#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2did h SER 2 N 0.00 -1.13 -2.51 1.61 0.02 -2.11 -3.41 113.55 106.01 2did h SER 2 Ca 0.00 0.17 -0.49 0.00 -0.84 0.00 0.00 61.79 60.63 2did h SER 2 Cb 0.00 0.49 -0.01 0.00 0.14 0.00 0.00 62.40 63.02 2did h SER 2 CO 0.00 -0.37 -0.36 -0.55 -1.14 0.00 0.00 176.83 174.41 2did s SER 3 N -4.96 6.33 -0.02 3.07 0.15 -1.26 -5.07 113.70 111.94 2did s SER 3 Ca -0.15 0.24 -0.02 0.00 0.70 0.00 0.00 55.95 56.71 2did s SER 3 Cb 0.11 -1.94 -0.01 0.00 -1.71 0.00 0.00 66.02 62.48 2did s SER 3 CO 0.66 -0.09 -0.04 0.61 1.20 0.00 0.00 173.24 175.57 2did n GLY 4 N -1.21 -0.35 2.96 9.45 0.00 -1.26 -4.92 105.19 109.86 2did n GLY 4 Ca -0.07 -0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 2did n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2did s SER 5 N -4.51 4.45 -1.19 1.61 0.01 -1.26 -5.03 113.70 107.78 2did s SER 5 Ca -0.03 -3.12 -0.20 0.00 1.31 0.00 0.00 55.95 53.91 2did s SER 5 Cb 0.00 -1.66 0.03 0.00 0.21 0.00 0.00 66.02 64.61 2did s SER 5 CO 0.05 -0.22 1.72 -0.44 0.41 0.00 0.00 173.24 174.76 2did s SER 6 N -0.37 6.37 0.07 2.44 0.01 -1.26 -4.55 113.70 116.41 2did s SER 6 Ca 0.18 -1.98 0.00 0.00 1.31 0.00 0.00 55.95 55.46 2did s SER 6 Cb -0.23 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.42 2did s SER 6 CO -0.02 -1.65 0.00 0.61 0.41 0.00 0.00 173.24 172.59 2did n GLY 7 N 5.90 0.01 3.24 3.44 0.00 -1.26 -5.13 105.19 111.39 2did n GLY 7 Ca 0.44 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.34 2did n GLY 7 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2did s GLU 8 N -1.62 0.73 0.52 1.61 1.03 -1.26 -5.15 118.70 114.56 2did s GLU 8 Ca 0.00 -0.39 -0.07 0.00 0.03 0.00 0.00 54.97 54.54 2did s GLU 8 Cb 0.00 0.32 0.12 0.00 -0.80 0.00 0.00 34.13 33.77 2did s GLU 8 CO 0.00 -0.22 0.71 0.43 -1.33 0.00 0.00 175.26 174.85 2did n SER 9 N 0.89 0.20 -3.70 0.83 7.64 -1.26 -4.92 113.62 113.30 2did n SER 9 Ca -0.20 -1.35 -0.12 0.00 1.01 0.00 0.00 58.87 58.21 2did n SER 9 Cb 0.58 -0.53 -0.12 0.00 -1.01 0.00 0.00 64.21 63.12 2did n SER 9 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2did s LEU 10 N 0.00 0.05 0.10 -3.43 1.43 -1.26 -2.53 118.68 113.05 2did s LEU 10 Ca 0.42 0.64 -0.34 0.00 -1.03 0.00 0.00 54.13 53.81 2did s LEU 10 Cb -0.01 0.88 -0.18 0.00 0.03 0.00 0.00 46.19 46.91 2did s LEU 10 CO 0.29 -0.20 0.92 0.00 0.23 0.00 0.00 176.35 177.59 2did n PRO 12 N 1.41 0.34 0.00 0.00 -0.04 -1.26 0.14 135.00 135.58 2did n PRO 12 Ca 0.18 0.08 0.00 0.00 -0.04 0.00 0.00 63.50 63.72 2did n