#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2did s SER 2 N 0.00 5.79 0.05 1.61 1.04 -1.26 -5.04 113.70 115.90 2did s SER 2 Ca 0.00 2.18 -0.28 0.00 0.48 0.00 0.00 55.95 58.33 2did s SER 2 Cb 0.00 -2.58 0.09 0.00 0.10 0.00 0.00 66.02 63.63 2did s SER 2 CO 0.00 -1.17 0.99 -0.94 0.98 0.00 0.00 173.24 173.11 2did s SER 3 N -1.74 -0.23 0.00 7.02 1.04 -1.26 -5.09 113.70 113.44 2did s SER 3 Ca 0.72 -0.19 0.00 0.00 0.48 0.00 0.00 55.95 56.95 2did s SER 3 Cb -0.24 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.26 2did s SER 3 CO 0.27 -0.67 0.00 0.61 0.98 0.00 0.00 173.24 174.43 2did n GLY 4 N -0.36 0.00 2.95 7.32 0.00 -1.26 -5.11 105.19 108.73 2did n GLY 4 Ca -0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.65 2did n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2did s SER 5 N 0.00 4.77 0.11 1.61 1.04 -1.26 -4.95 113.70 115.02 2did s SER 5 Ca 0.00 -3.47 -0.21 0.00 0.48 0.00 0.00 55.95 52.75 2did s SER 5 Cb 0.00 -1.68 -0.08 0.00 0.10 0.00 0.00 66.02 64.36 2did s SER 5 CO 0.00 -0.17 1.74 -1.28 0.98 0.00 0.00 173.24 174.51 2did h SER 6 N 5.97 -0.01 0.00 7.02 0.87 -2.05 -3.46 113.55 121.88 2did h SER 6 Ca 0.05 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 2did h SER 6 Cb 0.82 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.81 2did h SER 6 CO 0.72 0.02 0.00 0.61 -0.53 0.00 0.00 176.83 177.64 2did n GLY 7 N -1.14 1.97 2.60 5.77 0.00 -1.26 -4.86 105.19 108.27 2did n GLY 7 Ca -0.04 -0.36 -0.27 0.00 0.00 0.00 0.00 46.02 45.36 2did n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2did s GLU 8 N 0.00 0.10 0.65 1.61 8.01 -1.26 -5.14 118.70 122.67 2did s GLU 8 Ca 0.00 -0.17 -0.17 0.00 0.01 0.00 0.00 54.97 54.64 2did s GLU 8 Cb 0.00 -1.73 -0.01 0.00 -4.31 0.00 0.00 34.13 28.08 2did s GLU 8 CO 0.00 -0.73 1.20 -1.12 0.01 0.00 0.00 175.26 174.62 2did s SER 9 N 2.12 4.85 -0.11 -0.19 0.01 -1.26 -4.99 113.70 114.13 2did s SER 9 Ca 0.03 2.34 -0.11 0.00 1.31 0.00 0.00 55.95 59.52 2did s SER 9 Cb -0.16 -2.59 0.03 0.00 0.21 0.00 0.00 66.02 63.51 2did s SER 9 CO -0.13 -1.82 0.32 -0.76 0.41 0.00 0.00 173.24 171.25 2did s LEU 10 N -4.52 0.79 0.20 2.44 1.43 -1.26 -2.82 118.68 114.95 2did s LEU 10 Ca 0.75 0.59 -0.32 0.00 -1.03 0.00 0.00 54.13 54.12 2did s LEU 10 Cb -0.29 1.10 -0.14 0.00 0.03 0.00 0.00 46.19 46.89 2did s LEU 10 CO 0.38 -0.14 1.34 0.00 0.23 0.00 0.00 176.35 178.16 2did n PRO 12 N 2.09 0.41 0.00 0.00 -0.04 -1.26 0.14 135.00 136.34 2did n PRO 12 Ca 0.14 0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 2did n PRO 12 Cb 0.28 