#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 0.27 -3.43 1.61 7.64 -1.26 -4.54 113.62 113.91 2k6s n SER 2 Ca 0.00 0.12 -0.36 0.00 1.01 0.00 0.00 58.87 59.64 2k6s n SER 2 Cb 0.00 0.88 -0.02 0.00 -1.01 0.00 0.00 64.21 64.06 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 -2.73 6.61 0.00 -3.43 -0.00 -1.26 -3.32 117.00 112.87 2k6s n LEU 3 Ca -0.21 -3.71 0.00 0.00 -0.00 0.00 0.00 56.01 52.08 2k6s n LEU 3 Cb 0.98 -1.40 0.00 0.00 -0.00 0.00 0.00 43.42 43.00 2k6s n LEU 3 CO 0.44 1.09 0.00 0.35 -0.00 0.00 0.00 177.39 179.26 2k6s n THR 4 N 4.51 0.00 -0.28 1.47 -2.24 -1.26 -4.95 114.28 111.52 2k6s n THR 4 Ca 0.59 0.00 0.17 0.00 -2.27 0.00 0.00 64.05 62.54 2k6s n THR 4 Cb 0.27 0.00 0.33 0.00 -2.10 0.00 0.00 70.33 68.83 2k6s n THR 4 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2k6s n TYR 5 N 0.00 0.68 0.41 4.78 9.36 -1.26 0.16 117.16 131.30 2k6s n TYR 5 Ca 0.00 0.99 0.13 0.00 3.32 0.00 0.00 57.90 62.34 2k6s n TYR 5 Cb 0.00 -1.22 0.49 0.00 -0.63 0.00 0.00 39.34 37.99 2k6s n TYR 5 CO 0.00 0.00 0.00 1.49 0.22 0.00 0.00 176.86 178.57 2k6s h GLU 6 N 0.00 0.00 0.02 2.98 4.81 -1.94 -2.91 114.58 117.54 2k6s h GLU 6 Ca 0.57 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.75 2k6s h GLU 6 Cb 1.33 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.71 2k6s h GLU 6 CO -0.72 0.00 -0.20 1.49 -0.73 0.00 0.00 179.01 178.84 2k6s h GLU 7 N 0.00 0.10 -0.18 1.92 4.22 0.16 -3.28 114.58 117.51 2k6s h GLU 7 Ca 0.00 -0.13 -0.07 0.00 0.08 0.00 0.00 59.36 59.24 2k6s h GLU 7 Cb 0.51 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 2k6s h GLU 7 CO 0.00 0.99 -0.17 -0.24 -2.18 0.00 0.00 179.01 177.40 2k6s h VAL 8 N -0.73 1.22 0.33 0.32 3.04 -1.53 -2.75 116.25 116.15 2k6s h VAL 8 Ca -0.03 -0.97 -0.00 0.00 -1.01 0.00 0.00 66.70 64.68 2k6s h VAL 8 Cb 1.08 1.27 -0.03 0.00 -2.01 0.00 0.00 31.29 31.60 2k6s h VAL 8 CO 0.04 0.30 -0.50 -0.07 -1.01 0.00 0.00 177.57 176.33 2k6s h LEU 9 N 0.29 -1.44 -2.30 3.16 3.38 -1.60 0.14 115.31 116.94 2k6s h LEU 9 Ca 0.05 0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 2k6s h LEU 9 Cb 0.48 0.50 -0.00 0.00 0.09 0.00 0.00 40.66 41.73 2k6s h LEU 9 CO 0.03 -0.61 -0.03 1.56 0.09 0.00 0.00 178.44 179.48 2k6s h GLN 10 N -0.89 0.00 0.00 1.13 1.08 -1.61 -1.12 115.11 113.71 2k6s h GLN 10 Ca -0.03 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 57.04 2k6s h GLN 10 Cb 0.82 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.23 2k6s h GLN 10 CO -0.16 0.03 -0.59 1.49 -0.95 0.00 0.00 178.83 178.65 2k6s h GLU 11 N 0.00 0.00 0.18 1.46 4.81 -0.90 -2.89 114.58 117.25 2k6s h GLU 11 Ca -0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 2k6s h GLU 11 Cb 0.