#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 0.44 -3.78 1.61 7.64 -1.26 -4.69 113.62 113.58 2k6s n SER 2 Ca 0.00 -0.20 -0.41 0.00 1.01 0.00 0.00 58.87 59.27 2k6s n SER 2 Cb 0.00 1.32 -0.07 0.00 -1.01 0.00 0.00 64.21 64.46 2k6s n SER 2 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2k6s n LEU 3 N -2.09 3.48 0.00 -3.43 4.77 -1.26 -3.89 117.00 114.57 2k6s n LEU 3 Ca -0.01 -2.75 0.00 0.00 -0.03 0.00 0.00 56.01 53.22 2k6s n LEU 3 Cb 0.49 -1.15 0.00 0.00 -2.33 0.00 0.00 43.42 40.43 2k6s n LEU 3 CO 0.43 -0.87 0.00 0.35 -1.33 0.00 0.00 177.39 175.97 2k6s n THR 4 N 6.48 0.00 0.27 -5.08 -2.24 -1.26 -5.06 114.28 107.39 2k6s n THR 4 Ca 0.48 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 62.16 2k6s n THR 4 Cb 0.42 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.60 2k6s n THR 4 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 2k6s h TYR 5 N 0.00 -0.64 -1.20 4.78 3.20 -1.97 -2.70 116.97 118.44 2k6s h TYR 5 Ca 0.00 -0.02 0.35 0.00 3.14 0.00 0.00 58.73 62.20 2k6s h TYR 5 Cb 0.00 0.21 -0.05 0.00 1.54 0.00 0.00 36.73 38.43 2k6s h TYR 5 CO 0.00 -0.40 1.07 -1.91 -1.64 0.00 0.00 178.16 175.28 2k6s n GLU 6 N -3.97 0.01 -0.04 1.82 2.13 -1.26 0.87 120.64 120.19 2k6s n GLU 6 Ca -0.09 0.85 -0.22 0.00 0.66 0.00 0.00 57.16 58.37 2k6s n GLU 6 Cb 0.27 -2.03 -0.13 0.00 0.27 0.00 0.00 31.44 29.82 2k6s n GLU 6 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 2k6s h GLU 7 N 0.00 0.14 -0.19 5.31 4.22 -1.65 -3.37 114.58 119.05 2k6s h GLU 7 Ca 0.57 -0.25 0.05 0.00 0.08 0.00 0.00 59.36 59.82 2k6s h GLU 7 Cb 2.70 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 32.04 2k6s h GLU 7 CO -0.01 1.12 0.14 -0.24 -2.18 0.00 0.00 179.01 177.84 2k6s h VAL 8 N -0.47 0.83 -0.43 0.32 3.04 0.81 -2.51 116.25 117.84 2k6s h VAL 8 Ca -0.37 0.00 0.08 0.00 -1.01 0.00 0.00 66.70 65.40 2k6s h VAL 8 Cb 1.66 0.90 -0.07 0.00 -2.01 0.00 0.00 31.29 31.77 2k6s h VAL 8 CO -0.05 0.00 -0.03 -0.07 -1.01 0.00 0.00 177.57 176.41 2k6s h LEU 9 N 0.00 -0.25 -2.47 3.16 3.38 -1.46 0.11 115.31 117.78 2k6s h LEU 9 Ca 0.09 0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 2k6s h LEU 9 Cb 0.37 0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 2k6s h LEU 9 CO -0.00 -0.08 -0.02 1.56 0.09 0.00 0.00 178.44 179.99 2k6s h GLN 10 N 0.07 0.00 0.06 1.13 1.08 -1.66 -1.43 115.11 114.36 2k6s h GLN 10 Ca 0.21 0.00 -0.24 0.00 -1.45 0.00 0.00 58.65 57.18 2k6s h GLN 10 Cb 0.32 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.73 2k6s h GLN 10 CO -0.38 0.02 -1.10 0.93 -0.95 0.00 0.00 178.83 177.35 2k6s h GLU 11 N 0.00 0.14 0.64 1.46 5.08 -0.88 -2.93 114.58 118.08 2k6s h GLU 11 Ca -0.00 -0.22 -0.03 0.00 -1.00 0.00 0.00 59.36 58.11 2k6s h GLU 11 Cb 0.15 