#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2did n SER 2 N 0.00 -2.84 -4.78 1.61 7.64 -1.26 -4.93 113.62 109.06 2did n SER 2 Ca 0.00 0.22 -0.32 0.00 1.01 0.00 0.00 58.87 59.79 2did n SER 2 Cb 0.00 -1.07 0.07 0.00 -1.01 0.00 0.00 64.21 62.21 2did n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2did s SER 3 N -1.78 4.83 0.13 6.43 0.15 -1.26 -5.06 113.70 117.14 2did s SER 3 Ca 0.53 1.83 0.09 0.00 0.70 0.00 0.00 55.95 59.10 2did s SER 3 Cb -0.18 -2.52 -0.04 0.00 -1.71 0.00 0.00 66.02 61.57 2did s SER 3 CO 0.70 -1.82 -0.21 -0.83 1.20 0.00 0.00 173.24 172.28 2did s GLY 4 N -3.23 1.38 -1.49 9.45 0.00 -1.26 -4.75 107.32 107.42 2did s GLY 4 Ca 0.62 -1.39 -0.17 0.00 0.00 0.00 0.00 44.72 43.78 2did s GLY 4 CO 0.52 -1.40 0.43 1.44 0.00 0.00 0.00 173.10 174.08 2did n SER 5 N 0.75 -1.22 0.03 1.64 7.64 -1.26 -4.77 113.62 116.42 2did n SER 5 Ca -0.17 -1.01 -0.19 0.00 1.01 0.00 0.00 58.87 58.52 2did n SER 5 Cb 0.55 -1.28 -0.12 0.00 -1.01 0.00 0.00 64.21 62.34 2did n SER 5 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2did h SER 6 N -0.76 0.61 -4.04 6.43 4.64 -2.02 -3.41 113.55 115.01 2did h SER 6 Ca -0.49 -0.81 -0.67 0.00 -0.47 0.00 0.00 61.79 59.35 2did h SER 6 Cb 1.12 -0.19 -0.38 0.00 -0.31 0.00 0.00 62.40 62.64 2did h SER 6 CO 0.71 1.35 -0.54 -0.83 -0.87 0.00 0.00 176.83 176.64 2did s GLY 7 N -4.23 2.31 -0.38 -0.77 0.00 -1.26 -5.06 107.32 97.93 2did s GLY 7 Ca -0.12 -3.03 -0.37 0.00 0.00 0.00 0.00 44.72 41.20 2did s GLY 7 CO 0.85 1.03 1.24 -2.21 0.00 0.00 0.00 173.10 174.02 2did n GLU 8 N 3.66 0.00 -1.03 2.90 2.13 -1.26 -4.71 120.64 122.34 2did n GLU 8 Ca 0.05 0.00 -0.33 0.00 0.66 0.00 0.00 57.16 57.54 2did n GLU 8 Cb 0.37 -1.17 0.00 0.00 0.27 0.00 0.00 31.44 30.91 2did n GLU 8 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 2did n SER 9 N 3.09 -2.55 -3.99 4.31 7.64 -1.26 -4.80 113.62 116.07 2did n SER 9 Ca 0.24 0.60 -0.10 0.00 1.01 0.00 0.00 58.87 60.63 2did n SER 9 Cb -0.05 -0.70 -0.11 0.00 -1.01 0.00 0.00 64.21 62.34 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 3.70 2.23 0.24 -3.43 1.43 -1.26 -2.56 118.68 119.03 2did s LEU 10 Ca 0.47 -0.48 -0.31 0.00 -1.03 0.00 0.00 54.13 52.77 2did s LEU 10 Cb -0.47 0.05 -0.13 0.00 0.03 0.00 0.00 46.19 45.68 2did s LEU 10 CO 0.51 -0.27 1.52 0.00 0.23 0.00 0.00 176.35 178.34 2did n PRO 12 N 2.42 0.49 0.00 0.00 -0.04 -1.26 0.14 135.00 136.75 2did n PRO 12 Ca 0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 2did n PRO 12 Cb 0.33 -1.38 