#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 1.77 -3.54 1.61 7.64 -1.26 -4.68 113.62 115.16 2k6s n SER 2 Ca 0.00 -1.39 -0.40 0.00 1.01 0.00 0.00 58.87 58.09 2k6s n SER 2 Cb 0.00 0.46 -0.01 0.00 -1.01 0.00 0.00 64.21 63.64 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 -0.06 7.55 0.00 -3.43 4.77 -1.26 -3.43 117.00 121.15 2k6s n LEU 3 Ca 0.08 -4.17 0.00 0.00 -0.03 0.00 0.00 56.01 51.89 2k6s n LEU 3 Cb 0.38 -1.59 0.00 0.00 -2.33 0.00 0.00 43.42 39.88 2k6s n LEU 3 CO 0.22 1.46 0.00 0.35 -1.33 0.00 0.00 177.39 178.10 2k6s n THR 4 N 4.46 0.00 -0.38 -5.08 -2.24 -1.26 -4.97 114.28 104.81 2k6s n THR 4 Ca 0.63 0.00 0.32 0.00 -2.27 0.00 0.00 64.05 62.73 2k6s n THR 4 Cb 0.32 0.00 0.59 0.00 -2.10 0.00 0.00 70.33 69.14 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 0.70 0.00 4.78 3.20 -1.97 0.85 116.97 124.54 2k6s h TYR 5 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 2k6s h TYR 5 Cb 0.00 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.10 2k6s h TYR 5 CO 0.00 -0.26 0.00 0.93 -1.64 0.00 0.00 178.16 177.19 2k6s h GLU 6 N 0.13 0.00 0.06 1.82 5.08 -1.96 -2.30 114.58 117.40 2k6s h GLU 6 Ca 0.80 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 59.06 2k6s h GLU 6 Cb 2.25 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.51 2k6s h GLU 6 CO -0.55 0.00 -0.43 1.49 -1.00 0.00 0.00 179.01 178.53 2k6s h GLU 7 N 0.00 0.18 -0.16 2.33 4.22 0.72 -3.26 114.58 118.62 2k6s h GLU 7 Ca 0.00 -0.28 -0.14 0.00 0.08 0.00 0.00 59.36 59.02 2k6s h GLU 7 Cb 0.57 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 2k6s h GLU 7 CO 0.00 1.09 -0.50 -0.24 -2.18 0.00 0.00 179.01 177.19 2k6s h VAL 8 N -0.58 1.33 -0.07 0.32 3.04 -1.52 -3.17 116.25 115.59 2k6s h VAL 8 Ca -0.07 -1.72 0.04 0.00 -1.01 0.00 0.00 66.70 63.94 2k6s h VAL 8 Cb 1.29 1.74 -0.06 0.00 -2.01 0.00 0.00 31.29 32.25 2k6s h VAL 8 CO 0.08 0.53 -0.29 -0.07 -1.01 0.00 0.00 177.57 176.81 2k6s h LEU 9 N 0.35 -0.89 -2.43 3.16 3.38 -1.52 -0.31 115.31 117.03 2k6s h LEU 9 Ca 0.02 0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 2k6s h LEU 9 Cb 0.99 0.37 -0.00 0.00 0.09 0.00 0.00 40.66 42.12 2k6s h LEU 9 CO 0.09 -0.35 -0.01 1.56 0.09 0.00 0.00 178.44 179.82 2k6s h GLN 10 N -0.40 0.00 0.00 1.13 1.08 -1.59 -1.49 115.11 113.84 2k6s h GLN 10 Ca 0.08 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.18 2k6s h GLN 10 Cb 0.52 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.94 2k6s h GLN 10 CO -0.30 0.01 -0.47 0.93 -0.95 0.00 0.00 178.83 178.05 2k6s h GLU 11 N 0.00 0.00 0.02 1.46 5.08 -1.04 -2.31 114.58 117.79 2k6s h GLU 11 Ca -0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2k6s h GLU 11 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 2k6s h GLU 11 