#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 0.99 -3.20 1.61 7.64 -1.26 -4.51 113.62 114.90 2k6s n SER 2 Ca 0.00 -0.89 -0.36 0.00 1.01 0.00 0.00 58.87 58.63 2k6s n SER 2 Cb 0.00 0.76 -0.04 0.00 -1.01 0.00 0.00 64.21 63.92 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 -1.33 8.08 0.00 -3.43 4.77 -1.26 -3.40 117.00 120.43 2k6s n LEU 3 Ca 0.05 -4.42 0.00 0.00 -0.03 0.00 0.00 56.01 51.62 2k6s n LEU 3 Cb 0.35 -1.46 0.00 0.00 -2.33 0.00 0.00 43.42 39.97 2k6s n LEU 3 CO 0.39 2.02 0.00 0.35 -1.33 0.00 0.00 177.39 178.82 2k6s n THR 4 N 2.71 0.00 -0.41 -5.08 -2.24 -1.26 -4.96 114.28 103.03 2k6s n THR 4 Ca 0.68 0.00 0.34 0.00 -2.27 0.00 0.00 64.05 62.81 2k6s n THR 4 Cb 0.32 0.00 0.62 0.00 -2.10 0.00 0.00 70.33 69.16 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 0.60 0.00 4.78 3.20 -1.94 0.83 116.97 124.45 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 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.12 2k6s h TYR 5 CO 0.00 -0.21 0.00 0.93 -1.64 0.00 0.00 178.16 177.24 2k6s h GLU 6 N 0.12 0.00 0.14 1.82 4.39 -1.94 -1.79 114.58 117.33 2k6s h GLU 6 Ca 0.80 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 60.31 2k6s h GLU 6 Cb 2.38 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 31.05 2k6s h GLU 6 CO -0.46 0.00 -0.86 1.49 -1.16 0.00 0.00 179.01 178.02 2k6s h GLU 7 N 0.00 0.30 -0.03 2.33 4.22 0.69 -3.25 114.58 118.83 2k6s h GLU 7 Ca 0.00 -0.51 -0.20 0.00 0.08 0.00 0.00 59.36 58.72 2k6s h GLU 7 Cb 0.57 0.19 -0.00 0.00 0.50 0.00 0.00 28.75 30.01 2k6s h GLU 7 CO 0.00 1.25 -0.85 -0.24 -2.18 0.00 0.00 179.01 176.99 2k6s h VAL 8 N -0.36 1.41 0.05 0.32 3.04 -1.51 -3.00 116.25 116.20 2k6s h VAL 8 Ca -0.15 -2.36 0.03 0.00 -1.01 0.00 0.00 66.70 63.21 2k6s h VAL 8 Cb 1.66 2.31 -0.05 0.00 -2.01 0.00 0.00 31.29 33.20 2k6s h VAL 8 CO 0.15 0.70 -0.36 -0.07 -1.01 0.00 0.00 177.57 176.98 2k6s h LEU 9 N 0.22 -1.08 -1.81 3.16 3.38 -1.45 0.37 115.31 118.11 2k6s h LEU 9 Ca -0.05 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2k6s h LEU 9 Cb 1.46 0.42 0.00 0.00 0.09 0.00 0.00 40.66 42.63 2k6s h LEU 9 CO 0.14 -0.43 0.00 1.56 0.09 0.00 0.00 178.44 179.80 2k6s h GLN 10 N -0.55 0.00 0.24 1.13 1.08 -1.64 -3.13 115.11 112.23 2k6s h GLN 10 Ca 0.04 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.23 2k6s h GLN 10 Cb 0.61 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.05 2k6s h GLN 10 CO -0.26 0.00 -0.11 1.49 -0.95 0.00 0.00 178.83 179.00 2k6s h GLU 11 N 0.00 -0.31 -0.68 1.46 4.81 -0.84 -3.19 114.58 115.83 2k6s h GLU 11 Ca 0.00 0.02 0.14 0.00 -0.13 0.00 0.00 59.36 59.40 2k6s h GLU 11 Cb 0.31 0.07 -0.12 0.00 0.63 0.00 0.00 28.75 29.64 2k6s h GLU 11 CO 0.00 0.02 -0.05 