#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 2.35 0.12 3.17 0.00 -1.26 -5.03 105.19 104.55 2k6i n GLY 2 Ca 0.00 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.11 2k6i n GLY 2 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2k6i n VAL 3 N 1.66 0.00 -3.66 1.61 0.31 -1.26 -4.97 118.33 112.02 2k6i n VAL 3 Ca 0.00 0.31 -0.29 0.00 -0.01 0.00 0.00 64.34 64.34 2k6i n VAL 3 Cb 0.00 -1.28 -0.14 0.00 -0.91 0.00 0.00 33.84 31.51 2k6i n VAL 3 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 2k6i s SER 4 N -3.25 3.64 -0.46 4.52 0.01 -1.26 -4.98 113.70 111.92 2k6i s SER 4 Ca 0.00 -2.13 0.04 0.00 1.31 0.00 0.00 55.95 55.17 2k6i s SER 4 Cb 0.00 -0.81 0.43 0.00 0.21 0.00 0.00 66.02 65.85 2k6i s SER 4 CO 0.00 -0.34 1.40 1.33 0.41 0.00 0.00 173.24 176.04 2k6i n VAL 5 N 4.19 2.78 0.06 3.43 0.24 -1.26 -4.78 118.33 122.99 2k6i n VAL 5 Ca 0.05 -4.23 0.20 0.00 -2.04 0.00 0.00 64.34 58.32 2k6i n VAL 5 Cb 0.38 -1.19 0.74 0.00 -1.47 0.00 0.00 33.84 32.29 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 2.36 0.00 0.00 7.34 2.86 -1.93 -0.36 114.93 125.19 2k6i h MET 6 Ca 0.41 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.83 2k6i h MET 6 Cb 1.07 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.70 2k6i h MET 6 CO 1.00 0.00 -1.22 1.49 1.06 0.00 0.00 176.91 179.24 2k6i h GLU 7 N 0.00 0.00 -0.64 1.72 4.22 -1.86 -3.12 114.58 114.89 2k6i h GLU 7 Ca 0.21 0.00 0.19 0.00 0.08 0.00 0.00 59.36 59.84 2k6i h GLU 7 Cb 0.98 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.20 2k6i h GLU 7 CO -0.00 0.98 0.49 0.00 -2.18 0.00 0.00 179.01 178.30 2k6i h ALA 8 N -0.49 2.57 0.00 2.92 0.00 -1.80 0.14 119.26 122.60 2k6i h ALA 8 Ca -0.34 -0.02 -0.25 0.00 0.00 0.00 0.00 54.91 54.30 2k6i h ALA 8 Cb 1.28 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 19.08 2k6i h ALA 8 CO -0.20 -0.82 -1.37 0.82 0.00 0.00 0.00 179.25 177.67 2k6i h ILE 9 N 0.00 1.26 -1.31 0.00 2.04 -1.23 -3.48 117.51 114.79 2k6i h ILE 9 Ca 0.31 -3.04 0.13 0.00 1.00 0.00 0.00 64.86 63.26 2k6i h ILE 9 Cb 1.28 2.63 -0.30 0.00 -0.74 0.00 0.00 36.82 39.68 2k6i h ILE 9 CO -0.00 0.72 0.67 -1.59 0.00 0.00 0.00 178.15 177.95 2k6i s LYS 10 N -2.65 0.26 -0.06 2.37 -2.85 0.49 -5.11 119.74 112.19 2k6i s LYS 10 Ca -0.02 0.32 0.02 0.00 -1.00 0.00 0.00 55.97 55.29 2k6i s LYS 10 Cb 0.09 0.12 0.02 0.00 -2.06 0.00 0.00 37.83 35.99 2k6i s LYS 10 CO 0.82 -0.03 -0.09 -1.83 0.10 0.00 0.00 175.35 174.32 2k6i s GLU 11 N 0.26 1.34 0.36 1.78 4.04 -1.24 -3.78 118.70 121.45 2k6i s GLU 11 Ca 0.04 -0.28 0.04 0.00 