CO 0.00 0.47 -0.01 1.25 -1.00 0.00 0.00 179.01 179.72 2k6s h LEU 12 N 0.00 -0.02 -0.72 1.33 7.12 -0.73 -2.34 115.31 119.94 2k6s h LEU 12 Ca -0.00 -0.59 0.00 0.00 0.13 0.00 0.00 57.88 57.41 2k6s h LEU 12 Cb 1.14 0.01 0.00 0.00 -0.53 0.00 0.00 40.66 41.27 2k6s h LEU 12 CO 0.06 0.59 0.00 0.55 -0.13 0.00 0.00 178.44 179.51 2k6s n VAL 13 N -4.81 0.85 -0.07 1.05 3.14 -1.18 -1.63 118.33 115.69 2k6s n VAL 13 Ca -0.09 0.26 -0.10 0.00 -2.96 0.00 0.00 64.34 61.45 2k6s n VAL 13 Cb 0.31 -1.19 -0.08 0.00 -1.06 0.00 0.00 33.84 31.81 2k6s n VAL 13 CO 0.00 0.00 0.00 0.50 -6.46 0.00 0.00 176.83 170.87 2k6s h LYS 14 N 0.00 0.00 -0.31 1.45 3.64 -1.36 -2.70 116.57 117.29 2k6s h LYS 14 Ca 0.00 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 2k6s h LYS 14 Cb 0.34 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 2k6s h LYS 14 CO 0.00 0.64 0.01 0.45 -2.27 0.00 0.00 179.45 178.28 2k6s h HIS 15 N -1.00 0.49 -0.16 1.91 3.86 -1.37 0.09 115.15 118.97 2k6s h HIS 15 Ca -0.05 -0.04 -0.07 0.00 -1.16 0.00 0.00 60.37 59.05 2k6s h HIS 15 Cb 0.72 -0.14 -0.00 0.00 1.06 0.00 0.00 27.41 29.04 2k6s h HIS 15 CO 0.14 0.48 -0.16 0.87 0.86 0.00 0.00 177.93 180.11 2k6s h LYS 16 N 0.46 0.39 -0.13 2.45 1.57 -1.44 -2.58 116.57 117.29 2k6s h LYS 16 Ca 0.10 -0.21 -0.13 0.00 -1.87 0.00 0.00 60.65 58.54 2k6s h LYS 16 Cb 0.29 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 2k6s h LYS 16 CO 0.01 0.77 -0.51 1.49 -0.57 0.00 0.00 179.45 180.64 2k6s h GLU 17 N 0.02 0.34 -0.67 3.15 4.22 -1.29 -2.91 114.58 117.44 2k6s h GLU 17 Ca 0.02 -0.20 -0.04 0.00 0.08 0.00 0.00 59.36 59.23 2k6s h GLU 17 Cb 0.70 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.94 2k6s h GLU 17 CO 0.04 0.77 0.27 -0.07 -2.18 0.00 0.00 179.01 177.84 2k6s h LEU 18 N 0.27 0.90 -1.19 1.64 3.38 -0.98 -1.81 115.31 117.52 2k6s h LEU 18 Ca 0.01 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 57.78 2k6s h LEU 18 Cb 0.99 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 2k6s h LEU 18 CO 0.08 0.80 -0.24 -0.07 0.09 0.00 0.00 178.44 179.11 2k6s h LEU 19 N 0.97 0.26 0.92 1.67 3.38 -1.30 -2.84 115.31 118.37 2k6s h LEU 19 Ca 0.23 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 2k6s h LEU 19 Cb 0.18 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 40.87 2k6s h LEU 19 CO -0.02 0.51 -0.44 -0.09 0.09 0.00 0.00 178.44 178.48 2k6s h ARG 20 N 0.24 -1.19 -0.98 1.13 9.65 -1.15 -2.69 114.38 119.40 2k6s h ARG 20 Ca 0.04 0.08 0.12 0.00 -1.10 0.00 0.00 59.98 59.12 2k6s h ARG 20 Cb 0.56 0.27 -0.09 0.00 -1.39 0.00 0.00 29.97 29.32 2k6s h ARG 20 CO 0.04 -0.79 0.60 0.00 2.80 0.00 0.00 179.97 182.62 2k6s h ARG 21 N -1.30 0.92 0.00 0.20 3.08 -1.51 0.18 114.38 115.95 2k6s h ARG 21 Ca -0.13 -0.06 -0.00 