#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yti s SER 2 N 0.00 0.21 -0.19 1.61 0.01 -1.26 -5.15 113.70 108.93 2yti s SER 2 Ca 0.00 -0.96 0.01 0.00 1.31 0.00 0.00 55.95 56.31 2yti s SER 2 Cb 0.00 0.34 0.04 0.00 0.21 0.00 0.00 66.02 66.61 2yti s SER 2 CO 0.00 -0.77 -0.11 -0.44 0.41 0.00 0.00 173.24 172.33 2yti s SER 3 N -2.97 3.28 -0.33 2.44 0.01 -1.26 -5.10 113.70 109.78 2yti s SER 3 Ca 0.16 -0.82 -0.16 0.00 1.31 0.00 0.00 55.95 56.44 2yti s SER 3 Cb 0.06 -1.23 -0.02 0.00 0.21 0.00 0.00 66.02 65.04 2yti s SER 3 CO -0.03 -0.13 0.40 -0.83 0.41 0.00 0.00 173.24 173.07 2yti s GLY 4 N 1.41 1.88 0.41 3.44 0.00 -1.26 -5.06 107.32 108.14 2yti s GLY 4 Ca -0.00 -1.07 -0.25 0.00 0.00 0.00 0.00 44.72 43.40 2yti s GLY 4 CO -0.09 1.06 1.17 -0.56 0.00 0.00 0.00 173.10 174.68 2yti s SER 5 N 1.72 6.46 -0.33 1.64 0.01 -1.26 -5.02 113.70 116.91 2yti s SER 5 Ca 0.14 2.33 0.01 0.00 1.31 0.00 0.00 55.95 59.74 2yti s SER 5 Cb -0.16 -2.61 0.10 0.00 0.21 0.00 0.00 66.02 63.56 2yti s SER 5 CO 0.12 -0.72 0.09 -0.44 0.41 0.00 0.00 173.24 172.70 2yti s SER 6 N -1.19 4.25 0.70 2.44 0.01 -1.26 -5.12 113.70 113.53 2yti s SER 6 Ca 0.58 -1.87 -0.02 0.00 1.31 0.00 0.00 55.95 55.95 2yti s SER 6 Cb -0.30 -1.13 0.10 0.00 0.21 0.00 0.00 66.02 64.91 2yti s SER 6 CO 0.38 -0.39 0.97 -0.83 0.41 0.00 0.00 173.24 173.77 2yti s GLY 7 N 1.30 1.77 -0.35 3.44 0.00 -1.26 -5.08 107.32 107.14 2yti s GLY 7 Ca 0.11 -1.54 0.00 0.00 0.00 0.00 0.00 44.72 43.29 2yti s GLY 7 CO -0.18 -1.04 0.09 -1.59 0.00 0.00 0.00 173.10 170.38 2yti s THR 8 N -3.11 2.81 0.00 0.90 2.01 -1.26 -4.84 115.64 112.14 2yti s THR 8 Ca 0.64 -1.98 0.00 0.00 0.31 0.00 0.00 61.69 60.66 2yti s THR 8 Cb -0.07 -2.88 0.00 0.00 0.01 0.00 0.00 72.50 69.56 2yti s THR 8 CO 0.43 -0.49 0.00 0.61 -0.69 0.00 0.00 174.62 174.48 2yti n GLY 9 N 4.47 -0.96 3.36 4.40 0.00 -1.26 -5.13 105.19 110.07 2yti n GLY 9 Ca -0.03 0.33 -0.40 0.00 0.00 0.00 0.00 46.02 45.91 2yti n GLY 9 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2yti s GLU 10 N 0.00 2.78 0.03 1.61 2.12 -1.26 -4.91 118.70 119.07 2yti s GLU 10 Ca 0.00 -1.15 -0.03 0.00 0.36 0.00 0.00 54.97 54.16 2yti s GLU 10 Cb 0.00 -3.74 -0.02 0.00 0.26 0.00 0.00 34.13 30.63 2yti s GLU 10 CO 0.00 -0.74 0.03 0.15 -0.54 0.00 0.00 175.26 174.15 2yti s LYS 11 N 1.53 0.47 0.00 4.30 -0.14 -1.26 -5.02 119.74 119.62 2yti s LYS 11 Ca 0.02 -0.75 0.15 0.00 -1.36 0.00 0.00 55.97 54.03 2yti s LYS 11 Cb -0.20 0.18 0.91 0.00 -1.68 0.00 0.00 37.83 37.04 2yti s LYS 11 CO 0.06 -0.10 1.33 -0.35 -0.76 0.00 0.00 175.35 175.53 2yti n PRO 12 N 1.04 0.49 -0.85 -1.68 -0.04 -1.26 -2.47 135.00 130.22 2yti n PRO 12 Ca -0.20 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.20 2yti n PRO 12 Cb 0.57 -1.49 0.20 0.00 -0.04 0.00 0.00 33.50 32.74 2yti n PRO 12 