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 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 -0.88 0.00 -0.03 0.54 -0.06 -1.26 -4.83 117.38 110.86 2did n GLN 13 Ca 0.09 0.00 0.05 0.00 -2.00 0.00 0.00 57.00 55.14 2did n GLN 13 Cb 0.04 -0.68 -0.16 0.00 -4.06 0.00 0.00 30.24 25.38 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 -2.48 0.05 -2.29 3.69 8.25 -1.21 -4.98 115.22 116.26 2did n HIS 14 Ca 0.00 0.02 -0.19 0.00 -0.26 0.00 0.00 57.72 57.29 2did n HIS 14 Cb 0.37 -0.67 -0.02 0.00 1.12 0.00 0.00 29.99 30.80 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 -2.42 -0.82 -3.55 4.41 8.25 0.37 -4.86 115.22 116.60 2did n HIS 15 Ca -0.12 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.15 2did n HIS 15 Cb 0.74 -3.64 -0.01 0.00 1.12 0.00 0.00 29.99 28.20 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 -4.82 3.09 -0.13 -0.41 8.01 -1.26 -4.56 118.70 118.62 2did s GLU 16 Ca 0.00 -1.03 -0.37 0.00 0.01 0.00 0.00 54.97 53.58 2did s GLU 16 Cb 0.00 -2.78 -0.15 0.00 -4.31 0.00 0.00 34.13 26.89 2did s GLU 16 CO 0.00 0.09 1.69 0.00 0.01 0.00 0.00 175.26 177.06 2did n ALA 17 N -1.59 0.07 -2.81 5.21 0.00 -1.26 -1.74 120.51 118.39 2did n ALA 17 Ca -0.01 0.39 -0.43 0.00 0.00 0.00 0.00 53.44 53.39 2did n ALA 17 Cb 0.58 -2.28 -0.04 0.00 0.00 0.00 0.00 19.45 17.72 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 2.91 4.25 -0.11 0.00 1.43 -1.06 -4.27 118.68 121.82 2did s LEU 18 Ca 0.93 -0.99 0.14 0.00 -1.03 0.00 0.00 54.13 53.18 2did s LEU 18 Cb -0.92 -2.44 0.30 0.00 0.03 0.00 0.00 46.19 43.17 2did s LEU 18 CO 0.56 -1.47 1.15 -1.20 0.23 0.00 0.00 176.35 175.62 2did n SER 19 N 7.89 1.52 -3.78 2.29 7.64 -1.25 -4.89 113.62 123.03 2did n SER 19 Ca -0.01 -2.99 -0.11 0.00 1.01 0.00 0.00 58.87 56.77 2did n SER 19 Cb 0.46 -0.40 -0.08 0.00 -1.01 0.00 0.00 64.21 63.18 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 -2.04 1.03 -0.06 -3.43 1.43 -1.08 -2.04 118.68 112.49 2did s LEU 20 Ca 0.29 -0.21 -0.05 0.00 -1.03 0.00 0.00 54.13 53.13 2did s LEU 20 Cb 0.28 1.22 0.02 0.00 0.03 0.00 0.00 46.19 47.74 2did s LEU 20 CO -0.04 -0.57 0.15 0.12 0.23 0.00 0.00 176.35 176.24 2did s PHE 21 N -2.38 -0.17 -0.11 0.29 2.19 0.45 -0.45 117.98 117.80 2did s PHE 21 Ca -0.06 0.44 -0.08 0.00 0.33 0.00 0.00 56.93 57.56 2did s PHE 21 Cb -0.02 0.02 -0.04 0.00 -1.31 0.00 0.00 43.02 41.67 2did s PHE 21 CO -0.02 -0.11 0.17 0.00 1.83 0.00 0.00 175.22 177.09 2did h TYR 23 N 5.05 0.00 -0.93 0.00 -1.99 -1.73 -0.72 116.97 116.64 2did h