0.00 0.07 0.00 0.00 59.98 59.87 2k6s h ARG 21 Cb 0.95 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.79 2k6s h ARG 21 CO 0.21 0.61 -0.01 -0.22 -1.07 0.00 0.00 179.97 179.48 2k6s h LYS 22 N 0.94 0.00 0.00 0.04 3.64 -1.43 0.76 116.57 120.52 2k6s h LYS 22 Ca 0.49 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.66 2k6s h LYS 22 Cb 0.51 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.29 2k6s h LYS 22 CO -0.27 0.01 -1.60 -0.25 -2.27 0.00 0.00 179.45 175.06 2k6s n ASP 23 N -3.62 0.74 0.01 4.20 9.92 0.49 -3.84 116.55 124.44 2k6s n ASP 23 Ca -0.03 0.33 -0.03 0.00 -0.53 0.00 0.00 54.79 54.53 2k6s n ASP 23 Cb 0.09 0.28 -0.10 0.00 -0.64 0.00 0.00 41.12 40.75 2k6s n ASP 23 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 2k6s n THR 24 N -2.88 1.33 -0.04 -3.53 -1.04 -0.29 -3.68 114.28 104.15 2k6s n THR 24 Ca -0.13 -0.73 -0.09 0.00 -2.04 0.00 0.00 64.05 61.05 2k6s n THR 24 Cb 0.91 -0.84 0.06 0.00 -1.82 0.00 0.00 70.33 68.64 2k6s n THR 24 CO 0.00 0.00 0.00 -0.74 -0.64 0.00 0.00 175.07 173.69 2k6s h HIS 25 N 0.00 0.81 0.00 -1.42 6.17 0.30 0.36 115.15 121.37 2k6s h HIS 25 Ca -0.21 -0.25 0.00 0.00 0.71 0.00 0.00 60.37 60.62 2k6s h HIS 25 Cb 1.74 -0.17 0.00 0.00 2.52 0.00 0.00 27.41 31.50 2k6s h HIS 25 CO 0.00 0.98 0.00 -0.84 0.71 0.00 0.00 177.93 178.78 2k6s h ILE 26 N 0.54 0.00 0.08 6.26 3.07 -1.71 -1.86 117.51 123.90 2k6s h ILE 26 Ca 0.04 -0.54 -0.30 0.00 1.55 0.00 0.00 64.86 65.61 2k6s h ILE 26 Cb 0.97 1.52 -0.02 0.00 -0.27 0.00 0.00 36.82 39.02 2k6s h ILE 26 CO 0.09 0.00 -1.60 -0.09 -1.05 0.00 0.00 178.15 175.50 2k6s h ARG 27 N 0.00 0.17 -0.15 0.16 2.43 -1.52 -3.26 114.38 112.22 2k6s h ARG 27 Ca 0.00 -0.30 -0.02 0.00 -0.81 0.00 0.00 59.98 58.86 2k6s h ARG 27 Cb 0.56 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.21 2k6s h ARG 27 CO 0.00 1.14 0.02 1.05 -1.51 0.00 0.00 179.97 180.68 2k6s h GLU 28 N -0.38 0.24 0.00 0.20 -0.00 -0.92 -2.25 114.58 111.48 2k6s h GLU 28 Ca -0.37 -0.07 0.00 0.00 -0.00 0.00 0.00 59.36 58.93 2k6s h GLU 28 Cb 1.72 -0.03 0.00 0.00 -0.00 0.00 0.00 28.75 30.44 2k6s h GLU 28 CO -0.02 0.43 0.00 -0.11 -0.00 0.00 0.00 179.01 179.31 2k6s n LEU 29 N -4.80 0.58 0.08 3.06 0.00 -0.70 -2.03 117.00 113.18 2k6s n LEU 29 Ca -0.05 0.72 -0.07 0.00 0.00 0.00 0.00 56.01 56.61 2k6s n LEU 29 Cb 0.18 -0.74 -0.05 0.00 0.00 0.00 0.00 43.42 42.81 2k6s n LEU 29 CO 0.35 -0.81 0.22 -0.33 0.00 0.00 0.00 177.39 176.82 2k6s h GLU 30 N 0.00 -0.28 -0.51 1.96 4.39 -1.45 -2.56 114.58 116.13 2k6s h GLU 30 Ca 0.00 0.02 0.13 0.00 0.34 0.00 0.00 59.36 59.85 2k6s h GLU 30 Cb 0.12 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.81 2k6s h GLU 30 CO 0.00 -0.03 0.36 -0.44 -1.16 0.00 0.00 179.01 177.74 2k6s h ASP 31 N -1.02 