PRO 12 Cb 0.17 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.13 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 -1.15 0.74 -0.02 0.54 -0.06 -1.26 -4.80 117.38 111.36 2did n GLN 13 Ca 0.09 0.00 0.09 0.00 -2.00 0.00 0.00 57.00 55.18 2did n GLN 13 Cb 0.09 -0.84 -0.17 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 -2.00 0.00 -3.81 3.69 8.25 -1.21 -4.99 115.22 115.15 2did n HIS 14 Ca 0.00 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.18 2did n HIS 14 Cb 0.34 -0.55 0.04 0.00 1.12 0.00 0.00 29.99 30.94 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 -2.31 -2.50 -4.49 4.41 8.25 0.36 -4.84 115.22 114.10 2did n HIS 15 Ca -0.07 0.94 -0.31 0.00 -0.26 0.00 0.00 57.72 58.03 2did n HIS 15 Cb 0.63 -4.33 -0.11 0.00 1.12 0.00 0.00 29.99 27.30 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 -6.52 2.16 -0.44 -0.41 0.41 -1.26 -4.62 118.70 108.02 2did s GLU 16 Ca 0.64 -0.95 -0.42 0.00 -0.41 0.00 0.00 54.97 53.83 2did s GLU 16 Cb -0.31 -2.27 -0.17 0.00 -1.78 0.00 0.00 34.13 29.60 2did s GLU 16 CO 0.80 0.54 2.04 0.00 -0.49 0.00 0.00 175.26 178.15 2did n ALA 17 N 1.29 0.21 -2.53 5.21 0.00 -1.26 -2.02 120.51 121.42 2did n ALA 17 Ca -0.15 0.18 -0.43 0.00 0.00 0.00 0.00 53.44 53.04 2did n ALA 17 Cb 0.52 -2.20 -0.02 0.00 0.00 0.00 0.00 19.45 17.75 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 5.71 3.64 0.00 0.00 1.43 -1.05 -4.58 118.68 123.83 2did s LEU 18 Ca 1.13 0.60 0.00 0.00 -1.03 0.00 0.00 54.13 54.83 2did s LEU 18 Cb -1.28 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 41.39 2did s LEU 18 CO 0.63 -1.28 0.00 -0.24 0.23 0.00 0.00 176.35 175.69 2did n SER 19 N 8.06 3.97 -5.01 2.29 2.88 -1.25 -4.63 113.62 119.94 2did n SER 19 Ca 0.13 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.50 2did n SER 19 Cb 0.49 0.79 0.01 0.00 -0.75 0.00 0.00 64.21 64.75 2did n SER 19 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2did s LEU 20 N -2.39 3.61 -0.24 2.46 1.43 -1.22 -0.15 118.68 122.19 2did s LEU 20 Ca 0.00 -0.39 -0.10 0.00 -1.03 0.00 0.00 54.13 52.61 2did s LEU 20 Cb 0.00 -2.66 0.10 0.00 0.03 0.00 0.00 46.19 43.66 2did s LEU 20 CO 0.00 -0.81 0.55 0.12 0.23 0.00 0.00 176.35 176.44 2did s PHE 21 N -2.40 -1.00 0.47 0.29 2.19 0.43 -2.00 117.98 115.96 2did s PHE 21 Ca 0.55 1.87 -0.22 0.00 0.33 0.00 0.00 56.93 59.47 2did s PHE 21 Cb -0.10 0.53 -0.08 0.00 -1.31 0.00 0.00 43.02 42.06 2did s PHE 21 CO 0.34 -0.53 1.10 0.00 1.83 0.00 0.00 175.22 177.96 2did h TYR 23 N 1.82 0.00 -0.01 0.00 3.20 -1.13 -3.08 116.97 