#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 1.58 -2.09 1.61 7.64 -1.26 -4.14 113.62 116.96 2k6s n SER 2 Ca 0.00 -1.53 -0.21 0.00 1.01 0.00 0.00 58.87 58.13 2k6s n SER 2 Cb 0.00 -0.01 0.02 0.00 -1.01 0.00 0.00 64.21 63.21 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 0.23 6.60 0.00 -3.43 -0.00 -1.26 -3.53 117.00 115.62 2k6s n LEU 3 Ca 0.19 -3.60 0.00 0.00 -0.00 0.00 0.00 56.01 52.59 2k6s n LEU 3 Cb 0.36 -1.09 0.00 0.00 -0.00 0.00 0.00 43.42 42.69 2k6s n LEU 3 CO 0.16 1.38 0.00 0.35 -0.00 0.00 0.00 177.39 179.28 2k6s n THR 4 N 0.35 0.00 -0.45 1.47 -2.24 -1.26 -4.88 114.28 107.27 2k6s n THR 4 Ca 0.38 0.00 0.39 0.00 -2.27 0.00 0.00 64.05 62.55 2k6s n THR 4 Cb 0.58 0.00 0.72 0.00 -2.10 0.00 0.00 70.33 69.53 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 0.19 0.00 4.78 3.20 -1.92 1.10 116.97 124.32 2k6s h TYR 5 Ca 0.00 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.88 2k6s h TYR 5 Cb 0.00 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.22 2k6s h TYR 5 CO 0.00 -0.03 0.00 0.39 -1.64 0.00 0.00 178.16 176.88 2k6s n GLU 6 N -4.28 0.17 0.02 1.82 1.02 -1.26 -2.30 120.64 115.82 2k6s n GLU 6 Ca 0.33 0.28 -0.22 0.00 -0.02 0.00 0.00 57.16 57.53 2k6s n GLU 6 Cb 1.44 -1.75 -0.14 0.00 -0.02 0.00 0.00 31.44 30.97 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 0.28 -0.18 3.49 4.22 0.12 -3.34 114.58 119.17 2k6s h GLU 7 Ca 0.00 -0.48 -0.16 0.00 0.08 0.00 0.00 59.36 58.80 2k6s h GLU 7 Cb 0.49 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 2k6s h GLU 7 CO 0.00 1.23 -0.55 -0.24 -2.18 0.00 0.00 179.01 177.27 2k6s h VAL 8 N -0.16 1.33 -0.42 0.32 3.04 -1.51 -3.13 116.25 115.71 2k6s h VAL 8 Ca -0.34 -1.81 0.08 0.00 -1.01 0.00 0.00 66.70 63.62 2k6s h VAL 8 Cb 1.88 1.79 -0.07 0.00 -2.01 0.00 0.00 31.29 32.88 2k6s h VAL 8 CO 0.08 0.56 0.01 -0.07 -1.01 0.00 0.00 177.57 177.14 2k6s h LEU 9 N 0.41 -0.16 -1.69 3.16 3.38 -1.62 0.31 115.31 119.09 2k6s h LEU 9 Ca 0.01 0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 2k6s h LEU 9 Cb 1.09 0.17 -0.00 0.00 0.09 0.00 0.00 40.66 42.01 2k6s h LEU 9 CO 0.10 -0.04 -0.03 1.56 0.09 0.00 0.00 178.44 180.11 2k6s h GLN 10 N 0.11 0.00 0.07 1.13 1.08 -1.68 -2.66 115.11 113.17 2k6s h GLN 10 Ca 0.21 0.00 -0.29 0.00 -1.45 0.00 0.00 58.65 57.12 2k6s h GLN 10 Cb 0.29 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.70 2k6s h GLN 10 CO -0.34 0.03 -1.49 0.93 -0.95 0.00 0.00 178.83 177.02 2k6s h GLU 11 N 0.00 0.15 0.72 1.46 5.08 -0.96 -3.05 114.58 117.98 2k6s h GLU 11 Ca -0.00 -0.25 -0.04 0.00 -1.00 0.00 0.00 59.36 58.07 2k6s h GLU 11 Cb 0.45 0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.80 2k6s h GLU 11 CO 0.00 0.96 -0.34 1.25 -1.00 0.00 0.00 179.01 179.88 2k6s h LEU 12 N 0.04 -0.82 -0.09 1.33 7.12 -0.16 -1.89 115.31 120.85 2k6s h LEU 12 Ca -0.21 0.00 0.04 0.00 0.13 0.00 0.00 57.88 57.84 2k6s h LEU 12 Cb 1.97 0.21 -0.05 0.00 -0.53 0.00 0.00 40.66 42.26 2k6s h LEU 12 CO 0.13 -0.48 -0.19 1.62 -0.13 0.00 0.00 178.44 179.39 2k6s h VAL 13 N -1.15 0.52 -0.92 1.05 3.04 -1.65 -1.94 116.25 115.21 2k6s h VAL 13 Ca -0.10 0.00 0.18 0.00 -1.01 0.00 0.00 66.70 65.77 2k6s h VAL 13 Cb 0.76 0.52 -0.07 0.00 -2.01 0.00 0.00 31.29 30.49 2k6s h VAL 13 CO 0.16 0.00 0.59 0.50 -1.01 0.00 0.00 177.57 177.81 2k6s h LYS 14 N -0.26 0.55 -0.26 4.17 3.64 -1.55 0.31 116.57 123.16 2k6s h LYS 14 Ca 0.09 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.34 2k6s h LYS 14 Cb 0.39 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 2k6s h LYS 14 CO -0.24 0.36 -0.24 0.45 -2.27 0.00 0.00 179.45 177.51 2k6s h HIS 15 N 0.56 0.54 0.09 1.91 3.86 -0.57 -1.19 115.15 120.36 2k6s h HIS 15 Ca 0.48 -0.11 -0.24 0.00 -1.16 0.00 0.00 60.37 59.34 2k6s h HIS 15 Cb 0.98 -0.13 0.02 0.00 1.06 0.00 0.00 27.41 29.34 2k6s h HIS 15 CO -0.00 0.68 -1.01 0.87 0.86 0.00 0.00 177.93 179.34 2k6s h LYS 16 N 0.43 0.52 0.87 2.45 1.57 -0.36 -3.25 116.57 118.79 2k6s h LYS 16 Ca 0.07 -0.68 -0.04 0.00 -1.87 0.00 0.00 60.65 58.12 2k6s h LYS 16 Cb 0.65 0.22 0.01 0.00 0.08 0.00 0.00 32.23 33.19 2k6s h LYS 16 CO 0.05 1.29 -0.42 1.49 -0.57 0.00 0.00 179.45 181.28 2k6s h GLU 17 N 0.07 -1.13 -0.98 3.15 4.81 -0.42 -2.49 114.58 117.59 2k6s h GLU 17 Ca -0.15 0.08 0.34 0.00 -0.13 0.00 0.00 59.36 59.50 2k6s h GLU 17 Cb 1.72 0.26 -0.17 0.00 0.63 0.00 0.00 28.75 31.18 2k6s h GLU 17 CO 0.19 -0.75 0.35 -0.07 -0.73 0.00 0.00 179.01 178.00 2k6s h LEU 18 N -1.17 0.06 -0.89 1.64 3.38 -1.36 0.87 115.31 117.83 2k6s h LEU 18 Ca -0.12 0.25 -0.09 0.00 0.09 0.00 0.00 57.88 58.01 2k6s h LEU 18 Cb 0.90 0.32 -0.02 0.00 0.09 0.00 0.00 40.66 41.96 2k6s h LEU 18 CO 0.19 -0.34 -0.18 -0.07 0.09 0.00 0.00 178.44 178.13 2k6s h LEU 19 N 0.07 0.61 0.90 1.67 3.38 -1.55 -1.88 115.31 118.50 2k6s h LEU 19 Ca 0.72 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 58.46 2k6s h LEU 19 Cb 1.73 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 42.33 2k6s h LEU 19 CO -0.78 0.80 -0.43 0.03 0.09 0.00 0.00 178.44 178.14 2k6s h ARG 20 N 0.55 -1.16 -0.81 1.13 3.08 0.12 -1.99 114.38 115.31 2k6s h ARG 20 Ca 0.09 0.08 0.09 0.00 0.07 0.00 0.00 59.98 60.30 2k6s h ARG 20 Cb 0.62 0.26 -0.05 0.00 0.08 0.00 0.00 29.97 30.88 2k6s h ARG 20 CO 0.04 -0.77 0.53 -0.09 -1.07 0.00 0.00 179.97 178.61 2k6s h ARG 21 N -1.32 0.76 0.06 0.04 2.43 -1.44 -1.08 114.38 113.83 2k6s h ARG 21 Ca -0.12 -0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.02 