0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.49 2k6s h GLU 11 CO 0.00 1.09 -0.31 1.25 -1.00 0.00 0.00 179.01 180.05 2k6s h LEU 12 N 0.04 -0.73 0.08 1.33 7.12 -0.36 -2.92 115.31 119.86 2k6s h LEU 12 Ca -0.07 -0.02 0.02 0.00 0.13 0.00 0.00 57.88 57.95 2k6s h LEU 12 Cb 1.84 0.19 -0.05 0.00 -0.53 0.00 0.00 40.66 42.11 2k6s h LEU 12 CO 0.16 -0.38 -0.39 1.62 -0.13 0.00 0.00 178.44 179.33 2k6s h VAL 13 N -1.10 0.20 -0.98 1.05 3.04 -1.63 -2.12 116.25 114.71 2k6s h VAL 13 Ca -0.09 0.00 0.33 0.00 -1.01 0.00 0.00 66.70 65.93 2k6s h VAL 13 Cb 0.70 0.20 -0.17 0.00 -2.01 0.00 0.00 31.29 30.01 2k6s h VAL 13 CO 0.14 0.00 0.30 0.50 -1.01 0.00 0.00 177.57 177.51 2k6s h LYS 14 N -0.59 0.05 0.21 4.17 3.64 -1.57 -1.10 116.57 121.38 2k6s h LYS 14 Ca 0.03 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 2k6s h LYS 14 Cb 0.64 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.45 2k6s h LYS 14 CO -0.25 0.03 -0.13 0.45 -2.27 0.00 0.00 179.45 177.29 2k6s h HIS 15 N 0.05 -0.33 -0.88 1.91 3.86 -1.18 0.11 115.15 118.68 2k6s h HIS 15 Ca 0.71 -0.00 0.24 0.00 -1.16 0.00 0.00 60.37 60.15 2k6s h HIS 15 Cb 1.67 0.12 -0.14 0.00 1.06 0.00 0.00 27.41 30.11 2k6s h HIS 15 CO -0.23 -0.19 0.21 0.87 0.86 0.00 0.00 177.93 179.45 2k6s h LYS 16 N -0.31 0.18 -0.23 2.45 1.57 -1.12 0.13 116.57 119.24 2k6s h LYS 16 Ca -0.03 -0.01 -0.17 0.00 -1.87 0.00 0.00 60.65 58.57 2k6s h LYS 16 Cb 0.25 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 2k6s h LYS 16 CO 0.03 0.12 -0.56 1.49 -0.57 0.00 0.00 179.45 179.96 2k6s h GLU 17 N 0.18 0.69 -0.75 3.15 4.22 -1.25 -2.28 114.58 118.54 2k6s h GLU 17 Ca 0.55 -0.44 -0.05 0.00 0.08 0.00 0.00 59.36 59.50 2k6s h GLU 17 Cb 1.13 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.40 2k6s h GLU 17 CO -0.68 1.07 0.28 -0.07 -2.18 0.00 0.00 179.01 177.42 2k6s h LEU 18 N 0.53 1.05 -1.08 1.64 3.38 0.15 -1.83 115.31 119.15 2k6s h LEU 18 Ca 0.01 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 57.73 2k6s h LEU 18 Cb 1.13 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 2k6s h LEU 18 CO 0.11 0.95 -0.18 0.25 0.09 0.00 0.00 178.44 179.66 2k6s h LEU 19 N 1.10 0.43 0.84 1.67 6.46 -0.78 -3.07 115.31 121.96 2k6s h LEU 19 Ca 0.25 -0.12 -0.04 0.00 -0.12 0.00 0.00 57.88 57.85 2k6s h LEU 19 Cb 0.24 -0.11 0.01 0.00 -0.73 0.00 0.00 40.66 40.07 2k6s h LEU 19 CO -0.02 0.63 -0.40 0.03 -0.62 0.00 0.00 178.44 178.06 2k6s h ARG 20 N 0.40 -1.09 -0.95 1.25 3.08 -0.77 -3.13 114.38 113.18 2k6s h ARG 20 Ca 0.07 0.07 0.27 0.00 0.07 0.00 0.00 59.98 60.47 2k6s h ARG 20 Cb 0.55 0.25 -0.17 0.00 0.08 0.00 0.00 29.97 30.68 2k6s h ARG 20 CO 0.04 -0.72 0.15 0.00 -1.07 0.00 0.00 179.97 178.36 2k6s h ARG 21 N -1.30 0.07 -0.85 0.04 3.08 -1.34 0.29 114.38 114.38 2k6s h ARG 21 Ca -0.12 -0.00 