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.60 2k6s h GLU 11 CO 0.00 0.59 -0.09 1.25 -0.73 0.00 0.00 179.01 180.04 2k6s h LEU 12 N 0.00 -0.21 0.25 1.64 7.12 0.54 -3.20 115.31 121.45 2k6s h LEU 12 Ca -0.01 -0.32 0.01 0.00 0.13 0.00 0.00 57.88 57.69 2k6s h LEU 12 Cb 1.31 0.05 -0.04 0.00 -0.53 0.00 0.00 40.66 41.46 2k6s h LEU 12 CO 0.08 0.33 -0.43 1.62 -0.13 0.00 0.00 178.44 179.91 2k6s h VAL 13 N -0.86 0.15 -0.96 1.05 3.04 -1.59 -2.53 116.25 114.54 2k6s h VAL 13 Ca -0.02 0.00 0.29 0.00 -1.01 0.00 0.00 66.70 65.95 2k6s h VAL 13 Cb 0.52 0.15 -0.17 0.00 -2.01 0.00 0.00 31.29 29.77 2k6s h VAL 13 CO 0.04 0.00 0.18 0.11 -1.01 0.00 0.00 177.57 176.89 2k6s h LYS 14 N -0.75 0.06 -0.52 4.17 1.57 -1.64 0.67 116.57 120.13 2k6s h LYS 14 Ca -0.01 -0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.70 2k6s h LYS 14 Cb 0.72 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.99 2k6s h LYS 14 CO -0.17 0.04 0.05 0.45 -0.57 0.00 0.00 179.45 179.25 2k6s h HIS 15 N 0.06 0.90 -0.19 -1.35 3.86 -1.45 0.14 115.15 117.12 2k6s h HIS 15 Ca 0.63 -0.12 -0.08 0.00 -1.16 0.00 0.00 60.37 59.64 2k6s h HIS 15 Cb 1.37 -0.25 -0.00 0.00 1.06 0.00 0.00 27.41 29.59 2k6s h HIS 15 CO -0.35 0.80 -0.19 0.87 0.86 0.00 0.00 177.93 179.92 2k6s h LYS 16 N 0.80 0.46 -0.17 2.45 1.57 0.58 -2.44 116.57 119.82 2k6s h LYS 16 Ca 0.16 -0.24 -0.16 0.00 -1.87 0.00 0.00 60.65 58.54 2k6s h LYS 16 Cb 0.41 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 2k6s h LYS 16 CO 0.01 0.81 -0.56 1.49 -0.57 0.00 0.00 179.45 180.64 2k6s h GLU 17 N 0.12 0.52 -0.71 3.15 4.22 -0.80 -2.69 114.58 118.38 2k6s h GLU 17 Ca 0.03 -0.33 -0.03 0.00 0.08 0.00 0.00 59.36 59.11 2k6s h GLU 17 Cb 0.73 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.99 2k6s h GLU 17 CO 0.05 0.94 0.32 -0.07 -2.18 0.00 0.00 179.01 178.06 2k6s h LEU 18 N 0.39 0.95 -1.30 1.64 3.38 -0.74 -1.87 115.31 117.76 2k6s h LEU 18 Ca 0.01 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.78 2k6s h LEU 18 Cb 1.10 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.59 2k6s h LEU 18 CO 0.10 0.83 -0.05 -0.07 0.09 0.00 0.00 178.44 179.34 2k6s h LEU 19 N 1.00 0.39 0.80 1.67 3.38 -1.36 -2.68 115.31 118.50 2k6s h LEU 19 Ca 0.24 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 2k6s h LEU 19 Cb 0.15 -0.10 0.01 0.00 0.09 0.00 0.00 40.66 40.81 2k6s h LEU 19 CO -0.03 0.49 -0.38 -0.09 0.09 0.00 0.00 178.44 178.52 2k6s h ARG 20 N 0.40 -1.04 -0.91 1.13 2.43 -1.01 -3.13 114.38 112.26 2k6s h ARG 20 Ca 0.08 0.07 0.19 0.00 -0.81 0.00 0.00 59.98 59.52 2k6s h ARG 20 Cb 0.34 0.24 -0.11 0.00 -0.42 0.00 0.00 29.97 30.02 2k6s h ARG 20 CO 0.01 -0.69 0.46 -0.09 -1.51 0.00 0.00 179.97 178.15 2k6s h ARG 21 N -1.19 0.53 -0.95 0.20 2.43 -1.39 -1.28 114.38 