#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yts s SER 2 N 0.00 -0.64 -0.06 1.61 0.15 -1.26 -5.17 113.70 108.33 2yts s SER 2 Ca 0.00 1.12 0.02 0.00 0.70 0.00 0.00 55.95 57.79 2yts s SER 2 Cb 0.00 1.09 -0.03 0.00 -1.71 0.00 0.00 66.02 65.38 2yts s SER 2 CO 0.00 -0.29 -0.11 -0.55 1.20 0.00 0.00 173.24 173.48 2yts s SER 3 N -0.03 4.29 -0.43 5.45 0.15 -1.26 -5.05 113.70 116.82 2yts s SER 3 Ca -0.01 -0.13 0.08 0.00 0.70 0.00 0.00 55.95 56.59 2yts s SER 3 Cb -0.04 -1.03 0.31 0.00 -1.71 0.00 0.00 66.02 63.56 2yts s SER 3 CO 0.01 0.34 0.92 0.61 1.20 0.00 0.00 173.24 176.32 2yts n GLY 4 N 2.35 1.64 2.82 9.45 0.00 -1.26 -5.07 105.19 115.13 2yts n GLY 4 Ca -0.18 -0.62 -0.30 0.00 0.00 0.00 0.00 46.02 44.92 2yts n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2yts s SER 5 N -1.68 4.24 -0.11 1.61 1.04 -1.26 -4.98 113.70 112.57 2yts s SER 5 Ca 0.30 -1.78 -0.12 0.00 0.48 0.00 0.00 55.95 54.83 2yts s SER 5 Cb 0.29 -1.10 -0.04 0.00 0.10 0.00 0.00 66.02 65.27 2yts s SER 5 CO -0.09 -0.40 -0.24 -0.24 0.98 0.00 0.00 173.24 173.25 2yts n SER 6 N 4.67 1.53 0.00 7.02 2.88 -1.26 -5.11 113.62 123.35 2yts n SER 6 Ca -0.00 0.25 0.00 0.00 -1.33 0.00 0.00 58.87 57.79 2yts n SER 6 Cb 0.42 -0.63 0.00 0.00 -0.75 0.00 0.00 64.21 63.25 2yts n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2yts n GLY 7 N 1.85 -1.68 3.74 0.46 0.00 -1.26 -5.14 105.19 103.16 2yts n GLY 7 Ca -0.10 0.57 -0.29 0.00 0.00 0.00 0.00 46.02 46.21 2yts n GLY 7 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2yts s THR 8 N 0.00 4.29 0.00 2.61 -1.32 -1.26 -5.11 115.64 114.84 2yts s THR 8 Ca 0.00 -0.97 0.00 0.00 -1.21 0.00 0.00 61.69 59.51 2yts s THR 8 Cb 0.00 -3.10 0.00 0.00 -1.51 0.00 0.00 72.50 67.89 2yts s THR 8 CO 0.00 0.05 0.00 0.61 -2.21 0.00 0.00 174.62 173.07 2yts n GLY 9 N 0.26 5.37 3.34 6.08 0.00 -1.26 -4.96 105.19 114.02 2yts n GLY 9 Ca -0.09 -1.24 -0.18 0.00 0.00 0.00 0.00 46.02 44.50 2yts n GLY 9 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2yts n GLU 10 N 0.00 -6.70 -4.40 1.61 1.02 -1.26 -5.02 120.64 105.89 2yts n GLU 10 Ca 0.00 0.79 -0.26 0.00 -0.02 0.00 0.00 57.16 57.66 2yts n GLU 10 Cb 0.00 -5.66 -0.13 0.00 -0.02 0.00 0.00 31.44 25.63 2yts n GLU 10 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2yts s LYS 11 N -5.65 1.30 0.10 3.49 -0.14 -1.26 -5.05 119.74 112.53 2yts s LYS 11 Ca 0.22 -1.21 -0.15 0.00 -1.36 0.00 0.00 55.97 53.47 2yts s LYS 11 Cb -0.09 -1.64 -0.09 0.00 -1.68 0.00 0.00 37.83 34.33 2yts s LYS 11 CO 0.68 0.39 1.42 -1.00 -0.76 0.00 0.00 175.35 176.08 2yts h PRO 12 N 4.13 0.68 -5.04 -1.68 0.13 -1.95 -3.43 132.00 124.84 2yts h PRO 12 Ca -0.48 -0.35 -0.65 0.00 -0.87 0.00 0.00 66.00 63.65 2yts h PRO 12 Cb 1.17 0.01 -0.34 0.00 0.13 0.00 0.00 31.00 31.97 2yts h PRO 12 CO 0.40 0.96 -0.86 0.71 -0.23 0.00 0.00 178.00 178.98 2yts