#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 4.58 0.30 -5.12 0.00 -1.26 -4.58 105.19 99.10 2k6i n GLY 2 Ca 0.00 -1.12 0.08 0.00 0.00 0.00 0.00 46.02 44.98 2k6i n GLY 2 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2k6i h VAL 3 N 1.06 1.00 -5.68 1.61 -1.51 -2.12 -3.46 116.25 107.14 2k6i h VAL 3 Ca 0.52 -0.08 -0.32 0.00 -1.23 0.00 0.00 66.70 65.58 2k6i h VAL 3 Cb 2.55 0.73 0.16 0.00 -2.13 0.00 0.00 31.29 32.59 2k6i h VAL 3 CO 0.91 0.05 -0.82 -1.20 -1.23 0.00 0.00 177.57 175.27 2k6i n SER 4 N -4.49 -3.86 -2.19 4.19 7.64 -1.26 -4.90 113.62 108.74 2k6i n SER 4 Ca 0.02 -0.71 -0.23 0.00 1.01 0.00 0.00 58.87 58.96 2k6i n SER 4 Cb 0.17 -4.88 0.17 0.00 -1.01 0.00 0.00 64.21 58.66 2k6i n SER 4 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 2k6i n VAL 5 N -3.82 3.15 0.25 0.44 0.24 -1.26 -4.49 118.33 112.83 2k6i n VAL 5 Ca -0.20 -1.87 0.10 0.00 -2.04 0.00 0.00 64.34 60.34 2k6i n VAL 5 Cb 0.65 -0.49 0.64 0.00 -1.47 0.00 0.00 33.84 33.17 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 0.97 0.00 0.00 7.34 0.00 -1.97 -2.29 114.93 118.98 2k6i h MET 6 Ca 0.62 0.00 -0.19 0.00 0.00 0.00 0.00 59.70 60.13 2k6i h MET 6 Cb 2.82 0.00 -0.04 0.00 0.00 0.00 0.00 31.60 34.38 2k6i h MET 6 CO 1.08 0.16 -2.01 -1.91 0.00 0.00 0.00 176.91 174.22 2k6i n GLU 7 N -3.79 1.02 0.16 1.72 2.13 -1.26 -3.63 120.64 116.99 2k6i n GLU 7 Ca -0.02 -0.07 -0.14 0.00 0.66 0.00 0.00 57.16 57.60 2k6i n GLU 7 Cb 0.26 -1.42 -0.08 0.00 0.27 0.00 0.00 31.44 30.47 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 1.11 -0.40 0.00 4.31 0.00 -1.80 -3.22 119.26 119.27 2k6i h ALA 8 Ca -0.28 -0.17 -0.17 0.00 0.00 0.00 0.00 54.91 54.29 2k6i h ALA 8 Cb 1.57 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.49 2k6i h ALA 8 CO 0.02 -0.59 -0.80 0.82 0.00 0.00 0.00 179.25 178.70 2k6i h ILE 9 N -0.67 1.50 -3.08 0.00 1.08 -1.66 -3.40 117.51 111.29 2k6i h ILE 9 Ca -0.04 -2.79 -0.73 0.00 -0.39 0.00 0.00 64.86 60.91 2k6i h ILE 9 Cb 0.47 2.53 -0.21 0.00 -3.07 0.00 0.00 36.82 36.54 2k6i h ILE 9 CO 0.07 0.78 0.26 -0.75 -0.69 0.00 0.00 178.15 177.81 2k6i s LYS 10 N -3.07 3.34 -0.81 2.37 2.20 -1.21 -4.98 119.74 117.58 2k6i s LYS 10 Ca 0.01 -1.80 -0.05 0.00 -0.36 0.00 0.00 55.97 53.76 2k6i s LYS 10 Cb 0.11 -4.47 0.21 0.00 -1.51 0.00 0.00 37.83 32.16 2k6i s LYS 10 CO 0.79 -1.51 0.70 -1.83 -0.36 0.00 0.00 175.35 173.14 2k6i s GLU 11 N 1.84 3.20 0.97 4.03 1.03 -1.26 -4.56 118.70 123.95 2k6i s GLU 11 Ca 0.18 -2.86 -0.11 0.00 0.03 0.00 0.00 54.97 52.21 2k6i s GLU 11 Cb -0.16 -4.03 0.18 0.00 -0.80 0.00 0.00 34.13 29.31 2k6i s GLU 11 CO -0.02 -1.24 1.12 0.14 -1.33 0.00 0.00 175.26 173.93 2k6i s VAL 12 N -0.61 2.06 -0.21 1.83 -7.23 -1.26 -4.96 120.40 110.02 2k6i s VAL 12 Ca 0.22 0.02 0.13 0.00 -1.81 0.00 0.00 61.98 60.54 2k6i s VAL 12 Cb -0.13 -2.05 0.42 0.00 0.56 0.00 0.00 36.38 35.19 2k6i s VAL 12 CO -0.08 -0.02 1.28 0.29 -0.31 0.00 0.00 175.10 176.25 2k6i n LYS 13 N -4.39 1.69 0.00 4.82 5.02 -1.26 -4.83 118.16 119.21 2k6i n LYS 13 Ca 0.10 -3.06 0.00 0.00 -2.02 0.00 0.00 58.31 53.33 2k6i n LYS 13 Cb 0.52 -1.66 0.00 0.00 -0.02 0.00 0.00 35.03 33.88 2k6i n LYS 13 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2k6i n LEU 14 N -1.14 0.36 -2.13 -0.35 4.32 -1.26 -4.86 117.00 111.93 2k6i n LEU 14 Ca 0.22 0.65 -0.15 0.00 -0.02 0.00 0.00 56.01 56.70 2k6i n LEU 14 Cb 0.78 -0.29 -0.02 0.00 -1.62 0.00 0.00 43.42 42.27 2k6i n LEU 14 CO 0.04 -0.29 -0.18 0.00 -1.22 0.00 0.00 177.39 175.75 2k6i n ALA 15 N -1.36 -0.58 0.11 -1.18 0.00 -1.26 -4.82 120.51 111.41 2k6i n ALA 15 Ca 0.00 0.16 -0.03 0.00 0.00 0.00 0.00 53.44 53.57 2k6i n ALA 15 Cb 0.00 -1.67 0.06 0.00 0.00 0.00 0.00 19.45 17.84 2k6i n ALA 15 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2k6i h GLU 16 N 0.00 0.00 0.00 0.00 5.08 -2.02 -3.13 114.58 114.51 2k6i h GLU 16 Ca -0.34 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.00 2k6i h GLU 16 Cb 1.18 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.43 2k6i h GLU 16 CO 0.43 0.75 -0.08 1.49 -1.00 0.00 0.00 179.01 180.60 2k6i h GLU 17 N 0.00 0.00 -0.78 2.33 4.81 -2.02 -2.09 114.58 116.82 2k6i h GLU 17 Ca -0.01 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.26 2k6i h GLU 17 Cb 1.36 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.70 2k6i h GLU 17 CO 0.10 0.08 0.51 1.96 -0.73 0.00 0.00 179.01 180.93 2k6i h GLN 18 N 0.00 0.90 -0.65 1.92 1.08 -1.94 -1.55 115.11 114.87 2k6i h GLN 18 Ca -0.00 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.14 2k6i h GLN 18 Cb 0.16 -0.20 -0.03 0.00 -0.05 0.00 0.00 27.48 27.35 2k6i h GLN 18 CO 0.01 0.59 0.38 0.00 -0.95 0.00 0.00 178.83 178.87 2k6i h ALA 19 N 1.55 1.45 -0.84 3.87 0.00 -1.55 -2.09 119.26 121.66 2k6i h ALA 19 Ca 0.32 -0.08 0.16 0.00 0.00 0.00 0.00 54.91 55.30 2k6i h ALA 19 Cb 0.09 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 17.56 2k6i h ALA 19 CO -0.10 0.47 0.55 0.28 0.00 0.00 0.00 179.25 180.45 2k6i h VAL 20 N 0.89 0.79 -0.05 0.00 2.07 -1.36 0.18 116.25 118.77 2k6i h VAL 20 Ca 0.23 -0.18 -0.18 0.00 0.82 0.00 0.00 66.70 