#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 0.59 -3.49 1.61 7.64 -1.26 -4.50 113.62 114.21 2k6s n SER 2 Ca 0.00 0.15 -0.38 0.00 1.01 0.00 0.00 58.87 59.65 2k6s n SER 2 Cb 0.00 0.90 -0.02 0.00 -1.01 0.00 0.00 64.21 64.08 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 -2.44 6.95 0.00 -3.43 -0.00 -1.26 -3.30 117.00 113.52 2k6s n LEU 3 Ca -0.01 -3.89 0.00 0.00 -0.00 0.00 0.00 56.01 52.11 2k6s n LEU 3 Cb 0.53 -1.48 0.00 0.00 -0.00 0.00 0.00 43.42 42.48 2k6s n LEU 3 CO 0.42 1.21 0.00 0.35 -0.00 0.00 0.00 177.39 179.36 2k6s n THR 4 N 4.54 0.00 -0.32 1.47 -2.24 -1.26 -4.97 114.28 111.50 2k6s n THR 4 Ca 0.60 0.00 0.30 0.00 -2.27 0.00 0.00 64.05 62.68 2k6s n THR 4 Cb 0.30 0.00 0.56 0.00 -2.10 0.00 0.00 70.33 69.09 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 0.85 0.00 4.78 3.20 -1.93 0.86 116.97 124.73 2k6s h TYR 5 Ca 0.00 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.91 2k6s h TYR 5 Cb 0.00 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.07 2k6s h TYR 5 CO 0.00 -0.41 0.00 0.93 -1.64 0.00 0.00 178.16 177.04 2k6s h GLU 6 N 0.08 0.00 0.03 1.82 5.08 -1.94 -1.72 114.58 117.92 2k6s h GLU 6 Ca 0.82 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 59.08 2k6s h GLU 6 Cb 2.11 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.37 2k6s h GLU 6 CO -0.73 0.00 -0.44 1.49 -1.00 0.00 0.00 179.01 178.33 2k6s h GLU 7 N 0.00 0.24 -0.06 2.33 4.22 0.77 -3.18 114.58 118.90 2k6s h GLU 7 Ca 0.00 -0.30 -0.17 0.00 0.08 0.00 0.00 59.36 58.97 2k6s h GLU 7 Cb 0.56 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 2k6s h GLU 7 CO 0.00 1.05 -0.70 -0.24 -2.18 0.00 0.00 179.01 176.94 2k6s h VAL 8 N -0.44 1.40 0.19 0.32 3.04 -1.50 -2.99 116.25 116.28 2k6s h VAL 8 Ca -0.06 -2.15 0.01 0.00 -1.01 0.00 0.00 66.70 63.49 2k6s h VAL 8 Cb 1.23 2.12 -0.04 0.00 -2.01 0.00 0.00 31.29 32.59 2k6s h VAL 8 CO 0.08 0.64 -0.44 -0.07 -1.01 0.00 0.00 177.57 176.77 2k6s h LEU 9 N 0.21 -1.28 -2.17 3.16 3.38 -1.40 -0.98 115.31 116.23 2k6s h LEU 9 Ca -0.02 0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 2k6s h LEU 9 Cb 1.26 0.47 -0.00 0.00 0.09 0.00 0.00 40.66 42.47 2k6s h LEU 9 CO 0.11 -0.52 -0.02 1.56 0.09 0.00 0.00 178.44 179.66 2k6s h GLN 10 N -0.72 0.00 0.07 1.13 1.08 -1.62 -2.97 115.11 112.07 2k6s h GLN 10 Ca 0.00 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2k6s h GLN 10 Cb 0.72 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.15 2k6s h GLN 10 CO -0.21 0.02 -0.03 0.93 -0.95 0.00 0.00 178.83 178.58 2k6s h GLU 11 N 0.00 -0.09 -0.89 1.46 5.08 -1.03 -3.07 114.58 116.03 2k6s h GLU 11 Ca -0.00 0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.46 2k6s h GLU 11 Cb 0.27 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.48 