#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 3.01 -0.18 1.61 0.01 -1.26 -5.13 113.70 111.75 2did s SER 2 Ca 0.00 -1.33 -0.14 0.00 1.31 0.00 0.00 55.95 55.78 2did s SER 2 Cb 0.00 -0.22 -0.04 0.00 0.21 0.00 0.00 66.02 65.97 2did s SER 2 CO 0.00 -0.49 0.33 -0.55 0.41 0.00 0.00 173.24 172.94 2did s SER 3 N -3.56 6.41 0.00 2.44 0.15 -1.26 -4.96 113.70 112.92 2did s SER 3 Ca 0.35 0.48 0.00 0.00 0.70 0.00 0.00 55.95 57.47 2did s SER 3 Cb 0.08 -2.20 0.00 0.00 -1.71 0.00 0.00 66.02 62.19 2did s SER 3 CO 0.16 0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.22 2did n GLY 4 N 3.71 -1.56 0.24 9.45 0.00 -1.26 -5.07 105.19 110.70 2did n GLY 4 Ca -0.11 0.83 -0.17 0.00 0.00 0.00 0.00 46.02 46.57 2did n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2did n SER 5 N 0.00 1.97 -4.81 1.61 7.64 -1.26 -4.98 113.62 113.79 2did n SER 5 Ca 0.00 0.07 -0.38 0.00 1.01 0.00 0.00 58.87 59.58 2did n SER 5 Cb 0.00 -0.44 -0.06 0.00 -1.01 0.00 0.00 64.21 62.70 2did n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2did s SER 6 N -6.30 6.76 0.00 6.43 0.15 -1.26 -4.50 113.70 114.98 2did s SER 6 Ca -0.26 0.91 0.00 0.00 0.70 0.00 0.00 55.95 57.29 2did s SER 6 Cb 0.09 -2.25 0.00 0.00 -1.71 0.00 0.00 66.02 62.15 2did s SER 6 CO 0.39 0.26 0.00 0.61 1.20 0.00 0.00 173.24 175.70 2did n GLY 7 N 2.14 3.55 3.10 9.45 0.00 -1.26 -5.09 105.19 117.07 2did n GLY 7 Ca -0.13 -0.66 -0.20 0.00 0.00 0.00 0.00 46.02 45.03 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 0.00 0.93 -0.05 1.61 -1.05 -1.26 -5.15 118.70 113.73 2did s GLU 8 Ca 0.00 -0.56 -0.05 0.00 -0.15 0.00 0.00 54.97 54.22 2did s GLU 8 Cb 0.00 -0.90 0.01 0.00 -0.44 0.00 0.00 34.13 32.80 2did s GLU 8 CO 0.00 0.24 0.13 -1.12 0.95 0.00 0.00 175.26 175.46 2did s SER 9 N -0.64 -0.14 -0.00 0.83 0.01 -1.26 -5.00 113.70 107.50 2did s SER 9 Ca 0.03 0.27 0.03 0.00 1.31 0.00 0.00 55.95 57.59 2did s SER 9 Cb -0.06 0.27 -0.01 0.00 0.21 0.00 0.00 66.02 66.43 2did s SER 9 CO 0.00 -0.05 -0.11 -0.76 0.41 0.00 0.00 173.24 172.73 2did s LEU 10 N 0.12 2.05 0.04 2.44 1.43 -1.26 -2.20 118.68 121.29 2did s LEU 10 Ca -0.00 -0.23 -0.38 0.00 -1.03 0.00 0.00 54.13 52.48 2did s LEU 10 Cb -0.01 -0.54 -0.19 0.00 0.03 0.00 0.00 46.19 45.47 2did s LEU 10 CO -0.00 0.11 1.01 0.00 0.23 0.00 0.00 176.35 177.70 2did n PRO 12 N 1.51 0.49 0.00 0.00 -0.04 -1.26 0.12 135.00 135.83 2did n PRO 12 Ca 0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 2did n PRO 12 Cb 0.12 