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.24 2did n PRO 12 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2did n GLN 13 N -1.08 0.32 -0.01 0.54 -0.06 -1.26 -4.80 117.38 111.04 2did n GLN 13 Ca 0.10 0.00 0.11 0.00 -2.00 0.00 0.00 57.00 55.21 2did n GLN 13 Cb 0.07 -0.84 -0.16 0.00 -4.06 0.00 0.00 30.24 25.26 2did n GLN 13 CO 0.00 0.00 0.00 0.72 -0.20 0.00 0.00 177.06 177.58 2did n HIS 14 N -2.10 0.03 -3.85 3.69 8.25 -1.21 -4.99 115.22 115.04 2did n HIS 14 Ca 0.00 0.01 -0.28 0.00 -0.26 0.00 0.00 57.72 57.19 2did n HIS 14 Cb 0.34 -0.45 0.03 0.00 1.12 0.00 0.00 29.99 31.03 2did n HIS 14 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2did n HIS 15 N -2.17 -2.23 -4.36 4.41 8.25 0.38 -4.84 115.22 114.66 2did n HIS 15 Ca -0.03 0.89 -0.28 0.00 -0.26 0.00 0.00 57.72 58.05 2did n HIS 15 Cb 0.54 -4.13 -0.12 0.00 1.12 0.00 0.00 29.99 27.40 2did n HIS 15 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2did s GLU 16 N -6.45 1.64 -0.34 -0.41 0.41 -1.26 -4.64 118.70 107.64 2did s GLU 16 Ca 0.49 -1.35 -0.42 0.00 -0.41 0.00 0.00 54.97 53.28 2did s GLU 16 Cb -0.24 -1.98 -0.17 0.00 -1.78 0.00 0.00 34.13 29.96 2did s GLU 16 CO 0.82 0.44 1.73 0.00 -0.49 0.00 0.00 175.26 177.77 2did n ALA 17 N 0.55 -0.42 -2.67 5.21 0.00 -1.26 -1.63 120.51 120.29 2did n ALA 17 Ca -0.15 0.40 -0.43 0.00 0.00 0.00 0.00 53.44 53.26 2did n ALA 17 Cb 0.54 -2.16 -0.01 0.00 0.00 0.00 0.00 19.45 17.82 2did n ALA 17 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2did s LEU 18 N 3.59 4.10 -0.35 0.00 1.43 -1.13 -4.00 118.68 122.31 2did s LEU 18 Ca 1.01 -2.35 0.06 0.00 -1.03 0.00 0.00 54.13 51.82 2did s LEU 18 Cb -1.18 -2.53 0.48 0.00 0.03 0.00 0.00 46.19 43.00 2did s LEU 18 CO 0.69 -1.14 1.47 -1.20 0.23 0.00 0.00 176.35 176.41 2did n SER 19 N 7.82 4.06 -3.96 2.29 7.64 -1.25 -4.95 113.62 125.27 2did n SER 19 Ca 0.42 -3.79 -0.09 0.00 1.01 0.00 0.00 58.87 56.42 2did n SER 19 Cb 0.46 -0.60 -0.07 0.00 -1.01 0.00 0.00 64.21 62.99 2did n SER 19 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2did s LEU 20 N -3.46 1.08 -0.21 -3.43 1.43 -1.00 -2.92 118.68 110.17 2did s LEU 20 Ca 0.50 -0.87 -0.08 0.00 -1.03 0.00 0.00 54.13 52.65 2did s LEU 20 Cb 0.43 1.11 0.09 0.00 0.03 0.00 0.00 46.19 47.84 2did s LEU 20 CO 0.01 -0.86 0.46 0.12 0.23 0.00 0.00 176.35 176.31 2did s PHE 21 N -3.96 -0.84 0.53 0.29 2.19 -0.20 -1.42 117.98 114.58 2did s PHE 21 Ca 0.16 1.61 -0.21 0.00 0.33 0.00 0.00 56.93 58.82 2did s PHE 21 Cb 0.04 0.38 -0.05 0.00 -1.31 0.00 0.00 43.02 42.07 2did s PHE 21 CO -0.01 -0.48 1.23 0.00 1.83 