2k6s h GLU 11 CO 0.00 0.20 0.57 1.25 -1.00 0.00 0.00 179.01 180.04 2k6s h LEU 12 N -0.39 0.80 -0.50 1.33 7.12 -1.27 0.74 115.31 123.14 2k6s h LEU 12 Ca -0.01 0.02 0.00 0.00 0.13 0.00 0.00 57.88 58.02 2k6s h LEU 12 Cb 0.34 -0.14 0.00 0.00 -0.53 0.00 0.00 40.66 40.32 2k6s h LEU 12 CO 0.02 0.47 0.00 0.55 -0.13 0.00 0.00 178.44 179.34 2k6s n VAL 13 N -4.53 1.07 -0.01 1.05 3.14 -1.17 -2.37 118.33 115.50 2k6s n VAL 13 Ca 0.15 0.35 -0.21 0.00 -2.96 0.00 0.00 64.34 61.67 2k6s n VAL 13 Cb 0.31 -1.24 -0.13 0.00 -1.06 0.00 0.00 33.84 31.71 2k6s n VAL 13 CO 0.00 0.00 0.00 0.11 -6.46 0.00 0.00 176.83 170.48 2k6s h LYS 14 N 0.00 0.19 0.18 1.45 1.57 -0.79 -3.30 116.57 115.87 2k6s h LYS 14 Ca 0.00 -0.32 -0.01 0.00 -1.87 0.00 0.00 60.65 58.45 2k6s h LYS 14 Cb 0.23 0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.66 2k6s h LYS 14 CO 0.00 1.15 -0.09 0.45 -0.57 0.00 0.00 179.45 180.40 2k6s h HIS 15 N -0.45 -0.22 -0.98 -1.35 3.86 -1.25 -0.57 115.15 114.19 2k6s h HIS 15 Ca -0.29 -0.01 0.20 0.00 -1.16 0.00 0.00 60.37 59.12 2k6s h HIS 15 Cb 1.65 0.07 -0.19 0.00 1.06 0.00 0.00 27.41 30.00 2k6s h HIS 15 CO 0.13 -0.14 -0.21 0.87 0.86 0.00 0.00 177.93 179.44 2k6s h LYS 16 N -0.24 0.00 -0.26 2.45 1.57 -1.69 0.33 116.57 118.73 2k6s h LYS 16 Ca -0.02 -0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.62 2k6s h LYS 16 Cb 0.18 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 2k6s h LYS 16 CO 0.04 0.00 -0.39 1.49 -0.57 0.00 0.00 179.45 180.02 2k6s h GLU 17 N 0.00 0.62 -0.37 3.15 4.81 -1.63 -1.50 114.58 119.66 2k6s h GLU 17 Ca 0.49 -0.31 -0.04 0.00 -0.13 0.00 0.00 59.36 59.36 2k6s h GLU 17 Cb 0.78 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.14 2k6s h GLU 17 CO -1.00 0.90 0.07 -0.07 -0.73 0.00 0.00 179.01 178.18 2k6s h LEU 18 N 0.51 0.57 -0.95 1.64 3.38 0.12 -1.48 115.31 119.11 2k6s h LEU 18 Ca 0.05 -0.25 -0.09 0.00 0.09 0.00 0.00 57.88 57.68 2k6s h LEU 18 Cb 0.90 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 2k6s h LEU 18 CO 0.08 0.68 -0.18 0.25 0.09 0.00 0.00 178.44 179.36 2k6s h LEU 19 N 0.44 0.56 0.84 1.67 6.46 -0.71 -2.55 115.31 122.03 2k6s h LEU 19 Ca 0.11 -0.17 -0.04 0.00 -0.12 0.00 0.00 57.88 57.66 2k6s h LEU 19 Cb 0.34 -0.15 0.01 0.00 -0.73 0.00 0.00 40.66 40.13 2k6s h LEU 19 CO 0.01 0.75 -0.40 0.03 -0.62 0.00 0.00 178.44 178.20 2k6s h ARG 20 N 0.51 -1.09 -0.96 1.25 3.08 -1.00 -3.07 114.38 113.10 2k6s h ARG 20 Ca 0.08 0.07 0.21 0.00 0.07 0.00 0.00 59.98 60.42 2k6s h ARG 20 Cb 0.60 0.25 -0.11 0.00 0.08 0.00 0.00 29.97 30.78 2k6s h ARG 20 CO 0.04 -0.73 0.54 -0.09 -1.07 0.00 0.00 179.97 178.67 2k6s h ARG 21 N -1.27 0.60 -0.90 0.04 2.43 -1.28 -0.62 114.38 113.39 2k6s h ARG 21 Ca -0.12 -0.04 