#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 4.35 -0.30 1.61 0.15 -1.26 -5.15 113.70 113.10 2yts s SER 2 Ca 0.00 -1.37 -0.17 0.00 0.70 0.00 0.00 55.95 55.11 2yts s SER 2 Cb 0.00 0.19 0.18 0.00 -1.71 0.00 0.00 66.02 64.68 2yts s SER 2 CO 0.00 -0.84 1.14 -0.55 1.20 0.00 0.00 173.24 174.19 2yts s SER 3 N -4.00 -0.33 0.00 5.45 0.15 -1.26 -5.16 113.70 108.55 2yts s SER 3 Ca 0.25 0.45 0.00 0.00 0.70 0.00 0.00 55.95 57.35 2yts s SER 3 Cb 0.01 1.37 0.00 0.00 -1.71 0.00 0.00 66.02 65.70 2yts s SER 3 CO 0.14 -0.06 0.00 0.61 1.20 0.00 0.00 173.24 175.13 2yts n GLY 4 N 4.76 0.64 3.33 9.45 0.00 -1.26 -5.11 105.19 117.00 2yts n GLY 4 Ca -0.08 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.00 2.58 -0.13 1.61 0.15 -1.26 -5.14 113.70 110.51 2yts s SER 5 Ca 0.00 -0.92 0.01 0.00 0.70 0.00 0.00 55.95 55.74 2yts s SER 5 Cb 0.00 -0.14 -0.01 0.00 -1.71 0.00 0.00 66.02 64.16 2yts s SER 5 CO 0.00 -0.10 -0.17 -0.55 1.20 0.00 0.00 173.24 173.62 2yts s SER 6 N -2.91 3.65 0.00 5.45 0.15 -1.26 -4.78 113.70 114.00 2yts s SER 6 Ca 0.18 -0.43 0.00 0.00 0.70 0.00 0.00 55.95 56.40 2yts s SER 6 Cb -0.04 -1.54 0.00 0.00 -1.71 0.00 0.00 66.02 62.73 2yts s SER 6 CO 0.06 0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.26 2yts n GLY 7 N 3.67 0.00 3.62 9.45 0.00 -1.26 -4.93 105.19 115.73 2yts n GLY 7 Ca -0.19 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.62 2yts n GLY 7 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2yts n THR 8 N 0.00 -4.48 -3.01 2.61 -1.04 -1.26 -4.60 114.28 102.50 2yts n THR 8 Ca 0.00 -0.36 0.00 0.00 -2.04 0.00 0.00 64.05 61.65 2yts n THR 8 Cb 0.00 -4.12 0.00 0.00 -1.82 0.00 0.00 70.33 64.39 2yts n THR 8 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2yts n GLY 9 N -1.50 1.47 3.86 3.41 0.00 -1.26 -4.75 105.19 106.41 2yts n GLY 9 Ca -0.21 -0.63 -0.36 0.00 0.00 0.00 0.00 46.02 44.82 2yts n GLY 9 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2yts s GLU 10 N 0.00 3.80 0.15 1.61 0.41 -1.26 -4.91 118.70 118.49 2yts s GLU 10 Ca 0.00 0.24 -0.01 0.00 -0.41 0.00 0.00 54.97 54.80 2yts s GLU 10 Cb 0.00 -3.09 -0.04 0.00 -1.78 0.00 0.00 34.13 29.21 2yts s GLU 10 CO 0.00 0.62 0.33 0.15 -0.49 0.00 0.00 175.26 175.87 2yts s LYS 11 N -1.54 3.50 0.19 1.61 1.02 -1.26 -5.02 119.74 118.24 2yts s LYS 11 Ca 0.28 -0.37 -0.05 0.00 0.02 0.00 0.00 55.97 55.85 2yts s LYS 11 Cb -0.15 -2.91 0.11 0.00 -0.52 0.00 0.00 37.83 34.36 2yts s LYS 11 CO 0.15 0.48 1.54 -1.00 -0.92 0.00 0.00 175.35 175.60 2yts h PRO 12 N 2.39 0.70 -5.85 -1.68 0.13 -1.92 -3.43 132.00 122.35 2yts h PRO 12 Ca -0.47 -0.37 -0.69 0.00 -0.87 0.00 0.00 66.00 63.60 2yts h PRO 12 Cb 1.18 0.01 -0.32 0.00 0.13 0.00 0.00 31.00 32.01 2yts h PRO 12 CO 0.71 0.99 -0.88 0.71 -0.23 0.00 0.00 178.00 179.29 2yts s