#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 0.74 -3.72 1.61 7.64 -1.26 -4.60 113.62 114.03 2k6s n SER 2 Ca 0.00 0.14 -0.42 0.00 1.01 0.00 0.00 58.87 59.60 2k6s n SER 2 Cb 0.00 0.30 -0.06 0.00 -1.01 0.00 0.00 64.21 63.43 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 -2.98 3.71 0.00 -3.43 -0.00 -1.26 -4.15 117.00 108.89 2k6s n LEU 3 Ca -0.29 -2.81 0.00 0.00 -0.00 0.00 0.00 56.01 52.91 2k6s n LEU 3 Cb 1.09 -1.13 0.00 0.00 -0.00 0.00 0.00 43.42 43.38 2k6s n LEU 3 CO 0.42 -0.67 0.00 0.35 -0.00 0.00 0.00 177.39 177.48 2k6s n THR 4 N 6.29 0.00 0.10 1.47 -2.24 -1.26 -5.04 114.28 113.61 2k6s n THR 4 Ca 0.49 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 62.11 2k6s n THR 4 Cb 0.41 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.51 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 0.52 0.00 4.78 3.20 -1.96 -3.16 116.97 120.36 2k6s h TYR 5 Ca 0.00 -0.38 0.00 0.00 3.14 0.00 0.00 58.73 61.49 2k6s h TYR 5 Cb 0.00 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.25 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 -3.56 0.05 -0.04 1.82 1.02 -1.26 -2.82 120.64 115.86 2k6s n GLU 6 Ca -0.09 0.25 -0.15 0.00 -0.02 0.00 0.00 57.16 57.16 2k6s n GLU 6 Cb 1.01 -1.59 -0.14 0.00 -0.02 0.00 0.00 31.44 30.70 2k6s n GLU 6 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2k6s n GLU 7 N -1.69 0.69 -0.04 3.49 0.00 -1.21 -4.10 120.64 117.78 2k6s n GLU 7 Ca 0.04 0.22 -0.09 0.00 0.00 0.00 0.00 57.16 57.33 2k6s n GLU 7 Cb 0.22 -1.69 0.06 0.00 0.00 0.00 0.00 31.44 30.03 2k6s n GLU 7 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.13 176.89 2k6s h VAL 8 N 0.03 1.29 -0.18 6.31 3.04 -1.50 -3.01 116.25 122.23 2k6s h VAL 8 Ca -0.41 -1.60 0.05 0.00 -1.01 0.00 0.00 66.70 63.73 2k6s h VAL 8 Cb 2.04 1.53 -0.05 0.00 -2.01 0.00 0.00 31.29 32.80 2k6s h VAL 8 CO 0.05 0.51 -0.14 -0.07 -1.01 0.00 0.00 177.57 176.91 2k6s h LEU 9 N 0.54 -0.45 -2.28 3.16 3.38 -1.70 0.10 115.31 118.07 2k6s h LEU 9 Ca 0.04 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 2k6s h LEU 9 Cb 0.95 0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.93 2k6s h LEU 9 CO 0.09 -0.18 -0.04 1.56 0.09 0.00 0.00 178.44 179.95 2k6s h GLN 10 N -0.15 0.00 0.49 1.13 1.08 -1.70 -2.97 115.11 112.99 2k6s h GLN 10 Ca 0.11 0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.29 2k6s h GLN 10 Cb 0.31 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.75 2k6s h GLN 10 CO -0.27 0.04 -0.24 1.49 -0.95 0.00 0.00 178.83 178.91 2k6s h GLU 11 N 0.00 -0.64 -0.79 1.46 4.81 -0.85 -3.14 114.58 115.44 2k6s h GLU 11 Ca -0.00 0.04 0.15 0.00 -0.13 0.00 0.00 59.36 59.42 2k6s h GLU 11 Cb 0.21 0.14 -0.10 0.00 0.63 0.00 0.00 28.75 29.64 