#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k6s n SER 2 N 0.00 0.63 -3.41 1.61 7.64 -1.26 -4.51 113.62 114.33 2k6s n SER 2 Ca 0.00 -0.06 -0.38 0.00 1.01 0.00 0.00 58.87 59.44 2k6s n SER 2 Cb 0.00 0.66 -0.02 0.00 -1.01 0.00 0.00 64.21 63.84 2k6s n SER 2 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k6s n LEU 3 N -2.09 7.55 0.00 -3.43 -0.00 -1.26 -3.16 117.00 114.61 2k6s n LEU 3 Ca 0.02 -4.03 0.00 0.00 -0.00 0.00 0.00 56.01 52.00 2k6s n LEU 3 Cb 0.46 -1.50 0.00 0.00 -0.00 0.00 0.00 43.42 42.38 2k6s n LEU 3 CO 0.40 1.52 0.00 0.35 -0.00 0.00 0.00 177.39 179.65 2k6s n THR 4 N 4.16 0.00 -0.32 1.47 -2.24 -1.26 -4.95 114.28 111.13 2k6s n THR 4 Ca 0.66 0.00 0.25 0.00 -2.27 0.00 0.00 64.05 62.69 2k6s n THR 4 Cb 0.26 0.00 0.46 0.00 -2.10 0.00 0.00 70.33 68.96 2k6s n THR 4 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k6s n TYR 5 N 0.00 0.94 0.34 4.78 9.36 -1.26 0.14 117.16 131.46 2k6s n TYR 5 Ca 0.00 1.17 0.15 0.00 3.32 0.00 0.00 57.90 62.54 2k6s n TYR 5 Cb 0.00 -1.43 0.57 0.00 -0.63 0.00 0.00 39.34 37.85 2k6s n TYR 5 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 2k6s h GLU 6 N 0.00 0.00 0.03 2.98 5.08 -1.95 -1.48 114.58 119.24 2k6s h GLU 6 Ca 0.74 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 59.00 2k6s h GLU 6 Cb 1.82 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.08 2k6s h GLU 6 CO -0.82 0.00 -0.40 1.49 -1.00 0.00 0.00 179.01 178.28 2k6s h GLU 7 N 0.00 0.22 -0.06 2.33 4.22 0.12 -3.18 114.58 118.23 2k6s h GLU 7 Ca 0.00 -0.27 -0.18 0.00 0.08 0.00 0.00 59.36 58.98 2k6s h GLU 7 Cb 0.47 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 2k6s h GLU 7 CO 0.00 1.04 -0.75 -0.24 -2.18 0.00 0.00 179.01 176.88 2k6s h VAL 8 N -0.48 1.40 0.34 0.32 3.04 -1.46 -3.08 116.25 116.33 2k6s h VAL 8 Ca -0.06 -2.21 0.00 0.00 -1.01 0.00 0.00 66.70 63.42 2k6s h VAL 8 Cb 1.20 2.17 -0.03 0.00 -2.01 0.00 0.00 31.29 32.63 2k6s h VAL 8 CO 0.08 0.66 -0.43 0.25 -1.01 0.00 0.00 177.57 177.12 2k6s h LEU 9 N 0.23 -1.20 -2.44 3.16 6.46 -1.37 -1.11 115.31 119.05 2k6s h LEU 9 Ca -0.03 0.11 -0.00 0.00 -0.12 0.00 0.00 57.88 57.83 2k6s h LEU 9 Cb 1.33 0.42 -0.00 0.00 -0.73 0.00 0.00 40.66 41.67 2k6s h LEU 9 CO 0.12 -0.56 -0.02 1.56 -0.62 0.00 0.00 178.44 178.93 2k6s h GLN 10 N -0.81 0.00 0.00 1.25 1.08 -1.64 -0.83 115.11 114.16 2k6s h GLN 10 Ca -0.02 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.16 2k6s h GLN 10 Cb 0.75 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.18 2k6s h GLN 10 CO -0.12 0.02 -0.07 1.49 -0.95 0.00 0.00 178.83 179.20 2k6s h GLU 11 N 0.00 0.00 0.23 1.46 4.81 -1.14 -3.13 114.58 116.80 2k6s h GLU 11 Ca -0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 2k6s h GLU 11 Cb 0.17 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.55 