TYR 13 N -4.28 2.48 -0.25 1.56 2.02 -1.24 -5.07 117.35 112.57 2yts s TYR 13 Ca -0.09 -0.80 -0.06 0.00 -0.37 0.00 0.00 57.07 55.76 2yts s TYR 13 Cb 0.12 -1.63 0.13 0.00 -0.40 0.00 0.00 41.96 40.17 2yts s TYR 13 CO 0.85 -0.26 0.49 0.42 -1.57 0.00 0.00 175.55 175.48 2yts s ILE 14 N -0.04 -0.78 -0.23 2.71 1.01 -1.26 -0.95 121.20 121.67 2yts s ILE 14 Ca -0.07 0.05 -0.28 0.00 0.00 0.00 0.00 60.65 60.34 2yts s ILE 14 Cb -0.15 -0.83 -0.04 0.00 0.01 0.00 0.00 42.46 41.45 2yts s ILE 14 CO 0.05 -0.00 2.06 0.00 0.00 0.00 0.00 174.94 177.05 2yts h ASN 16 N 13.97 0.30 -0.20 0.00 -0.73 -1.94 0.81 115.58 127.79 2yts h ASN 16 Ca -0.39 -0.23 0.06 0.00 1.87 0.00 0.00 56.30 57.60 2yts h ASN 16 Cb 1.22 -0.09 -0.07 0.00 0.27 0.00 0.00 38.32 39.64 2yts h ASN 16 CO 0.98 1.01 -0.31 -0.33 -0.37 0.00 0.00 177.43 178.41 2yts h GLU 17 N 0.14 -0.33 0.00 6.67 5.08 -1.97 -3.33 114.58 120.84 2yts h GLU 17 Ca -0.04 0.02 -0.39 0.00 -1.00 0.00 0.00 59.36 57.95 2yts h GLU 17 Cb 1.44 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 30.71 2yts h GLU 17 CO 0.13 -0.22 -2.38 0.00 -1.00 0.00 0.00 179.01 175.54 2yts n GLY 19 N 1.84 2.00 3.93 0.00 0.00 0.27 -5.09 105.19 108.14 2yts n GLY 19 Ca -0.46 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.02 3.09 -0.08 1.61 2.20 -0.78 -4.83 119.74 120.94 2yts s LYS 20 Ca 0.00 -0.12 0.02 0.00 -0.36 0.00 0.00 55.97 55.51 2yts s LYS 20 Cb 0.00 -2.39 0.01 0.00 -1.51 0.00 0.00 37.83 33.95 2yts s LYS 20 CO 0.00 -0.46 -0.14 -1.12 -0.36 0.00 0.00 175.35 173.27 2yts s SER 21 N -4.23 2.09 0.26 1.43 0.01 -1.26 0.94 113.70 112.93 2yts s SER 21 Ca 0.51 -0.36 0.01 0.00 1.31 0.00 0.00 55.95 57.42 2yts s SER 21 Cb -0.10 -0.95 -0.00 0.00 0.21 0.00 0.00 66.02 65.17 2yts s SER 21 CO 0.43 0.04 0.05 0.49 0.41 0.00 0.00 173.24 174.65 2yts n PHE 22 N 3.90 0.34 0.00 2.43 3.72 -0.12 -4.97 117.46 122.75 2yts n PHE 22 Ca -0.21 -1.46 0.00 0.00 -0.05 0.00 0.00 57.45 55.73 2yts n PHE 22 Cb 0.52 -0.08 0.00 0.00 -0.94 0.00 0.00 39.48 38.97 2yts n PHE 22 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 176.76 177.15 2yts n ILE 23 N -0.61 0.00 -3.55 4.37 -6.64 -1.26 -3.72 119.36 107.95 2yts n ILE 23 Ca -0.07 0.00 -0.37 0.00 -1.77 0.00 0.00 62.75 60.54 2yts n ILE 23 Cb 0.35 -0.44 -0.08 0.00 -1.44 0.00 0.00 39.64 38.03 2yts n ILE 23 CO 0.00 0.00 0.00 -1.10 -1.77 0.00 0.00 176.55 173.68 2yts s GLN 24 N -1.79 4.20 0.61 6.28 -1.52 -1.26 -4.73 119.66 121.46 2yts s GLN 24 Ca 0.00 0.02 0.20 0.00 -1.95 0.00 0.00 55.36 53.63 2yts s GLN 24 Cb 0.00 -3.47 1.07 0.00 -0.22 0.00 0.00 33.01 30.39 2yts s GLN 24 CO 0.00 0.15 1.58 1.57 -0.25 0.00 0.00 175.29 178.34 2yts h LYS 25 N 6.98 0.00 0.04 2.91 -0.00 -1.99 0.13 116.57 124.63 2yts h LYS 25 Ca -0.39 0.00 -0.11 0.00 -0.00 0.00 0.00 60.65 60.14 2yts h LYS 