#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 -0.28 0.07 1.61 0.01 -1.26 -5.06 113.70 108.79 2yts s SER 2 Ca 0.00 0.55 -0.28 0.00 1.31 0.00 0.00 55.95 57.53 2yts s SER 2 Cb 0.00 0.44 -0.17 0.00 0.21 0.00 0.00 66.02 66.50 2yts s SER 2 CO 0.00 -0.16 1.64 0.77 0.41 0.00 0.00 173.24 175.89 2yts h SER 3 N 7.12 -0.40 -5.75 2.44 4.64 -2.14 -3.48 113.55 115.99 2yts h SER 3 Ca -0.40 -0.01 -0.16 0.00 -0.47 0.00 0.00 61.79 60.76 2yts h SER 3 Cb 1.16 0.10 0.02 0.00 -0.31 0.00 0.00 62.40 63.37 2yts h SER 3 CO 0.37 -0.26 -0.37 0.61 -0.87 0.00 0.00 176.83 176.32 2yts n GLY 4 N -1.19 -1.24 3.77 -0.77 0.00 -1.26 -4.96 105.19 99.53 2yts n GLY 4 Ca -0.10 0.51 -0.38 0.00 0.00 0.00 0.00 46.02 46.04 2yts n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yts s SER 5 N -3.05 6.82 -0.29 1.61 0.15 -1.26 -5.06 113.70 112.61 2yts s SER 5 Ca 0.06 0.98 -0.05 0.00 0.70 0.00 0.00 55.95 57.64 2yts s SER 5 Cb -0.02 -2.30 0.02 0.00 -1.71 0.00 0.00 66.02 62.01 2yts s SER 5 CO 0.79 0.13 0.05 -0.44 1.20 0.00 0.00 173.24 174.97 2yts s SER 6 N -0.17 4.98 0.00 5.45 0.01 -1.26 -5.03 113.70 117.69 2yts s SER 6 Ca 0.27 -0.88 0.00 0.00 1.31 0.00 0.00 55.95 56.65 2yts s SER 6 Cb -0.17 -1.82 0.00 0.00 0.21 0.00 0.00 66.02 64.24 2yts s SER 6 CO 0.14 -0.21 0.74 0.61 0.41 0.00 0.00 173.24 174.93 2yts n GLY 7 N 4.79 -2.69 3.06 3.44 0.00 -1.26 -4.63 105.19 107.90 2yts n GLY 7 Ca -0.14 0.52 -0.13 0.00 0.00 0.00 0.00 46.02 46.27 2yts n GLY 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2yts s THR 8 N -2.59 -0.03 0.00 2.61 -4.23 -1.26 -5.06 115.64 105.08 2yts s THR 8 Ca 0.00 0.10 0.00 0.00 -1.18 0.00 0.00 61.69 60.61 2yts s THR 8 Cb 0.00 -0.35 0.00 0.00 1.34 0.00 0.00 72.50 73.49 2yts s THR 8 CO 0.00 0.04 0.00 0.61 -0.54 0.00 0.00 174.62 174.73 2yts n GLY 9 N 3.83 -1.85 2.40 3.99 0.00 -1.26 -5.04 105.19 107.25 2yts n GLY 9 Ca -0.21 0.83 -0.31 0.00 0.00 0.00 0.00 46.02 46.32 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 3.12 -4.19 1.61 1.02 -1.26 -5.00 120.64 115.93 2yts n GLU 10 Ca 0.00 -3.84 -0.29 0.00 -0.02 0.00 0.00 57.16 53.02 2yts n GLU 10 Cb 0.00 -2.27 -0.09 0.00 -0.02 0.00 0.00 31.44 29.06 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 -3.76 2.34 -0.01 3.49 3.01 -1.26 -5.05 119.74 118.49 2yts s LYS 11 Ca 0.55 -1.00 -0.25 0.00 -1.01 0.00 0.00 55.97 54.26 2yts s LYS 11 Cb 0.44 -2.39 -0.19 0.00 -1.01 0.00 0.00 37.83 34.68 2yts s LYS 11 CO -0.12 0.50 1.28 -1.00 0.51 0.00 0.00 175.35 176.52 2yts h PRO 12 N 3.26 0.06 -5.71 -1.68 0.13 -1.95 -3.43 132.00 122.69 2yts h PRO 12 Ca -0.48 -0.03 -0.59 0.00 -0.87 0.00 0.00 66.00 64.03 2yts h PRO 12 Cb 1.18 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.22 2yts h PRO 12 CO 0.56 0.53 0.19 0.71 -0.23 0.00 0.00 178.00 179.77 2yts s TYR 13 N -4.25 