0.10 -0.36 1.42 3.32 -1.29 0.17 116.42 118.76 2k6s h ASP 31 Ca -0.03 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.98 2k6s h ASP 31 Cb 0.38 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 2k6s h ASP 31 CO 0.05 0.06 0.07 1.88 -1.72 0.00 0.00 179.24 179.57 2k6s h TYR 32 N 0.11 0.63 -0.41 4.55 0.05 -1.43 -2.98 116.97 117.50 2k6s h TYR 32 Ca 0.24 -0.09 -0.13 0.00 0.05 0.00 0.00 58.73 58.80 2k6s h TYR 32 Cb 0.81 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 38.36 2k6s h TYR 32 CO -0.00 0.64 -0.27 0.82 -1.05 0.00 0.00 178.16 178.30 2k6s h ILE 33 N 0.44 1.28 -1.23 -2.88 2.04 -0.58 -3.21 117.51 113.37 2k6s h ILE 33 Ca 0.11 -1.43 0.44 0.00 1.00 0.00 0.00 64.86 64.98 2k6s h ILE 33 Cb 0.35 1.30 -0.14 0.00 -0.74 0.00 0.00 36.82 37.59 2k6s h ILE 33 CO 0.01 0.48 0.77 0.47 0.00 0.00 0.00 178.15 179.88 2k6s n ASP 34 N -4.15 0.22 -0.32 1.72 8.00 0.40 -0.72 116.55 121.70 2k6s n ASP 34 Ca -0.02 1.34 0.31 0.00 0.71 0.00 0.00 54.79 57.13 2k6s n ASP 34 Cb 0.48 -0.66 0.57 0.00 -0.02 0.00 0.00 41.12 41.49 2k6s n ASP 34 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 2k6s h ASN 35 N 0.00 0.31 -0.15 -2.24 2.35 -1.63 0.89 115.58 115.11 2k6s h ASN 35 Ca 0.82 0.25 -0.02 0.00 -0.55 0.00 0.00 56.30 56.80 2k6s h ASN 35 Cb 2.56 0.27 -0.01 0.00 0.05 0.00 0.00 38.32 41.19 2k6s h ASN 35 CO -0.49 -0.41 0.02 -0.07 -1.65 0.00 0.00 177.43 174.83 2k6s h LEU 36 N 0.03 0.24 -5.31 1.61 3.38 -1.20 -3.31 115.31 110.76 2k6s h LEU 36 Ca 0.83 -0.28 -0.61 0.00 0.09 0.00 0.00 57.88 57.92 2k6s h LEU 36 Cb 2.16 -0.06 -0.41 0.00 0.09 0.00 0.00 40.66 42.44 2k6s h LEU 36 CO -0.76 0.46 -0.52 0.00 0.09 0.00 0.00 178.44 177.70 2k6s n LEU 37 N -4.79 4.73 0.00 1.67 -0.00 0.25 -5.03 117.00 113.83 2k6s n LEU 37 Ca -0.05 -5.63 -0.08 0.00 -0.00 0.00 0.00 56.01 50.24 2k6s n LEU 37 Cb 0.19 -0.60 0.02 0.00 -0.00 0.00 0.00 43.42 43.03 2k6s n LEU 37 CO 0.36 2.33 0.39 0.55 -0.00 0.00 0.00 177.39 181.02 2k6s n VAL 38 N -0.25 0.00 -2.32 1.47 3.14 0.19 -4.87 118.33 115.69 2k6s n VAL 38 Ca 0.33 -0.97 -0.43 0.00 -2.96 0.00 0.00 64.34 60.31 2k6s n VAL 38 Cb 0.40 0.86 -0.02 0.00 -1.06 0.00 0.00 33.84 34.01 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 -2.19 3.56 0.33 1.45 6.06 -1.26 -4.87 118.95 122.03 2k6s s ARG 39 Ca 0.16 0.97 -0.14 0.00 -2.50 0.00 0.00 55.73 54.22 2k6s s ARG 39 Cb -0.04 -4.04 -0.09 0.00 0.06 0.00 0.00 34.95 30.85 2k6s s ARG 39 CO 0.12 -1.59 0.74 0.14 -2.50 0.00 0.00 175.30 172.21 2k6s s VAL 40 N 5.53 4.70 0.00 7.11 -7.23 -1.26 -4.97 120.40 124.28 2k6s s VAL 40 Ca 0.63 0.89 0.00 0.00 -1.81 0.00 0.00 61.98 61.69 2k6s s VAL 40 Cb -0.14 -3.63 0.00 0.00 0.56 0.00 0.00 36.38 33.17 2k6s s VAL 40 CO 0.33 -0.23 0.37 1.15 -0.31 0.00 0.00 175.10 176.41