2k6s h GLU 11 CO 0.00 0.07 -0.11 1.25 -0.73 0.00 0.00 179.01 179.49 2k6s h LEU 12 N 0.00 -0.26 0.37 1.64 7.12 -0.10 -3.02 115.31 121.06 2k6s h LEU 12 Ca -0.00 -0.26 -0.00 0.00 0.13 0.00 0.00 57.88 57.75 2k6s h LEU 12 Cb 0.92 0.07 -0.03 0.00 -0.53 0.00 0.00 40.66 41.09 2k6s h LEU 12 CO 0.01 0.25 -0.45 1.62 -0.13 0.00 0.00 178.44 179.74 2k6s h VAL 13 N -0.90 0.11 -0.98 1.05 3.04 -1.64 -2.18 116.25 114.75 2k6s h VAL 13 Ca -0.03 0.00 0.29 0.00 -1.01 0.00 0.00 66.70 65.95 2k6s h VAL 13 Cb 0.50 0.11 -0.14 0.00 -2.01 0.00 0.00 31.29 29.75 2k6s h VAL 13 CO 0.05 0.00 0.53 0.50 -1.01 0.00 0.00 177.57 177.64 2k6s h LYS 14 N -0.85 0.37 -0.52 4.17 3.64 -1.68 0.38 116.57 122.08 2k6s h LYS 14 Ca -0.03 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.23 2k6s h LYS 14 Cb 0.78 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.49 2k6s h LYS 14 CO -0.11 0.24 -0.05 0.45 -2.27 0.00 0.00 179.45 177.71 2k6s h HIS 15 N 0.38 1.00 -0.14 1.91 3.86 -1.30 0.13 115.15 120.98 2k6s h HIS 15 Ca 0.68 -0.17 -0.09 0.00 -1.16 0.00 0.00 60.37 59.63 2k6s h HIS 15 Cb 1.47 -0.26 0.00 0.00 1.06 0.00 0.00 27.41 29.68 2k6s h HIS 15 CO -0.05 0.92 -0.26 0.87 0.86 0.00 0.00 177.93 180.27 2k6s h LYS 16 N 0.83 0.42 -0.32 2.45 1.57 0.21 -2.68 116.57 119.06 2k6s h LYS 16 Ca 0.15 -0.27 -0.10 0.00 -1.87 0.00 0.00 60.65 58.56 2k6s h LYS 16 Cb 0.57 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 2k6s h LYS 16 CO 0.03 0.87 -0.21 1.49 -0.57 0.00 0.00 179.45 181.06 2k6s h GLU 17 N 0.03 0.61 -0.52 3.15 4.22 -0.65 -1.83 114.58 119.59 2k6s h GLU 17 Ca 0.01 -0.23 -0.01 0.00 0.08 0.00 0.00 59.36 59.21 2k6s h GLU 17 Cb 0.85 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.04 2k6s h GLU 17 CO 0.06 0.78 0.28 -0.07 -2.18 0.00 0.00 179.01 177.88 2k6s h LEU 18 N 0.54 0.66 -1.06 1.64 3.38 -0.75 -1.65 115.31 118.07 2k6s h LEU 18 Ca 0.08 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.87 2k6s h LEU 18 Cb 0.67 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 2k6s h LEU 18 CO 0.05 0.57 -0.21 0.25 0.09 0.00 0.00 178.44 179.19 2k6s h LEU 19 N 0.70 0.42 0.76 1.67 6.46 -1.28 -2.68 115.31 121.36 2k6s h LEU 19 Ca 0.18 -0.13 -0.04 0.00 -0.12 0.00 0.00 57.88 57.78 2k6s h LEU 19 Cb 0.06 -0.11 0.01 0.00 -0.73 0.00 0.00 40.66 39.89 2k6s h LEU 19 CO -0.03 0.64 -0.37 -0.09 -0.62 0.00 0.00 178.44 177.98 2k6s h ARG 20 N 0.39 -0.99 -0.94 1.25 2.43 -0.76 -3.14 114.38 112.63 2k6s h ARG 20 Ca 0.06 0.07 0.18 0.00 -0.81 0.00 0.00 59.98 59.48 2k6s h ARG 20 Cb 0.58 0.22 -0.11 0.00 -0.42 0.00 0.00 29.97 30.25 2k6s h ARG 20 CO 0.04 -0.66 0.52 -0.09 -1.51 0.00 0.00 179.97 178.28 2k6s h ARG 21 N -1.23 0.64 -0.91 0.20 2.43 -1.35 -0.68 114.38 113.49 2k6s h ARG 21 Ca -0.10 -0.04 0.25 0.00 -0.81 0.00 0.00 59.98 59.27 2k6s h ARG 21 Cb 0.79 -0.14 -0.16 0.00 -0.42 0.00 0.00 29.97 30.03 2k6s h ARG 21 CO 0.17 0.42 0.09 -0.22 -1.51 0.00 0.00 179.97 178.93 2k6s h LYS 22 N 0.66 0.08 0.37 0.20 3.64 -1.42 0.64 116.57 120.73 2k6s h LYS 22 Ca 0.54 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.90 2k6s h LYS 22 Cb 0.85 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.66 2k6s h LYS 22 CO -0.40 0.05 -0.18 -0.44 -2.27 0.00 0.00 179.45 176.21 2k6s h ASP 23 N 0.08 -0.42 -1.00 4.20 3.32 -1.16 -3.01 116.42 118.42 2k6s h ASP 23 Ca 0.56 -0.05 0.29 0.00 0.02 0.00 0.00 57.03 57.85 2k6s h ASP 23 Cb 1.13 0.11 -0.14 0.00 0.22 0.00 0.00 39.33 40.65 2k6s h ASP 23 CO -0.80 0.03 0.58 0.74 -1.72 0.00 0.00 179.24 178.08 2k6s h THR 24 N -1.09 0.39 0.20 0.35 2.02 -0.79 0.93 112.91 114.92 2k6s h THR 24 Ca -0.05 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 66.98 2k6s h THR 24 Cb 0.45 -0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.79 2k6s h THR 24 CO 0.08 0.08 -0.10 -0.74 0.37 0.00 0.00 175.52 175.21 2k6s h HIS 25 N 0.42 -0.25 -0.50 3.16 -0.00 0.17 0.45 115.15 118.60 2k6s h HIS 25 Ca 0.70 -0.01 0.01 0.00 -0.00 0.00 0.00 60.37 61.07 2k6s h HIS 25 Cb 1.51 0.08 -0.03 0.00 -0.00 0.00 0.00 27.41 28.98 2k6s h HIS 25 CO -0.01 0.05 0.33 -0.84 -0.00 0.00 0.00 177.93 177.46 2k6s h ILE 26 N -0.54 1.11 -0.70 6.26 3.07 -1.10 -0.70 117.51 124.92 2k6s h ILE 26 Ca -0.03 -0.23 0.06 0.00 1.55 0.00 0.00 64.86 66.22 2k6s h ILE 26 Cb 0.40 0.39 -0.06 0.00 -0.27 0.00 0.00 36.82 37.29 2k6s h ILE 26 CO 0.04 0.12 0.39 -0.09 -1.05 0.00 0.00 178.15 177.56 2k6s h ARG 27 N 0.67 0.69 -0.40 0.16 1.12 -0.81 -0.92 114.38 114.89 2k6s h ARG 27 Ca 0.19 -0.04 -0.03 0.00 -1.11 0.00 0.00 59.98 58.99 2k6s h ARG 27 Cb -0.06 -0.16 -0.02 0.00 -0.01 0.00 0.00 29.97 29.73 2k6s h ARG 27 CO -0.05 0.45 0.13 1.05 -3.11 0.00 0.00 179.97 178.44 2k6s h GLU 28 N 0.71 0.62 0.00 0.20 4.11 -0.38 -1.77 114.58 118.07 2k6s h GLU 28 Ca 0.31 -0.13 0.00 0.00 0.07 0.00 0.00 59.36 59.61 2k6s h GLU 28 Cb 0.21 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.37 2k6s h GLU 28 CO -0.19 0.62 0.00 -0.11 0.07 0.00 0.00 179.01 179.40 2k6s n LEU 29 N -4.60 0.28 0.06 3.06 7.94 -0.32 -2.56 117.00 120.86 2k6s n LEU 29 Ca -0.00 0.59 -0.07 0.00 -1.11 0.00 0.00 56.01 55.42 2k6s n LEU 29 Cb 0.18 -0.59 -0.04 0.00 0.53 0.00 0.00 43.42 43.50 2k6s n LEU 29 CO 0.38 -0.54 0.21 -0.08 -1.11 0.00 0.00 177.39 176.25 2k6s h GLU 30 N 0.00 -0.24 -0.30 1.96 4.22 -0.27 -2.63 114.58 117.32 2k6s h GLU 30 Ca 0.00 0.02 0.09 0.00 0.08 0.00 0.00 59.36 59.54 2k6s h GLU 30 Cb 0.16 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 2k6s h GLU 30 CO 0.00 0.01 0.26 -0.44 -2.18 0.00 0.00 179.01 176.66 2k6s h ASP 31 N -1.02 0.00 -0.21 1.04 3.32 -1.44 0.11 116.42 118.22 2k6s h ASP 31 Ca -0.03 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.85 2k6s h ASP 31 Cb 0.36 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.91 2k6s h ASP 31 CO 0.04 0.00 -0.50 0.22 -1.72 0.00 0.00 179.24 177.28 2k6s h TYR 32 N 0.00 0.98 -0.00 4.55 3.20 -1.52 -2.79 116.97 121.38 2k6s h TYR 32 Ca 0.14 -0.33 0.00 0.00 3.14 0.00 0.00 58.73 61.68 2k6s h TYR 32 Cb 0.66 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.74 2k6s h TYR 32 CO 0.00 1.13 -0.09 -0.89 -1.64 0.00 0.00 178.16 176.66 2k6s n ILE 33 N -4.01 0.00 0.09 1.81 5.41 0.17 -3.54 119.36 119.29 2k6s n ILE 33 Ca -0.03 -0.01 -0.02 0.00 1.00 0.00 0.00 62.75 63.69 2k6s n ILE 33 Cb 0.60 -0.33 0.22 0.00 -0.71 0.00 0.00 39.64 39.41 2k6s n ILE 33 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 2k6s h ASP 34 N 0.08 0.27 -1.11 4.38 3.32 -0.71 -3.07 116.42 119.58 2k6s h ASP 34 Ca 0.00 -0.11 0.36 0.00 0.02 0.00 0.00 57.03 57.30 2k6s h ASP 34 Cb 0.44 -0.08 -0.14 0.00 0.22 0.00 0.00 39.33 39.78 2k6s h ASP 34 CO 0.00 0.66 0.67 0.78 -1.72 0.00 0.00 179.24 179.62 2k6s h ASN 35 N 0.22 0.40 -0.25 6.45 2.35 -1.65 0.70 115.58 123.81 2k6s h ASN 35 Ca 0.02 0.17 -0.05 0.00 -0.55 0.00 0.00 56.30 55.89 2k6s h ASN 35 Cb 0.82 0.13 -0.01 0.00 0.05 0.00 0.00 38.32 39.31 2k6s h ASN 35 CO 0.06 -0.15 -0.03 -0.07 -1.65 0.00 0.00 177.43 175.59 2k6s h LEU 36 N 0.23 0.46 -5.23 1.61 3.38 -1.81 -3.32 115.31 110.63 2k6s h LEU 36 Ca 0.76 -0.34 -0.59 0.00 0.09 0.00 0.00 57.88 57.79 2k6s h LEU 36 Cb 1.99 -0.13 -0.42 0.00 0.09 0.00 0.00 40.66 42.20 2k6s h LEU 36 CO -0.52 0.70 -0.65 0.00 0.09 0.00 0.00 178.44 178.05 2k6s n LEU 37 N -4.59 4.51 0.00 1.67 -0.00 0.18 -5.03 117.00 113.74 2k6s n LEU 37 Ca -0.04 -5.65 -0.07 0.00 -0.00 0.00 0.00 56.01 50.25 2k6s n LEU 37 Cb 0.28 -0.55 0.02 0.00 -0.00 0.00 0.00 43.42 43.17 2k6s n LEU 37 CO 0.39 2.35 0.42 0.55 -0.00 0.00 0.00 177.39 181.09 2k6s n VAL 38 N -0.27 0.00 -2.30 1.47 3.14 0.19 -4.88 118.33 115.68 2k6s n VAL 38 Ca 0.32 -0.79 -0.43 0.00 -2.96 0.00 0.00 64.34 60.48 2k6s n VAL 38 Cb 0.41 0.78 -0.02 0.00 -1.06 0.00 0.00 33.84 33.95 2k6s n VAL 38 CO 0.00 0.00 0.00 -0.60 -6.46 0.00 0.00 176.83 169.77 2k6s s ARG 39 N -2.08 3.70 0.31 1.45 6.06 -1.26 -4.86 118.95 122.27 2k6s s ARG 39 Ca 0.13 1.19 -0.11 0.00 -2.50 0.00 0.00 55.73 54.44 2k6s s ARG 39 Cb -0.04 -4.00 -0.08 0.00 0.06 0.00 0.00 34.95 30.90 2k6s s ARG 39 CO 0.09 -1.41 0.67 0.14 -2.50 0.00 0.00 175.30 172.30 2k6s s VAL 40 N 5.18 4.81 0.00 7.11 -7.23 -1.26 -4.96 120.40 124.05 2k6s s VAL 40 Ca 0.63 0.65 0.00 0.00 -1.81 0.00 0.00 61.98 61.45 2k6s s VAL 40 Cb -0.17 -3.65 0.00 0.00 0.56 0.00 0.00 36.38 33.12 2k6s s VAL 40 CO 0.29 -0.24 0.30 1.15 -0.31 0.00 0.00 175.10 176.30