67.40 2k6i h VAL 20 Cb -0.02 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 29.96 2k6i h VAL 20 CO -0.04 0.10 -0.74 0.50 0.02 0.00 0.00 177.57 177.40 2k6i h LYS 21 N 0.53 0.28 0.13 1.57 1.63 -1.43 -2.14 116.57 117.14 2k6i h LYS 21 Ca 0.42 -0.24 -0.01 0.00 -0.85 0.00 0.00 60.65 59.97 2k6i h LYS 21 Cb 0.85 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.54 2k6i h LYS 21 CO -0.17 0.90 -0.06 1.49 -3.45 0.00 0.00 179.45 178.17 2k6i h GLU 22 N 0.19 -0.17 -0.26 1.90 4.81 -0.79 -2.14 114.58 118.12 2k6i h GLU 22 Ca -0.03 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2k6i h GLU 22 Cb 1.31 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.72 2k6i h GLU 22 CO 0.12 0.31 0.17 -0.84 -0.73 0.00 0.00 179.01 178.04 2k6i h ILE 23 N -0.83 1.07 -0.18 2.32 -0.00 -0.86 -2.38 117.51 116.65 2k6i h ILE 23 Ca -0.02 -0.13 -0.10 0.00 -0.00 0.00 0.00 64.86 64.62 2k6i h ILE 23 Cb 0.55 0.68 -0.00 0.00 -0.00 0.00 0.00 36.82 38.05 2k6i h ILE 23 CO 0.03 0.07 -0.26 -0.08 -0.00 0.00 0.00 178.15 177.90 2k6i h GLU 24 N 0.36 0.50 -0.84 0.16 4.81 -1.42 -2.45 114.58 115.69 2k6i h GLU 24 Ca 0.10 -0.29 0.13 0.00 -0.13 0.00 0.00 59.36 59.16 2k6i h GLU 24 Cb -0.04 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.30 2k6i h GLU 24 CO -0.02 0.89 0.55 1.49 -0.73 0.00 0.00 179.01 181.18 2k6i h GLU 25 N 0.15 0.66 -0.04 1.92 4.81 -0.87 0.24 114.58 121.45 2k6i h GLU 25 Ca 0.02 -0.04 -0.21 0.00 -0.13 0.00 0.00 59.36 59.00 2k6i h GLU 25 Cb 0.83 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 30.06 2k6i h GLU 25 CO 0.06 0.44 -0.84 0.00 -0.73 0.00 0.00 179.01 177.94 2k6i h ALA 26 N 1.60 0.47 0.00 2.92 0.00 -1.44 -3.15 119.26 119.67 2k6i h ALA 26 Ca 0.41 -0.66 -0.10 0.00 0.00 0.00 0.00 54.91 54.56 2k6i h ALA 26 Cb 0.64 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2k6i h ALA 26 CO -0.17 0.79 -0.46 0.87 0.00 0.00 0.00 179.25 180.28 2k6i h LYS 27 N 0.25 0.00 0.51 0.00 1.57 -0.63 -2.82 116.57 115.46 2k6i h LYS 27 Ca -0.06 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 2k6i h LYS 27 Cb 1.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.76 2k6i h LYS 27 CO 0.14 0.46 -0.24 -0.91 -0.57 0.00 0.00 179.45 178.33 2k6i h ASN 28 N 0.00 -0.57 0.13 0.86 -0.26 -0.56 -1.74 115.58 113.45 2k6i h ASN 28 Ca -0.00 -0.07 -0.02 0.00 -0.56 0.00 0.00 56.30 55.65 2k6i h ASN 28 Cb 1.06 0.15 -0.00 0.00 -1.06 0.00 0.00 38.32 38.46 2k6i h ASN 28 CO 0.06 -0.23 -0.10 0.08 -1.06 0.00 0.00 177.43 176.18 2k6i h ARG 29 N -0.96 0.00 -0.41 0.81 -0.00 -1.62 -2.15 114.38 