1.25 -0.73 0.00 0.00 179.01 179.50 2k6s h LEU 12 N -0.96 -0.41 0.24 1.64 7.12 -1.07 -1.79 115.31 120.09 2k6s h LEU 12 Ca -0.03 0.18 0.01 0.00 0.13 0.00 0.00 57.88 58.17 2k6s h LEU 12 Cb 0.47 0.34 -0.03 0.00 -0.53 0.00 0.00 40.66 40.91 2k6s h LEU 12 CO 0.05 -0.17 -0.39 1.62 -0.13 0.00 0.00 178.44 179.42 2k6s h VAL 13 N 0.07 0.20 -1.03 1.05 3.04 -1.67 -0.89 116.25 117.02 2k6s h VAL 13 Ca 0.35 0.00 0.27 0.00 -1.01 0.00 0.00 66.70 66.31 2k6s h VAL 13 Cb 0.58 0.20 -0.12 0.00 -2.01 0.00 0.00 31.29 29.95 2k6s h VAL 13 CO -0.62 0.00 0.63 0.50 -1.01 0.00 0.00 177.57 177.06 2k6s h LYS 14 N -0.70 0.47 -0.43 4.17 3.64 -1.34 0.45 116.57 122.83 2k6s h LYS 14 Ca -0.00 -0.03 -0.14 0.00 -1.27 0.00 0.00 60.65 59.21 2k6s h LYS 14 Cb 0.68 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 2k6s h LYS 14 CO -0.16 0.31 -0.27 0.45 -2.27 0.00 0.00 179.45 177.51 2k6s h HIS 15 N 0.48 1.07 -0.11 1.91 3.86 -0.65 -0.89 115.15 120.81 2k6s h HIS 15 Ca 0.65 -0.27 -0.09 0.00 -1.16 0.00 0.00 60.37 59.49 2k6s h HIS 15 Cb 1.41 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 29.64 2k6s h HIS 15 CO -0.01 1.08 -0.30 0.87 0.86 0.00 0.00 177.93 180.44 2k6s h LYS 16 N 0.78 0.40 0.84 2.45 1.57 0.72 -3.02 116.57 120.31 2k6s h LYS 16 Ca 0.09 -0.28 -0.04 0.00 -1.87 0.00 0.00 60.65 58.55 2k6s h LYS 16 Cb 0.84 0.04 0.01 0.00 0.08 0.00 0.00 32.23 33.20 2k6s h LYS 16 CO 0.07 0.89 -0.40 1.49 -0.57 0.00 0.00 179.45 180.94 2k6s h GLU 17 N -0.02 -1.08 -0.99 3.15 4.81 -0.27 -2.77 114.58 117.40 2k6s h GLU 17 Ca -0.00 0.07 0.34 0.00 -0.13 0.00 0.00 59.36 59.64 2k6s h GLU 17 Cb 0.91 0.25 -0.16 0.00 0.63 0.00 0.00 28.75 30.37 2k6s h GLU 17 CO 0.06 -0.72 0.48 -0.07 -0.73 0.00 0.00 179.01 178.03 2k6s h LEU 18 N -1.15 0.31 -1.05 1.64 3.38 -1.27 0.71 115.31 117.88 2k6s h LEU 18 Ca -0.11 0.22 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 2k6s h LEU 18 Cb 0.86 0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.81 2k6s h LEU 18 CO 0.19 -0.26 0.16 -0.07 0.09 0.00 0.00 178.44 178.54 2k6s h LEU 19 N 0.18 0.78 0.71 1.67 3.38 -1.38 -2.87 115.31 117.77 2k6s h LEU 19 Ca 0.74 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 58.55 2k6s h LEU 19 Cb 1.77 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 42.33 2k6s h LEU 19 CO -0.69 0.75 -0.34 0.03 0.09 0.00 0.00 178.44 178.27 2k6s h ARG 20 N 0.81 -0.92 -0.96 1.13 3.08 0.70 -3.16 114.38 115.06 2k6s h ARG 20 Ca 0.18 0.06 0.25 0.00 0.07 0.00 0.00 59.98 60.54 2k6s h ARG 20 Cb 0.26 0.21 -0.13 0.00 0.08 0.00 0.00 29.97 30.40 2k6s h ARG 20 CO -0.01 -0.59 0.50 -0.09 -1.07 0.00 0.00 179.97 178.71 2k6s h ARG 21 N -1.19 0.45 -0.44 0.04 2.43 -1.45 -0.29 114.38 113.93 2k6s h ARG 21 Ca -0.10 -0.03 0.08 0.00 -0.81 0.00 0.00 59.98 59.13 2k6s h ARG 21 Cb 0.76 -0.10 -0.07 0.00 -0.42 0.00 0.00 29.97 30.13 2k6s h ARG 21 CO 0.16 0.30 -0.03 -0.22 -1.51 0.00 0.00 179.97 178.67 2k6s h LYS 22 N 0.46 0.07 0.00 0.20 3.64 -1.48 0.56 116.57 120.03 2k6s h LYS 22 Ca 0.62 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 60.00 2k6s h LYS 22 Cb 1.22 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 2k6s h LYS 22 CO -0.52 0.05 0.00 -0.44 -2.27 0.00 0.00 179.45 176.27 2k6s h ASP 23 N 0.08 0.00 0.74 4.20 5.19 -1.06 -2.63 116.42 122.94 2k6s h ASP 23 Ca 0.22 0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 56.49 2k6s h ASP 23 Cb 0.32 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.81 2k6s h ASP 23 CO -0.39 0.00 -1.35 0.41 -3.12 0.00 0.00 179.24 174.79 2k6s n THR 24 N -2.89 1.07 0.08 0.35 -1.04 0.04 -3.13 114.28 108.76 2k6s n THR 24 Ca 0.02 -0.66 -0.20 0.00 -2.04 0.00 0.00 64.05 61.16 2k6s n THR 24 Cb 0.33 -0.66 -0.11 0.00 -1.82 0.00 0.00 70.33 68.07 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 0.92 0.00 -1.42 6.17 0.20 -0.86 115.15 120.16 2k6s h HIS 25 Ca -0.14 -0.56 0.00 0.00 0.71 0.00 0.00 60.37 60.39 2k6s h HIS 25 Cb 1.48 -0.08 0.00 0.00 2.52 0.00 0.00 27.41 31.32 2k6s h HIS 25 CO 0.00 1.40 0.00 -0.84 0.71 0.00 0.00 177.93 179.20 2k6s h ILE 26 N 0.28 0.00 0.14 6.26 3.07 -1.62 -2.15 117.51 123.49 2k6s h ILE 26 Ca -0.16 -0.60 -0.35 0.00 1.55 0.00 0.00 64.86 65.30 2k6s h ILE 26 Cb 1.83 1.56 -0.01 0.00 -0.27 0.00 0.00 36.82 39.93 2k6s h ILE 26 CO 0.22 0.00 -1.83 -0.09 -1.05 0.00 0.00 178.15 175.40 2k6s h ARG 27 N 0.00 0.30 -0.33 0.16 1.12 -1.48 -3.26 114.38 110.89 2k6s h ARG 27 Ca 0.00 -0.51 -0.16 0.00 -1.11 0.00 0.00 59.98 58.20 2k6s h ARG 27 Cb 0.66 0.19 -0.00 0.00 -0.01 0.00 0.00 29.97 30.81 2k6s h ARG 27 CO 0.00 1.20 -0.44 1.05 -3.11 0.00 0.00 179.97 178.66 2k6s h GLU 28 N 0.08 0.85 0.00 0.20 -0.00 -1.12 -2.59 114.58 112.00 2k6s h GLU 28 Ca -0.36 -0.47 0.00 0.00 -0.00 0.00 0.00 59.36 58.52 2k6s h GLU 28 Cb 2.06 0.03 0.00 0.00 -0.00 0.00 0.00 28.75 30.84 2k6s h GLU 28 CO 0.13 1.11 0.00 -0.11 -0.00 0.00 0.00 179.01 180.14 2k6s n LEU 29 N -4.03 0.00 0.10 3.06 0.00 -0.81 -2.15 117.00 113.16 2k6s n LEU 29 Ca -0.03 0.42 -0.03 0.00 0.00 0.00 0.00 56.01 56.37 2k6s n LEU 29 Cb 0.57 -0.42 0.01 0.00 0.00 0.00 0.00 43.42 43.58 2k6s n LEU 29 CO 0.48 -0.20 0.32 -0.33 0.00 0.00 0.00 177.39 177.67 2k6s h GLU 30 N 0.00 0.00 0.00 1.96 4.39 -1.50 -2.70 114.58 116.74 2k6s h GLU 30 Ca 0.00 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.54 2k6s h GLU 30 Cb 0.22 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.85 2k6s h GLU 30 CO 0.00 0.78 -1.03 0.22 -1.16 0.00 0.00 179.01 