TYR 23 Ca -0.54 0.00 0.28 0.00 2.00 0.00 0.00 58.73 60.47 2did h TYR 23 Cb 1.22 0.00 -0.15 0.00 2.00 0.00 0.00 36.73 39.80 2did h TYR 23 CO 0.74 0.01 0.30 1.49 -0.00 0.00 0.00 178.16 180.71 2did h GLU 24 N -1.00 0.17 0.00 4.88 4.57 -1.96 1.15 114.58 122.39 2did h GLU 24 Ca -0.00 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 2did h GLU 24 Cb 0.16 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.71 2did h GLU 24 CO -0.00 0.11 -0.64 -0.25 -1.18 0.00 0.00 179.01 177.05 2did n ASP 25 N -5.24 0.61 -4.04 1.04 9.92 -1.26 -4.95 116.55 112.62 2did n ASP 25 Ca 0.25 -0.06 -0.33 0.00 -0.53 0.00 0.00 54.79 54.12 2did n ASP 25 Cb 0.82 0.29 0.00 0.00 -0.64 0.00 0.00 41.12 41.59 2did n ASP 25 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2did n GLN 26 N -1.86 -4.54 -4.16 -1.24 1.13 0.40 -4.95 117.38 102.16 2did n GLN 26 Ca 0.04 0.50 -0.10 0.00 -1.94 0.00 0.00 57.00 55.50 2did n GLN 26 Cb 0.40 -5.32 -0.10 0.00 0.11 0.00 0.00 30.24 25.33 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 -6.75 0.87 0.05 -1.09 0.41 -0.81 -4.98 118.70 106.41 2did s GLU 27 Ca 0.69 -1.38 -0.23 0.00 -0.41 0.00 0.00 54.97 53.64 2did s GLU 27 Cb -0.36 -0.00 -0.06 0.00 -1.78 0.00 0.00 34.13 31.93 2did s GLU 27 CO 0.87 -0.13 0.68 0.00 -0.49 0.00 0.00 175.26 176.20 2did s ALA 28 N -3.81 3.45 0.34 5.21 0.00 -1.26 -0.20 121.76 125.49 2did s ALA 28 Ca 0.17 0.18 0.04 0.00 0.00 0.00 0.00 51.96 52.34 2did s ALA 28 Cb 0.07 -2.85 -0.06 0.00 0.00 0.00 0.00 23.12 20.28 2did s ALA 28 CO -0.02 0.19 0.07 0.14 0.00 0.00 0.00 175.76 176.13 2did s VAL 29 N -0.44 1.06 0.53 0.00 -7.23 0.40 -4.90 120.40 109.83 2did s VAL 29 Ca 0.34 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.57 2did s VAL 29 Cb -0.20 -2.71 0.04 0.00 0.56 0.00 0.00 36.38 34.07 2did s VAL 29 CO 0.21 0.00 0.45 0.00 -0.31 0.00 0.00 175.10 175.45 2did h LEU 31 N 0.72 0.70 -0.12 0.00 -0.00 -1.94 -2.40 115.31 112.28 2did h LEU 31 Ca -0.36 -0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.49 2did h LEU 31 Cb 1.30 -0.16 -0.00 0.00 -0.00 0.00 0.00 40.66 41.80 2did h LEU 31 CO 0.55 0.47 -0.02 0.40 -0.00 0.00 0.00 178.44 179.85 2did h ILE 32 N 0.81 1.28 -0.07 0.15 5.03 -1.95 -3.12 117.51 119.64 2did h ILE 32 Ca 0.29 -0.91 0.04 0.00 -0.12 0.00 0.00 64.86 64.17 2did h ILE 32 Cb 0.14 1.65 -0.06 0.00 -3.03 0.00 0.00 36.82 35.52 2did h ILE 32 CO -0.09 0.26 -0.34 0.00 -0.68 0.00 0.00 178.15 177.30 2did h ALA 34 N 0.27 -0.42 0.00 0.00 0.00 -1.49 0.15 119.26 117.77 2did h ALA 34 Ca 