117.77 2did h TYR 23 Ca -0.49 0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.39 2did h TYR 23 Cb 1.24 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.47 2did h TYR 23 CO 0.55 0.00 -0.31 1.49 -1.64 0.00 0.00 178.16 178.25 2did h GLU 24 N -0.99 -0.37 -0.10 1.82 4.57 -1.95 -0.29 114.58 117.27 2did h GLU 24 Ca 0.00 0.02 0.03 0.00 -1.18 0.00 0.00 59.36 58.23 2did h GLU 24 Cb 0.44 0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 29.10 2did h GLU 24 CO 0.00 -0.24 0.10 -0.44 -1.18 0.00 0.00 179.01 177.25 2did h ASP 25 N -0.38 0.00 -5.05 1.04 5.19 -1.95 -3.46 116.42 111.81 2did h ASP 25 Ca 0.01 0.00 -0.31 0.00 -0.62 0.00 0.00 57.03 56.10 2did h ASP 25 Cb 0.41 0.00 0.13 0.00 0.18 0.00 0.00 39.33 40.05 2did h ASP 25 CO -0.21 0.00 -0.59 1.67 -3.12 0.00 0.00 179.24 176.98 2did n GLN 26 N -3.98 -6.31 -4.18 3.56 -0.06 -0.12 -5.01 117.38 101.28 2did n GLN 26 Ca -0.00 0.70 -0.13 0.00 -2.00 0.00 0.00 57.00 55.56 2did n GLN 26 Cb 0.21 -5.33 -0.09 0.00 -4.06 0.00 0.00 30.24 20.98 2did n GLN 26 CO 0.00 0.00 0.00 -1.21 -0.20 0.00 0.00 177.06 175.65 2did s GLU 27 N -5.78 1.39 0.24 3.69 0.41 -1.17 -5.01 118.70 112.48 2did s GLU 27 Ca 0.33 -1.65 -0.16 0.00 -0.41 0.00 0.00 54.97 53.07 2did s GLU 27 Cb -0.14 0.32 -0.08 0.00 -1.78 0.00 0.00 34.13 32.44 2did s GLU 27 CO 0.61 -0.50 0.68 0.00 -0.49 0.00 0.00 175.26 175.56 2did s ALA 28 N -3.94 3.42 0.33 5.21 0.00 -1.26 -0.45 121.76 125.07 2did s ALA 28 Ca 0.36 0.03 0.07 0.00 0.00 0.00 0.00 51.96 52.42 2did s ALA 28 Cb 0.05 -2.71 -0.02 0.00 0.00 0.00 0.00 23.12 20.43 2did s ALA 28 CO 0.15 0.37 0.24 1.33 0.00 0.00 0.00 175.76 177.85 2did n VAL 29 N 0.27 0.00 -4.66 0.00 0.24 -0.85 -4.81 118.33 108.53 2did n VAL 29 Ca -0.01 -2.28 -0.30 0.00 -2.04 0.00 0.00 64.34 59.72 2did n VAL 29 Cb 0.52 1.08 -0.08 0.00 -1.47 0.00 0.00 33.84 33.89 2did n VAL 29 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2did h LEU 31 N 1.55 0.02 0.36 0.00 4.07 -1.91 -2.12 115.31 117.29 2did h LEU 31 Ca -0.41 0.12 -0.02 0.00 0.08 0.00 0.00 57.88 57.65 2did h LEU 31 Cb 1.29 0.16 0.00 0.00 1.08 0.00 0.00 40.66 43.19 2did h LEU 31 CO 0.69 0.01 -0.19 0.40 -1.08 0.00 0.00 178.44 178.27 2did h ILE 32 N 0.27 0.00 -0.84 1.22 1.08 -1.96 -3.12 117.51 114.16 2did h ILE 32 Ca 0.34 0.00 0.13 0.00 -0.39 0.00 0.00 64.86 64.94 2did h ILE 32 Cb 0.52 0.00 -0.14 0.00 -3.07 0.00 0.00 36.82 34.13 2did h ILE 32 CO -0.42 0.00 -0.32 0.00 -0.69 0.00 0.00 178.15 176.71 2did h ALA 34 N 1.18 0.95 -0.97 0.00 0.00 -1.33 0.67 119.26 119.76 2did h ALA 