#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yti n SER 2 N 0.00 1.45 -4.94 1.61 7.64 -1.26 -4.91 113.62 113.21 2yti n SER 2 Ca 0.00 0.24 -0.24 0.00 1.01 0.00 0.00 58.87 59.88 2yti n SER 2 Cb 0.00 -1.17 -0.03 0.00 -1.01 0.00 0.00 64.21 62.00 2yti n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2yti s SER 3 N 8.35 6.25 0.00 6.43 0.01 -1.26 -4.82 113.70 128.67 2yti s SER 3 Ca 1.16 0.11 0.00 0.00 1.31 0.00 0.00 55.95 58.53 2yti s SER 3 Cb -0.96 -1.85 0.00 0.00 0.21 0.00 0.00 66.02 63.43 2yti s SER 3 CO 0.48 0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.75 2yti n GLY 4 N -0.82 2.48 3.59 3.44 0.00 -1.26 -4.96 105.19 107.66 2yti n GLY 4 Ca -0.08 -0.27 -0.22 0.00 0.00 0.00 0.00 46.02 45.45 2yti n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2yti n SER 5 N 0.00 -4.42 -4.81 1.61 7.64 -1.26 -4.96 113.62 107.42 2yti n SER 5 Ca 0.00 -0.62 -0.33 0.00 1.01 0.00 0.00 58.87 58.94 2yti n SER 5 Cb 0.00 -4.86 -0.01 0.00 -1.01 0.00 0.00 64.21 58.34 2yti n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2yti s SER 6 N -3.73 6.07 -0.41 6.43 1.04 -1.26 -5.03 113.70 116.81 2yti s SER 6 Ca 0.36 1.78 0.08 0.00 0.48 0.00 0.00 55.95 58.65 2yti s SER 6 Cb -0.16 -2.53 0.26 0.00 0.10 0.00 0.00 66.02 63.68 2yti s SER 6 CO 0.75 -0.97 0.55 0.61 0.98 0.00 0.00 173.24 175.16 2yti n GLY 7 N -0.99 3.05 4.25 7.32 0.00 -1.26 -4.95 105.19 112.60 2yti n GLY 7 Ca 0.08 -1.67 -0.30 0.00 0.00 0.00 0.00 46.02 44.13 2yti n GLY 7 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2yti n THR 8 N 1.31 -1.01 -3.47 2.61 -1.04 -1.26 -4.88 114.28 106.54 2yti n THR 8 Ca 0.22 -0.48 -0.27 0.00 -2.04 0.00 0.00 64.05 61.48 2yti n THR 8 Cb 0.53 -1.00 -0.09 0.00 -1.82 0.00 0.00 70.33 67.95 2yti n THR 8 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2yti n GLY 9 N -2.52 4.17 3.95 3.41 0.00 -1.26 -5.09 105.19 107.85 2yti n GLY 9 Ca -0.31 -2.45 -0.24 0.00 0.00 0.00 0.00 46.02 43.02 2yti n GLY 9 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2yti s GLU 10 N -1.92 3.47 0.28 1.61 2.02 -1.26 -5.05 118.70 117.86 2yti s GLU 10 Ca 0.36 -0.51 -0.30 0.00 0.02 0.00 0.00 54.97 54.53 2yti s GLU 10 Cb 0.11 -2.82 -0.12 0.00 0.10 0.00 0.00 34.13 31.41 2yti s GLU 10 CO -0.07 0.35 1.61 1.17 0.02 0.00 0.00 175.26 178.34 2yti n LYS 11 N -1.25 2.70 0.00 1.61 3.00 -1.26 -4.87 118.16 118.09 2yti n LYS 11 Ca -0.06 0.96 0.07 0.00 -0.00 0.00 0.00 58.31 59.27 2yti n LYS 11 Cb 0.56 -2.75 0.31 0.00 0.00 0.00 0.00 35.03 33.14 2yti n LYS 11 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 2yti n PRO 12 N 2.38 0.01 -3.84 1.64 -0.04 -1.26 -4.26 135.00 129.63 2yti n PRO 12 Ca 0.10 0.25 -0.34 0.00 -0.04 0.00 0.00 63.50 63.47 2yti n PRO 12 Cb 0.36 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.20 