s TYR 13 N -4.37 2.45 -0.03 1.56 1.51 -1.22 -5.07 117.35 112.18 2yts s TYR 13 Ca -0.12 -1.23 -0.02 0.00 -1.01 0.00 0.00 57.07 54.68 2yts s TYR 13 Cb 0.08 -1.70 0.01 0.00 -0.11 0.00 0.00 41.96 40.25 2yts s TYR 13 CO 0.82 -0.59 0.07 0.42 -1.11 0.00 0.00 175.55 175.16 2yts s ILE 14 N 0.91 -0.01 0.41 2.71 1.09 -1.26 -0.50 121.20 124.56 2yts s ILE 14 Ca -0.06 0.02 -0.23 0.00 -1.10 0.00 0.00 60.65 59.29 2yts s ILE 14 Cb -0.15 -0.10 -0.10 0.00 -1.06 0.00 0.00 42.46 41.05 2yts s ILE 14 CO -0.03 0.01 1.00 0.00 -0.10 0.00 0.00 174.94 175.82 2yts n ASN 16 N -0.32 1.46 -0.04 0.00 3.02 -1.26 -3.23 115.26 114.88 2yts n ASN 16 Ca 0.06 -1.23 -0.20 0.00 -0.03 0.00 0.00 54.58 53.18 2yts n ASN 16 Cb 0.52 0.48 -0.13 0.00 -0.61 0.00 0.00 39.78 40.04 2yts n ASN 16 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 2yts h GLU 17 N 1.51 0.11 0.00 3.52 3.07 -1.98 -3.43 114.58 117.39 2yts h GLU 17 Ca 0.00 -0.19 -0.12 0.00 -0.50 0.00 0.00 59.36 58.55 2yts h GLU 17 Cb 0.47 0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 28.43 2yts h GLU 17 CO 0.00 1.09 -1.44 0.00 -1.40 0.00 0.00 179.01 177.26 2yts n GLY 19 N 3.07 1.83 3.85 0.00 0.00 -1.20 -5.08 105.19 107.67 2yts n GLY 19 Ca -0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 2yts n GLY 19 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2yts s LYS 20 N -0.20 3.26 -0.08 1.61 2.47 -1.26 -4.75 119.74 120.78 2yts s LYS 20 Ca 0.00 0.81 0.03 0.00 -1.56 0.00 0.00 55.97 55.25 2yts s LYS 20 Cb 0.00 -2.04 0.01 0.00 -1.46 0.00 0.00 37.83 34.34 2yts s LYS 20 CO 0.00 -0.83 -0.18 -1.54 0.16 0.00 0.00 175.35 172.96 2yts s SER 21 N -4.03 2.42 0.38 1.43 1.04 -1.26 -0.08 113.70 113.59 2yts s SER 21 Ca 0.56 -0.43 0.04 0.00 0.48 0.00 0.00 55.95 56.60 2yts s SER 21 Cb -0.12 -1.11 -0.04 0.00 0.10 0.00 0.00 66.02 64.85 2yts s SER 21 CO 0.54 0.09 0.08 -0.36 0.98 0.00 0.00 173.24 174.58 2yts s PHE 22 N 0.55 1.88 -0.01 5.02 0.08 0.35 -5.00 117.98 120.85 2yts s PHE 22 Ca -0.16 -1.10 0.01 0.00 0.12 0.00 0.00 56.93 55.80 2yts s PHE 22 Cb -0.17 -1.26 -0.01 0.00 -0.57 0.00 0.00 43.02 41.01 2yts s PHE 22 CO 0.06 -0.10 0.01 0.44 -0.10 0.00 0.00 175.22 175.52 2yts n ILE 23 N -0.84 0.06 -3.95 0.64 -0.00 -1.26 -3.40 119.36 110.61 2yts n ILE 23 Ca -0.05 -0.04 -0.32 0.00 -0.00 0.00 0.00 62.75 62.34 2yts n ILE 23 Cb 0.66 -0.83 -0.05 0.00 -0.00 0.00 0.00 39.64 39.42 2yts n ILE 23 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.55 174.97 2yts s GLN 24 N -2.03 3.31 0.02 6.28 2.00 -1.26 -4.83 119.66 123.16 2yts s GLN 24 Ca -0.00 -0.46 -0.25 0.00 -2.00 0.00 0.00 55.36 52.65 2yts s GLN 24 Cb 0.00 -2.99 -0.18 0.00 0.80 0.00 0.00 33.01 30.65 2yts s GLN 24 CO 0.04 0.62 1.44 0.87 -0.50 0.00 0.00 175.29 177.76 2yts h LYS 25 N 3.38 -0.02 -0.56 1.67 1.57 -2.00 -2.76 116.57 117.86 2yts h LYS 25 Ca -0.47 