177.82 2k6s h ASP 31 N 0.00 0.00 -0.22 1.42 3.58 -1.51 -2.50 116.42 117.18 2k6s h ASP 31 Ca -0.01 0.00 -0.13 0.00 0.42 0.00 0.00 57.03 57.31 2k6s h ASP 31 Cb 1.48 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.52 2k6s h ASP 31 CO 0.10 0.66 -0.33 1.88 -2.88 0.00 0.00 179.24 178.67 2k6s h TYR 32 N 0.00 0.86 0.16 0.28 0.05 -1.48 -3.18 116.97 113.65 2k6s h TYR 32 Ca -0.09 -0.23 -0.26 0.00 0.05 0.00 0.00 58.73 58.20 2k6s h TYR 32 Cb 1.58 -0.19 0.03 0.00 1.01 0.00 0.00 36.73 39.16 2k6s h TYR 32 CO 0.00 0.97 -1.11 0.82 -1.05 0.00 0.00 178.16 177.78 2k6s h ILE 33 N 0.62 1.37 -1.45 -2.88 2.04 -1.56 -3.32 117.51 112.33 2k6s h ILE 33 Ca 0.07 -2.52 0.49 0.00 1.00 0.00 0.00 64.86 63.90 2k6s h ILE 33 Cb 0.86 2.96 -0.13 0.00 -0.74 0.00 0.00 36.82 39.76 2k6s h ILE 33 CO 0.07 0.74 0.95 0.44 0.00 0.00 0.00 178.15 180.35 2k6s h ASP 34 N -0.01 0.18 -0.99 1.72 5.19 -1.42 -0.05 116.42 121.03 2k6s h ASP 34 Ca -0.18 0.14 0.40 0.00 -0.62 0.00 0.00 57.03 56.76 2k6s h ASP 34 Cb 1.85 0.14 -0.18 0.00 0.18 0.00 0.00 39.33 41.32 2k6s h ASP 34 CO 0.21 -0.23 0.47 0.59 -3.12 0.00 0.00 179.24 177.16 2k6s n ASN 35 N -4.65 0.29 -0.02 6.45 3.02 -1.24 0.95 115.26 120.06 2k6s n ASN 35 Ca 0.41 1.64 -0.13 0.00 -0.03 0.00 0.00 54.58 56.48 2k6s n ASN 35 Cb 1.62 -0.78 -0.09 0.00 -0.61 0.00 0.00 39.78 39.92 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 0.07 -5.61 3.41 3.38 -1.29 -3.31 115.31 111.97 2k6s h LEU 36 Ca 0.81 -0.42 -0.68 0.00 0.09 0.00 0.00 57.88 57.68 2k6s h LEU 36 Cb 2.10 -0.02 -0.35 0.00 0.09 0.00 0.00 40.66 42.48 2k6s h LEU 36 CO -0.78 0.47 0.09 0.00 0.09 0.00 0.00 178.44 178.31 2k6s n LEU 37 N -4.84 5.78 0.00 1.67 -0.00 0.27 -4.98 117.00 114.89 2k6s n LEU 37 Ca -0.08 -5.50 -0.06 0.00 -0.00 0.00 0.00 56.01 50.37 2k6s n LEU 37 Cb 0.23 -0.82 0.02 0.00 -0.00 0.00 0.00 43.42 42.86 2k6s n LEU 37 CO 0.34 2.20 0.48 0.55 -0.00 0.00 0.00 177.39 180.97 2k6s n VAL 38 N -0.20 0.00 -2.84 1.47 3.14 0.23 -4.83 118.33 115.30 2k6s n VAL 38 Ca 0.39 -0.73 -0.41 0.00 -2.96 0.00 0.00 64.34 60.62 2k6s n VAL 38 Cb 0.35 0.77 -0.04 0.00 -1.06 0.00 0.00 33.84 33.86 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 -2.07 4.38 -0.11 1.45 6.06 -1.26 -4.86 118.95 122.54 2k6s s ARG 39 Ca 0.14 1.15 -0.06 0.00 -2.50 0.00 0.00 55.73 54.45 2k6s s ARG 39 Cb -0.04 -3.53 -0.04 0.00 0.06 0.00 0.00 34.95 31.40 2k6s s ARG 39 CO 0.09 -0.24 0.12 0.14 -2.50 0.00 0.00 175.30 172.91 2k6s s VAL 40 N 1.79 5.31 -2.69 7.11 -7.23 -1.26 -4.94 120.40 118.49 2k6s s VAL 40 Ca 0.42 0.14 0.22 0.00 -1.81 0.00 0.00 61.98 60.95 2k6s s VAL 40 Cb -0.18 -3.30 0.17 0.00 0.56 0.00 0.00 36.38 33.63 2k6s s VAL 40 CO 0.16 0.62 1.18 1.15 -0.31 0.00 0.00 175.10 177.90