0.00 0.00 175.22 177.78 2did n TYR 23 N -1.07 0.33 0.08 0.00 9.36 -0.52 -2.58 117.16 122.76 2did n TYR 23 Ca 0.11 0.07 -0.11 0.00 3.32 0.00 0.00 57.90 61.29 2did n TYR 23 Cb 0.48 -1.04 -0.06 0.00 -0.63 0.00 0.00 39.34 38.09 2did n TYR 23 CO 0.00 0.00 0.00 1.49 0.22 0.00 0.00 176.86 178.57 2did h GLU 24 N 0.02 0.23 0.00 2.98 4.81 -1.94 -3.28 114.58 117.40 2did h GLU 24 Ca -0.53 -0.29 -0.10 0.00 -0.13 0.00 0.00 59.36 58.30 2did h GLU 24 Cb 1.96 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 31.42 2did h GLU 24 CO -0.03 1.05 -1.41 -0.25 -0.73 0.00 0.00 179.01 177.64 2did n ASP 25 N -3.61 0.70 -2.66 1.04 8.00 -1.26 -4.98 116.55 113.79 2did n ASP 25 Ca -0.05 0.29 -0.19 0.00 0.71 0.00 0.00 54.79 55.55 2did n ASP 25 Cb 0.88 0.53 0.03 0.00 -0.02 0.00 0.00 41.12 42.55 2did n ASP 25 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2did n GLN 26 N -2.73 -4.38 -4.22 -1.24 1.13 -1.07 -5.00 117.38 99.87 2did n GLN 26 Ca -0.07 0.79 -0.19 0.00 -1.94 0.00 0.00 57.00 55.59 2did n GLN 26 Cb 0.73 -5.40 -0.12 0.00 0.11 0.00 0.00 30.24 25.56 2did n GLN 26 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 2did s GLU 27 N -5.57 0.96 -0.16 -1.09 2.02 -1.22 -4.94 118.70 108.70 2did s GLU 27 Ca 0.27 -1.11 -0.29 0.00 0.02 0.00 0.00 54.97 53.86 2did s GLU 27 Cb -0.12 -0.95 -0.01 0.00 0.10 0.00 0.00 34.13 33.15 2did s GLU 27 CO 0.34 0.20 1.08 0.00 0.02 0.00 0.00 175.26 176.90 2did s ALA 28 N -1.64 3.56 0.45 5.21 0.00 -1.26 0.27 121.76 128.34 2did s ALA 28 Ca 0.04 0.34 0.05 0.00 0.00 0.00 0.00 51.96 52.39 2did s ALA 28 Cb -0.08 -3.52 -0.05 0.00 0.00 0.00 0.00 23.12 19.47 2did s ALA 28 CO 0.03 -0.88 0.01 0.14 0.00 0.00 0.00 175.76 175.06 2did s VAL 29 N 2.71 1.61 0.57 0.00 -7.23 -0.51 -4.91 120.40 112.65 2did s VAL 29 Ca 0.48 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.72 2did s VAL 29 Cb -0.18 -2.65 0.06 0.00 0.56 0.00 0.00 36.38 34.17 2did s VAL 29 CO 0.13 0.00 0.51 0.00 -0.31 0.00 0.00 175.10 175.43 2did h LEU 31 N 0.00 -0.43 -0.56 0.00 6.46 -1.88 -2.61 115.31 116.30 2did h LEU 31 Ca -0.34 0.05 0.11 0.00 -0.12 0.00 0.00 57.88 57.57 2did h LEU 31 Cb 1.30 0.16 -0.09 0.00 -0.73 0.00 0.00 40.66 41.30 2did h LEU 31 CO 0.53 -0.24 0.05 0.40 -0.62 0.00 0.00 178.44 178.56 2did h ILE 32 N -0.33 0.61 -0.47 4.05 1.08 -1.96 -1.60 117.51 118.89 2did h ILE 32 Ca 0.01 -0.06 0.09 0.00 -0.39 0.00 0.00 64.86 64.52 2did h ILE 32 Cb 0.33 0.42 -0.09 0.00 -3.07 0.00 0.00 36.82 34.41 2did h ILE 32 CO -0.07 0.03 -0.08 0.00 -0.69 0.00 0.00 178.15 177.34 2did h ALA 34 N 1.45 -0.46 -0.60 0.00 0.00 -0.93 0.57 119.26 119.29 2did h ALA 34 Ca 0.23 0.10 -0.35 0.00 0.00 0.00 0.00 54.91 54.88 2did h ALA 34 Cb 0.35 1.31 -0.18 0.00 0.00 0.00 0.00 17.79 19.27 2did h ALA 34 CO -0.46 -0.81 0.45 0.44 0.00 0.00 0.00 179.25 178.88 2did n ILE 35 N -4.88 2.62 -4.01 0.00 -0.00 -0.97 -4.18 119.36 107.95 2did n ILE 35 Ca 0.02 -1.51 -0.31 0.00 -0.00 0.00 0.00 62.75 60.95 2did n ILE 35 Cb 0.22 -0.95 -0.06 0.00 -0.00 0.00 0.00 39.64 38.85 2did n ILE 35 CO 0.00 0.00 0.00 -0.55 -0.00 0.00 0.00 176.55 176.00 2did s SER 36 N -0.35 5.84 0.29 7.28 0.15 0.20 -4.94 113.70 122.17 2did s SER 36 Ca 0.36 0.10 0.04 0.00 0.70 0.00 0.00 55.95 57.16 2did s SER 36 Cb 0.30 -1.67 0.72 0.00 -1.71 0.00 0.00 66.02 63.66 2did s SER 36 CO 0.03 0.18 1.72 1.12 1.20 0.00 0.00 173.24 177.49 2did h HIS 37 N 3.29 0.76 0.40 3.44 2.07 -1.90 0.63 115.15 123.84 2did h HIS 37 Ca -0.46 0.04 -0.02 0.00 -2.85 0.00 0.00 60.37 57.08 2did h HIS 37 Cb 1.16 -0.19 -0.01 0.00 2.57 0.00 0.00 27.41 30.94 2did h HIS 37 CO 0.61 0.03 -0.29 1.15 -3.07 0.00 0.00 177.93 176.36 2did h THR 38 N 0.49 0.00 -1.23 6.12 2.02 -1.95 -3.07 112.91 115.29 2did h THR 38 Ca 0.56 0.00 -0.69 0.00 0.77 0.00 0.00 66.41 67.05 2did h THR 38 Cb 1.00 0.00 -0.28 0.00 -1.74 0.00 0.00 68.15 67.13 2did h THR 38 CO -0.48 0.00 0.90 1.41 0.37 0.00 0.00 175.52 177.72 2did n HIS 39 N -4.13 3.09 0.09 3.16 -0.00 -0.91 -4.62 115.22 111.89 2did n HIS 39 Ca -0.08 -2.80 -0.08 0.00 -0.00 0.00 0.00 57.72 54.75 2did n HIS 39 Cb 0.28 -1.37 -0.05 0.00 -0.00 0.00 0.00 29.99 28.85 2did n HIS 39 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.34 176.25 2did h ARG 40 N 2.24 -0.31 -1.59 -0.41 9.65 0.36 -3.31 114.38 121.01 2did h ARG 40 Ca 0.58 0.02 -0.45 0.00 -1.10 0.00 0.00 59.98 59.04 2did h ARG 40 Cb 0.62 0.07 -0.18 0.00 -1.39 0.00 0.00 29.97 29.09 2did h ARG 40 CO 1.52 -0.02 0.51 0.00 2.80 0.00 0.00 179.97 184.78 2did n ALA 41 N -2.67 5.75 -2.50 2.80 0.00 -1.26 -4.91 120.51 117.73 2did n ALA 41 Ca -0.06 -2.45 -0.24 0.00 0.00 0.00 0.00 53.44 50.69 2did n ALA 41 Cb 0.22 -1.68 -0.10 0.00 0.00 0.00 0.00 19.45 17.88 2did n ALA 41 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2did s HIS 42 N -2.21 2.25 -0.55 0.00 3.76 -1.25 -5.11 115.29 112.18 2did s HIS 42 Ca 0.45 -0.51 -0.08 0.00 -0.15 0.00 0.00 55.06 54.77 2did s HIS 42 Cb 0.33 -1.22 0.14 0.00 1.11 0.00 0.00 32.58 32.95 2did s HIS 42 CO -0.09 0.54 0.41 0.99 -0.85 0.00 0.00 174.74 175.74 2did s THR 43 N -2.69 4.18 -0.05 1.30 2.01 -1.26 -5.06 115.64 114.07 2did s THR 43 Ca 0.31 -2.20 -0.11 0.00 0.31 0.00 0.00 