34 Ca 0.30 0.35 -0.67 0.00 0.00 0.00 0.00 54.91 54.89 2did h ALA 34 Cb 0.51 0.64 -0.31 0.00 0.00 0.00 0.00 17.79 18.62 2did h ALA 34 CO -0.84 -0.49 0.62 0.44 0.00 0.00 0.00 179.25 178.98 2did n ILE 35 N -5.52 3.46 -4.42 0.00 -5.35 0.25 -4.29 119.36 103.49 2did n ILE 35 Ca 0.20 -3.24 -0.25 0.00 -0.27 0.00 0.00 62.75 59.19 2did n ILE 35 Cb 0.64 -1.16 -0.09 0.00 -1.74 0.00 0.00 39.64 37.28 2did n ILE 35 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 2did s SER 36 N -2.07 3.96 0.34 7.28 0.15 0.23 -4.97 113.70 118.63 2did s SER 36 Ca 0.62 -1.00 0.03 0.00 0.70 0.00 0.00 55.95 56.30 2did s SER 36 Cb 0.49 -0.47 0.65 0.00 -1.71 0.00 0.00 66.02 64.98 2did s SER 36 CO -0.03 -0.12 1.95 1.12 1.20 0.00 0.00 173.24 177.36 2did h HIS 37 N 2.00 0.87 0.47 3.44 2.07 -1.92 0.73 115.15 122.80 2did h HIS 37 Ca -0.42 0.02 -0.02 0.00 -2.85 0.00 0.00 60.37 57.10 2did h HIS 37 Cb 1.25 -0.29 -0.01 0.00 2.57 0.00 0.00 27.41 30.94 2did h HIS 37 CO 0.75 0.47 -0.37 1.15 -3.07 0.00 0.00 177.93 176.86 2did h THR 38 N 0.87 0.00 -1.23 6.12 2.02 -1.96 -3.21 112.91 115.52 2did h THR 38 Ca 0.32 0.00 -0.64 0.00 0.77 0.00 0.00 66.41 66.87 2did h THR 38 Cb 0.17 0.00 -0.36 0.00 -1.74 0.00 0.00 68.15 66.22 2did h THR 38 CO -0.11 0.00 0.04 1.41 0.37 0.00 0.00 175.52 177.23 2did n HIS 39 N -4.68 3.08 0.31 3.16 8.25 -1.13 -4.77 115.22 119.43 2did n HIS 39 Ca -0.10 -2.66 -0.13 0.00 -0.26 0.00 0.00 57.72 54.57 2did n HIS 39 Cb 0.36 -0.76 -0.06 0.00 1.12 0.00 0.00 29.99 30.65 2did n HIS 39 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 2did h ARG 40 N 2.38 -0.79 -1.23 -0.41 1.12 0.48 -3.28 114.38 112.66 2did h ARG 40 Ca 0.46 0.05 -0.65 0.00 -1.11 0.00 0.00 59.98 58.73 2did h ARG 40 Cb 0.91 0.18 -0.27 0.00 -0.01 0.00 0.00 29.97 30.78 2did h ARG 40 CO 1.14 -0.52 0.85 0.00 -3.11 0.00 0.00 179.97 178.33 2did n ALA 41 N -2.71 6.25 -2.73 2.80 0.00 -1.26 -4.91 120.51 117.96 2did n ALA 41 Ca -0.10 -3.38 -0.24 0.00 0.00 0.00 0.00 53.44 49.72 2did n ALA 41 Cb 0.33 -1.78 -0.06 0.00 0.00 0.00 0.00 19.45 17.94 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 -3.61 2.93 -0.88 0.00 3.76 -1.24 -5.06 115.29 111.19 2did s HIS 42 Ca 0.59 -0.13 -0.21 0.00 -0.15 0.00 0.00 55.06 55.16 2did s HIS 42 Cb 0.47 -1.36 0.09 0.00 1.11 0.00 0.00 32.58 32.90 2did s HIS 42 CO -0.08 0.55 1.17 0.99 -0.85 0.00 0.00 174.74 176.52 2did s THR 43 N -2.01 4.40 -0.03 1.30 2.01 -1.26 -5.00 115.64 115.06 2did s THR 43 Ca 0.31 -1.01 -0.16 0.00 0.31 0.00 0.00 61.69 61.13 2did s THR 43 Cb -0.08 -4.83 -0.05 