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2yti n TYR 13 N -0.99 1.19 -3.10 0.54 4.02 -1.26 -5.00 117.16 112.55 2yti n TYR 13 Ca 0.11 -1.65 -0.40 0.00 -0.01 0.00 0.00 57.90 55.96 2yti n TYR 13 Cb 0.05 -0.52 -0.05 0.00 -0.02 0.00 0.00 39.34 38.80 2yti n TYR 13 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 176.86 176.06 2yti s LYS 14 N -3.27 4.36 0.88 -0.72 2.20 -1.03 -2.97 119.74 119.19 2yti s LYS 14 Ca 0.45 0.75 -0.11 0.00 -0.36 0.00 0.00 55.97 56.71 2yti s LYS 14 Cb 0.41 -3.48 0.12 0.00 -1.51 0.00 0.00 37.83 33.37 2yti s LYS 14 CO -0.00 -0.00 1.11 0.00 -0.36 0.00 0.00 175.35 176.09 2yti n ASN 16 N -3.98 2.72 0.14 0.00 3.02 -1.26 -3.61 115.26 112.28 2yti n ASN 16 Ca 0.09 -0.03 -0.15 0.00 -0.03 0.00 0.00 54.58 54.46 2yti n ASN 16 Cb 0.53 0.30 -0.08 0.00 -0.61 0.00 0.00 39.78 39.92 2yti n ASN 16 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 2yti h GLU 17 N 0.00 -0.67 0.00 3.52 4.39 -1.99 -3.37 114.58 116.46 2yti h GLU 17 Ca -0.28 0.05 -0.35 0.00 0.34 0.00 0.00 59.36 59.11 2yti h GLU 17 Cb 1.55 0.15 -0.05 0.00 -0.10 0.00 0.00 28.75 30.30 2yti h GLU 17 CO -0.01 -0.45 -2.20 0.00 -1.16 0.00 0.00 179.01 175.19 2yti n GLY 19 N 1.87 1.70 3.91 0.00 0.00 -1.24 -5.08 105.19 106.35 2yti n GLY 19 Ca -0.41 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.33 2yti n GLY 19 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2yti s LYS 20 N -0.07 2.70 0.04 1.61 2.20 -1.26 -4.75 119.74 120.20 2yti s LYS 20 Ca 0.00 0.13 0.06 0.00 -0.36 0.00 0.00 55.97 55.81 2yti s LYS 20 Cb 0.00 -2.14 -0.02 0.00 -1.51 0.00 0.00 37.83 34.16 2yti s LYS 20 CO 0.00 -0.98 -0.18 0.08 -0.36 0.00 0.00 175.35 173.90 2yti s VAL 21 N -3.22 1.46 0.31 4.02 1.01 -1.26 0.30 120.40 123.03 2yti s VAL 21 Ca 0.57 -1.08 0.06 0.00 0.00 0.00 0.00 61.98 61.53 2yti s VAL 21 Cb -0.11 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 34.96 2yti s VAL 21 CO 0.48 0.17 0.25 -0.36 0.00 0.00 0.00 175.10 175.64 2yti s PHE 22 N -0.76 1.68 -0.12 5.22 0.08 -1.16 -4.99 117.98 117.94 2yti s PHE 22 Ca 0.06 -1.61 -0.00 0.00 0.12 0.00 0.00 56.93 55.49 2yti s PHE 22 Cb -0.08 -0.71 -0.07 0.00 -0.57 0.00 0.00 43.02 41.58 2yti s PHE 22 CO 0.01 -0.82 -0.11 2.41 -0.10 0.00 0.00 175.22 176.62 2yti n THR 23 N -0.58 0.66 -4.25 0.64 -1.04 -1.26 -4.57 114.28 103.88 2yti n THR 23 Ca 0.06 -0.24 -0.32 0.00 -2.04 0.00 0.00 64.05 61.51 2yti n THR 23 Cb 0.63 -1.02 -0.09 0.00 -1.82 0.00 0.00 70.33 68.03 2yti n THR 23 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 2yti s GLN 24 N -2.23 2.79 0.11 -2.82 2.00 -1.26 -4.97 119.66 113.29 2yti s GLN 24 Ca -0.16 -0.62 -0.32 0.00 -2.00 0.00 0.00 55.36 52.26 2yti s GLN 24 Cb 0.04 -2.68 -0.11 0.00 0.80 0.00 0.00 33.01 31.07 2yti s GLN 24 CO 0.26 0.62 1.58 -0.97 -0.50 0.00 0.00 175.29 176.27 2yti h ASN 