0.20 0.00 0.07 0.00 0.00 59.98 60.13 2k6s h ARG 21 Cb 0.86 -0.02 -0.15 0.00 0.08 0.00 0.00 29.97 30.75 2k6s h ARG 21 CO 0.19 0.05 -0.04 0.87 -1.07 0.00 0.00 179.97 179.97 2k6s h LYS 22 N 0.07 0.05 0.62 0.04 1.57 -1.47 0.71 116.57 118.17 2k6s h LYS 22 Ca 0.61 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.35 2k6s h LYS 22 Cb 1.30 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 33.60 2k6s h LYS 22 CO -0.81 0.04 -0.30 -0.44 -0.57 0.00 0.00 179.45 177.37 2k6s h ASP 23 N 0.06 -0.71 -0.96 0.86 3.32 -0.51 -2.51 116.42 115.97 2k6s h ASP 23 Ca 0.46 0.02 0.31 0.00 0.02 0.00 0.00 57.03 57.85 2k6s h ASP 23 Cb 0.84 0.18 -0.16 0.00 0.22 0.00 0.00 39.33 40.42 2k6s h ASP 23 CO -0.79 -0.32 0.38 0.74 -1.72 0.00 0.00 179.24 177.53 2k6s h THR 24 N -1.20 0.20 0.17 0.35 2.02 -0.64 0.94 112.91 114.75 2k6s h THR 24 Ca -0.09 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 67.03 2k6s h THR 24 Cb 0.64 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 67.06 2k6s h THR 24 CO 0.14 0.03 -0.08 -0.74 0.37 0.00 0.00 175.52 175.24 2k6s h HIS 25 N 0.18 -0.21 0.00 3.16 2.76 0.38 0.21 115.15 121.63 2k6s h HIS 25 Ca 0.68 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.85 2k6s h HIS 25 Cb 1.55 0.07 0.00 0.00 1.55 0.00 0.00 27.41 30.57 2k6s h HIS 25 CO -0.16 0.08 0.00 -0.84 -1.30 0.00 0.00 177.93 175.71 2k6s h ILE 26 N -0.49 0.00 0.11 6.26 3.07 -0.56 0.52 117.51 126.41 2k6s h ILE 26 Ca -0.02 -0.15 -0.34 0.00 1.55 0.00 0.00 64.86 65.89 2k6s h ILE 26 Cb 0.38 0.93 -0.02 0.00 -0.27 0.00 0.00 36.82 37.84 2k6s h ILE 26 CO 0.04 0.00 -1.85 -0.09 -1.05 0.00 0.00 178.15 175.20 2k6s h ARG 27 N 0.00 0.23 0.14 0.16 1.12 -0.63 -3.18 114.38 112.22 2k6s h ARG 27 Ca 0.00 -0.39 -0.01 0.00 -1.11 0.00 0.00 59.98 58.47 2k6s h ARG 27 Cb 0.18 0.15 0.00 0.00 -0.01 0.00 0.00 29.97 30.29 2k6s h ARG 27 CO 0.00 1.19 -0.07 1.49 -3.11 0.00 0.00 179.97 179.47 2k6s h GLU 28 N -0.12 -0.18 0.00 0.20 4.57 -0.15 -2.57 114.58 116.33 2k6s h GLU 28 Ca -0.41 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.79 2k6s h GLU 28 Cb 1.91 0.04 0.00 0.00 -0.16 0.00 0.00 28.75 30.54 2k6s h GLU 28 CO 0.04 0.12 0.00 1.28 -1.18 0.00 0.00 179.01 179.28 2k6s n LEU 29 N -5.04 0.39 0.14 1.64 4.32 0.13 -1.47 117.00 117.12 2k6s n LEU 29 Ca -0.09 0.64 0.01 0.00 -0.02 0.00 0.00 56.01 56.56 2k6s n LEU 29 Cb 0.21 -0.64 0.15 0.00 -1.62 0.00 0.00 43.42 41.51 2k6s n LEU 29 CO 0.32 -0.64 0.50 -0.33 -1.22 0.00 0.00 177.39 176.02 2k6s h GLU 30 N 0.00 0.00 0.00 3.23 4.39 -1.44 -2.98 114.58 117.79 2k6s h GLU 30 Ca 0.00 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.65 2k6s h GLU 30 Cb 0.14 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 2k6s h GLU 30 CO 0.00 0.57 -0.24 -0.44 -1.16 0.00 0.00 179.01 