2k6s h GLU 11 CO 0.01 -0.34 0.35 1.25 -0.73 0.00 0.00 179.01 179.54 2k6s h LEU 12 N -1.06 0.36 0.12 1.64 7.12 -1.28 -2.50 115.31 119.71 2k6s h LEU 12 Ca -0.07 0.11 0.02 0.00 0.13 0.00 0.00 57.88 58.07 2k6s h LEU 12 Cb 0.58 0.07 -0.04 0.00 -0.53 0.00 0.00 40.66 40.74 2k6s h LEU 12 CO 0.11 0.13 -0.39 1.62 -0.13 0.00 0.00 178.44 179.79 2k6s h VAL 13 N 0.49 0.20 -1.03 1.05 3.04 -1.58 -1.55 116.25 116.88 2k6s h VAL 13 Ca 0.44 0.00 0.27 0.00 -1.01 0.00 0.00 66.70 66.39 2k6s h VAL 13 Cb 0.66 0.20 -0.08 0.00 -2.01 0.00 0.00 31.29 30.06 2k6s h VAL 13 CO -0.40 0.00 0.68 0.11 -1.01 0.00 0.00 177.57 176.95 2k6s h LYS 14 N -0.62 0.31 -0.51 4.17 1.57 -1.40 0.18 116.57 120.28 2k6s h LYS 14 Ca 0.03 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.67 2k6s h LYS 14 Cb 0.65 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.87 2k6s h LYS 14 CO -0.23 0.21 -0.16 0.45 -0.57 0.00 0.00 179.45 179.15 2k6s h HIS 15 N 0.32 1.14 0.02 -1.35 3.86 -1.17 -0.68 115.15 117.29 2k6s h HIS 15 Ca 0.56 -0.25 -0.00 0.00 -1.16 0.00 0.00 60.37 59.52 2k6s h HIS 15 Cb 1.56 -0.27 0.00 0.00 1.06 0.00 0.00 27.41 29.76 2k6s h HIS 15 CO -0.00 1.08 -0.01 0.87 0.86 0.00 0.00 177.93 180.72 2k6s h LYS 16 N 0.88 -0.02 -0.24 2.45 1.57 -0.14 -2.91 116.57 118.17 2k6s h LYS 16 Ca 0.13 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.85 2k6s h LYS 16 Cb 0.73 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.03 2k6s h LYS 16 CO 0.06 0.48 -0.11 1.05 -0.57 0.00 0.00 179.45 180.36 2k6s h GLU 17 N -0.54 0.39 -0.88 3.15 4.11 -1.19 -1.43 114.58 118.19 2k6s h GLU 17 Ca -0.00 -0.10 -0.01 0.00 0.07 0.00 0.00 59.36 59.32 2k6s h GLU 17 Cb 0.52 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.68 2k6s h GLU 17 CO 0.00 0.50 0.49 -0.07 0.07 0.00 0.00 179.01 180.01 2k6s h LEU 18 N 0.36 1.09 -0.56 3.06 3.38 -1.14 -1.60 115.31 119.91 2k6s h LEU 18 Ca 0.07 -0.09 -0.16 0.00 0.09 0.00 0.00 57.88 57.79 2k6s h LEU 18 Cb 0.42 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2k6s h LEU 18 CO 0.02 0.87 -0.67 -0.07 0.09 0.00 0.00 178.44 178.68 2k6s h LEU 19 N 1.22 0.29 0.69 1.67 3.38 -1.24 -2.74 115.31 118.59 2k6s h LEU 19 Ca 0.31 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 2k6s h LEU 19 Cb 0.01 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 40.69 2k6s h LEU 19 CO -0.05 0.87 -0.33 0.03 0.09 0.00 0.00 178.44 179.05 2k6s h ARG 20 N 0.17 -0.90 -0.98 1.13 3.08 -0.63 -2.92 114.38 113.34 2k6s h ARG 20 Ca -0.02 0.06 0.08 0.00 0.07 0.00 0.00 59.98 60.17 2k6s h ARG 20 Cb 1.20 0.20 -0.07 0.00 0.08 0.00 0.00 29.97 31.39 2k6s h ARG 20 CO 0.10 -0.60 0.63 -0.09 -1.07 0.00 0.00 179.97 178.94 2k6s h ARG 21 N -1.12 1.06 -0.48 0.04 2.43 -1.42 -2.30 