#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 0.89 -4.01 1.61 7.64 -1.26 -4.74 113.62 113.75 2k6s n SER 2 Ca 0.00 -0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.53 2k6s n SER 2 Cb 0.00 0.89 -0.08 0.00 -1.01 0.00 0.00 64.21 64.00 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 -2.63 2.58 0.00 -3.43 -0.00 -1.26 -4.12 117.00 108.13 2k6s n LEU 3 Ca -0.28 -2.55 0.00 0.00 -0.00 0.00 0.00 56.01 53.18 2k6s n LEU 3 Cb 1.04 -1.23 0.00 0.00 -0.00 0.00 0.00 43.42 43.23 2k6s n LEU 3 CO 0.35 -1.73 0.00 0.35 -0.00 0.00 0.00 177.39 176.36 2k6s n THR 4 N 7.27 0.00 0.07 1.47 -2.24 -1.26 -5.03 114.28 114.55 2k6s n THR 4 Ca 0.46 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 62.08 2k6s n THR 4 Cb 0.44 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.58 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 0.75 0.00 4.78 3.20 -1.98 -3.18 116.97 120.54 2k6s h TYR 5 Ca 0.00 -0.44 0.00 0.00 3.14 0.00 0.00 58.73 61.43 2k6s h TYR 5 Cb 0.00 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 38.20 2k6s h TYR 5 CO 0.00 1.28 0.00 0.39 -1.64 0.00 0.00 178.16 178.19 2k6s n GLU 6 N -3.74 0.13 0.04 1.82 1.02 -1.26 -2.87 120.64 115.78 2k6s n GLU 6 Ca -0.09 0.32 -0.18 0.00 -0.02 0.00 0.00 57.16 57.20 2k6s n GLU 6 Cb 0.90 -1.73 -0.14 0.00 -0.02 0.00 0.00 31.44 30.44 2k6s n GLU 6 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 2k6s h GLU 7 N 0.00 0.24 -0.44 3.49 4.81 -1.70 -3.35 114.58 117.63 2k6s h GLU 7 Ca 0.00 -0.42 -0.05 0.00 -0.13 0.00 0.00 59.36 58.77 2k6s h GLU 7 Cb 0.38 0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.89 2k6s h GLU 7 CO 0.00 1.09 0.07 -0.24 -0.73 0.00 0.00 179.01 179.19 2k6s h VAL 8 N 0.07 1.21 -0.23 0.32 3.04 -1.52 -3.01 116.25 116.13 2k6s h VAL 8 Ca -0.31 -0.79 0.06 0.00 -1.01 0.00 0.00 66.70 64.65 2k6s h VAL 8 Cb 2.03 0.80 -0.07 0.00 -2.01 0.00 0.00 31.29 32.05 2k6s h VAL 8 CO 0.14 0.28 -0.23 -0.07 -1.01 0.00 0.00 177.57 176.68 2k6s h LEU 9 N 0.65 -0.73 -2.27 3.16 3.38 -1.67 -0.07 115.31 117.75 2k6s h LEU 9 Ca 0.14 0.13 0.04 0.00 0.09 0.00 0.00 57.88 58.29 2k6s h LEU 9 Cb 0.31 0.35 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 2k6s h LEU 9 CO 0.00 -0.27 0.21 1.56 0.09 0.00 0.00 178.44 180.04 2k6s h GLN 10 N -0.24 0.00 -0.01 1.13 1.08 -1.68 0.32 115.11 115.72 2k6s h GLN 10 Ca 0.13 0.00 -0.16 0.00 -1.45 0.00 0.00 58.65 57.17 2k6s h GLN 10 Cb 0.44 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.86 2k6s h GLN 10 CO -0.37 0.00 -0.73 0.93 -0.95 0.00 0.00 178.83 177.71 2k6s h GLU 11 N 0.00 0.07 0.10 1.46 5.08 -1.05 -2.02 114.58 118.21 2k6s h GLU 11 Ca 0.07 -0.06 -0.21 0.00 -1.00 0.00 0.00 59.36 58.16 2k6s h GLU 11 Cb 0.49 0.01 0.02 0.00 0.50 0.00 0.00 28.75 29.78 2k6s