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.11 2did n PRO 12 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2did n GLN 13 N -0.97 0.58 -0.00 0.54 6.02 -1.26 -4.83 117.38 117.45 2did n GLN 13 Ca 0.11 0.00 0.09 0.00 -0.01 0.00 0.00 57.00 57.19 2did n GLN 13 Cb 0.05 -0.70 -0.12 0.00 1.02 0.00 0.00 30.24 30.50 2did n GLN 13 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2did n HIS 14 N -1.60 0.00 -2.25 1.08 8.25 -1.21 -4.98 115.22 114.52 2did n HIS 14 Ca 0.00 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.31 2did n HIS 14 Cb 0.20 -0.18 -0.02 0.00 1.12 0.00 0.00 29.99 31.11 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 -1.73 -1.13 -3.70 4.41 8.25 0.33 -4.81 115.22 116.85 2did n HIS 15 Ca 0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.11 2did n HIS 15 Cb 0.36 -3.02 -0.06 0.00 1.12 0.00 0.00 29.99 28.39 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 -4.71 3.66 -0.24 -0.41 8.01 -1.26 -4.47 118.70 119.27 2did s GLU 16 Ca 0.00 0.06 -0.42 0.00 0.01 0.00 0.00 54.97 54.62 2did s GLU 16 Cb 0.00 -3.11 -0.18 0.00 -4.31 0.00 0.00 34.13 26.53 2did s GLU 16 CO 0.00 0.66 1.52 0.00 0.01 0.00 0.00 175.26 177.45 2did n ALA 17 N 1.35 -1.28 -2.74 5.21 0.00 -1.26 -1.47 120.51 120.32 2did n ALA 17 Ca -0.13 0.48 -0.42 0.00 0.00 0.00 0.00 53.44 53.37 2did n ALA 17 Cb 0.53 -2.03 -0.03 0.00 0.00 0.00 0.00 19.45 17.92 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 2.25 4.07 -0.25 0.00 1.43 -0.94 -3.88 118.68 121.36 2did s LEU 18 Ca 0.97 -1.19 0.10 0.00 -1.03 0.00 0.00 54.13 52.97 2did s LEU 18 Cb -1.22 -2.48 0.46 0.00 0.03 0.00 0.00 46.19 42.98 2did s LEU 18 CO 0.66 -1.46 1.32 -1.20 0.23 0.00 0.00 176.35 175.90 2did n SER 19 N 8.08 2.21 -3.98 2.29 7.64 -1.25 -4.94 113.62 123.68 2did n SER 19 Ca 0.11 -3.86 -0.10 0.00 1.01 0.00 0.00 58.87 56.04 2did n SER 19 Cb 0.48 -0.57 -0.06 0.00 -1.01 0.00 0.00 64.21 63.05 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 -3.27 0.57 -0.17 -3.43 1.43 -1.23 -2.44 118.68 110.13 2did s LEU 20 Ca 0.42 -0.90 -0.12 0.00 -1.03 0.00 0.00 54.13 52.50 2did s LEU 20 Cb 0.39 1.51 0.05 0.00 0.03 0.00 0.00 46.19 48.17 2did s LEU 20 CO -0.04 -1.03 0.44 0.12 0.23 0.00 0.00 176.35 176.07 2did s PHE 21 N -4.00 -0.59 -0.16 0.29 2.19 -0.36 -2.77 117.98 112.58 2did s PHE 21 Ca 0.21 1.30 -0.07 0.00 0.33 0.00 0.00 56.93 58.69 2did s PHE 21 Cb 0.01 0.25 -0.04 0.00 -1.31 0.00 0.00 43.02 41.93 2did s PHE 21 CO 0.05 -0.31 0.10 0.00 1.83 0.00 0.00 175.22 176.88 2did h TYR 23 N 6.05 