0.00 0.01 0.00 0.00 72.50 67.55 2did s THR 43 CO 0.21 -1.61 0.43 -0.69 -0.69 0.00 0.00 174.62 172.27 2did s VAL 44 N 3.67 5.05 0.03 3.82 1.01 -1.26 -0.58 120.40 132.14 2did s VAL 44 Ca 0.33 0.88 0.06 0.00 0.00 0.00 0.00 61.98 63.26 2did s VAL 44 Cb -0.07 -3.75 -0.02 0.00 0.00 0.00 0.00 36.38 32.54 2did s VAL 44 CO -0.04 0.51 -0.19 0.68 0.00 0.00 0.00 175.10 176.07 2did s VAL 45 N -0.64 1.50 0.38 2.92 -7.23 0.57 -4.93 120.40 112.97 2did s VAL 45 Ca 0.24 -1.09 -0.26 0.00 -1.81 0.00 0.00 61.98 59.06 2did s VAL 45 Cb -0.16 -1.31 -0.09 0.00 0.56 0.00 0.00 36.38 35.38 2did s VAL 45 CO 0.13 0.19 1.20 -2.16 -0.31 0.00 0.00 175.10 174.14 2did s PRO 46 N -1.06 4.14 -0.45 4.82 0.04 -1.26 -0.43 135.00 140.79 2did s PRO 46 Ca 0.06 1.92 0.03 0.00 0.04 0.00 0.00 61.00 63.06 2did s PRO 46 Cb -0.08 -2.79 0.62 0.00 0.04 0.00 0.00 34.50 32.29 2did s PRO 46 CO 0.01 -0.27 1.90 1.28 0.04 0.00 0.00 177.00 179.96 2did n LEU 47 N 0.28 6.70 -4.71 -3.56 4.77 0.79 -4.86 117.00 116.41 2did n LEU 47 Ca 0.03 -3.59 -0.24 0.00 -0.03 0.00 0.00 56.01 52.18 2did n LEU 47 Cb 0.45 -0.84 -0.06 0.00 -2.33 0.00 0.00 43.42 40.64 2did n LEU 47 CO 0.53 1.07 -0.28 -0.44 -1.33 0.00 0.00 177.39 176.94 2did s SER 48 N -1.25 4.96 0.07 -1.43 0.01 -1.26 -5.02 113.70 109.77 2did s SER 48 Ca 0.55 -0.42 0.04 0.00 1.31 0.00 0.00 55.95 57.44 2did s SER 48 Cb 0.46 -1.10 -0.03 0.00 0.21 0.00 0.00 66.02 65.56 2did s SER 48 CO 0.09 0.03 -0.12 -0.83 0.41 0.00 0.00 173.24 172.82 2did s GLY 49 N -3.43 0.75 0.00 3.44 0.00 -1.26 -5.02 107.32 101.80 2did s GLY 49 Ca 0.30 -0.95 0.15 0.00 0.00 0.00 0.00 44.72 44.22 2did s GLY 49 CO 0.21 -0.99 1.40 -1.55 0.00 0.00 0.00 173.10 172.16 2did n PRO 50 N 1.24 0.24 0.03 2.90 -0.04 -1.26 -3.65 135.00 134.46 2did n PRO 50 Ca -0.21 0.13 -0.02 0.00 -0.04 0.00 0.00 63.50 63.36 2did n PRO 50 Cb 0.55 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.50 2did n PRO 50 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2did h SER 51 N 0.00 -0.08 0.00 3.54 0.87 -2.05 -3.38 113.55 112.45 2did h SER 51 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2did h SER 51 Cb 0.12 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.10 2did h SER 51 CO 0.00 -0.01 0.00 -0.24 -0.53 0.00 0.00 176.83 176.05 2did n SER 52 N -2.55 0.00 0.00 6.23 2.88 -1.24 -5.32 113.62 113.62 2did n SER 52 Ca -0.01 0.99 0.00 0.00 -1.33 0.00 0.00 58.87 58.52 2did n SER 52 Cb 0.04 -0.49 0.00 0.00 -0.75 0.00 0.00 64.21 63.01 2did n SER 52 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42