2k6s h ARG 21 Cb 0.92 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 30.26 2k6s h ARG 21 CO 0.20 0.50 -0.25 -0.22 -1.51 0.00 0.00 179.97 178.70 2k6s h LYS 22 N 0.79 -0.40 0.00 0.20 3.64 -1.20 -0.04 116.57 119.56 2k6s h LYS 22 Ca 0.36 0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.75 2k6s h LYS 22 Cb 0.38 0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.29 2k6s h LYS 22 CO -0.14 -0.27 -0.08 0.22 -2.27 0.00 0.00 179.45 176.91 2k6s h ASP 23 N -0.42 0.00 0.51 4.20 1.82 -0.58 -3.05 116.42 118.91 2k6s h ASP 23 Ca 0.05 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.66 2k6s h ASP 23 Cb 0.47 0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.48 2k6s h ASP 23 CO -0.18 0.08 -0.25 0.74 -1.61 0.00 0.00 179.24 178.03 2k6s h THR 24 N 0.00 0.00 -0.93 2.25 2.02 0.19 -3.25 112.91 113.20 2k6s h THR 24 Ca -0.00 -0.21 0.17 0.00 0.77 0.00 0.00 66.41 67.14 2k6s h THR 24 Cb 0.19 0.00 -0.17 0.00 -1.74 0.00 0.00 68.15 66.43 2k6s h THR 24 CO 0.01 0.00 -0.28 0.45 0.37 0.00 0.00 175.52 176.07 2k6s h HIS 25 N -0.90 -0.68 -0.31 3.16 3.86 -1.11 0.61 115.15 119.77 2k6s h HIS 25 Ca -0.07 0.09 0.09 0.00 -1.16 0.00 0.00 60.37 59.32 2k6s h HIS 25 Cb 0.53 0.44 -0.01 0.00 1.06 0.00 0.00 27.41 29.43 2k6s h HIS 25 CO 0.05 -0.40 0.35 -0.84 0.86 0.00 0.00 177.93 177.94 2k6s h ILE 26 N -0.01 0.39 0.14 2.45 3.07 -1.63 0.21 117.51 122.14 2k6s h ILE 26 Ca 0.41 0.00 -0.36 0.00 1.55 0.00 0.00 64.86 66.46 2k6s h ILE 26 Cb 0.65 0.72 -0.01 0.00 -0.27 0.00 0.00 36.82 37.91 2k6s h ILE 26 CO -0.95 0.00 -1.91 -0.09 -1.05 0.00 0.00 178.15 174.15 2k6s h ARG 27 N 0.00 0.29 -0.39 0.16 1.12 0.14 -3.23 114.38 112.46 2k6s h ARG 27 Ca 0.15 -0.50 -0.15 0.00 -1.11 0.00 0.00 59.98 58.37 2k6s h ARG 27 Cb 0.84 0.19 -0.01 0.00 -0.01 0.00 0.00 29.97 30.98 2k6s h ARG 27 CO -0.00 1.22 -0.33 1.05 -3.11 0.00 0.00 179.97 178.80 2k6s h GLU 28 N 0.08 0.89 0.00 0.20 4.11 -0.18 -2.42 114.58 117.26 2k6s h GLU 28 Ca -0.39 -0.43 0.00 0.00 0.07 0.00 0.00 59.36 58.60 2k6s h GLU 28 Cb 2.05 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.30 2k6s h GLU 28 CO 0.12 1.08 0.00 -0.11 0.07 0.00 0.00 179.01 180.17 2k6s n LEU 29 N -4.07 0.00 0.09 3.06 7.94 0.64 -2.09 117.00 122.57 2k6s n LEU 29 Ca -0.01 0.46 -0.07 0.00 -1.11 0.00 0.00 56.01 55.27 2k6s n LEU 29 Cb 0.51 -0.46 0.01 0.00 0.53 0.00 0.00 43.42 44.01 2k6s n LEU 29 CO 0.47 -0.13 0.28 -0.33 -1.11 0.00 0.00 177.39 176.57 2k6s h GLU 30 N 0.00 0.13 0.03 1.96 4.39 -1.45 -2.31 114.58 117.33 2k6s h GLU 30 Ca 0.00 -0.14 -0.28 0.00 0.34 0.00 0.00 59.36 59.28 2k6s h GLU 30 Cb 0.33 0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.98 2k6s h GLU 30 CO 0.00 0.90 -1.56 0.22 -1.16 0.00 