h GLU 11 CO -0.00 0.77 -0.90 1.25 -1.00 0.00 0.00 179.01 179.13 2k6s h LEU 12 N 0.04 0.61 -1.01 1.33 7.12 -0.75 -2.59 115.31 120.06 2k6s h LEU 12 Ca -0.01 -0.87 0.00 0.00 0.13 0.00 0.00 57.88 57.13 2k6s h LEU 12 Cb 1.30 -0.19 0.00 0.00 -0.53 0.00 0.00 40.66 41.23 2k6s h LEU 12 CO 0.10 1.42 0.00 1.62 -0.13 0.00 0.00 178.44 181.45 2k6s h VAL 13 N -0.11 0.00 0.06 1.05 3.04 -1.42 -1.55 116.25 117.32 2k6s h VAL 13 Ca -0.14 -0.37 -0.19 0.00 -1.01 0.00 0.00 66.70 65.00 2k6s h VAL 13 Cb 1.65 1.22 -0.01 0.00 -2.01 0.00 0.00 31.29 32.14 2k6s h VAL 13 CO 0.17 0.00 -0.96 0.50 -1.01 0.00 0.00 177.57 176.27 2k6s h LYS 14 N 0.00 0.13 -0.49 4.17 3.64 -1.38 -3.03 116.57 119.61 2k6s h LYS 14 Ca 0.00 -0.22 -0.04 0.00 -1.27 0.00 0.00 60.65 59.12 2k6s h LYS 14 Cb 0.44 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.32 2k6s h LYS 14 CO 0.00 1.11 0.13 0.45 -2.27 0.00 0.00 179.45 178.86 2k6s h HIS 15 N -0.65 0.75 0.30 1.91 3.86 -1.36 0.12 115.15 120.08 2k6s h HIS 15 Ca -0.22 -0.06 -0.01 0.00 -1.16 0.00 0.00 60.37 58.91 2k6s h HIS 15 Cb 1.45 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 29.70 2k6s h HIS 15 CO 0.16 0.63 -0.14 0.87 0.86 0.00 0.00 177.93 180.31 2k6s h LYS 16 N 0.72 -0.39 -0.32 2.45 1.57 -1.41 -1.91 116.57 117.28 2k6s h LYS 16 Ca 0.16 0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.88 2k6s h LYS 16 Cb 0.25 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 2k6s h LYS 16 CO -0.00 -0.10 -0.19 1.05 -0.57 0.00 0.00 179.45 179.64 2k6s h GLU 17 N -0.68 0.59 -0.49 3.15 4.11 -1.44 -2.23 114.58 117.59 2k6s h GLU 17 Ca -0.04 -0.21 0.01 0.00 0.07 0.00 0.00 59.36 59.19 2k6s h GLU 17 Cb 0.47 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 2k6s h GLU 17 CO 0.07 0.75 0.32 -0.07 0.07 0.00 0.00 179.01 180.14 2k6s h LEU 18 N 0.53 0.54 -1.19 3.06 3.38 -0.74 -1.47 115.31 119.42 2k6s h LEU 18 Ca 0.08 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 2k6s h LEU 18 Cb 0.62 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 2k6s h LEU 18 CO 0.04 0.39 -0.17 -0.07 0.09 0.00 0.00 178.44 178.73 2k6s h LEU 19 N 0.65 0.35 0.61 1.67 3.38 -1.15 -2.78 115.31 118.03 2k6s h LEU 19 Ca 0.18 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 2k6s h LEU 19 Cb -0.06 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 40.60 2k6s h LEU 19 CO -0.05 0.54 -0.29 0.03 0.09 0.00 0.00 178.44 178.76 2k6s h ARG 20 N 0.33 -0.79 -0.80 1.13 3.08 -0.73 -2.93 114.38 113.66 2k6s h ARG 20 Ca 0.06 0.05 0.17 0.00 0.07 0.00 0.00 59.98 60.34 2k6s h ARG 20 Cb 0.50 0.18 -0.11 0.00 0.08 0.00 0.00 29.97 30.62 2k6s h ARG 20 CO 0.03 -0.53 0.31 0.00 -1.07 0.00 0.00 179.97 178.71 2k6s h ARG 21 N -1.05 0.39 -0.12 0.04 3.08 -1.33 -1.61 114.38 113.78 2k6s