0.04 0.00 0.00 54.97 54.81 2k6i s GLU 11 Cb -0.05 -1.19 -0.04 0.00 0.02 0.00 0.00 34.13 32.87 2k6i s GLU 11 CO -0.11 -0.04 0.12 0.14 -1.84 0.00 0.00 175.26 173.53 2k6i s VAL 12 N 0.85 0.64 -0.43 1.83 -7.23 -1.26 -5.05 120.40 109.75 2k6i s VAL 12 Ca -0.12 -2.00 0.23 0.00 -1.81 0.00 0.00 61.98 58.28 2k6i s VAL 12 Cb -0.15 -2.50 -0.13 0.00 0.56 0.00 0.00 36.38 34.16 2k6i s VAL 12 CO 0.01 0.00 0.92 0.29 -0.31 0.00 0.00 175.10 176.02 2k6i n LYS 13 N -0.76 0.42 0.00 4.82 4.76 -1.26 -4.58 118.16 121.56 2k6i n LYS 13 Ca -0.03 -0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.40 2k6i n LYS 13 Cb 0.65 -1.63 0.00 0.00 -1.84 0.00 0.00 35.03 32.22 2k6i n LYS 13 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2k6i n LEU 14 N -2.16 1.17 -2.36 -0.35 7.99 -1.26 -4.91 117.00 115.12 2k6i n LEU 14 Ca 0.00 0.31 -0.13 0.00 -0.01 0.00 0.00 56.01 56.18 2k6i n LEU 14 Cb 0.48 -0.30 -0.01 0.00 -0.11 0.00 0.00 43.42 43.48 2k6i n LEU 14 CO 0.41 -0.30 -0.16 0.00 -1.51 0.00 0.00 177.39 175.83 2k6i n ALA 15 N -1.41 -0.72 0.09 -1.18 0.00 -1.26 -4.82 120.51 111.21 2k6i n ALA 15 Ca 0.00 0.11 -0.06 0.00 0.00 0.00 0.00 53.44 53.49 2k6i n ALA 15 Cb 0.00 -1.55 0.01 0.00 0.00 0.00 0.00 19.45 17.92 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 0.08 0.00 0.00 5.08 -1.99 -3.13 114.58 114.63 2k6i h GLU 16 Ca -0.31 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 57.94 2k6i h GLU 16 Cb 1.20 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.47 2k6i h GLU 16 CO 0.37 0.87 -0.10 0.93 -1.00 0.00 0.00 179.01 180.08 2k6i h GLU 17 N 0.04 0.00 0.00 2.33 5.08 -2.00 -1.73 114.58 118.31 2k6i h GLU 17 Ca -0.02 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.29 2k6i h GLU 17 Cb 1.46 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.71 2k6i h GLU 17 CO 0.12 0.10 -0.23 0.37 -1.00 0.00 0.00 179.01 178.37 2k6i h GLN 18 N 0.00 0.00 0.04 2.33 -0.00 -1.93 0.88 115.11 116.42 2k6i h GLN 18 Ca -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2k6i h GLN 18 Cb 0.23 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.71 2k6i h GLN 18 CO 0.01 0.23 -0.02 0.00 0.00 0.00 0.00 178.83 179.05 2k6i h ALA 19 N 1.77 -0.05 -0.38 3.38 0.00 -1.47 -2.95 119.26 119.56 2k6i h ALA 19 Ca -0.00 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 2k6i h ALA 19 Cb 0.41 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2k6i h ALA 19 CO 0.03 -0.08 0.11 -0.39 0.00 0.00 0.00 179.25 178.92 2k6i h VAL 20 N -0.94 1.17 0.00 0.00 -1.51 -1.48 -1.73 116.25 111.75 2k6i h VAL 20 Ca -0.01 -0.57 -0.08 