0.00 179.01 177.41 2k6s h ASP 31 N 0.07 0.09 -0.83 1.42 3.58 -1.49 -2.48 116.42 116.78 2k6s h ASP 31 Ca -0.03 -0.16 -0.01 0.00 0.42 0.00 0.00 57.03 57.25 2k6s h ASP 31 Cb 1.47 -0.03 -0.04 0.00 1.72 0.00 0.00 39.33 42.45 2k6s h ASP 31 CO 0.12 1.14 0.49 1.88 -2.88 0.00 0.00 179.24 179.99 2k6s h TYR 32 N 0.02 1.11 0.21 0.28 0.05 -1.41 -2.71 116.97 114.52 2k6s h TYR 32 Ca -0.23 -0.01 -0.32 0.00 0.05 0.00 0.00 58.73 58.21 2k6s h TYR 32 Cb 1.97 -0.36 0.03 0.00 1.01 0.00 0.00 36.73 39.37 2k6s h TYR 32 CO 0.02 0.75 -1.47 0.82 -1.05 0.00 0.00 178.16 177.23 2k6s h ILE 33 N 1.15 1.28 -0.96 -2.88 2.04 -1.52 -3.34 117.51 113.29 2k6s h ILE 33 Ca 0.30 -2.77 0.40 0.00 1.00 0.00 0.00 64.86 63.79 2k6s h ILE 33 Cb -0.02 2.98 -0.17 0.00 -0.74 0.00 0.00 36.82 38.87 2k6s h ILE 33 CO -0.05 0.84 0.52 0.47 0.00 0.00 0.00 178.15 179.92 2k6s n ASP 34 N -3.65 0.33 -0.26 1.72 8.00 -0.93 -1.04 116.55 120.72 2k6s n ASP 34 Ca -0.16 1.56 0.20 0.00 0.71 0.00 0.00 54.79 57.10 2k6s n ASP 34 Cb 1.08 -0.76 0.38 0.00 -0.02 0.00 0.00 41.12 41.80 2k6s n ASP 34 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2k6s n ASN 35 N -5.12 0.14 0.05 -2.24 3.02 -1.22 0.12 115.26 110.01 2k6s n ASN 35 Ca 0.36 1.33 -0.13 0.00 -0.03 0.00 0.00 54.58 56.11 2k6s n ASN 35 Cb 1.23 -0.59 -0.09 0.00 -0.61 0.00 0.00 39.78 39.73 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 -0.10 -5.60 3.41 3.38 -1.39 -3.30 115.31 111.71 2k6s h LEU 36 Ca 0.60 -0.26 -0.68 0.00 0.09 0.00 0.00 57.88 57.63 2k6s h LEU 36 Cb 1.49 0.03 -0.36 0.00 0.09 0.00 0.00 40.66 41.90 2k6s h LEU 36 CO -0.66 0.22 0.02 0.00 0.09 0.00 0.00 178.44 178.10 2k6s n LEU 37 N -5.00 5.64 0.00 1.67 -0.00 0.32 -5.00 117.00 114.63 2k6s n LEU 37 Ca -0.08 -5.54 -0.10 0.00 -0.00 0.00 0.00 56.01 50.29 2k6s n LEU 37 Cb 0.19 -0.79 0.00 0.00 -0.00 0.00 0.00 43.42 42.82 2k6s n LEU 37 CO 0.33 2.23 0.34 0.55 -0.00 0.00 0.00 177.39 180.83 2k6s n VAL 38 N -0.20 0.00 -2.90 1.47 3.14 0.16 -4.85 118.33 115.15 2k6s n VAL 38 Ca 0.38 -1.20 -0.43 0.00 -2.96 0.00 0.00 64.34 60.12 2k6s n VAL 38 Cb 0.35 0.93 -0.03 0.00 -1.06 0.00 0.00 33.84 34.03 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 -2.36 3.30 0.42 1.45 3.52 -1.26 -4.89 118.95 119.13 2k6s s ARG 39 Ca 0.19 -1.24 -0.24 0.00 -0.13 0.00 0.00 55.73 54.32 2k6s s ARG 39 Cb -0.03 -4.52 -0.08 0.00 -1.56 0.00 0.00 34.95 28.76 2k6s s ARG 39 CO 0.14 -1.78 1.11 0.14 -0.81 0.00 0.00 175.30 174.10 2k6s s VAL 40 N 3.43 3.42 -3.00 7.11 -7.23 -1.26 -5.06 120.40 117.82 2k6s s VAL 40 Ca 0.26 1.10 0.24 0.00 -1.81 0.00 0.00 61.98 61.77 2k6s s VAL 40 Cb -0.13 -3.58 0.19 0.00 0.56 0.00 0.00 36.38 33.43 2k6s s VAL 40 CO 0.02 0.02 1.26 1.15 -0.31 0.00 0.00 175.10 177.24