0.08 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2did h ALA 34 Cb 0.57 0.94 -0.00 0.00 0.00 0.00 0.00 17.79 19.30 2did h ALA 34 CO -0.32 -0.54 -0.05 -0.84 0.00 0.00 0.00 179.25 177.49 2did h ILE 35 N -0.12 0.70 -3.44 0.00 3.07 -1.45 -2.52 117.51 113.75 2did h ILE 35 Ca 0.04 -0.20 -0.52 0.00 1.55 0.00 0.00 64.86 65.72 2did h ILE 35 Cb 0.22 1.12 0.04 0.00 -0.27 0.00 0.00 36.82 37.93 2did h ILE 35 CO -0.27 0.05 0.69 -0.55 -1.05 0.00 0.00 178.15 177.02 2did s SER 36 N -6.43 6.80 0.36 2.16 0.15 0.22 -4.71 113.70 112.25 2did s SER 36 Ca -0.04 2.52 0.29 0.00 0.70 0.00 0.00 55.95 59.42 2did s SER 36 Cb 0.15 -2.62 1.18 0.00 -1.71 0.00 0.00 66.02 63.02 2did s SER 36 CO 0.60 -0.58 1.17 1.57 1.20 0.00 0.00 173.24 177.20 2did n HIS 37 N 2.31 0.36 -0.09 3.44 -0.00 -1.26 -0.62 115.22 119.36 2did n HIS 37 Ca 0.06 0.36 -0.07 0.00 0.46 0.00 0.00 57.72 58.53 2did n HIS 37 Cb 0.42 -0.76 -0.05 0.00 -0.12 0.00 0.00 29.99 29.48 2did n HIS 37 CO 0.00 0.00 0.00 1.15 0.46 0.00 0.00 176.34 177.95 2did h THR 38 N 0.00 0.00 -1.94 3.57 2.02 -1.88 -3.13 112.91 111.56 2did h THR 38 Ca 0.68 0.00 -0.59 0.00 0.77 0.00 0.00 66.41 67.27 2did h THR 38 Cb 2.37 0.00 -0.42 0.00 -1.74 0.00 0.00 68.15 68.36 2did h THR 38 CO -0.24 0.00 -0.69 1.41 0.37 0.00 0.00 175.52 176.37 2did n HIS 39 N -4.06 3.74 0.03 3.16 8.25 0.21 -4.86 115.22 121.69 2did n HIS 39 Ca -0.01 -3.60 -0.03 0.00 -0.26 0.00 0.00 57.72 53.82 2did n HIS 39 Cb 0.16 -0.31 -0.01 0.00 1.12 0.00 0.00 29.99 30.95 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 2.80 -0.17 -1.14 -0.41 1.12 -1.08 -3.36 114.38 112.14 2did h ARG 40 Ca 0.20 0.01 -0.67 0.00 -1.11 0.00 0.00 59.98 58.42 2did h ARG 40 Cb 0.69 0.04 -0.28 0.00 -0.01 0.00 0.00 29.97 30.41 2did h ARG 40 CO 0.83 -0.11 0.87 0.00 -3.11 0.00 0.00 179.97 178.45 2did n ALA 41 N -2.68 6.30 -2.69 2.80 0.00 -1.26 -4.90 120.51 118.08 2did n ALA 41 Ca -0.02 -3.43 -0.22 0.00 0.00 0.00 0.00 53.44 49.76 2did n ALA 41 Cb 0.07 -1.78 -0.06 0.00 0.00 0.00 0.00 19.45 17.68 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 -3.72 2.89 -1.16 0.00 3.76 -1.26 -5.04 115.29 110.76 2did s HIS 42 Ca 0.62 -0.20 -0.21 0.00 -0.15 0.00 0.00 55.06 55.12 2did s HIS 42 Cb 0.49 -1.40 0.05 0.00 1.11 0.00 0.00 32.58 32.83 2did s HIS 42 CO -0.05 0.50 1.62 0.99 -0.85 0.00 0.00 174.74 176.95 2did s THR 43 N -2.26 4.00 -0.13 1.30 2.01 -1.26 -4.96 115.64 114.33 2did s THR 43 Ca 0.34 -1.34 -0.07 0.00 0.31 0.00 0.00 61.69 60.93 2did s THR 43 Cb -0.06 -5.09 -0.04 