3.37 -0.05 1.56 2.02 -1.26 -5.05 117.35 113.69 2yts s TYR 13 Ca -0.16 0.99 -0.04 0.00 -0.37 0.00 0.00 57.07 57.50 2yts s TYR 13 Cb 0.02 -2.86 0.02 0.00 -0.40 0.00 0.00 41.96 38.75 2yts s TYR 13 CO 0.69 -0.21 0.13 0.42 -1.57 0.00 0.00 175.55 175.01 2yts s ILE 14 N 2.05 -0.02 0.76 2.71 1.01 -1.26 -2.10 121.20 124.36 2yts s ILE 14 Ca 0.31 0.06 -0.11 0.00 0.00 0.00 0.00 60.65 60.90 2yts s ILE 14 Cb -0.16 -0.20 0.05 0.00 0.01 0.00 0.00 42.46 42.16 2yts s ILE 14 CO 0.10 0.02 1.08 0.00 0.00 0.00 0.00 174.94 176.15 2yts n ASN 16 N -3.37 2.77 0.27 0.00 3.02 -1.26 -3.78 115.26 112.91 2yts n ASN 16 Ca 0.08 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 54.51 2yts n ASN 16 Cb 0.54 0.84 -0.05 0.00 -0.61 0.00 0.00 39.78 40.50 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 0.00 -0.71 0.02 3.52 4.39 -1.97 -3.40 114.58 116.43 2yts h GLU 17 Ca -0.21 0.05 -0.37 0.00 0.34 0.00 0.00 59.36 59.17 2yts h GLU 17 Cb 1.38 0.16 -0.05 0.00 -0.10 0.00 0.00 28.75 30.14 2yts h GLU 17 CO 0.01 -0.48 -2.13 0.00 -1.16 0.00 0.00 179.01 175.26 2yts n GLY 19 N 1.69 0.66 3.84 0.00 0.00 -1.25 -5.06 105.19 105.08 2yts n GLY 19 Ca -0.43 -0.30 -0.21 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.07 2.63 0.16 1.61 2.20 -1.26 -4.83 119.74 120.18 2yts s LYS 20 Ca 0.00 -1.39 0.09 0.00 -0.36 0.00 0.00 55.97 54.31 2yts s LYS 20 Cb 0.00 -2.41 -0.04 0.00 -1.51 0.00 0.00 37.83 33.87 2yts s LYS 20 CO 0.00 0.02 -0.10 -1.54 -0.36 0.00 0.00 175.35 173.37 2yts s SER 21 N -4.01 4.26 0.21 1.43 1.04 -1.26 -1.30 113.70 114.06 2yts s SER 21 Ca 0.42 -0.54 -0.07 0.00 0.48 0.00 0.00 55.95 56.24 2yts s SER 21 Cb -0.05 -0.73 -0.02 0.00 0.10 0.00 0.00 66.02 65.32 2yts s SER 21 CO 0.26 0.12 0.29 -0.36 0.98 0.00 0.00 173.24 174.54 2yts s PHE 22 N -1.59 0.67 -0.19 5.02 0.08 -0.89 -5.01 117.98 116.07 2yts s PHE 22 Ca 0.24 -0.98 0.06 0.00 0.12 0.00 0.00 56.93 56.37 2yts s PHE 22 Cb -0.09 -0.15 -0.08 0.00 -0.57 0.00 0.00 43.02 42.13 2yts s PHE 22 CO 0.15 -0.79 0.22 0.44 -0.10 0.00 0.00 175.22 175.14 2yts n ILE 23 N -0.29 0.00 -5.25 0.64 -5.35 -1.26 -4.23 119.36 103.62 2yts n ILE 23 Ca -0.02 -0.28 -0.31 0.00 -0.27 0.00 0.00 62.75 61.87 2yts n ILE 23 Cb 0.64 0.78 -0.16 0.00 -1.74 0.00 0.00 39.64 39.16 2yts n ILE 23 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 2yts s GLN 24 N -1.86 2.06 0.14 6.28 -1.52 -1.26 -5.03 119.66 118.47 2yts s GLN 24 Ca 0.01 -0.95 -0.15 0.00 -1.95 0.00 0.00 55.36 52.32 2yts s GLN 24 Cb 0.04 -2.03 0.01 0.00 -0.22 0.00 0.00 33.01 30.82 2yts s GLN 24 CO 0.25 0.55 1.67 -0.22 -0.25 0.00 0.00 175.29 177.30 2yts h LYS 25 N 5.40 0.68 -0.60 2.91 3.64 -2.00 -2.80 116.57 123.79 2yts h LYS 25 Ca -0.43 -0.14 -0.05 0.00 -1.27 0.00 0.00 60.65 58.76 2yts h LYS 25 Cb 1.12 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.81 