h ARG 21 Ca -0.08 -0.02 0.05 0.00 0.07 0.00 0.00 59.98 59.99 2k6s h ARG 21 Cb 0.63 -0.09 -0.06 0.00 0.08 0.00 0.00 29.97 30.54 2k6s h ARG 21 CO 0.14 0.26 -0.27 -0.22 -1.07 0.00 0.00 179.97 178.80 2k6s h LYS 22 N 0.40 -0.34 0.00 0.04 3.64 -1.52 0.55 116.57 119.34 2k6s h LYS 22 Ca 0.47 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.87 2k6s h LYS 22 Cb 0.79 0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.69 2k6s h LYS 22 CO -0.47 -0.23 -0.00 -0.44 -2.27 0.00 0.00 179.45 176.04 2k6s h ASP 23 N -0.35 0.00 0.48 4.20 5.19 -1.13 -2.25 116.42 122.56 2k6s h ASP 23 Ca 0.10 0.00 -0.29 0.00 -0.62 0.00 0.00 57.03 56.21 2k6s h ASP 23 Cb 0.49 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.95 2k6s h ASP 23 CO -0.32 0.00 -1.73 0.41 -3.12 0.00 0.00 179.24 174.49 2k6s n THR 24 N -3.10 1.59 -0.06 0.35 -1.04 -0.23 -3.51 114.28 108.29 2k6s n THR 24 Ca -0.01 -0.80 -0.14 0.00 -2.04 0.00 0.00 64.05 61.06 2k6s n THR 24 Cb 0.19 -1.01 -0.07 0.00 -1.82 0.00 0.00 70.33 67.62 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 0.64 0.00 -1.42 6.17 0.41 0.31 115.15 121.27 2k6s h HIS 25 Ca -0.29 -0.22 -0.00 0.00 0.71 0.00 0.00 60.37 60.56 2k6s h HIS 25 Cb 2.01 -0.12 -0.00 0.00 2.52 0.00 0.00 27.41 31.82 2k6s h HIS 25 CO 0.00 0.94 -0.00 -0.84 0.71 0.00 0.00 177.93 178.73 2k6s h ILE 26 N 0.17 0.02 0.10 6.26 -0.00 -1.58 -0.14 117.51 122.33 2k6s h ILE 26 Ca 0.01 -0.34 -0.28 0.00 -0.00 0.00 0.00 64.86 64.26 2k6s h ILE 26 Cb 0.88 1.33 -0.01 0.00 -0.00 0.00 0.00 36.82 39.03 2k6s h ILE 26 CO 0.07 0.00 -1.44 -0.09 -0.00 0.00 0.00 178.15 176.69 2k6s h ARG 27 N 0.00 0.22 -0.16 0.16 2.43 -1.54 -3.20 114.38 112.28 2k6s h ARG 27 Ca -0.00 -0.37 -0.02 0.00 -0.81 0.00 0.00 59.98 58.78 2k6s h ARG 27 Cb 0.33 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 2k6s h ARG 27 CO 0.00 1.18 0.02 1.49 -1.51 0.00 0.00 179.97 181.15 2k6s h GLU 28 N -0.35 0.27 0.00 0.20 4.22 -0.71 -2.40 114.58 115.81 2k6s h GLU 28 Ca -0.32 -0.07 0.00 0.00 0.08 0.00 0.00 59.36 59.05 2k6s h GLU 28 Cb 1.73 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.95 2k6s h GLU 28 CO 0.03 0.45 0.00 -0.11 -2.18 0.00 0.00 179.01 177.20 2k6s n LEU 29 N -4.78 0.52 0.08 1.64 7.94 -0.08 -1.81 117.00 120.51 2k6s n LEU 29 Ca -0.05 0.69 -0.05 0.00 -1.11 0.00 0.00 56.01 55.49 2k6s n LEU 29 Cb 0.19 -0.68 -0.07 0.00 0.53 0.00 0.00 43.42 43.39 2k6s n LEU 29 CO 0.36 -0.72 0.22 -0.08 -1.11 0.00 0.00 177.39 176.06 2k6s h GLU 30 N 0.00 0.00 0.07 1.96 4.22 -1.42 -2.87 114.58 116.55 2k6s h GLU 30 Ca 0.00 0.00 -0.33 0.00 0.08 0.00 0.00 59.36 59.11 2k6s h GLU 30 Cb 0.16 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 2k6s h GLU 30 CO 0.00 0.89 -1.87 -3.47 -2.18 0.00 0.00 179.01 172.39 2k6s