 0.00 0.00 179.97 179.43 2k6i h ALA 30 N 1.80 0.68 0.00 0.04 0.00 -0.74 -3.12 119.26 117.92 2k6i h ALA 30 Ca 0.03 -0.68 -0.06 0.00 0.00 0.00 0.00 54.91 54.20 2k6i h ALA 30 Cb 0.28 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2k6i h ALA 30 CO -0.00 0.90 -0.29 1.05 0.00 0.00 0.00 179.25 180.91 2k6i h GLU 31 N 0.07 0.00 -0.20 0.00 -0.00 -0.70 -3.18 114.58 110.57 2k6i h GLU 31 Ca -0.02 0.00 0.06 0.00 -0.00 0.00 0.00 59.36 59.40 2k6i h GLU 31 Cb 1.37 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 30.11 2k6i h GLU 31 CO 0.11 0.29 0.20 1.96 -0.00 0.00 0.00 179.01 181.57 2k6i h GLN 32 N 0.00 0.00 0.00 1.06 1.08 -1.42 0.22 115.11 116.06 2k6i h GLN 32 Ca -0.00 0.00 -0.24 0.00 -1.45 0.00 0.00 58.65 56.95 2k6i h GLN 32 Cb 1.11 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.50 2k6i h GLN 32 CO 0.04 0.00 -1.34 -0.89 -0.95 0.00 0.00 178.83 175.69 2k6i n ILE 33 N -3.94 1.53 0.29 2.54 -0.00 -1.20 -4.17 119.36 114.41 2k6i n ILE 33 Ca 0.02 -0.05 0.13 0.00 -0.00 0.00 0.00 62.75 62.86 2k6i n ILE 33 Cb 0.33 -2.04 0.84 0.00 -0.00 0.00 0.00 39.64 38.77 2k6i n ILE 33 CO 0.00 0.00 0.00 0.11 -0.00 0.00 0.00 176.55 176.66 2k6i h LYS 34 N -1.00 0.00 -0.31 0.38 1.57 -1.51 -1.44 116.57 114.26 2k6i h LYS 34 Ca -0.37 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.49 2k6i h LYS 34 Cb 1.31 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.61 2k6i h LYS 34 CO -0.22 0.00 0.22 0.00 -0.57 0.00 0.00 179.45 178.88 2k6i h ALA 35 N 2.00 2.21 -0.87 3.86 0.00 -0.72 -1.24 119.26 124.50 2k6i h ALA 35 Ca -0.00 -0.01 0.18 0.00 0.00 0.00 0.00 54.91 55.08 2k6i h ALA 35 Cb 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 2k6i h ALA 35 CO 0.00 -0.30 0.57 0.93 0.00 0.00 0.00 179.25 180.46 2k6i h GLU 36 N 0.06 0.44 -0.03 0.00 5.08 -1.46 0.32 114.58 119.00 2k6i h GLU 36 Ca 0.15 -0.03 -0.11 0.00 -1.00 0.00 0.00 59.36 58.37 2k6i h GLU 36 Cb 0.51 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 2k6i h GLU 36 CO -0.01 0.29 -0.51 0.00 -1.00 0.00 0.00 179.01 177.78 2k6i h ALA 37 N 1.62 1.09 0.00 3.43 0.00 -1.41 -2.96 119.26 121.03 2k6i h ALA 37 Ca 0.45 -0.47 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 2k6i h ALA 37 Cb 1.02 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 2k6i h ALA 37 CO -0.17 0.65 -0.75 0.82 0.00 0.00 0.00 179.25 179.80 2k6i h ILE 38 N 0.07 0.38 -0.01 0.00 5.03 -0.61 -3.29 117.51 119.08 2k6i h ILE 38 Ca -0.00 -1.61 0.00 