112.72 2k6s h ARG 21 Ca -0.11 -0.03 0.24 0.00 -0.81 0.00 0.00 59.98 59.27 2k6s h ARG 21 Cb 0.82 -0.12 -0.18 0.00 -0.42 0.00 0.00 29.97 30.08 2k6s h ARG 21 CO 0.18 0.35 -0.03 -0.22 -1.51 0.00 0.00 179.97 178.74 2k6s h LYS 22 N 0.54 0.02 0.04 0.20 3.64 -1.41 0.55 116.57 120.15 2k6s h LYS 22 Ca 0.54 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.92 2k6s h LYS 22 Cb 0.92 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.74 2k6s h LYS 22 CO -0.45 0.02 -0.02 -0.44 -2.27 0.00 0.00 179.45 176.29 2k6s h ASP 23 N 0.02 -0.05 -0.95 4.20 3.32 -1.32 -3.04 116.42 118.62 2k6s h ASP 23 Ca 0.54 -0.64 0.27 0.00 0.02 0.00 0.00 57.03 57.22 2k6s h ASP 23 Cb 1.05 0.01 -0.14 0.00 0.22 0.00 0.00 39.33 40.47 2k6s h ASP 23 CO -0.90 0.69 0.45 0.74 -1.72 0.00 0.00 179.24 178.50 2k6s h THR 24 N -0.87 0.37 0.03 0.35 2.02 -0.48 0.43 112.91 114.76 2k6s h THR 24 Ca -0.01 -0.12 -0.00 0.00 0.77 0.00 0.00 66.41 67.05 2k6s h THR 24 Cb 0.68 -0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.09 2k6s h THR 24 CO 0.01 0.06 -0.01 -0.74 0.37 0.00 0.00 175.52 175.21 2k6s h HIS 25 N 0.34 -0.04 0.00 3.16 -0.00 -0.07 0.81 115.15 119.35 2k6s h HIS 25 Ca 0.64 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 61.01 2k6s h HIS 25 Cb 1.33 0.01 0.00 0.00 -0.00 0.00 0.00 27.41 28.75 2k6s h HIS 25 CO -0.11 0.46 0.00 -0.84 -0.00 0.00 0.00 177.93 177.44 2k6s h ILE 26 N -0.55 0.00 0.06 6.26 -0.00 -1.15 0.07 117.51 122.21 2k6s h ILE 26 Ca -0.00 -0.19 -0.22 0.00 -0.00 0.00 0.00 64.86 64.45 2k6s h ILE 26 Cb 0.51 0.91 -0.01 0.00 -0.00 0.00 0.00 36.82 38.23 2k6s h ILE 26 CO 0.01 0.00 -1.15 -0.09 -0.00 0.00 0.00 178.15 176.92 2k6s h ARG 27 N 0.00 0.13 -0.27 0.16 1.12 -0.02 -3.10 114.38 112.40 2k6s h ARG 27 Ca 0.00 -0.23 -0.05 0.00 -1.11 0.00 0.00 59.98 58.59 2k6s h ARG 27 Cb 0.26 0.09 -0.01 0.00 -0.01 0.00 0.00 29.97 30.30 2k6s h ARG 27 CO 0.00 1.11 -0.01 1.05 -3.11 0.00 0.00 179.97 179.01 2k6s h GLU 28 N -0.61 0.48 0.00 0.20 -0.00 -0.54 -2.29 114.58 111.81 2k6s h GLU 28 Ca -0.27 -0.16 0.00 0.00 -0.00 0.00 0.00 59.36 58.93 2k6s h GLU 28 Cb 1.51 -0.04 0.00 0.00 -0.00 0.00 0.00 28.75 30.22 2k6s h GLU 28 CO -0.03 0.65 0.00 -0.11 -0.00 0.00 0.00 179.01 179.53 2k6s n LEU 29 N -4.59 0.47 0.15 3.06 7.94 -0.01 -1.64 117.00 122.37 2k6s n LEU 29 Ca -0.03 0.66 0.00 0.00 -1.11 0.00 0.00 56.01 55.53 2k6s n LEU 29 Cb 0.26 -0.64 0.21 0.00 0.53 0.00 0.00 43.42 43.79 2k6s n LEU 29 CO 0.38 -0.64 0.55 -0.08 -1.11 0.00 0.00 177.39 176.49 2k6s h GLU 30 N 0.00 0.00 0.05 1.96 4.22 -1.33 -2.44 114.58 117.04 2k6s h GLU 30 Ca 0.00 0.00 -0.27 0.00 0.08 0.00 0.00 59.36 59.17 2k6s h GLU 30 Cb 0.19 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 2k6s h GLU 30 CO 0.00 0.55 -1.36 0.22 -2.18 0.00 0.00 179.01 176.24 2k6s h ASP 31 N 0.00 0.16 -0.69 1.04 3.58 -1.35 -2.09 116.42 117.06 2k6s h ASP 31 Ca -0.01 -0.21 -0.03 0.00 0.42 0.00 0.00 57.03 57.20 2k6s h ASP 31 Cb 1.04 -0.05 -0.03 0.00 1.72 0.00 0.00 39.33 42.00 2k6s h ASP 31 CO 0.07 1.18 0.30 1.88 -2.88 0.00 0.00 179.24 179.79 2k6s h TYR 32 N 0.03 1.03 0.00 0.28 0.05 -1.40 -3.01 116.97 113.95 2k6s h TYR 32 Ca -0.16 -0.06 -0.12 0.00 0.05 0.00 0.00 58.73 58.43 2k6s h TYR 32 Cb 1.92 -0.31 0.01 0.00 1.01 0.00 0.00 36.73 39.36 2k6s h TYR 32 CO 0.03 0.78 -0.47 0.82 -1.05 0.00 0.00 178.16 178.27 2k6s h ILE 33 N 0.98 1.48 -1.45 -2.88 2.04 -1.54 -3.28 117.51 112.85 2k6s h ILE 33 Ca 0.23 -2.04 0.42 0.00 1.00 0.00 0.00 64.86 64.48 2k6s h ILE 33 Cb 0.17 2.67 -0.06 0.00 -0.74 0.00 0.00 36.82 38.86 2k6s h ILE 33 CO -0.02 0.58 1.16 -0.78 0.00 0.00 0.00 178.15 179.08 2k6s h ASP 34 N -0.26 0.00 -0.70 1.72 1.82 -1.24 -2.61 116.42 115.15 2k6s h ASP 34 Ca -0.06 0.00 0.25 0.00 -0.39 0.00 0.00 57.03 56.83 2k6s h ASP 34 Cb 1.20 0.00 -0.13 0.00 0.68 0.00 0.00 39.33 41.08 2k6s h ASP 34 CO 0.09 0.00 0.21 0.59 -1.61 0.00 0.00 179.24 178.52 2k6s n ASN 35 N -3.84 0.09 -0.09 2.28 3.02 -1.16 0.14 115.26 115.71 2k6s n ASN 35 Ca 0.32 1.17 -0.06 0.00 -0.03 0.00 0.00 54.58 55.98 2k6s n ASN 35 Cb 1.61 -0.50 -0.00 0.00 -0.61 0.00 0.00 39.78 40.28 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 -0.23 -5.15 3.41 3.38 -1.77 -3.10 115.31 111.86 2k6s h LEU 36 Ca 0.51 0.09 -0.59 0.00 0.09 0.00 0.00 57.88 57.98 2k6s h LEU 36 Cb 1.25 0.17 -0.42 0.00 0.09 0.00 0.00 40.66 41.75 2k6s h LEU 36 CO -0.59 -0.08 -0.66 0.00 0.09 0.00 0.00 178.44 177.20 2k6s n LEU 37 N -5.23 4.51 0.00 1.67 -0.00 0.37 -5.03 117.00 113.30 2k6s n LEU 37 Ca 0.00 -5.59 -0.11 0.00 -0.00 0.00 0.00 56.01 50.30 2k6s n LEU 37 Cb 0.17 -0.53 -0.01 0.00 -0.00 0.00 0.00 43.42 43.05 2k6s n LEU 37 CO 0.20 2.34 0.25 0.55 -0.00 0.00 0.00 177.39 180.73 2k6s n VAL 38 N -0.29 0.00 -2.29 1.47 3.14 -0.46 -4.97 118.33 114.93 2k6s n VAL 38 Ca 0.32 -1.37 -0.43 0.00 -2.96 0.00 0.00 64.34 59.91 2k6s n VAL 38 Cb 0.44 0.94 -0.02 0.00 -1.06 0.00 0.00 33.84 34.14 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 -2.52 3.82 0.10 1.45 6.06 -1.26 -4.89 118.95 121.72 2k6s s ARG 39 Ca 0.22 1.38 0.03 0.00 -2.50 0.00 0.00 55.73 54.87 2k6s s ARG 39 Cb -0.02 -3.96 -0.04 0.00 0.06 0.00 0.00 34.95 30.99 2k6s s ARG 39 CO 0.16 -1.24 0.11 0.14 -2.50 0.00 0.00 175.30 171.97 2k6s s VAL 40 N 4.84 4.63 0.00 7.11 -7.23 -1.26 -4.98 120.40 123.51 2k6s s VAL 40 Ca 0.63 -0.81 0.00 0.00 -1.81 0.00 0.00 61.98 59.99 2k6s s VAL 40 Cb -0.20 -3.27 0.00 0.00 0.56 0.00 0.00 36.38 33.47 2k6s s VAL 40 CO 0.26 0.05 0.22 1.15 -0.31 0.00 0.00 175.10 176.48