2yti n PRO 12 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2yti s TYR 13 N -2.98 3.45 -0.05 0.54 1.51 -1.26 -5.06 117.35 113.50 2yti s TYR 13 Ca 0.07 -2.81 -0.00 0.00 -1.01 0.00 0.00 57.07 53.32 2yti s TYR 13 Cb 0.09 -3.07 0.03 0.00 -0.11 0.00 0.00 41.96 38.90 2yti s TYR 13 CO 0.26 -0.86 -0.02 0.21 -1.11 0.00 0.00 175.55 174.03 2yti s LYS 14 N 0.30 0.63 0.25 -0.62 2.20 -1.26 -0.61 119.74 120.62 2yti s LYS 14 Ca 0.14 0.02 -0.31 0.00 -0.36 0.00 0.00 55.97 55.47 2yti s LYS 14 Cb -0.22 -0.83 -0.11 0.00 -1.51 0.00 0.00 37.83 35.15 2yti s LYS 14 CO -0.03 -0.19 1.63 0.00 -0.36 0.00 0.00 175.35 176.40 2yti n ASN 16 N 2.98 4.61 -0.02 0.00 5.15 -1.26 -2.70 115.26 124.01 2yti n ASN 16 Ca 0.11 -2.98 -0.03 0.00 -0.60 0.00 0.00 54.58 51.08 2yti n ASN 16 Cb 0.37 -0.70 -0.02 0.00 -0.53 0.00 0.00 39.78 38.89 2yti n ASN 16 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2yti n GLU 17 N 0.08 0.12 -0.00 1.20 -0.58 -1.26 -4.90 120.64 115.29 2yti n GLU 17 Ca 0.32 0.03 -0.00 0.00 -0.42 0.00 0.00 57.16 57.09 2yti n GLU 17 Cb 1.20 -1.08 -0.00 0.00 -0.57 0.00 0.00 31.44 30.99 2yti n GLU 17 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2yti n GLY 19 N 3.43 2.00 3.94 0.00 0.00 -1.10 -5.08 105.19 108.38 2yti n GLY 19 Ca -0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.16 2.32 0.13 1.61 2.20 -1.25 -4.82 119.74 119.77 2yti s LYS 20 Ca 0.00 -0.36 0.04 0.00 -0.36 0.00 0.00 55.97 55.29 2yti s LYS 20 Cb 0.00 -2.25 -0.04 0.00 -1.51 0.00 0.00 37.83 34.03 2yti s LYS 20 CO 0.00 -1.08 -0.11 0.08 -0.36 0.00 0.00 175.35 173.88 2yti s VAL 21 N -3.12 1.11 0.25 4.02 1.01 -1.26 -0.59 120.40 121.83 2yti s VAL 21 Ca 0.59 -1.88 -0.11 0.00 0.00 0.00 0.00 61.98 60.57 2yti s VAL 21 Cb -0.11 -1.65 -0.01 0.00 0.00 0.00 0.00 36.38 34.61 2yti s VAL 21 CO 0.43 -0.65 0.45 -0.36 0.00 0.00 0.00 175.10 174.98 2yti s PHE 22 N -2.90 0.46 -0.25 5.22 0.40 0.21 -4.97 117.98 116.15 2yti s PHE 22 Ca 0.12 -0.81 -0.04 0.00 -0.60 0.00 0.00 56.93 55.60 2yti s PHE 22 Cb -0.00 0.12 -0.14 0.00 0.51 0.00 0.00 43.02 43.51 2yti s PHE 22 CO 0.01 -0.98 -0.26 2.41 0.70 0.00 0.00 175.22 177.09 2yti n THR 23 N -0.39 1.41 -4.63 0.64 -1.04 -1.26 -4.32 114.28 104.70 2yti n THR 23 Ca -0.01 -0.47 -0.34 0.00 -2.04 0.00 0.00 64.05 61.19 2yti n THR 23 Cb 0.62 -1.55 -0.11 0.00 -1.82 0.00 0.00 70.33 67.46 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 -2.49 2.76 0.19 -2.82 2.00 -1.26 -4.93 119.66 113.12 2yti s GLN 24 Ca -0.34 -0.55 -0.22 0.00 -2.00 0.00 0.00 55.36 52.24 2yti s GLN 24 Cb 0.11 -2.59 0.11 0.00 0.80 0.00 0.00 33.01 31.43 2yti s GLN 24 CO 0.52 0.65 1.57 -0.97 -0.50 0.00 0.00 175.29 176.56 2yti h ASN 25 N 5.28 -1.43 -0.50 6.67 -0.73 -2.00 -0.66 115.58 122.22 2yti h ASN 