0.00 -1.40 0.00 -1.99 -1.65 0.77 116.97 118.76 2did h TYR 23 Ca -0.45 0.00 0.45 0.00 2.00 0.00 0.00 58.73 60.74 2did h TYR 23 Cb 1.18 0.00 -0.11 0.00 2.00 0.00 0.00 36.73 39.80 2did h TYR 23 CO 0.63 0.00 0.94 0.39 -0.00 0.00 0.00 178.16 180.12 2did n GLU 24 N -3.62 -0.02 -0.00 4.88 1.02 -1.26 0.23 120.64 121.87 2did n GLU 24 Ca -0.00 1.07 0.07 0.00 -0.02 0.00 0.00 57.16 58.28 2did n GLU 24 Cb 0.01 -2.21 -0.10 0.00 -0.02 0.00 0.00 31.44 29.12 2did n GLU 24 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2did n ASP 25 N -4.24 1.32 -3.84 1.62 8.00 -1.25 -5.01 116.55 113.15 2did n ASP 25 Ca 0.37 -0.31 -0.27 0.00 0.71 0.00 0.00 54.79 55.29 2did n ASP 25 Cb 1.52 1.42 0.03 0.00 -0.02 0.00 0.00 41.12 44.07 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 -1.75 -5.35 -4.30 -1.24 3.00 0.64 -4.98 117.38 103.41 2did n GLN 26 Ca -0.01 0.61 -0.16 0.00 -0.01 0.00 0.00 57.00 57.43 2did n GLN 26 Cb 0.32 -5.38 -0.10 0.00 0.00 0.00 0.00 30.24 25.08 2did n GLN 26 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 2did s GLU 27 N -6.40 1.21 -0.35 -1.09 0.41 -0.46 -4.94 118.70 107.08 2did s GLU 27 Ca 0.43 -1.55 -0.17 0.00 -0.41 0.00 0.00 54.97 53.26 2did s GLU 27 Cb -0.21 -0.75 -0.00 0.00 -1.78 0.00 0.00 34.13 31.38 2did s GLU 27 CO 0.82 0.05 0.48 0.00 -0.49 0.00 0.00 175.26 176.13 2did s ALA 28 N -3.26 3.48 0.53 5.21 0.00 -1.26 -0.26 121.76 126.20 2did s ALA 28 Ca 0.21 -1.06 0.08 0.00 0.00 0.00 0.00 51.96 51.19 2did s ALA 28 Cb 0.03 -2.98 0.08 0.00 0.00 0.00 0.00 23.12 20.25 2did s ALA 28 CO 0.04 -1.20 0.63 1.33 0.00 0.00 0.00 175.76 176.57 2did n VAL 29 N 5.39 0.00 -4.73 0.00 0.24 -1.11 -4.97 118.33 113.14 2did n VAL 29 Ca -0.06 -1.86 -0.32 0.00 -2.04 0.00 0.00 64.34 60.06 2did n VAL 29 Cb 0.49 -0.40 -0.07 0.00 -1.47 0.00 0.00 33.84 32.38 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 1.37 0.96 0.54 0.00 8.10 -1.87 -2.40 115.31 122.01 2did h LEU 31 Ca -0.42 0.02 -0.03 0.00 0.11 0.00 0.00 57.88 57.56 2did h LEU 31 Cb 1.32 -0.18 0.01 0.00 -0.44 0.00 0.00 40.66 41.36 2did h LEU 31 CO 0.69 0.59 -0.26 0.40 -4.11 0.00 0.00 178.44 175.75 2did h ILE 32 N 1.08 0.00 -0.99 0.15 1.08 -1.95 -2.90 117.51 113.98 2did h ILE 32 Ca 0.43 -0.11 0.33 0.00 -0.39 0.00 0.00 64.86 65.12 2did h ILE 32 Cb 0.24 0.00 -0.18 0.00 -3.07 0.00 0.00 36.82 33.81 2did h ILE 32 CO -0.20 0.00 0.25 0.00 -0.69 0.00 0.00 178.15 177.52 2did h ALA 34 N 1.97 1.12 -0.57 0.00 0.00 -1.36 -1.31 119.26 119.12 2did h ALA 34 Ca 0.70 