25 N 4.21 -1.39 -0.74 6.67 -0.73 -1.97 -2.12 115.58 119.52 2yti h ASN 25 Ca -0.49 0.16 0.14 0.00 1.87 0.00 0.00 56.30 57.98 2yti h ASN 25 Cb 1.18 0.53 -0.14 0.00 0.27 0.00 0.00 38.32 40.15 2yti h ASN 25 CO 0.58 -0.50 -0.23 0.77 -0.37 0.00 0.00 177.43 177.68 2yti h SER 26 N -0.66 -0.82 -0.86 1.15 4.64 -1.98 0.76 113.55 115.78 2yti h SER 26 Ca 0.02 0.23 0.17 0.00 -0.47 0.00 0.00 61.79 61.74 2yti h SER 26 Cb 0.70 0.50 -0.06 0.00 -0.31 0.00 0.00 62.40 63.23 2yti h SER 26 CO -0.29 -0.26 0.56 0.45 -0.87 0.00 0.00 176.83 176.42 2yti h HIS 27 N -0.03 0.61 0.02 4.77 3.86 -1.82 0.21 115.15 122.78 2yti h HIS 27 Ca 0.34 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.57 2yti h HIS 27 Cb 0.56 -0.19 0.00 0.00 1.06 0.00 0.00 27.41 28.84 2yti h HIS 27 CO -0.62 0.20 -0.01 1.25 0.86 0.00 0.00 177.93 179.61 2yti h LEU 28 N 0.50 -0.02 -0.76 2.43 5.85 0.85 -3.10 115.31 121.05 2yti h LEU 28 Ca 0.44 0.00 0.13 0.00 0.84 0.00 0.00 57.88 59.29 2yti h LEU 28 Cb 0.94 0.01 -0.14 0.00 0.37 0.00 0.00 40.66 41.84 2yti h LEU 28 CO -0.17 0.35 -0.31 0.00 -0.34 0.00 0.00 178.44 177.97 2yti h ALA 29 N -1.24 0.18 -0.92 1.25 0.00 -0.32 0.41 119.26 118.61 2yti h ALA 29 Ca -0.00 0.24 0.10 0.00 0.00 0.00 0.00 54.91 55.25 2yti h ALA 29 Cb 0.02 0.80 -0.08 0.00 0.00 0.00 0.00 17.79 18.53 2yti h ALA 29 CO 0.00 -0.58 0.56 0.07 0.00 0.00 0.00 179.25 179.30 2yti h ARG 30 N -0.07 0.90 -0.08 0.00 0.11 -1.12 -2.15 114.38 111.98 2yti h ARG 30 Ca 0.31 -0.05 -0.00 0.00 0.10 0.00 0.00 59.98 60.33 2yti h ARG 30 Cb 0.58 -0.20 -0.00 0.00 1.11 0.00 0.00 29.97 31.45 2yti h ARG 30 CO -0.81 0.60 0.04 1.25 0.10 0.00 0.00 179.97 181.15 2yti h HIS 31 N 0.93 0.10 -0.25 4.08 2.76 -0.18 -1.95 115.15 120.65 2yti h HIS 31 Ca 0.44 -0.00 0.07 0.00 -2.20 0.00 0.00 60.37 58.68 2yti h HIS 31 Cb 0.38 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 29.30 2yti h HIS 31 CO -0.03 0.14 0.56 0.00 -1.30 0.00 0.00 177.93 177.30 2yti h ARG 32 N 0.04 0.00 -0.88 5.26 3.08 -0.45 0.16 114.38 121.59 2yti h ARG 32 Ca 0.03 0.00 0.13 0.00 0.07 0.00 0.00 59.98 60.20 2yti h ARG 32 Cb 0.07 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.05 2yti h ARG 32 CO -0.00 0.00 0.57 0.78 -1.07 0.00 0.00 179.97 180.24 2yti h GLY 33 N 0.00 1.22 0.73 0.04 0.00 -1.23 -0.16 103.07 103.66 2yti h GLY 33 Ca 0.12 -0.32 0.16 0.00 0.00 0.00 0.00 47.33 47.29 2yti h GLY 33 CO -0.00 0.12 0.48 0.16 0.00 0.00 0.00 176.54 177.30 2yti h ILE 34 N 0.75 0.76 0.13 2.60 3.07 -1.13 -1.96 117.51 121.73 2yti h ILE 34 Ca 0.43 -0.09 -0.24 0.00 1.55 0.00 0.00 64.86 66.51 2yti h ILE 34 Cb 0.61 0.47 0.01 0.00 -0.27 0.00 0.00 36.82 37.64 2yti h ILE 34 CO -0.19 0.05 -1.16 0.45 -1.05 0.00 0.00 178.15 176.25 2yti h HIS 35 N 0.27 0.50 -2.65 0.16 3.86 -1.23 -3.42 115.15 112.64 2yti h HIS 35 Ca 0.34 -0.37 -0.67 