2yts h LYS 25 CO 0.47 0.65 0.17 0.77 -2.27 0.00 0.00 179.45 179.23 2yts h SER 26 N 0.58 0.86 -0.88 4.20 0.02 -1.98 -1.35 113.55 114.99 2yts h SER 26 Ca 0.15 -0.15 0.06 0.00 -0.84 0.00 0.00 61.79 61.01 2yts h SER 26 Cb 0.24 -0.22 -0.06 0.00 0.14 0.00 0.00 62.40 62.49 2yts h SER 26 CO -0.01 0.82 0.55 0.45 -1.14 0.00 0.00 176.83 177.51 2yts h HIS 27 N 0.89 1.02 0.21 3.45 3.86 -1.92 -0.03 115.15 122.62 2yts h HIS 27 Ca 0.20 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.43 2yts h HIS 27 Cb 0.29 -0.33 0.00 0.00 1.06 0.00 0.00 27.41 28.43 2yts h HIS 27 CO 0.02 0.51 -0.10 1.25 0.86 0.00 0.00 177.93 180.47 2yts h LEU 28 N 1.00 -0.23 -1.95 2.43 5.85 -1.28 -1.22 115.31 119.91 2yts h LEU 28 Ca 0.39 0.01 0.39 0.00 0.84 0.00 0.00 57.88 59.51 2yts h LEU 28 Cb 0.18 0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.21 2yts h LEU 28 CO -0.18 0.14 0.97 -1.13 -0.34 0.00 0.00 178.44 177.91 2yts h ASN 29 N -0.90 0.03 0.99 1.25 -1.24 -1.24 1.52 115.58 115.98 2yts h ASN 29 Ca -0.03 0.01 -0.11 0.00 0.71 0.00 0.00 56.30 56.88 2yts h ASN 29 Cb 0.21 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.25 2yts h ASN 29 CO 0.05 -0.00 -1.07 -0.09 -1.29 0.00 0.00 177.43 175.02 2yts h ARG 30 N 0.02 0.00 0.11 6.67 2.43 -1.05 -3.37 114.38 119.19 2yts h ARG 30 Ca 0.66 0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 59.67 2yts h ARG 30 Cb 2.58 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 32.15 2yts h ARG 30 CO -0.03 0.24 -0.68 1.25 -1.51 0.00 0.00 179.97 179.23 2yts h HIS 31 N 0.00 0.48 0.00 2.20 2.76 0.32 -3.25 115.15 117.66 2yts h HIS 31 Ca -0.09 -0.34 0.00 0.00 -2.20 0.00 0.00 60.37 57.75 2yts h HIS 31 Cb 1.37 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 30.31 2yts h HIS 31 CO 0.00 1.25 0.65 0.00 -1.30 0.00 0.00 177.93 178.53 2yts h ARG 32 N -0.43 0.00 -0.19 5.26 3.08 -0.69 0.58 114.38 121.98 2yts h ARG 32 Ca -0.12 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.79 2yts h ARG 32 Cb 1.52 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.57 2yts h ARG 32 CO 0.13 0.00 -0.42 0.00 -1.07 0.00 0.00 179.97 178.61 2yts h ARG 33 N 0.00 0.63 -1.35 0.04 2.47 -1.74 -3.17 114.38 111.25 2yts h ARG 33 Ca 0.00 -0.42 0.42 0.00 -1.26 0.00 0.00 59.98 58.72 2yts h ARG 33 Cb 1.30 0.06 -0.08 0.00 -1.65 0.00 0.00 29.97 29.60 2yts h ARG 33 CO 0.00 1.04 0.94 0.44 0.56 0.00 0.00 179.97 182.95 2yts n ILE 34 N -4.22 -0.07 -0.09 2.04 -5.35 0.20 0.10 119.36 111.96 2yts n ILE 34 Ca -0.06 1.24 -0.18 0.00 -0.27 0.00 0.00 62.75 63.48 2yts n ILE 34 Cb 0.55 -2.06 -0.11 0.00 -1.74 0.00 0.00 39.64 36.28 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 -6.04 4.28 3.86 -1.71 -3.47 115.15 112.07 2yts h HIS 35 Ca 0.71 0.00 -0.42 0.00 -1.16 0.00 0.00 60.37 59.50 2yts h HIS 35 Cb 