0.24 0.00 -0.81 0.00 0.00 59.98 59.26 2k6s h ARG 21 Cb 0.87 -0.14 -0.15 0.00 -0.42 0.00 0.00 29.97 30.13 2k6s h ARG 21 CO 0.19 0.40 0.14 -0.22 -1.51 0.00 0.00 179.97 178.97 2k6s h LYS 22 N 0.62 0.12 0.43 0.20 3.64 -1.36 0.49 116.57 120.71 2k6s h LYS 22 Ca 0.58 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.93 2k6s h LYS 22 Cb 1.00 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.79 2k6s h LYS 22 CO -0.44 0.08 -0.21 -0.44 -2.27 0.00 0.00 179.45 176.17 2k6s h ASP 23 N 0.12 -0.49 -1.07 4.20 5.19 -1.15 -2.81 116.42 120.41 2k6s h ASP 23 Ca 0.56 -0.06 0.34 0.00 -0.62 0.00 0.00 57.03 57.25 2k6s h ASP 23 Cb 1.13 0.13 -0.14 0.00 0.18 0.00 0.00 39.33 40.63 2k6s h ASP 23 CO -0.74 -0.06 0.64 0.74 -3.12 0.00 0.00 179.24 176.69 2k6s h THR 24 N -1.09 0.29 -0.02 0.35 2.02 -0.85 0.25 112.91 113.86 2k6s h THR 24 Ca -0.06 -0.10 -0.01 0.00 0.77 0.00 0.00 66.41 67.02 2k6s h THR 24 Cb 0.52 -0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 66.91 2k6s h THR 24 CO 0.10 0.05 -0.01 -0.74 0.37 0.00 0.00 175.52 175.29 2k6s h HIS 25 N 0.28 0.05 0.00 3.16 6.17 -0.11 0.67 115.15 125.36 2k6s h HIS 25 Ca 0.74 -0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.80 2k6s h HIS 25 Cb 1.84 -0.01 0.00 0.00 2.52 0.00 0.00 27.41 31.76 2k6s h HIS 25 CO -0.01 0.46 0.00 -0.84 0.71 0.00 0.00 177.93 178.26 2k6s h ILE 26 N -0.39 0.00 0.14 6.26 3.07 -0.72 -1.88 117.51 123.99 2k6s h ILE 26 Ca 0.00 -0.27 -0.34 0.00 1.55 0.00 0.00 64.86 65.80 2k6s h ILE 26 Cb 0.45 1.08 -0.01 0.00 -0.27 0.00 0.00 36.82 38.08 2k6s h ILE 26 CO 0.00 0.00 -1.77 -0.09 -1.05 0.00 0.00 178.15 175.25 2k6s h ARG 27 N 0.00 0.29 -0.30 0.16 2.43 -0.39 -3.22 114.38 113.35 2k6s h ARG 27 Ca 0.00 -0.49 -0.11 0.00 -0.81 0.00 0.00 59.98 58.57 2k6s h ARG 27 Cb 0.34 0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 2k6s h ARG 27 CO 0.00 1.17 -0.22 1.05 -1.51 0.00 0.00 179.97 180.46 2k6s h GLU 28 N 0.08 0.69 0.00 0.20 4.11 -0.52 -2.66 114.58 116.47 2k6s h GLU 28 Ca -0.34 -0.33 0.00 0.00 0.07 0.00 0.00 59.36 58.76 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 0.14 0.94 0.00 1.28 0.07 0.00 0.00 179.01 181.44 2k6s n LEU 29 N -4.31 0.61 0.15 3.06 4.32 -0.74 -1.89 117.00 118.20 2k6s n LEU 29 Ca -0.03 0.68 -0.00 0.00 -0.02 0.00 0.00 56.01 56.64 2k6s n LEU 29 Cb 0.43 -0.64 0.21 0.00 -1.62 0.00 0.00 43.42 41.80 2k6s n LEU 29 CO 0.44 -0.65 0.54 -0.33 -1.22 0.00 0.00 177.39 176.16 2k6s h GLU 30 N 0.00 0.00 0.00 3.23 4.39 -1.48 -1.62 114.58 119.10 2k6s h GLU 30 Ca 0.00 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.51 2k6s h GLU 30 Cb 0.26 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.88 2k6s h GLU 30 CO 0.00 0.57 -1.10 -0.44 -1.16 0.00 0.00 179.01 176.88 2k6s h