114.38 112.59 2k6s h ARG 21 Ca -0.10 -0.06 0.09 0.00 -0.81 0.00 0.00 59.98 59.11 2k6s h ARG 21 Cb 0.71 -0.24 -0.08 0.00 -0.42 0.00 0.00 29.97 29.94 2k6s h ARG 21 CO 0.16 0.70 -0.06 -0.22 -1.51 0.00 0.00 179.97 179.04 2k6s h LYS 22 N 1.09 0.05 0.00 0.20 3.64 -1.49 0.63 116.57 120.69 2k6s h LYS 22 Ca 0.43 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.81 2k6s h LYS 22 Cb 0.25 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 2k6s h LYS 22 CO -0.18 0.03 0.00 -0.44 -2.27 0.00 0.00 179.45 176.59 2k6s h ASP 23 N 0.05 0.00 0.57 4.20 5.19 -1.23 -2.77 116.42 122.43 2k6s h ASP 23 Ca 0.23 0.00 -0.24 0.00 -0.62 0.00 0.00 57.03 56.41 2k6s h ASP 23 Cb 0.36 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.83 2k6s h ASP 23 CO -0.45 0.00 -1.60 0.41 -3.12 0.00 0.00 179.24 174.49 2k6s n THR 24 N -3.02 1.42 0.06 0.35 -1.04 0.31 -3.42 114.28 108.92 2k6s n THR 24 Ca 0.01 -0.75 -0.08 0.00 -2.04 0.00 0.00 64.05 61.18 2k6s n THR 24 Cb 0.30 -0.89 0.05 0.00 -1.82 0.00 0.00 70.33 67.97 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 0.48 0.00 -1.42 6.17 0.30 -0.43 115.15 120.26 2k6s h HIS 25 Ca -0.24 -0.20 0.00 0.00 0.71 0.00 0.00 60.37 60.64 2k6s h HIS 25 Cb 1.83 -0.08 0.00 0.00 2.52 0.00 0.00 27.41 31.68 2k6s h HIS 25 CO 0.00 0.93 0.00 -0.84 0.71 0.00 0.00 177.93 178.73 2k6s h ILE 26 N 0.26 0.00 0.14 6.26 3.07 -1.64 -2.58 117.51 123.02 2k6s h ILE 26 Ca -0.02 -0.59 -0.34 0.00 1.55 0.00 0.00 64.86 65.46 2k6s h ILE 26 Cb 1.23 1.55 -0.01 0.00 -0.27 0.00 0.00 36.82 39.32 2k6s h ILE 26 CO 0.11 0.00 -1.80 -0.09 -1.05 0.00 0.00 178.15 175.33 2k6s h ARG 27 N 0.00 0.30 -0.41 0.16 1.12 -1.51 -3.17 114.38 110.87 2k6s h ARG 27 Ca 0.00 -0.51 -0.06 0.00 -1.11 0.00 0.00 59.98 58.30 2k6s h ARG 27 Cb 0.73 0.19 -0.02 0.00 -0.01 0.00 0.00 29.97 30.87 2k6s h ARG 27 CO 0.00 1.25 0.01 1.05 -3.11 0.00 0.00 179.97 179.17 2k6s h GLU 28 N -0.02 0.72 0.00 0.20 -0.00 -1.10 -2.23 114.58 112.16 2k6s h GLU 28 Ca -0.38 -0.22 0.00 0.00 -0.00 0.00 0.00 59.36 58.76 2k6s h GLU 28 Cb 1.99 -0.07 0.00 0.00 -0.00 0.00 0.00 28.75 30.67 2k6s h GLU 28 CO 0.10 0.79 0.00 -0.11 -0.00 0.00 0.00 179.01 179.79 2k6s n LEU 29 N -4.45 0.62 0.12 3.06 7.94 -0.97 -2.08 117.00 121.24 2k6s n LEU 29 Ca -0.01 0.67 -0.03 0.00 -1.11 0.00 0.00 56.01 55.53 2k6s n LEU 29 Cb 0.28 -0.60 0.13 0.00 0.53 0.00 0.00 43.42 43.77 2k6s n LEU 29 CO 0.40 -0.58 0.46 -0.33 -1.11 0.00 0.00 177.39 176.23 2k6s h GLU 30 N 0.00 0.08 0.00 1.96 4.39 -1.37 -2.36 114.58 117.28 2k6s h GLU 30 Ca 0.00 -0.06 -0.22 0.00 0.34 0.00 0.00 59.36 59.42 2k6s h GLU 30 Cb 0.32 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.95 2k6s h GLU 30 CO 0.00 0.70 -1.21 0.22 -1.16 0.00 0.00 179.01 