25 Ca -0.48 0.27 0.08 0.00 1.87 0.00 0.00 56.30 58.03 2yti h ASN 25 Cb 1.17 0.69 -0.10 0.00 0.27 0.00 0.00 38.32 40.36 2yti h ASN 25 CO 0.52 -0.31 -0.43 -1.28 -0.37 0.00 0.00 177.43 175.56 2yti h SER 26 N -0.13 -1.47 -1.22 1.15 0.87 -1.98 0.59 113.55 111.37 2yti h SER 26 Ca 0.24 0.23 0.35 0.00 -1.23 0.00 0.00 61.79 61.38 2yti h SER 26 Cb 0.56 0.65 -0.06 0.00 -0.44 0.00 0.00 62.40 63.11 2yti h SER 26 CO -0.79 -0.35 0.86 0.45 -0.53 0.00 0.00 176.83 176.47 2yti h HIS 27 N -0.28 0.16 0.00 2.24 3.86 -1.54 0.16 115.15 119.75 2yti h HIS 27 Ca 0.16 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.37 2yti h HIS 27 Cb 0.57 -0.04 0.00 0.00 1.06 0.00 0.00 27.41 29.00 2yti h HIS 27 CO -0.67 -0.00 -0.12 1.25 0.86 0.00 0.00 177.93 179.25 2yti h LEU 28 N 0.08 0.00 -0.83 2.43 5.85 0.37 -3.22 115.31 120.00 2yti h LEU 28 Ca 0.61 0.00 0.19 0.00 0.84 0.00 0.00 57.88 59.52 2yti h LEU 28 Cb 2.24 0.00 -0.15 0.00 0.37 0.00 0.00 40.66 43.12 2yti h LEU 28 CO -0.09 0.38 -0.06 0.00 -0.34 0.00 0.00 178.44 178.33 2yti h ALA 29 N -1.36 0.78 -0.93 1.25 0.00 -0.04 0.58 119.26 119.55 2yti h ALA 29 Ca 0.00 0.29 0.06 0.00 0.00 0.00 0.00 54.91 55.26 2yti h ALA 29 Cb 0.12 0.53 -0.06 0.00 0.00 0.00 0.00 17.79 18.37 2yti h ALA 29 CO 0.00 -0.44 0.60 0.07 0.00 0.00 0.00 179.25 179.48 2yti h ARG 30 N 0.05 1.04 -0.24 0.00 0.11 -0.88 -2.32 114.38 112.14 2yti h ARG 30 Ca 0.45 -0.06 -0.03 0.00 0.10 0.00 0.00 59.98 60.43 2yti h ARG 30 Cb 0.79 -0.24 -0.01 0.00 1.11 0.00 0.00 29.97 31.62 2yti h ARG 30 CO -0.78 0.69 0.04 1.25 0.10 0.00 0.00 179.97 181.27 2yti h HIS 31 N 1.07 0.43 -0.06 4.08 2.76 0.10 -2.52 115.15 121.02 2yti h HIS 31 Ca 0.40 -0.06 0.02 0.00 -2.20 0.00 0.00 60.37 58.52 2yti h HIS 31 Cb 0.18 -0.12 -0.00 0.00 1.55 0.00 0.00 27.41 29.02 2yti h HIS 31 CO -0.00 0.53 0.62 0.00 -1.30 0.00 0.00 177.93 177.78 2yti h ARG 32 N 0.21 0.00 -0.69 5.26 3.08 -0.62 0.17 114.38 121.79 2yti h ARG 32 Ca 0.07 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.17 2yti h ARG 32 Cb 0.33 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.34 2yti h ARG 32 CO 0.01 0.00 0.45 0.78 -1.07 0.00 0.00 179.97 180.14 2yti h GLY 33 N 0.00 0.92 2.00 0.04 0.00 -1.44 -0.52 103.07 104.07 2yti h GLY 33 Ca 0.03 -0.31 -0.00 0.00 0.00 0.00 0.00 47.33 47.05 2yti h GLY 33 CO -0.00 0.25 -0.01 0.16 0.00 0.00 0.00 176.54 176.95 2yti h ILE 34 N 0.78 0.60 0.03 2.60 3.07 -0.86 -1.96 117.51 121.77 2yti h ILE 34 Ca 0.28 -0.03 -0.31 0.00 1.55 0.00 0.00 64.86 66.35 2yti h ILE 34 Cb 0.15 1.02 -0.04 0.00 -0.27 0.00 0.00 36.82 37.67 2yti h ILE 34 CO -0.09 0.01 -1.80 1.41 -1.05 0.00 0.00 178.15 176.63 2yti n HIS 35 N -3.94 1.03 -1.43 0.16 8.25 -0.30 -3.98 115.22 115.02 2yti n HIS 35 Ca -0.03 0.33 -0.29 0.00 -0.26 0.00 0.00 57.72 