177.74 2k6s h ASP 31 N 0.00 0.00 0.36 1.42 5.19 -1.24 -2.87 116.42 119.28 2k6s h ASP 31 Ca -0.01 0.00 -0.17 0.00 -0.62 0.00 0.00 57.03 56.24 2k6s h ASP 31 Cb 1.22 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.72 2k6s h ASP 31 CO 0.07 0.21 -0.69 1.88 -3.12 0.00 0.00 179.24 177.60 2k6s h TYR 32 N 0.00 0.39 0.00 4.55 0.05 -1.53 -2.93 116.97 117.50 2k6s h TYR 32 Ca -0.00 -0.17 0.00 0.00 0.05 0.00 0.00 58.73 58.61 2k6s h TYR 32 Cb 1.17 -0.06 0.00 0.00 1.01 0.00 0.00 36.73 38.84 2k6s h TYR 32 CO 0.00 0.89 -0.29 0.82 -1.05 0.00 0.00 178.16 178.53 2k6s h ILE 33 N 0.20 0.00 -0.71 -2.88 2.04 -1.54 -3.31 117.51 111.32 2k6s h ILE 33 Ca -0.02 -0.57 -0.04 0.00 1.00 0.00 0.00 64.86 65.23 2k6s h ILE 33 Cb 1.23 1.39 -0.03 0.00 -0.74 0.00 0.00 36.82 38.67 2k6s h ILE 33 CO 0.11 0.00 0.28 0.44 0.00 0.00 0.00 178.15 178.98 2k6s h ASP 34 N 0.00 0.98 -1.07 1.72 3.32 -1.30 -2.81 116.42 117.26 2k6s h ASP 34 Ca 0.00 -0.18 0.37 0.00 0.02 0.00 0.00 57.03 57.25 2k6s h ASP 34 Cb 0.79 -0.25 -0.15 0.00 0.22 0.00 0.00 39.33 39.93 2k6s h ASP 34 CO 0.00 0.89 0.62 0.78 -1.72 0.00 0.00 179.24 179.81 2k6s h ASN 35 N 1.01 0.40 -0.12 6.45 2.35 -1.65 0.83 115.58 124.85 2k6s h ASN 35 Ca 0.23 0.20 -0.02 0.00 -0.55 0.00 0.00 56.30 56.16 2k6s h ASN 35 Cb 0.22 0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.75 2k6s h ASN 35 CO -0.02 -0.22 0.01 -0.07 -1.65 0.00 0.00 177.43 175.48 2k6s h LEU 36 N 0.19 0.20 -5.32 1.61 3.38 -1.74 -3.32 115.31 110.31 2k6s h LEU 36 Ca 0.78 -0.28 -0.59 0.00 0.09 0.00 0.00 57.88 57.88 2k6s h LEU 36 Cb 2.02 -0.05 -0.42 0.00 0.09 0.00 0.00 40.66 42.29 2k6s h LEU 36 CO -0.60 0.43 -0.63 0.00 0.09 0.00 0.00 178.44 177.73 2k6s n LEU 37 N -4.81 4.50 0.00 1.67 -0.00 0.18 -5.03 117.00 113.50 2k6s n LEU 37 Ca -0.06 -5.68 -0.08 0.00 -0.00 0.00 0.00 56.01 50.19 2k6s n LEU 37 Cb 0.19 -0.57 0.02 0.00 -0.00 0.00 0.00 43.42 43.06 2k6s n LEU 37 CO 0.35 2.35 0.42 0.55 -0.00 0.00 0.00 177.39 181.06 2k6s n VAL 38 N -0.22 0.00 -2.32 1.47 3.14 0.23 -4.85 118.33 115.78 2k6s n VAL 38 Ca 0.31 -0.86 -0.43 0.00 -2.96 0.00 0.00 64.34 60.40 2k6s n VAL 38 Cb 0.39 0.82 -0.02 0.00 -1.06 0.00 0.00 33.84 33.97 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 -2.11 3.67 0.40 1.45 6.06 -1.26 -4.85 118.95 122.30 2k6s s ARG 39 Ca 0.14 1.14 -0.08 0.00 -2.50 0.00 0.00 55.73 54.42 2k6s s ARG 39 Cb -0.04 -4.00 -0.06 0.00 0.06 0.00 0.00 34.95 30.92 2k6s s ARG 39 CO 0.10 -1.44 0.73 0.14 -2.50 0.00 0.00 175.30 172.33 2k6s s VAL 40 N 5.23 4.86 0.00 7.11 -7.23 -1.26 -4.95 120.40 124.16 2k6s s VAL 40 Ca 0.62 0.42 0.00 0.00 -1.81 0.00 0.00 61.98 61.21 2k6s s VAL 40 Cb -0.16 -3.76 0.00 0.00 0.56 0.00 0.00 36.38 33.02 2k6s s VAL 40 CO 0.30 -0.55 0.33 1.15 -0.31 0.00 0.00 175.10 176.02