ASP 31 N 0.00 0.00 -0.24 1.42 3.32 -1.44 -2.56 116.42 116.91 2k6s h ASP 31 Ca -0.01 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.90 2k6s h ASP 31 Cb 1.03 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.58 2k6s h ASP 31 CO 0.07 0.78 -0.41 1.88 -1.72 0.00 0.00 179.24 179.84 2k6s h TYR 32 N 0.00 0.88 0.00 4.55 0.05 -1.38 -2.92 116.97 118.16 2k6s h TYR 32 Ca -0.10 -0.30 0.00 0.00 0.05 0.00 0.00 58.73 58.38 2k6s h TYR 32 Cb 1.68 -0.17 0.00 0.00 1.01 0.00 0.00 36.73 39.25 2k6s h TYR 32 CO 0.00 1.08 -0.00 -0.89 -1.05 0.00 0.00 178.16 177.30 2k6s n ILE 33 N -4.19 0.30 0.18 -2.88 5.41 -0.62 -3.29 119.36 114.26 2k6s n ILE 33 Ca -0.05 -0.14 0.03 0.00 1.00 0.00 0.00 62.75 63.59 2k6s n ILE 33 Cb 0.54 -0.54 0.35 0.00 -0.71 0.00 0.00 39.64 39.29 2k6s n ILE 33 CO 0.00 0.00 0.00 -0.78 0.00 0.00 0.00 176.55 175.77 2k6s h ASP 34 N 0.00 0.00 -1.12 4.38 1.82 -1.25 -3.02 116.42 117.23 2k6s h ASP 34 Ca 0.00 0.00 0.32 0.00 -0.39 0.00 0.00 57.03 56.96 2k6s h ASP 34 Cb 0.62 0.00 -0.11 0.00 0.68 0.00 0.00 39.33 40.52 2k6s h ASP 34 CO 0.00 0.40 0.71 0.78 -1.61 0.00 0.00 179.24 179.52 2k6s h ASN 35 N 0.00 0.39 -0.26 2.28 2.35 -1.59 0.67 115.58 119.42 2k6s h ASN 35 Ca -0.00 0.11 -0.07 0.00 -0.55 0.00 0.00 56.30 55.78 2k6s h ASN 35 Cb 0.76 0.05 -0.01 0.00 0.05 0.00 0.00 38.32 39.18 2k6s h ASN 35 CO 0.05 -0.01 -0.10 -0.07 -1.65 0.00 0.00 177.43 175.65 2k6s h LEU 36 N 0.30 0.54 -5.24 1.61 3.38 -1.78 -3.32 115.31 110.80 2k6s h LEU 36 Ca 0.67 -0.40 -0.60 0.00 0.09 0.00 0.00 57.88 57.65 2k6s h LEU 36 Cb 1.83 -0.15 -0.42 0.00 0.09 0.00 0.00 40.66 42.01 2k6s h LEU 36 CO -0.35 0.82 -0.60 0.00 0.09 0.00 0.00 178.44 178.39 2k6s n LEU 37 N -4.49 4.60 0.00 1.67 -0.00 0.15 -5.02 117.00 113.90 2k6s n LEU 37 Ca -0.04 -5.63 -0.07 0.00 -0.00 0.00 0.00 56.01 50.26 2k6s n LEU 37 Cb 0.34 -0.57 0.03 0.00 -0.00 0.00 0.00 43.42 43.22 2k6s n LEU 37 CO 0.40 2.34 0.48 0.55 -0.00 0.00 0.00 177.39 181.16 2k6s n VAL 38 N -0.27 0.00 -2.42 1.47 3.14 0.18 -4.88 118.33 115.56 2k6s n VAL 38 Ca 0.32 -0.84 -0.43 0.00 -2.96 0.00 0.00 64.34 60.43 2k6s n VAL 38 Cb 0.41 0.85 -0.02 0.00 -1.06 0.00 0.00 33.84 34.02 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 3.75 -0.03 1.45 6.06 -1.26 -4.86 118.95 121.99 2k6s s ARG 39 Ca 0.14 1.03 -0.22 0.00 -2.50 0.00 0.00 55.73 54.18 2k6s s ARG 39 Cb -0.04 -3.94 -0.05 0.00 0.06 0.00 0.00 34.95 30.98 2k6s s ARG 39 CO 0.10 -1.33 0.65 0.14 -2.50 0.00 0.00 175.30 172.35 2k6s s VAL 40 N 4.81 4.95 -2.05 7.11 -7.23 -1.26 -4.98 120.40 121.75 2k6s s VAL 40 Ca 0.57 1.35 0.16 0.00 -1.81 0.00 0.00 61.98 62.25 2k6s s VAL 40 Cb -0.14 -3.99 0.13 0.00 0.56 0.00 0.00 36.38 32.94 2k6s s VAL 40 CO 0.28 0.35 1.02 1.15 -0.31 0.00 0.00 175.10 177.59