61.69 60.00 2did s THR 43 Cb 0.01 -3.73 -0.05 0.00 0.01 0.00 0.00 72.50 68.74 2did s THR 43 CO 0.15 -0.83 0.29 -0.69 -0.69 0.00 0.00 174.62 172.85 2did s VAL 44 N 0.82 5.25 0.00 3.82 1.01 -1.26 -1.44 120.40 128.59 2did s VAL 44 Ca 0.10 0.52 0.04 0.00 0.00 0.00 0.00 61.98 62.64 2did s VAL 44 Cb -0.22 -3.57 -0.03 0.00 0.00 0.00 0.00 36.38 32.56 2did s VAL 44 CO -0.03 0.57 -0.09 0.68 0.00 0.00 0.00 175.10 176.23 2did s VAL 45 N -1.09 3.48 0.14 2.92 -7.23 0.40 -4.92 120.40 114.11 2did s VAL 45 Ca 0.21 -0.81 -0.31 0.00 -1.81 0.00 0.00 61.98 59.26 2did s VAL 45 Cb -0.14 -2.49 -0.08 0.00 0.56 0.00 0.00 36.38 34.23 2did s VAL 45 CO 0.10 0.41 1.34 -2.16 -0.31 0.00 0.00 175.10 174.48 2did s PRO 46 N -1.33 4.36 0.22 4.82 0.04 -1.26 -1.03 135.00 140.81 2did s PRO 46 Ca 0.16 2.04 -0.00 0.00 0.04 0.00 0.00 61.00 63.23 2did s PRO 46 Cb -0.11 -3.24 -0.04 0.00 0.04 0.00 0.00 34.50 31.15 2did s PRO 46 CO 0.06 -0.35 0.41 -0.51 0.04 0.00 0.00 177.00 176.66 2did s LEU 47 N 0.62 4.21 -1.38 -3.56 1.43 -1.15 -4.40 118.68 114.45 2did s LEU 47 Ca 0.61 0.38 -0.08 0.00 -1.03 0.00 0.00 54.13 54.01 2did s LEU 47 Cb -0.36 -3.16 0.03 0.00 0.03 0.00 0.00 46.19 42.73 2did s LEU 47 CO 0.33 -0.08 1.04 -0.24 0.23 0.00 0.00 176.35 177.63 2did n SER 48 N -0.87 -4.61 0.00 2.29 2.88 -1.26 -4.82 113.62 107.23 2did n SER 48 Ca -0.05 -0.66 0.00 0.00 -1.33 0.00 0.00 58.87 56.83 2did n SER 48 Cb 0.54 -4.59 0.00 0.00 -0.75 0.00 0.00 64.21 59.42 2did n SER 48 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2did n GLY 49 N -1.73 0.57 3.68 0.46 0.00 -1.26 -5.13 105.19 101.77 2did n GLY 49 Ca -0.06 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 44.79 2did n GLY 49 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2did s PRO 50 N -2.00 4.25 0.01 1.61 0.04 -1.26 -4.91 135.00 132.74 2did s PRO 50 Ca 0.00 2.02 -0.30 0.00 0.04 0.00 0.00 61.00 62.76 2did s PRO 50 Cb 0.00 -3.66 -0.07 0.00 0.04 0.00 0.00 34.50 30.81 2did s PRO 50 CO 0.00 -0.65 1.76 -1.12 0.04 0.00 0.00 177.00 177.03 2did s SER 51 N 2.19 6.58 -0.18 6.66 0.01 -1.26 -4.90 113.70 122.79 2did s SER 51 Ca 0.66 2.44 -0.16 0.00 1.31 0.00 0.00 55.95 60.20 2did s SER 51 Cb -0.32 -2.54 -0.06 0.00 0.21 0.00 0.00 66.02 63.31 2did s SER 51 CO 0.27 -0.96 -0.31 -0.24 0.41 0.00 0.00 173.24 172.41 2did n SER 52 N 6.89 1.92 0.00 2.44 2.88 -1.26 -5.11 113.62 121.38 2did n SER 52 Ca 0.18 0.39 0.00 0.00 -1.33 0.00 0.00 58.87 58.11 2did n SER 52 Cb 0.42 -0.78 0.00 0.00 -0.75 0.00 0.00 64.21 63.10 2did n SER 52 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42