0.00 -0.12 0.00 0.00 64.86 63.13 2k6i h ILE 38 Cb 0.93 2.01 -0.00 0.00 -3.03 0.00 0.00 36.82 36.73 2k6i h ILE 38 CO 0.07 0.22 0.10 -0.33 -0.68 0.00 0.00 178.15 177.53 2k6i h GLU 39 N 0.00 0.00 0.03 2.37 5.08 -0.48 -0.95 114.58 120.63 2k6i h GLU 39 Ca -0.04 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.06 2k6i h GLU 39 Cb 1.26 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.54 2k6i h GLU 39 CO 0.03 0.00 -1.01 1.49 -1.00 0.00 0.00 179.01 178.52 2k6i h GLU 40 N 0.00 0.64 -0.28 2.33 4.81 -1.68 -3.19 114.58 117.21 2k6i h GLU 40 Ca 0.01 -0.72 0.08 0.00 -0.13 0.00 0.00 59.36 58.59 2k6i h GLU 40 Cb 0.21 0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 2k6i h GLU 40 CO -0.00 1.31 0.28 0.00 -0.73 0.00 0.00 179.01 179.86 2k6i h ALA 41 N 0.36 1.98 -0.37 2.92 0.00 -1.37 -1.39 119.26 121.39 2k6i h ALA 41 Ca -0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2k6i h ALA 41 Cb 1.68 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.48 2k6i h ALA 41 CO 0.20 -0.42 0.24 0.87 0.00 0.00 0.00 179.25 180.14 2k6i h LYS 42 N 0.00 0.49 -0.90 0.00 1.79 -1.56 -2.11 116.57 114.28 2k6i h LYS 42 Ca 0.13 -0.03 0.10 0.00 -2.18 0.00 0.00 60.65 58.67 2k6i h LYS 42 Cb 0.69 -0.11 -0.08 0.00 -1.58 0.00 0.00 32.23 31.15 2k6i h LYS 42 CO -0.00 0.33 0.54 0.87 -1.08 0.00 0.00 179.45 180.12 2k6i h LYS 43 N 0.50 0.88 -2.57 3.15 1.79 -1.40 -3.37 116.57 115.55 2k6i h LYS 43 Ca 0.14 -0.05 -0.48 0.00 -2.18 0.00 0.00 60.65 58.07 2k6i h LYS 43 Cb -0.05 -0.20 -0.38 0.00 -1.58 0.00 0.00 32.23 30.02 2k6i h LYS 43 CO -0.03 0.58 -0.75 -1.17 -1.08 0.00 0.00 179.45 177.01 2k6i s LEU 44 N -10.24 0.38 -0.05 2.94 0.20 -0.95 -5.13 118.68 105.83 2k6i s LEU 44 Ca -0.12 -1.28 0.05 0.00 0.69 0.00 0.00 54.13 53.46 2k6i s LEU 44 Cb 0.20 -0.11 -0.02 0.00 -0.43 0.00 0.00 46.19 45.83 2k6i s LEU 44 CO 0.79 -0.40 -0.19 -0.51 -0.29 0.00 0.00 176.35 175.75 2k6i s ILE 45 N 2.01 2.64 -0.78 6.68 1.10 -0.84 -4.69 121.20 127.33 2k6i s ILE 45 Ca 0.11 -0.88 -0.26 0.00 -0.51 0.00 0.00 60.65 59.11 2k6i s ILE 45 Cb -0.16 -2.00 0.02 0.00 0.15 0.00 0.00 42.46 40.47 2k6i s ILE 45 CO -0.30 0.58 1.44 0.00 -2.11 0.00 0.00 174.94 174.55 2k6i s ALA 46 N -0.56 2.59 -2.00 1.50 0.00 -1.26 -5.11 121.76 116.91 2k6i s ALA 46 Ca 0.08 -1.43 0.27 0.00 0.00 0.00 0.00 51.96 50.87 2k6i s ALA 46 Cb -0.11 -4.33 1.58 0.00 0.00 0.00 0.00 23.12 20.26 2k6i s ALA 46 CO 0.01 -3.53 1.93 0.00 0.00 0.00 0.00 175.76 174.17