2.64 0.00 -0.26 0.00 1.06 0.00 0.00 27.41 30.86 2yts h HIS 35 CO -0.00 1.23 -0.60 -2.37 0.86 0.00 0.00 177.93 177.05 2yts n THR 36 N -4.51 0.00 -3.41 2.45 5.66 0.28 -4.84 114.28 109.92 2yts n THR 36 Ca -0.23 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.34 2yts n THR 36 Cb 0.58 -0.33 -0.09 0.00 -1.55 0.00 0.00 70.33 68.94 2yts n THR 36 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2yts s GLY 37 N -2.62 1.97 -0.13 1.09 0.00 -1.26 -5.03 107.32 101.35 2yts s GLY 37 Ca 0.55 -1.65 -0.30 0.00 0.00 0.00 0.00 44.72 43.33 2yts s GLY 37 CO 0.68 1.02 0.80 -1.83 0.00 0.00 0.00 173.10 173.77 2yts s GLU 38 N 1.85 0.86 -0.74 2.90 -1.05 -1.26 -5.11 118.70 116.15 2yts s GLU 38 Ca 0.08 0.34 0.04 0.00 -0.15 0.00 0.00 54.97 55.28 2yts s GLU 38 Cb -0.18 0.41 0.18 0.00 -0.44 0.00 0.00 34.13 34.10 2yts s GLU 38 CO 0.11 -0.24 0.57 1.17 0.95 0.00 0.00 175.26 177.82 2yts n LYS 39 N 1.17 2.04 -2.05 -4.83 4.81 -1.26 -5.04 118.16 113.00 2yts n LYS 39 Ca -0.15 -4.51 -0.27 0.00 -0.87 0.00 0.00 58.31 52.51 2yts n LYS 39 Cb 0.57 -2.31 -0.05 0.00 0.02 0.00 0.00 35.03 33.26 2yts n LYS 39 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2yts s PRO 40 N -1.53 2.56 -0.01 1.64 0.04 -1.26 -4.91 135.00 131.53 2yts s PRO 40 Ca 0.26 -0.31 -0.02 0.00 0.04 0.00 0.00 61.00 60.98 2yts s PRO 40 Cb -0.04 -5.07 -0.00 0.00 0.04 0.00 0.00 34.50 29.44 2yts s PRO 40 CO -0.15 -3.39 0.04 0.45 0.04 0.00 0.00 177.00 173.99 2yts s SER 41 N 8.00 0.01 0.00 6.66 0.15 -1.26 -5.03 113.70 122.23 2yts s SER 41 Ca 0.70 -0.03 0.00 0.00 0.70 0.00 0.00 55.95 57.32 2yts s SER 41 Cb -0.07 0.10 0.00 0.00 -1.71 0.00 0.00 66.02 64.34 2yts s SER 41 CO -0.01 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 174.96 2yts n GLY 42 N 2.71 -1.42 0.17 9.45 0.00 -1.26 -4.14 105.19 110.70 2yts n GLY 42 Ca -0.15 -1.61 0.14 0.00 0.00 0.00 0.00 46.02 44.40 2yts n GLY 42 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yts h PRO 43 N 0.00 0.00 -5.69 1.61 0.13 -2.02 -3.40 132.00 122.64 2yts h PRO 43 Ca 0.00 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.51 2yts h PRO 43 Cb 0.00 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 31.00 2yts h PRO 43 CO 0.00 0.00 0.88 -1.12 -0.23 0.00 0.00 178.00 177.53 2yts s SER 44 N -4.65 6.31 0.00 1.44 0.01 -1.26 -4.77 113.70 110.77 2yts s SER 44 Ca 0.03 -1.14 0.19 0.00 1.31 0.00 0.00 55.95 56.34 2yts s SER 44 Cb 0.09 -2.47 -0.10 0.00 0.21 0.00 0.00 66.02 63.75 2yts s SER 44 CO 0.43 -1.47 0.87 -1.54 0.41 0.00 0.00 173.24 171.94 2yts n SER 45 N 8.07 1.35 0.00 2.44 3.41 -1.26 -4.02 113.62 123.60 2yts n SER 45 Ca 0.09 -1.17 0.00 0.00 -0.26 0.00 0.00 58.87 57.53 2yts n SER 45 Cb 0.48 0.74 0.00 0.00 -0.26 0.00 0.00 64.21 65.16 2yts n SER 45 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49