25 Cb 1.16 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 33.39 2yts h LYS 25 CO 0.73 0.00 -0.56 0.77 -0.00 0.00 0.00 179.45 180.39 2yts h SER 26 N 0.00 0.12 -0.87 7.07 0.02 -1.98 -2.64 113.55 115.27 2yts h SER 26 Ca 0.00 -0.87 0.19 0.00 -0.84 0.00 0.00 61.79 60.27 2yts h SER 26 Cb 1.00 -0.04 -0.11 0.00 0.14 0.00 0.00 62.40 63.39 2yts h SER 26 CO 0.00 1.24 0.39 0.45 -1.14 0.00 0.00 176.83 177.77 2yts h HIS 27 N -0.82 0.65 0.20 3.45 3.86 -1.15 0.22 115.15 121.56 2yts h HIS 27 Ca -0.13 0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.11 2yts h HIS 27 Cb 1.26 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 29.57 2yts h HIS 27 CO 0.21 0.02 -0.10 1.25 0.86 0.00 0.00 177.93 180.18 2yts h LEU 28 N 0.46 -0.23 -1.09 2.43 5.85 -1.64 -1.58 115.31 119.51 2yts h LEU 28 Ca 0.52 0.01 0.43 0.00 0.84 0.00 0.00 57.88 59.67 2yts h LEU 28 Cb 0.90 0.06 -0.17 0.00 0.37 0.00 0.00 40.66 41.82 2yts h LEU 28 CO -0.47 0.13 0.62 -1.13 -0.34 0.00 0.00 178.44 177.25 2yts h ASN 29 N -0.86 0.30 0.08 1.25 -1.24 -1.24 0.21 115.58 114.09 2yts h ASN 29 Ca -0.03 0.23 -0.00 0.00 0.71 0.00 0.00 56.30 57.21 2yts h ASN 29 Cb 0.21 0.24 0.00 0.00 0.73 0.00 0.00 38.32 39.49 2yts h ASN 29 CO 0.05 -0.38 -0.04 0.03 -1.29 0.00 0.00 177.43 175.80 2yts h ARG 30 N 0.02 -0.10 -0.54 6.67 3.08 -1.03 -3.34 114.38 119.13 2yts h ARG 30 Ca 0.85 0.01 0.11 0.00 0.07 0.00 0.00 59.98 61.01 2yts h ARG 30 Cb 2.35 0.02 -0.11 0.00 0.08 0.00 0.00 29.97 32.31 2yts h ARG 30 CO -0.69 0.42 -0.22 1.25 -1.07 0.00 0.00 179.97 179.66 2yts h HIS 31 N -0.91 -0.54 -1.14 3.04 -0.00 0.35 0.37 115.15 116.31 2yts h HIS 31 Ca -0.01 0.06 0.33 0.00 -0.00 0.00 0.00 60.37 60.75 2yts h HIS 31 Cb 0.57 0.32 -0.05 0.00 -0.00 0.00 0.00 27.41 28.25 2yts h HIS 31 CO 0.13 -0.31 1.10 0.00 -0.00 0.00 0.00 177.93 178.85 2yts h ARG 32 N -0.09 0.00 -0.97 5.26 3.08 -0.98 0.35 114.38 121.03 2yts h ARG 32 Ca 0.25 0.00 0.21 0.00 0.07 0.00 0.00 59.98 60.51 2yts h ARG 32 Cb 0.48 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 30.42 2yts h ARG 32 CO -0.60 0.00 0.56 0.07 -1.07 0.00 0.00 179.97 178.92 2yts h ARG 33 N 0.00 0.62 -1.28 0.04 0.11 -0.39 0.85 114.38 114.33 2yts h ARG 33 Ca 0.54 -0.04 0.39 0.00 0.10 0.00 0.00 59.98 60.98 2yts h ARG 33 Cb 2.73 -0.14 -0.11 0.00 1.11 0.00 0.00 29.97 33.56 2yts h ARG 33 CO -0.01 0.41 0.85 -0.84 0.10 0.00 0.00 179.97 180.48 2yts h ILE 34 N 0.64 0.24 0.00 0.08 3.07 -0.47 -1.85 117.51 119.22 2yts h ILE 34 Ca 0.58 -0.05 -0.00 0.00 1.55 0.00 0.00 64.86 66.94 2yts h ILE 34 Cb 0.99 0.08 -0.00 0.00 -0.27 0.00 0.00 36.82 37.62 2yts h ILE 34 CO -0.43 0.03 -0.18 0.45 -1.05 0.00 0.00 178.15 176.97 2yts h HIS 35 N 0.15 0.00 -3.59 0.16 3.86 -1.03 -3.44 115.15 111.26 2yts h HIS 35 Ca 0.75 0.00 -0.65 0.00 -1.16 0.00 0.00 60.37 