0.00 -1.16 0.00 0.00 60.37 58.52 2yti h HIS 35 Cb 0.95 -0.02 -0.17 0.00 1.06 0.00 0.00 27.41 29.23 2yti h HIS 35 CO -0.00 1.45 0.54 0.95 0.86 0.00 0.00 177.93 181.73 2yti s THR 36 N -2.46 4.59 0.00 2.45 -4.23 -0.74 -4.70 115.64 110.56 2yti s THR 36 Ca -0.17 -0.95 0.00 0.00 -1.18 0.00 0.00 61.69 59.39 2yti s THR 36 Cb 0.03 -4.67 0.00 0.00 1.34 0.00 0.00 72.50 69.20 2yti s THR 36 CO 0.80 -1.40 0.00 0.61 -0.54 0.00 0.00 174.62 174.09 2yti n GLY 37 N 5.34 -0.97 3.58 3.99 0.00 -1.25 -4.73 105.19 111.14 2yti n GLY 37 Ca 0.05 0.48 -0.35 0.00 0.00 0.00 0.00 46.02 46.19 2yti n GLY 37 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2yti n GLU 38 N -0.08 0.36 -4.34 1.61 0.00 -1.26 -5.01 120.64 111.92 2yti n GLU 38 Ca 0.00 0.18 -0.33 0.00 0.00 0.00 0.00 57.16 57.01 2yti n GLU 38 Cb 0.00 -2.14 -0.09 0.00 0.00 0.00 0.00 31.44 29.20 2yti n GLU 38 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.13 175.54 2yti s LYS 39 N -3.35 2.75 -0.22 3.44 -2.85 -1.26 -5.07 119.74 113.19 2yti s LYS 39 Ca 0.70 -0.61 -0.29 0.00 -1.00 0.00 0.00 55.97 54.77 2yti s LYS 39 Cb -0.33 -2.64 -0.03 0.00 -2.06 0.00 0.00 37.83 32.77 2yti s LYS 39 CO 0.53 0.63 1.61 -1.25 0.10 0.00 0.00 175.35 176.97 2yti s PRO 40 N -1.45 3.81 0.86 1.78 0.04 -1.26 -4.97 135.00 133.81 2yti s PRO 40 Ca 0.18 1.67 -0.15 0.00 0.04 0.00 0.00 61.00 62.75 2yti s PRO 40 Cb -0.11 -4.03 -0.03 0.00 0.04 0.00 0.00 34.50 30.37 2yti s PRO 40 CO 0.09 -1.28 0.20 -1.13 0.04 0.00 0.00 177.00 174.92 2yti n SER 41 N 8.39 -2.60 -0.10 6.66 3.41 -1.26 -4.70 113.62 123.42 2yti n SER 41 Ca 0.19 0.40 0.01 0.00 -0.26 0.00 0.00 58.87 59.21 2yti n SER 41 Cb 0.45 -1.11 -0.01 0.00 -0.26 0.00 0.00 64.21 63.28 2yti n SER 41 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yti n GLY 42 N 1.96 -2.53 0.00 5.00 0.00 -1.26 -4.38 105.19 103.98 2yti n GLY 42 Ca 0.06 -1.43 0.06 0.00 0.00 0.00 0.00 46.02 44.70 2yti n GLY 42 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2yti n PRO 43 N -2.25 0.49 -0.25 1.61 -0.04 -1.26 -4.03 135.00 129.26 2yti n PRO 43 Ca -0.01 0.00 0.18 0.00 -0.04 0.00 0.00 63.50 63.63 2yti n PRO 43 Cb 0.05 -1.36 0.33 0.00 -0.04 0.00 0.00 33.50 32.48 2yti n PRO 43 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2yti n SER 44 N -0.86 0.09 0.01 3.54 2.88 -1.26 -3.80 113.62 114.22 2yti n SER 44 Ca 0.08 1.26 0.00 0.00 -1.33 0.00 0.00 58.87 58.89 2yti n SER 44 Cb 0.04 -0.54 0.00 0.00 -0.75 0.00 0.00 64.21 62.96 2yti n SER 44 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2yti n SER 45 N -4.87 0.14 0.00 -3.46 7.64 -1.26 -5.19 113.62 106.62 2yti n SER 45 Ca 0.23 0.02 0.00 0.00 1.01 0.00 0.00 58.87 60.13 2yti n SER 45 Cb 0.78 -0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.93 2yti n SER 45 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64