57.47 2yti n HIS 35 Cb 0.09 -1.18 0.00 0.00 1.12 0.00 0.00 29.99 30.03 2yti n HIS 35 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2yti n THR 36 N -3.14 3.31 0.18 1.59 -2.24 -0.66 -4.39 114.28 108.93 2yti n THR 36 Ca -0.21 -2.97 0.00 0.00 -2.27 0.00 0.00 64.05 58.60 2yti n THR 36 Cb 1.05 -1.41 0.00 0.00 -2.10 0.00 0.00 70.33 67.88 2yti n THR 36 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2yti n GLY 37 N 0.23 -1.23 3.45 3.38 0.00 -1.16 -4.93 105.19 104.91 2yti n GLY 37 Ca 0.48 0.23 -0.33 0.00 0.00 0.00 0.00 46.02 46.39 2yti n GLY 37 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2yti n GLU 38 N -3.35 -0.18 -2.55 1.61 2.13 -1.26 -4.92 120.64 112.12 2yti n GLU 38 Ca 0.00 -0.01 -0.41 0.00 0.66 0.00 0.00 57.16 57.41 2yti n GLU 38 Cb 0.00 -1.90 -0.04 0.00 0.27 0.00 0.00 31.44 29.77 2yti n GLU 38 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 2yti s LYS 39 N -3.56 4.64 0.81 5.31 2.47 -1.26 -5.03 119.74 123.12 2yti s LYS 39 Ca 0.59 1.68 -0.11 0.00 -1.56 0.00 0.00 55.97 56.58 2yti s LYS 39 Cb -0.24 -3.27 0.08 0.00 -1.46 0.00 0.00 37.83 32.94 2yti s LYS 39 CO 0.65 0.16 1.09 -1.25 0.16 0.00 0.00 175.35 176.16 2yti s PRO 40 N -0.61 1.95 -0.05 4.03 0.04 -1.26 -5.00 135.00 134.10 2yti s PRO 40 Ca 0.47 1.06 -0.17 0.00 0.04 0.00 0.00 61.00 62.40 2yti s PRO 40 Cb -0.29 -1.87 -0.31 0.00 0.04 0.00 0.00 34.50 32.07 2yti s PRO 40 CO 0.35 -1.83 0.77 1.03 0.04 0.00 0.00 177.00 177.36 2yti h SER 41 N -1.26 0.56 -3.10 6.66 0.87 -1.95 -3.47 113.55 111.85 2yti h SER 41 Ca -0.45 -0.91 -0.45 0.00 -1.23 0.00 0.00 61.79 58.75 2yti h SER 41 Cb 1.25 -0.18 0.06 0.00 -0.44 0.00 0.00 62.40 63.09 2yti h SER 41 CO 0.52 1.61 0.08 -0.83 -0.53 0.00 0.00 176.83 177.69 2yti s GLY 42 N -4.76 1.75 -0.78 5.77 0.00 -1.26 -4.98 107.32 103.05 2yti s GLY 42 Ca -0.15 -1.11 -0.25 0.00 0.00 0.00 0.00 44.72 43.20 2yti s GLY 42 CO 0.84 -0.78 1.91 2.56 0.00 0.00 0.00 173.10 177.63 2yti s PRO 43 N -4.97 2.59 -0.28 2.90 0.04 -1.26 -4.88 135.00 129.13 2yti s PRO 43 Ca 0.58 0.08 -0.16 0.00 0.04 0.00 0.00 61.00 61.54 2yti s PRO 43 Cb -0.10 -4.79 0.10 0.00 0.04 0.00 0.00 34.50 29.75 2yti s PRO 43 CO 0.41 -3.11 0.77 -1.12 0.04 0.00 0.00 177.00 173.99 2yti s SER 44 N 8.06 -0.84 0.14 6.66 0.01 -1.26 -5.18 113.70 121.30 2yti s SER 44 Ca 0.69 1.33 -0.24 0.00 1.31 0.00 0.00 55.95 59.04 2yti s SER 44 Cb -0.09 1.39 0.07 0.00 0.21 0.00 0.00 66.02 67.59 2yti s SER 44 CO 0.08 -0.21 0.73 -0.44 0.41 0.00 0.00 173.24 173.81 2yti s SER 45 N 1.63 -0.42 0.00 2.44 0.01 -1.26 -4.77 113.70 111.33 2yti s SER 45 Ca -0.09 -0.16 0.22 0.00 1.31 0.00 0.00 55.95 57.23 2yti s SER 45 Cb -0.05 0.56 0.18 0.00 0.21 0.00 0.00 66.02 66.92 2yti s SER 45 CO -0.19 -0.96 1.21 0.61 0.41 0.00 0.00 173.24 174.33