177.55 2k6s h ASP 31 N 0.06 0.00 -0.71 1.42 1.82 -1.40 -2.67 116.42 114.93 2k6s h ASP 31 Ca -0.01 0.00 -0.07 0.00 -0.39 0.00 0.00 57.03 56.57 2k6s h ASP 31 Cb 1.15 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 41.13 2k6s h ASP 31 CO 0.09 0.88 0.19 1.88 -1.61 0.00 0.00 179.24 180.67 2k6s h TYR 32 N 0.00 1.18 -0.05 0.28 0.05 -1.35 -2.93 116.97 114.15 2k6s h TYR 32 Ca -0.12 -0.13 -0.22 0.00 0.05 0.00 0.00 58.73 58.31 2k6s h TYR 32 Cb 1.77 -0.33 0.01 0.00 1.01 0.00 0.00 36.73 39.19 2k6s h TYR 32 CO 0.00 0.95 -0.82 0.82 -1.05 0.00 0.00 178.16 178.06 2k6s h ILE 33 N 1.07 1.32 -1.44 -2.88 2.04 -1.51 -3.28 117.51 112.81 2k6s h ILE 33 Ca 0.22 -2.09 0.48 0.00 1.00 0.00 0.00 64.86 64.48 2k6s h ILE 33 Cb 0.35 2.29 -0.13 0.00 -0.74 0.00 0.00 36.82 38.60 2k6s h ILE 33 CO -0.00 0.64 0.94 0.44 0.00 0.00 0.00 178.15 180.17 2k6s h ASP 34 N 0.30 0.18 -1.00 1.72 3.32 -1.28 -0.46 116.42 119.21 2k6s h ASP 34 Ca -0.09 0.13 0.40 0.00 0.02 0.00 0.00 57.03 57.50 2k6s h ASP 34 Cb 1.48 0.14 -0.18 0.00 0.22 0.00 0.00 39.33 40.98 2k6s h ASP 34 CO 0.16 -0.22 0.50 0.78 -1.72 0.00 0.00 179.24 178.75 2k6s h ASN 35 N 0.02 0.26 -0.17 6.45 2.35 -1.62 0.95 115.58 123.82 2k6s h ASN 35 Ca 0.88 0.26 -0.02 0.00 -0.55 0.00 0.00 56.30 56.86 2k6s h ASN 35 Cb 2.90 0.28 -0.01 0.00 0.05 0.00 0.00 38.32 41.55 2k6s h ASN 35 CO -0.40 -0.42 0.01 -0.07 -1.65 0.00 0.00 177.43 174.90 2k6s h LEU 36 N 0.01 0.28 -5.36 1.61 3.38 -1.36 -3.30 115.31 110.58 2k6s h LEU 36 Ca 0.83 -0.28 -0.62 0.00 0.09 0.00 0.00 57.88 57.89 2k6s h LEU 36 Cb 2.14 -0.08 -0.40 0.00 0.09 0.00 0.00 40.66 42.42 2k6s h LEU 36 CO -0.78 0.50 -0.41 0.00 0.09 0.00 0.00 178.44 177.84 2k6s n LEU 37 N -4.75 4.92 0.00 1.67 -0.00 0.28 -5.02 117.00 114.09 2k6s n LEU 37 Ca -0.05 -5.61 -0.09 0.00 -0.00 0.00 0.00 56.01 50.26 2k6s n LEU 37 Cb 0.20 -0.64 0.01 0.00 -0.00 0.00 0.00 43.42 42.99 2k6s n LEU 37 CO 0.36 2.31 0.35 0.55 -0.00 0.00 0.00 177.39 180.96 2k6s n VAL 38 N -0.24 0.00 -2.59 1.47 3.14 0.17 -4.87 118.33 115.41 2k6s n VAL 38 Ca 0.34 -1.08 -0.43 0.00 -2.96 0.00 0.00 64.34 60.20 2k6s n VAL 38 Cb 0.39 0.89 -0.02 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 -2.28 3.74 0.37 1.45 6.06 -1.26 -4.89 118.95 122.14 2k6s s ARG 39 Ca 0.17 0.61 -0.08 0.00 -2.50 0.00 0.00 55.73 53.94 2k6s s ARG 39 Cb -0.03 -3.90 -0.06 0.00 0.06 0.00 0.00 34.95 31.02 2k6s s ARG 39 CO 0.13 -1.37 0.70 0.14 -2.50 0.00 0.00 175.30 172.40 2k6s s VAL 40 N 4.46 4.87 0.00 7.11 -7.23 -1.26 -5.00 120.40 123.35 2k6s s VAL 40 Ca 0.48 0.41 0.00 0.00 -1.81 0.00 0.00 61.98 61.06 2k6s s VAL 40 Cb -0.08 -3.74 0.00 0.00 0.56 0.00 0.00 36.38 33.12 2k6s s VAL 40 CO 0.31 -0.48 0.40 1.15 -0.31 0.00 0.00 175.10 176.18