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.59 2did h ALA 34 Cb 1.63 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 2did h ALA 34 CO -0.84 0.25 0.01 0.44 0.00 0.00 0.00 179.25 179.12 2did n ILE 35 N -4.64 2.77 -1.61 0.00 -5.35 0.36 -4.23 119.36 106.66 2did n ILE 35 Ca 0.11 -1.44 -0.26 0.00 -0.27 0.00 0.00 62.75 60.89 2did n ILE 35 Cb 0.16 -0.28 0.08 0.00 -1.74 0.00 0.00 39.64 37.86 2did n ILE 35 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 2did n SER 36 N 0.54 5.77 -3.23 7.28 2.88 0.92 -4.91 113.62 122.87 2did n SER 36 Ca 0.28 -3.77 -0.20 0.00 -1.33 0.00 0.00 58.87 53.86 2did n SER 36 Cb 1.20 -0.68 -0.04 0.00 -0.75 0.00 0.00 64.21 63.95 2did n SER 36 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2did n HIS 37 N -0.88 -1.32 -0.06 0.66 8.25 -1.26 -4.68 115.22 115.93 2did n HIS 37 Ca 0.52 0.32 -0.12 0.00 -0.26 0.00 0.00 57.72 58.18 2did n HIS 37 Cb 0.88 -1.25 -0.04 0.00 1.12 0.00 0.00 29.99 30.69 2did n HIS 37 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 2did n THR 38 N -2.89 0.65 -1.73 1.59 -1.04 -1.24 -4.75 114.28 104.86 2did n THR 38 Ca 0.06 -0.18 -0.03 0.00 -2.04 0.00 0.00 64.05 61.86 2did n THR 38 Cb 0.40 -1.50 0.15 0.00 -1.82 0.00 0.00 70.33 67.56 2did n THR 38 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 2did n HIS 39 N -3.39 0.81 -0.00 -1.42 8.25 -1.22 -4.74 115.22 113.50 2did n HIS 39 Ca -0.23 -1.71 -0.17 0.00 -0.26 0.00 0.00 57.72 55.36 2did n HIS 39 Cb 0.67 -0.28 -0.12 0.00 1.12 0.00 0.00 29.99 31.39 2did n HIS 39 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2did h ARG 40 N 1.35 0.28 0.02 -0.41 2.47 -1.84 -3.34 114.38 112.91 2did h ARG 40 Ca 0.11 -0.33 -0.27 0.00 -1.26 0.00 0.00 59.98 58.23 2did h ARG 40 Cb 1.16 0.10 0.02 0.00 -1.65 0.00 0.00 29.97 29.61 2did h ARG 40 CO 0.22 1.05 -1.08 0.00 0.56 0.00 0.00 179.97 180.73 2did h ALA 41 N 0.24 0.13 -1.75 0.04 0.00 -1.94 -3.46 119.26 112.51 2did h ALA 41 Ca -0.07 -0.72 -0.30 0.00 0.00 0.00 0.00 54.91 53.83 2did h ALA 41 Cb 1.24 0.06 0.17 0.00 0.00 0.00 0.00 17.79 19.26 2did h ALA 41 CO 0.09 0.70 -0.17 0.72 0.00 0.00 0.00 179.25 180.60 2did n HIS 42 N -3.83 -3.18 -3.39 0.00 8.25 -1.25 -4.92 115.22 106.90 2did n HIS 42 Ca -0.11 -0.47 -0.45 0.00 -0.26 0.00 0.00 57.72 56.43 2did n HIS 42 Cb 0.90 -1.36 -0.03 0.00 1.12 0.00 0.00 29.99 30.62 2did n HIS 42 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 2did s THR 43 N -2.10 5.35 -0.11 1.59 2.01 -1.26 -5.03 115.64 116.09 2did s THR 43 Ca 0.54 -2.65 -0.16 0.00 0.31 0.00 0.00 61.69 59.73 2did s THR 43 Cb -0.10 -4.32 -0.05 0.00 0.01 0.00 0.00 72.50 68.05 2did s THR 43 CO 0.46 -1.02 0.38 -0.69 -0.69 0.00 0.00 174.62 173.06 2did s VAL 44 N -0.02 5.21 0.04 3.82 1.01 -1.26 -1.80 120.40 127.41 2did s VAL 44 Ca 0.19 0.75 0.09 0.00 0.00 0.00 0.00 61.98 63.01 2did s VAL 44 Cb -0.11 -3.71 -0.03 0.00 0.00 0.00 0.00 36.38 32.52 2did s VAL 44 CO -0.08 0.40 -0.25 0.68 0.00 0.00 0.00 175.10 175.85 2did s VAL 45 N 0.21 2.22 -0.10 2.92 -7.23 0.75 -4.91 120.40 114.26 2did s VAL 45 Ca 0.21 -1.35 -0.29 0.00 -1.81 0.00 0.00 61.98 58.74 2did s VAL 45 Cb -0.14 -1.87 -0.04 0.00 0.56 0.00 0.00 36.38 34.89 2did s VAL 45 CO 0.08 0.38 1.53 -2.16 -0.31 0.00 0.00 175.10 174.61 2did s PRO 46 N -1.23 4.17 -0.54 4.82 0.04 -1.26 -1.23 135.00 139.76 2did s PRO 46 Ca 0.12 1.98 -0.27 0.00 0.04 0.00 0.00 61.00 62.87 2did s PRO 46 Cb -0.10 -3.92 0.03 0.00 0.04 0.00 0.00 34.50 30.55 2did s PRO 46 CO 0.02 -0.84 1.10 -0.51 0.04 0.00 0.00 177.00 176.81 2did s LEU 47 N 3.96 3.69 0.25 -3.56 1.43 -1.02 -4.95 118.68 118.48 2did s LEU 47 Ca 0.67 0.08 -0.03 0.00 -1.03 0.00 0.00 54.13 53.82 2did s LEU 47 Cb -0.29 -3.17 -0.02 0.00 0.03 0.00 0.00 46.19 42.74 2did s LEU 47 CO 0.25 -1.33 0.29 -0.44 0.23 0.00 0.00 176.35 175.34 2did s SER 48 N 2.76 0.44 0.00 2.29 0.01 -1.26 -4.76 113.70 113.17 2did s SER 48 Ca 0.40 -1.35 0.00 0.00 1.31 0.00 0.00 55.95 56.31 2did s SER 48 Cb -0.09 0.50 0.00 0.00 0.21 0.00 0.00 66.02 66.64 2did s SER 48 CO 0.25 -1.02 0.00 0.61 0.41 0.00 0.00 173.24 173.50 2did n GLY 49 N -0.40 -2.02 3.67 3.44 0.00 -1.26 -4.69 105.19 103.94 2did n GLY 49 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 0.00 4.22 -0.71 1.61 0.04 -1.26 -4.94 135.00 133.96 2did s PRO 50 Ca 0.00 2.01 -0.26 0.00 0.04 0.00 0.00 61.00 62.79 2did s PRO 50 Cb 0.00 -3.82 -0.01 0.00 0.04 0.00 0.00 34.50 30.71 2did s PRO 50 CO 0.00 -0.75 1.70 0.45 0.04 0.00 0.00 177.00 178.44 2did s SER 51 N 2.63 5.56 -0.05 6.66 0.15 -1.26 -4.68 113.70 122.71 2did s SER 51 Ca 0.67 -0.10 -0.02 0.00 0.70 0.00 0.00 55.95 57.19 2did s SER 51 Cb -0.30 -2.54 -0.02 0.00 -1.71 0.00 0.00 66.02 61.44 2did s SER 51 CO 0.25 -2.23 -0.06 -1.20 1.20 0.00 0.00 173.24 171.20 2did n SER 52 N 11.80 0.36 0.00 5.45 7.64 -1.26 -5.23 113.62 132.38 2did n SER 52 Ca 0.19 0.06 0.00 0.00 1.01 0.00 0.00 58.87 60.13 2did n SER 52 Cb 0.51 -0.14 0.00 0.00 -1.01 0.00 0.00 64.21 63.57 2did n SER 52 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64