110.05 2k6i h ARG 29 Ca -0.07 0.00 -0.15 0.00 -0.00 0.00 0.00 59.98 59.76 2k6i h ARG 29 Cb 0.61 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.57 2k6i h ARG 29 CO 0.11 0.10 -0.33 0.00 -0.00 0.00 0.00 179.97 179.85 2k6i h ALA 30 N 1.90 0.63 0.00 0.08 0.00 -1.38 -2.94 119.26 117.55 2k6i h ALA 30 Ca -0.00 -0.43 -0.07 0.00 0.00 0.00 0.00 54.91 54.40 2k6i h ALA 30 Cb 0.19 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2k6i h ALA 30 CO 0.01 0.68 -0.34 0.93 0.00 0.00 0.00 179.25 180.52 2k6i h GLU 31 N 0.78 0.00 0.00 0.00 4.39 -0.69 -2.81 114.58 116.25 2k6i h GLU 31 Ca 0.08 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.75 2k6i h GLU 31 Cb 0.91 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.56 2k6i h GLU 31 CO 0.08 0.34 -0.14 0.37 -1.16 0.00 0.00 179.01 178.51 2k6i h GLN 32 N 0.00 0.00 0.00 2.33 5.75 -1.26 0.16 115.11 122.10 2k6i h GLN 32 Ca -0.00 0.00 -0.13 0.00 -0.15 0.00 0.00 58.65 58.37 2k6i h GLN 32 Cb 0.84 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.37 2k6i h GLN 32 CO 0.04 0.14 -0.70 0.82 -2.65 0.00 0.00 178.83 176.48 2k6i h ILE 33 N 0.00 1.27 0.00 2.39 2.04 -1.52 -3.35 117.51 118.34 2k6i h ILE 33 Ca -0.00 -2.23 -0.04 0.00 1.00 0.00 0.00 64.86 63.60 2k6i h ILE 33 Cb 0.33 2.68 -0.01 0.00 -0.74 0.00 0.00 36.82 39.09 2k6i h ILE 33 CO 0.02 0.43 -0.17 0.11 0.00 0.00 0.00 178.15 178.54 2k6i h LYS 34 N -1.00 0.00 -0.56 2.37 6.56 -1.45 -2.55 116.57 119.94 2k6i h LYS 34 Ca -0.19 0.00 0.16 0.00 -1.06 0.00 0.00 60.65 59.56 2k6i h LYS 34 Cb 1.16 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.79 2k6i h LYS 34 CO -0.12 0.17 0.40 0.00 -2.06 0.00 0.00 179.45 177.84 2k6i h ALA 35 N 1.83 2.53 -0.02 3.86 0.00 -0.81 0.15 119.26 126.80 2k6i h ALA 35 Ca -0.00 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.89 2k6i h ALA 35 Cb 0.42 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 2k6i h ALA 35 CO 0.02 -0.69 0.02 0.93 0.00 0.00 0.00 179.25 179.52 2k6i h GLU 36 N 0.00 0.00 0.00 0.00 5.08 -1.64 0.16 114.58 118.18 2k6i h GLU 36 Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 2k6i h GLU 36 Cb 1.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.32 2k6i h GLU 36 CO -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.01 2k6i n ALA 37 N -2.45 2.28 -0.03 3.43 0.00 0.52 -3.35 120.51 120.91 2k6i n ALA 37 Ca -0.03 -0.05 0.05 0.00 0.00 0.00 0.00 53.44 53.41 2k6i n ALA 37 Cb 0.11 -1.46 -0.14 0.00 0.00 0.00 0.00 19.45 17.95 2k6i n ALA 37 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2k6i