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.32 2yts h LYS 25 Cb 1.17 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.46 2yts h LYS 25 CO 0.71 0.28 0.37 0.77 -0.57 0.00 0.00 179.45 181.02 2yts h SER 26 N -0.32 0.64 -0.99 0.86 0.02 -1.98 -0.02 113.55 111.77 2yts h SER 26 Ca -0.00 -0.02 0.14 0.00 -0.84 0.00 0.00 61.79 61.07 2yts h SER 26 Cb 0.31 -0.16 -0.09 0.00 0.14 0.00 0.00 62.40 62.60 2yts h SER 26 CO 0.00 0.47 0.61 0.45 -1.14 0.00 0.00 176.83 177.22 2yts h HIS 27 N 0.76 1.10 0.23 3.45 3.86 -1.97 0.35 115.15 122.92 2yts h HIS 27 Ca 0.20 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.44 2yts h HIS 27 Cb -0.09 -0.34 0.00 0.00 1.06 0.00 0.00 27.41 28.04 2yts h HIS 27 CO -0.04 0.38 -0.11 1.25 0.86 0.00 0.00 177.93 180.28 2yts h LEU 28 N 0.91 -0.26 -1.16 2.43 5.85 -1.11 -2.64 115.31 119.33 2yts h LEU 28 Ca 0.51 -0.01 0.23 0.00 0.84 0.00 0.00 57.88 59.46 2yts h LEU 28 Cb 0.59 0.07 -0.11 0.00 0.37 0.00 0.00 40.66 41.58 2yts h LEU 28 CO -0.30 0.20 0.62 -1.13 -0.34 0.00 0.00 178.44 177.50 2yts h ASN 29 N -1.08 0.62 1.10 1.25 -1.24 -0.86 0.89 115.58 116.26 2yts h ASN 29 Ca -0.03 0.10 -0.04 0.00 0.71 0.00 0.00 56.30 57.04 2yts h ASN 29 Cb 0.26 -0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.30 2yts h ASN 29 CO 0.05 0.15 -0.18 -0.09 -1.29 0.00 0.00 177.43 176.07 2yts h ARG 30 N 0.56 0.00 0.12 6.67 2.43 -0.40 -3.21 114.38 120.56 2yts h ARG 30 Ca 0.60 0.00 -0.27 0.00 -0.81 0.00 0.00 59.98 59.50 2yts h ARG 30 Cb 1.22 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.77 2yts h ARG 30 CO -0.37 0.18 -1.33 1.25 -1.51 0.00 0.00 179.97 178.19 2yts h HIS 31 N 0.00 0.48 0.00 2.20 2.76 0.10 -3.31 115.15 117.37 2yts h HIS 31 Ca -0.00 -0.35 0.00 0.00 -2.20 0.00 0.00 60.37 57.82 2yts h HIS 31 Cb 0.78 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 29.72 2yts h HIS 31 CO 0.00 1.52 0.49 0.00 -1.30 0.00 0.00 177.93 178.64 2yts h ARG 32 N -0.30 0.00 -0.26 5.26 3.08 -0.56 0.11 114.38 121.71 2yts h ARG 32 Ca -0.28 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.75 2yts h ARG 32 Cb 1.76 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.80 2yts h ARG 32 CO 0.08 0.00 0.06 0.00 -1.07 0.00 0.00 179.97 179.04 2yts h ARG 33 N 0.00 0.41 -1.29 0.04 2.47 -1.65 -2.88 114.38 111.48 2yts h ARG 33 Ca 0.00 -0.10 0.40 0.00 -1.26 0.00 0.00 59.98 59.02 2yts h ARG 33 Cb 0.98 -0.05 -0.08 0.00 -1.65 0.00 0.00 29.97 29.17 2yts h ARG 33 CO 0.00 0.51 0.89 0.44 0.56 0.00 0.00 179.97 182.38 2yts n ILE 34 N -4.71 -0.09 -0.01 2.04 -5.35 0.36 -1.28 119.36 110.33 2yts n ILE 34 Ca -0.03 1.24 -0.00 0.00 -0.27 0.00 0.00 62.75 63.68 2yts n ILE 34 Cb 0.18 -2.04 -0.00 0.00 -1.74 0.00 0.00 39.64 36.04 2yts n ILE 34 CO 0.00 0.00 0.00 0.45 -1.76 0.00 0.00 176.55 175.24 2yts h HIS 35 N 0.00 0.00 -1.52 4.28 3.86 -1.69 -3.44 115.15 116.64 2yts h HIS 35 Ca 0.69 0.00 -0.56 0.00 -1.16 0.00 0.00 60.37 59.35 2yts h HIS 35 Cb 2.54 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 31.00 2yts h HIS 35 CO -0.00 0.00 1.55 0.25 0.86 0.00 0.00 177.93 180.59 2yts n THR 36 N -2.39 0.13 0.00 2.45 -2.24 -0.41 -3.42 114.28 108.40 2yts n THR 36 Ca -0.00 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 2yts n THR 36 Cb 0.02 -2.32 0.00 0.00 -2.10 0.00 0.00 70.33 65.93 2yts n THR 36 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2yts n GLY 37 N 6.08 0.83 2.36 3.38 0.00 -1.26 -4.79 105.19 111.78 2yts n GLY 37 Ca 0.37 -0.76 -0.31 0.00 0.00 0.00 0.00 46.02 45.32 2yts n GLY 37 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2yts n GLU 38 N 0.00 3.08 -3.66 1.61 0.28 -1.22 -4.96 120.64 115.77 2yts n GLU 38 Ca 0.00 -3.77 -0.14 0.00 -0.16 0.00 0.00 57.16 53.09 2yts n GLU 38 Cb 0.00 -2.28 -0.08 0.00 1.43 0.00 0.00 31.44 30.51 2yts n GLU 38 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 177.13 175.38 2yts s LYS 39 N -3.77 0.73 -0.45 3.44 0.00 -1.26 -5.12 119.74 113.31 2yts s LYS 39 Ca 0.56 0.63 -0.28 0.00 0.00 0.00 0.00 55.97 56.88 2yts s LYS 39 Cb 0.45 0.35 -0.02 0.00 0.00 0.00 0.00 37.83 38.62 2yts s LYS 39 CO -0.09 -0.12 1.77 -1.25 0.00 0.00 0.00 175.35 175.65 2yts s PRO 40 N -0.06 3.09 0.06 1.78 0.04 -1.26 -4.91 135.00 133.75 2yts s PRO 40 Ca -0.03 1.04 -0.28 0.00 0.04 0.00 0.00 61.00 61.77 2yts s PRO 40 Cb -0.04 -4.25 0.09 0.00 0.04 0.00 0.00 34.50 30.35 2yts s PRO 40 CO 0.02 -2.16 1.14 -1.12 0.04 0.00 0.00 177.00 174.93 2yts s SER 41 N 6.57 -0.10 -0.46 6.66 0.01 -1.26 -5.09 113.70 120.03 2yts s SER 41 Ca 0.72 -0.28 0.08 0.00 1.31 0.00 0.00 55.95 57.79 2yts s SER 41 Cb -0.17 0.31 0.31 0.00 0.21 0.00 0.00 66.02 66.67 2yts s SER 41 CO 0.28 -0.58 0.72 0.61 0.41 0.00 0.00 173.24 174.69 2yts n GLY 42 N -0.51 4.04 3.76 3.44 0.00 -1.26 -5.10 105.19 109.56 2yts n GLY 42 Ca -0.07 -2.07 -0.41 0.00 0.00 0.00 0.00 46.02 43.48 2yts n GLY 42 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yts s PRO 43 N -2.33 4.46 0.03 1.61 0.04 -1.26 -4.98 135.00 132.57 2yts s PRO 43 Ca 0.41 2.06 -0.30 0.00 0.04 0.00 0.00 61.00 63.21 2yts s PRO 43 Cb 0.25 -3.12 -0.16 0.00 0.04 0.00 0.00 34.50 31.51 2yts s PRO 43 CO -0.09 -0.05 1.27 1.03 0.04 0.00 0.00 177.00 179.20 2yts h SER 44 N 3.70 -0.90 -3.43 6.66 0.87 -2.09 -3.43 113.55 114.94 2yts h SER 44 Ca -0.48 0.03 -0.66 0.00 -1.23 0.00 0.00 61.79 59.45 2yts h SER 44 Cb 1.22 0.23 -0.26 0.00 -0.44 0.00 0.00 62.40 63.15 2yts h SER 44 CO 0.67 -0.56 -0.77 -0.44 -0.53 0.00 0.00 176.83 175.20 2yts s SER 45 N -4.14 4.00 0.00 6.23 0.01 -1.26 -5.34 113.70 113.19 2yts s SER 45 Ca -0.16 -0.31 0.00 0.00 1.31 0.00 0.00 55.95 56.79 2yts s SER 45 Cb 0.02 -1.49 0.00 0.00 0.21 0.00 0.00 66.02 64.75 2yts s SER 45 CO 0.47 0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.92