0.00 0.01 0.00 0.00 72.50 67.32 2did s THR 43 CO 0.23 -1.93 0.12 -0.69 -0.69 0.00 0.00 174.62 171.66 2did s VAL 44 N 4.92 5.34 0.03 3.82 1.01 -1.26 -2.23 120.40 132.05 2did s VAL 44 Ca 0.51 0.15 0.06 0.00 0.00 0.00 0.00 61.98 62.71 2did s VAL 44 Cb 0.02 -3.34 -0.02 0.00 0.00 0.00 0.00 36.38 33.04 2did s VAL 44 CO 0.00 0.59 -0.19 0.68 0.00 0.00 0.00 175.10 176.18 2did s VAL 45 N -0.76 1.50 0.05 2.92 -7.23 0.36 -4.91 120.40 112.33 2did s VAL 45 Ca 0.13 -1.07 -0.31 0.00 -1.81 0.00 0.00 61.98 58.92 2did s VAL 45 Cb -0.12 -1.30 -0.07 0.00 0.56 0.00 0.00 36.38 35.45 2did s VAL 45 CO 0.03 0.20 1.41 -2.16 -0.31 0.00 0.00 175.10 174.27 2did s PRO 46 N -1.03 4.29 -1.18 4.82 0.04 -1.26 -0.41 135.00 140.27 2did s PRO 46 Ca 0.06 2.02 -0.14 0.00 0.04 0.00 0.00 61.00 62.99 2did s PRO 46 Cb -0.08 -3.46 0.17 0.00 0.04 0.00 0.00 34.50 31.17 2did s PRO 46 CO 0.01 -0.53 1.39 -0.51 0.04 0.00 0.00 177.00 177.40 2did s LEU 47 N 1.94 5.12 -0.05 -3.56 1.43 -0.86 -4.81 118.68 117.88 2did s LEU 47 Ca 0.65 -2.95 -0.03 0.00 -1.03 0.00 0.00 54.13 50.77 2did s LEU 47 Cb -0.34 -2.39 -0.01 0.00 0.03 0.00 0.00 46.19 43.48 2did s LEU 47 CO 0.28 -0.75 0.15 0.28 0.23 0.00 0.00 176.35 176.55 2did h SER 48 N 7.26 -0.08 0.00 2.29 0.02 -1.93 -3.45 113.55 117.66 2did h SER 48 Ca 0.30 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.25 2did h SER 48 Cb 0.89 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.45 2did h SER 48 CO 1.22 0.21 0.00 0.61 -1.14 0.00 0.00 176.83 177.73 2did n GLY 49 N 1.50 1.42 0.00 -3.77 0.00 -1.26 -2.62 105.19 100.45 2did n GLY 49 Ca -0.01 -0.66 0.07 0.00 0.00 0.00 0.00 46.02 45.42 2did n GLY 49 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2did n PRO 50 N 7.73 0.09 -0.25 1.61 -0.04 -1.26 -3.49 135.00 139.40 2did n PRO 50 Ca 0.00 0.21 0.05 0.00 -0.04 0.00 0.00 63.50 63.72 2did n PRO 50 Cb 0.00 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.14 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 -0.02 -3.96 3.54 0.87 -1.89 -3.42 113.55 108.67 2did h SER 51 Ca 0.00 0.15 -0.03 0.00 -1.23 0.00 0.00 61.79 60.68 2did h SER 51 Cb 0.20 0.21 -0.22 0.00 -0.44 0.00 0.00 62.40 62.15 2did h SER 51 CO 0.00 -0.05 0.18 -0.55 -0.53 0.00 0.00 176.83 175.88 2did s SER 52 N -5.24 -0.70 0.00 6.23 0.15 -1.23 -5.19 113.70 107.73 2did s SER 52 Ca -0.13 1.32 0.25 0.00 0.70 0.00 0.00 55.95 58.08 2did s SER 52 Cb 0.21 1.32 0.31 0.00 -1.71 0.00 0.00 66.02 66.16 2did s SER 52 CO 0.75 -0.26 1.33 0.61 1.20 0.00 0.00 173.24 176.87