n ILE 38 N -1.95 0.30 0.30 0.00 -0.00 0.37 -4.34 119.36 114.04 2k6i n ILE 38 Ca 0.06 -0.50 0.19 0.00 -0.00 0.00 0.00 62.75 62.50 2k6i n ILE 38 Cb 0.39 -0.08 0.97 0.00 -0.00 0.00 0.00 39.64 40.92 2k6i n ILE 38 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 176.55 177.60 2k6i h GLU 39 N 0.00 0.00 0.02 0.38 4.11 -1.04 -0.46 114.58 117.59 2k6i h GLU 39 Ca -0.12 0.00 -0.26 0.00 0.07 0.00 0.00 59.36 59.05 2k6i h GLU 39 Cb 1.15 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.42 2k6i h GLU 39 CO 0.01 0.00 -1.03 1.49 0.07 0.00 0.00 179.01 179.55 2k6i h GLU 40 N 0.00 0.65 0.00 1.06 4.81 -1.76 -3.21 114.58 116.13 2k6i h GLU 40 Ca 0.03 -0.74 -0.02 0.00 -0.13 0.00 0.00 59.36 58.50 2k6i h GLU 40 Cb 0.38 0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.97 2k6i h GLU 40 CO -0.00 1.31 -0.12 0.00 -0.73 0.00 0.00 179.01 179.48 2k6i h ALA 41 N 0.36 1.69 0.00 2.92 0.00 -1.33 -0.89 119.26 122.01 2k6i h ALA 41 Ca -0.14 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2k6i h ALA 41 Cb 1.69 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.46 2k6i h ALA 41 CO 0.20 0.15 0.00 1.63 0.00 0.00 0.00 179.25 181.23 2k6i n LYS 42 N -4.23 0.11 0.05 0.00 4.01 -1.11 -2.75 118.16 114.24 2k6i n LYS 42 Ca -0.03 0.40 0.20 0.00 -0.51 0.00 0.00 58.31 58.37 2k6i n LYS 42 Cb 0.20 -1.73 0.73 0.00 -0.51 0.00 0.00 35.03 33.72 2k6i n LYS 42 CO 0.00 0.00 0.00 -0.22 -1.11 0.00 0.00 177.40 176.07 2k6i h LYS 43 N 0.00 0.00 -0.77 1.97 1.63 -1.27 0.24 116.57 118.37 2k6i h LYS 43 Ca 0.00 0.00 -0.41 0.00 -0.85 0.00 0.00 60.65 59.39 2k6i h LYS 43 Cb 0.26 0.00 -0.24 0.00 -0.60 0.00 0.00 32.23 31.65 2k6i h LYS 43 CO 0.00 0.00 0.38 1.47 -3.45 0.00 0.00 179.45 177.85 2k6i n LEU 44 N -4.05 5.86 -4.09 5.20 -0.00 -1.11 -4.94 117.00 113.86 2k6i n LEU 44 Ca 0.08 -3.74 -0.22 0.00 -0.00 0.00 0.00 56.01 52.13 2k6i n LEU 44 Cb 0.59 -0.77 -0.15 0.00 -0.00 0.00 0.00 43.42 43.09 2k6i n LEU 44 CO 0.32 1.18 -0.47 -0.63 -0.00 0.00 0.00 177.39 177.79 2k6i s ILE 45 N -3.40 1.05 0.40 1.47 1.09 0.85 -5.15 121.20 117.50 2k6i s ILE 45 Ca 0.53 -0.56 0.07 0.00 -1.10 0.00 0.00 60.65 59.59 2k6i s ILE 45 Cb 0.46 -0.88 -0.08 0.00 -1.06 0.00 0.00 42.46 40.90 2k6i s ILE 45 CO 0.06 0.30 0.00 0.00 -0.10 0.00 0.00 174.94 175.20 2k6i s ALA 46 N -0.26 3.16 -1.00 9.38 0.00 -1.26 -5.01 121.76 126.77 2k6i s ALA 46 Ca 0.04 -2.28 0.08 0.00 0.00 0.00 0.00 51.96 49.80 2k6i s ALA 46 Cb -0.06 0.13 0.06 0.00 0.00 0.00 0.00 23.12 23.26 2k6i s ALA 46 CO -0.00 -0.10 0.75 0.00 0.00 0.00 0.00 175.76 176.41