0.00 -1.23 0.00 0.00 66.70 64.82 2k6i h VAL 20 Cb 0.63 0.76 -0.01 0.00 -2.13 0.00 0.00 31.29 30.54 2k6i h VAL 20 CO 0.01 0.21 -0.39 0.11 -1.23 0.00 0.00 177.57 176.27 2k6i h LYS 21 N 0.54 0.00 0.17 5.19 1.79 -0.93 -0.92 116.57 122.41 2k6i h LYS 21 Ca 0.13 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.59 2k6i h LYS 21 Cb 0.18 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.83 2k6i h LYS 21 CO -0.01 0.39 -0.08 1.49 -1.08 0.00 0.00 179.45 180.16 2k6i h GLU 22 N 0.00 -0.22 -0.40 3.15 4.57 -1.15 -0.73 114.58 119.81 2k6i h GLU 22 Ca -0.00 0.01 0.03 0.00 -1.18 0.00 0.00 59.36 58.22 2k6i h GLU 22 Cb 0.72 0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 29.33 2k6i h GLU 22 CO 0.05 0.04 0.26 -0.84 -1.18 0.00 0.00 179.01 177.35 2k6i h ILE 23 N -1.01 1.04 0.18 2.32 -0.00 -1.42 0.50 117.51 119.11 2k6i h ILE 23 Ca -0.02 -0.15 -0.01 0.00 -0.00 0.00 0.00 64.86 64.68 2k6i h ILE 23 Cb 0.36 0.56 0.00 0.00 -0.00 0.00 0.00 36.82 37.74 2k6i h ILE 23 CO 0.04 0.08 -0.08 -0.08 -0.00 0.00 0.00 178.15 178.10 2k6i h GLU 24 N 0.44 -0.23 -0.28 0.16 4.81 -1.25 -2.08 114.58 116.15 2k6i h GLU 24 Ca 0.16 0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.49 2k6i h GLU 24 Cb 0.09 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 2k6i h GLU 24 CO -0.04 0.07 0.23 1.49 -0.73 0.00 0.00 179.01 180.04 2k6i h GLU 25 N -0.99 0.00 0.10 1.92 4.81 -0.99 0.28 114.58 119.71 2k6i h GLU 25 Ca -0.02 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 58.93 2k6i h GLU 25 Cb 0.41 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.80 2k6i h GLU 25 CO 0.04 0.00 -1.18 0.00 -0.73 0.00 0.00 179.01 177.14 2k6i h ALA 26 N 1.80 0.12 0.00 2.92 0.00 -0.95 -3.28 119.26 119.88 2k6i h ALA 26 Ca 0.13 -0.80 -0.13 0.00 0.00 0.00 0.00 54.91 54.11 2k6i h ALA 26 Cb 0.60 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 2k6i h ALA 26 CO -0.00 0.82 -0.64 -0.22 0.00 0.00 0.00 179.25 179.21 2k6i h LYS 27 N 0.18 0.00 -0.01 0.00 3.64 -0.38 -3.18 116.57 116.82 2k6i h LYS 27 Ca -0.14 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.24 2k6i h LYS 27 Cb 1.86 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.68 2k6i h LYS 27 CO 0.21 0.64 0.01 -0.91 -2.27 0.00 0.00 179.45 177.13 2k6i h ASN 28 N 0.00 0.00 -0.63 4.20 -0.26 -0.58 -1.62 115.58 116.69 2k6i h ASN 28 Ca -0.01 0.00 0.18 0.00 -0.56 0.00 0.00 56.30 55.92 2k6i h ASN 28 Cb 1.41 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 38.64 2k6i h ASN 28 CO 0.08 0.00 0.45 0.08 -1.06 0.00 0.00 177.43 176.99 2k6i h ARG 29 N 0.00 0.00 -0.24 0.81 -0.00 -1.65 0.16 114.38 113.46 2k6i h ARG 29 Ca 0.00 -0.00 -0.12 0.00 -0.00 0.00 0.00 59.98 59.86 2k6i h ARG 29 Cb 0.02 -0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 29.98 2k6i h ARG 29 CO -0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 179.97 179.60 2k6i h ALA 30 N 1.69 0.91 0.00 0.08 0.00 -1.53 -2.92 119.26 117.49 2k6i h ALA 30 Ca 0.30 -0.42 -0.13 0.00 0.00 0.00 0.00 54.91 54.66 2k6i h ALA 30 Cb 1.20 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 2k6i h ALA 30 CO -0.00 0.63 -0.61 0.93 0.00 0.00 0.00 179.25 180.19 2k6i h GLU 31 N 0.45 0.00 0.00 0.00 5.08 -0.86 -2.64 114.58 116.61 2k6i h GLU 31 Ca 0.05 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.36 2k6i h GLU 31 Cb 0.85 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 2k6i h GLU 31 CO 0.07 0.61 -0.23 0.37 -1.00 0.00 0.00 179.01 178.83 2k6i h GLN 32 N 0.00 0.00 0.00 2.33 -0.00 -1.12 0.35 115.11 116.67 2k6i h GLN 32 Ca -0.01 0.00 -0.22 0.00 -0.00 0.00 0.00 58.65 58.43 2k6i h GLN 32 Cb 1.34 0.00 -0.03 0.00 0.00 0.00 0.00 27.48 28.79 2k6i h GLN 32 CO 0.08 0.23 -1.18 0.82 0.00 0.00 0.00 178.83 178.78 2k6i h ILE 33 N 0.00 0.97 0.00 2.39 1.08 -1.50 -3.37 117.51 117.09 2k6i h ILE 33 Ca -0.00 -2.19 -0.02 0.00 -0.39 0.00 0.00 64.86 62.26 2k6i h ILE 33 Cb 0.50 2.30 -0.00 0.00 -3.07 0.00 0.00 36.82 36.55 2k6i h ILE 33 CO 0.03 0.33 -0.10 0.11 -0.69 0.00 0.00 178.15 177.83 2k6i h LYS 34 N -1.00 0.00 -0.55 2.37 1.79 -1.48 -2.20 116.57 115.51 2k6i h LYS 34 Ca -0.33 0.00 0.16 0.00 -2.18 0.00 0.00 60.65 58.30 2k6i h LYS 34 Cb 1.29 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.92 2k6i h LYS 34 CO -0.20 0.10 0.40 0.00 -1.08 0.00 0.00 179.45 178.67 2k6i h ALA 35 N 1.90 2.51 0.00 3.86 0.00 -1.08 0.23 119.26 126.69 2k6i h ALA 35 Ca -0.00 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 2k6i h ALA 35 Cb 0.23 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2k6i h ALA 35 CO 0.01 -0.67 -0.28 0.93 0.00 0.00 0.00 179.25 179.24 2k6i h GLU 36 N 0.01 0.00 0.00 0.00 5.08 -1.59 0.25 114.58 118.32 2k6i h GLU 36 Ca 0.26 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.52 2k6i h GLU 36 Cb 1.04 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.28 2k6i h GLU 36 CO -0.00 0.28 -0.67 0.00 -1.00 0.00 0.00 179.01 177.62 2k6i h ALA 37 N 1.72 0.68 0.00 3.43 0.00 -0.71 -3.30 119.26 121.08 2k6i h ALA 37 Ca -0.00 -0.49 -0.10 0.00 0.00 0.00 0.00 54.91 54.32 2k6i h ALA 37 Cb 0.56 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 2k6i h ALA 37 CO 0.04 0.62 -1.45 -0.89 0.00 0.00 0.00 179.25 177.57 2k6i n ILE 38 N -3.13 0.81 0.32 0.00 -0.00 -0.93 -4.00 119.36 112.43 2k6i n ILE 38 Ca -0.00 -0.62 0.20 0.00 -0.00 0.00 0.00 62.75 62.32 2k6i n ILE 38 Cb 0.74 -0.46 1.07 0.00 -0.00 0.00 0.00 39.64 40.98 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 0.03 0.38 -0.00 -0.59 -0.80 114.58 113.59 2k6i h GLU 39 Ca -0.11 0.00 -0.26 0.00 -0.00 0.00 0.00 59.36 58.99 2k6i h GLU 39 Cb 1.34 0.00 0.02 0.00 -0.00 0.00 0.00 28.75 30.11 2k6i h GLU 39 CO 0.02 0.00 -1.02 0.93 -0.00 0.00 0.00 179.01 178.94 2k6i h GLU 40 N 0.00 0.65 0.00 1.06 5.08 -1.74 -3.22 114.58 116.41 2k6i h GLU 40 Ca 0.01 -0.73 -0.06 0.00 -1.00 0.00 0.00 59.36 57.58 2k6i h GLU 40 Cb 0.23 0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 2k6i h GLU 40 CO -0.00 1.31 -0.28 0.00 -1.00 0.00 0.00 179.01 179.04 2k6i h ALA 41 N 0.36 1.08 -0.23 3.43 0.00 -1.38 -2.89 119.26 119.64 2k6i h ALA 41 Ca -0.14 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 2k6i h ALA 41 Cb 1.69 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.42 2k6i h ALA 41 CO 0.20 0.35 0.04 -0.22 0.00 0.00 0.00 179.25 179.62 2k6i h LYS 42 N 0.00 0.32 -0.05 0.00 1.63 -1.46 -1.85 116.57 115.17 2k6i h LYS 42 Ca -0.00 -0.04 -0.12 0.00 -0.85 0.00 0.00 60.65 59.63 2k6i h LYS 42 Cb 0.73 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.29 2k6i h LYS 42 CO 0.04 0.32 -0.52 -0.22 -3.45 0.00 0.00 179.45 175.61 2k6i h LYS 43 N 0.32 0.14 -3.58 1.90 1.63 -1.60 -3.37 116.57 112.01 2k6i h LYS 43 Ca 0.08 -0.08 -0.73 0.00 -0.85 0.00 0.00 60.65 59.07 2k6i h LYS 43 Cb 0.15 0.01 -0.32 0.00 -0.60 0.00 0.00 32.23 31.47 2k6i h LYS 43 CO -0.00 0.62 -0.11 -1.17 -3.45 0.00 0.00 179.45 175.34 2k6i s LEU 44 N -7.97 5.81 0.00 5.20 1.98 -0.69 -4.75 118.68 118.27 2k6i s LEU 44 Ca -0.03 -3.08 0.00 0.00 -2.89 0.00 0.00 54.13 48.13 2k6i s LEU 44 Cb 0.13 -1.99 0.00 0.00 0.66 0.00 0.00 46.19 44.99 2k6i s LEU 44 CO 0.77 -0.37 0.00 -0.38 -1.89 0.00 0.00 176.35 174.48 2k6i n ILE 45 N 3.27 0.00 -4.47 6.68 2.08 -1.26 -4.90 119.36 120.77 2k6i n ILE 45 Ca 0.14 0.00 -0.25 0.00 0.56 0.00 0.00 62.75 63.20 2k6i n ILE 45 Cb 0.40 -1.09 -0.17 0.00 -0.75 0.00 0.00 39.64 38.04 2k6i n ILE 45 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2k6i s ALA 46 N -1.99 1.24 0.00 -1.39 0.00 -1.26 -5.19 121.76 113.16 2k6i s ALA 46 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 51.96 51.55 2k6i s ALA 46 Cb 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 23.12 22.52 2k6i s ALA 46 CO 0.00 0.04 0.23 0.00 0.00 0.00 0.00 175.76 176.03