n ASP 31 N -3.37 1.60 -0.17 1.04 2.03 -0.75 -2.97 116.55 113.95 2k6s n ASP 31 Ca 0.00 0.30 -0.08 0.00 0.52 0.00 0.00 54.79 55.53 2k6s n ASP 31 Cb 0.88 -0.53 0.01 0.00 -0.72 0.00 0.00 41.12 40.75 2k6s n ASP 31 CO 0.00 0.00 0.00 0.22 -1.92 0.00 0.00 177.20 175.50 2k6s h TYR 32 N 0.04 0.72 -0.08 -0.67 3.20 -1.48 -2.83 116.97 115.87 2k6s h TYR 32 Ca -0.36 -0.05 -0.17 0.00 3.14 0.00 0.00 58.73 61.29 2k6s h TYR 32 Cb 2.03 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 40.07 2k6s h TYR 32 CO 0.05 0.60 -0.68 0.82 -1.64 0.00 0.00 178.16 177.31 2k6s h ILE 33 N 0.64 1.38 0.00 1.81 2.04 -1.67 -3.15 117.51 118.56 2k6s h ILE 33 Ca 0.16 -2.08 0.00 0.00 1.00 0.00 0.00 64.86 63.95 2k6s h ILE 33 Cb 0.17 2.06 0.00 0.00 -0.74 0.00 0.00 36.82 38.31 2k6s h ILE 33 CO -0.02 0.62 0.16 -0.67 0.00 0.00 0.00 178.15 178.25 2k6s n ASP 34 N -3.85 0.35 -0.29 1.72 2.03 -1.07 -3.22 116.55 112.22 2k6s n ASP 34 Ca -0.04 0.59 0.28 0.00 0.52 0.00 0.00 54.79 56.15 2k6s n ASP 34 Cb 0.67 -0.59 0.51 0.00 -0.72 0.00 0.00 41.12 40.99 2k6s n ASP 34 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2k6s n ASN 35 N -1.99 0.28 -0.12 1.67 3.02 -1.19 0.29 115.26 117.23 2k6s n ASN 35 Ca -0.01 1.39 -0.08 0.00 -0.03 0.00 0.00 54.58 55.85 2k6s n ASN 35 Cb 0.18 -0.68 -0.02 0.00 -0.61 0.00 0.00 39.78 38.65 2k6s n ASN 35 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2k6s h LEU 36 N 0.00 -1.13 -5.21 3.41 3.38 -1.87 -2.97 115.31 110.92 2k6s h LEU 36 Ca 0.73 0.19 -0.59 0.00 0.09 0.00 0.00 57.88 58.30 2k6s h LEU 36 Cb 1.97 0.52 -0.42 0.00 0.09 0.00 0.00 40.66 42.82 2k6s h LEU 36 CO -0.63 -0.33 -0.67 0.00 0.09 0.00 0.00 178.44 176.91 2k6s n LEU 37 N -5.42 4.43 0.00 1.67 -0.00 0.15 -5.05 117.00 112.78 2k6s n LEU 37 Ca 0.01 -5.61 -0.22 0.00 -0.00 0.00 0.00 56.01 50.19 2k6s n LEU 37 Cb 0.34 -0.51 -0.08 0.00 -0.00 0.00 0.00 43.42 43.17 2k6s n LEU 37 CO 0.07 2.34 -0.12 0.55 -0.00 0.00 0.00 177.39 180.23 2k6s n VAL 38 N -0.27 0.00 -1.97 1.47 3.14 -0.80 -5.02 118.33 114.89 2k6s n VAL 38 Ca 0.32 -2.50 -0.43 0.00 -2.96 0.00 0.00 64.34 58.77 2k6s n VAL 38 Cb 0.43 1.16 -0.03 0.00 -1.06 0.00 0.00 33.84 34.35 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 -3.45 3.67 0.21 1.45 6.06 -1.26 -4.95 118.95 120.68 2k6s s ARG 39 Ca 0.36 1.79 0.06 0.00 -2.50 0.00 0.00 55.73 55.43 2k6s s ARG 39 Cb 0.02 -4.12 -0.04 0.00 0.06 0.00 0.00 34.95 30.87 2k6s s ARG 39 CO 0.26 -1.46 0.21 0.14 -2.50 0.00 0.00 175.30 171.95 2k6s s VAL 40 N 5.83 4.68 0.00 7.11 -7.23 -1.26 -5.04 120.40 124.49 2k6s s VAL 40 Ca 0.79 -1.15 0.00 0.00 -1.81 0.00 0.00 61.98 59.80 2k6s s VAL 40 Cb -0.28 -3.47 0.00 0.00 0.56 0.00 0.00 36.38 33.19 2k6s s VAL 40 CO 0.32 -0.24 0.31 1.15 -0.31 0.00 0.00 175.10 176.33