59.31 2yts h HIS 35 Cb 2.37 0.00 -0.15 0.00 1.06 0.00 0.00 27.41 30.69 2yts h HIS 35 CO -0.00 0.06 0.14 -0.08 0.86 0.00 0.00 177.93 178.91 2yts s THR 36 N -1.80 4.82 0.00 2.45 -1.32 -0.70 -5.00 115.64 114.09 2yts s THR 36 Ca -0.06 0.16 0.00 0.00 -1.21 0.00 0.00 61.69 60.58 2yts s THR 36 Cb 0.01 -4.21 0.00 0.00 -1.51 0.00 0.00 72.50 66.79 2yts s THR 36 CO 0.10 -0.59 0.00 0.61 -2.21 0.00 0.00 174.62 172.53 2yts n GLY 37 N 5.01 0.93 2.19 6.08 0.00 -1.24 -4.53 105.19 113.63 2yts n GLY 37 Ca -0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 2yts n GLY 37 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2yts n GLU 38 N 0.00 3.47 -2.14 1.61 2.13 -1.26 -5.06 120.64 119.39 2yts n GLU 38 Ca 0.00 -4.24 -0.42 0.00 0.66 0.00 0.00 57.16 53.16 2yts n GLU 38 Cb 0.00 -2.23 -0.03 0.00 0.27 0.00 0.00 31.44 29.45 2yts n GLU 38 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 2yts s LYS 39 N -3.58 4.32 0.00 5.31 2.47 -1.26 -4.89 119.74 122.11 2yts s LYS 39 Ca 0.49 2.12 0.15 0.00 -1.56 0.00 0.00 55.97 57.17 2yts s LYS 39 Cb 0.40 -3.22 0.73 0.00 -1.46 0.00 0.00 37.83 34.29 2yts s LYS 39 CO -0.03 -0.42 1.41 -0.35 0.16 0.00 0.00 175.35 176.12 2yts n PRO 40 N 3.57 0.19 0.00 4.03 -0.04 -1.26 -3.85 135.00 137.64 2yts n PRO 40 Ca 0.10 0.16 0.00 0.00 -0.04 0.00 0.00 63.50 63.72 2yts n PRO 40 Cb 0.42 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.38 2yts n PRO 40 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2yts n SER 41 N -1.31 0.00 0.00 3.54 3.41 -1.26 -5.03 113.62 112.97 2yts n SER 41 Ca 0.07 0.97 0.00 0.00 -0.26 0.00 0.00 58.87 59.65 2yts n SER 41 Cb 0.12 -0.47 0.00 0.00 -0.26 0.00 0.00 64.21 63.60 2yts n SER 41 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yts n GLY 42 N -0.98 2.96 0.00 5.00 0.00 -1.25 -4.81 105.19 106.12 2yts n GLY 42 Ca 0.00 -1.67 0.07 0.00 0.00 0.00 0.00 46.02 44.43 2yts n GLY 42 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2yts n PRO 43 N 0.37 0.33 -1.06 1.61 -0.04 -1.26 -4.84 135.00 130.12 2yts n PRO 43 Ca 0.00 0.08 -0.34 0.00 -0.04 0.00 0.00 63.50 63.21 2yts n PRO 43 Cb 0.00 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 31.86 2yts n PRO 43 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2yts n SER 44 N -1.16 0.30 -4.41 3.54 3.41 -1.26 -4.81 113.62 109.22 2yts n SER 44 Ca 0.09 0.22 -0.44 0.00 -0.26 0.00 0.00 58.87 58.48 2yts n SER 44 Cb 0.09 -0.67 -0.05 0.00 -0.26 0.00 0.00 64.21 63.32 2yts n SER 44 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2yts s SER 45 N 6.07 6.20 0.00 4.04 0.15 -1.26 -5.24 113.70 123.66 2yts s SER 45 Ca 0.97 -1.16 0.00 0.00 0.70 0.00 0.00 55.95 56.46 2yts s SER 45 Cb -0.97 -2.30 0.00 0.00 -1.71 0.00 0.00 66.02 61.04 2yts s SER 45 CO 0.39 -1.03 0.00 0.61 1.20 0.00 0.00 173.24 174.41