#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 5.23 0.00 1.61 1.04 -1.26 -5.14 113.70 115.19 2yts s SER 2 Ca 0.00 -0.74 -0.28 0.00 0.48 0.00 0.00 55.95 55.41 2yts s SER 2 Cb 0.00 -0.04 0.10 0.00 0.10 0.00 0.00 66.02 66.18 2yts s SER 2 CO 0.00 -1.11 0.84 -0.55 0.98 0.00 0.00 173.24 173.41 2yts s SER 3 N -4.51 -0.41 0.37 7.02 0.15 -1.26 -5.19 113.70 109.87 2yts s SER 3 Ca 0.57 0.08 0.01 0.00 0.70 0.00 0.00 55.95 57.31 2yts s SER 3 Cb -0.07 0.42 0.01 0.00 -1.71 0.00 0.00 66.02 64.67 2yts s SER 3 CO 0.35 -0.65 0.11 0.61 1.20 0.00 0.00 173.24 174.87 2yts n GLY 4 N -0.11 3.40 3.10 9.45 0.00 -1.26 -5.16 105.19 114.62 2yts n GLY 4 Ca -0.11 -2.30 -0.08 0.00 0.00 0.00 0.00 46.02 43.53 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 -3.11 0.34 0.02 1.61 1.04 -1.26 -5.17 113.70 107.16 2yts s SER 5 Ca 0.08 -0.80 -0.15 0.00 0.48 0.00 0.00 55.95 55.56 2yts s SER 5 Cb -0.01 0.22 0.02 0.00 0.10 0.00 0.00 66.02 66.36 2yts s SER 5 CO 0.05 -0.57 0.32 -0.44 0.98 0.00 0.00 173.24 173.58 2yts s SER 6 N -2.61 -0.17 0.00 7.02 0.01 -1.26 -5.13 113.70 111.56 2yts s SER 6 Ca 0.02 -0.04 0.00 0.00 1.31 0.00 0.00 55.95 57.24 2yts s SER 6 Cb 0.04 0.34 0.00 0.00 0.21 0.00 0.00 66.02 66.61 2yts s SER 6 CO -0.08 -0.54 0.00 0.61 0.41 0.00 0.00 173.24 173.63 2yts n GLY 7 N 0.89 3.16 3.54 3.44 0.00 -1.26 -5.11 105.19 109.86 2yts n GLY 7 Ca -0.20 -0.97 -0.32 0.00 0.00 0.00 0.00 46.02 44.53 2yts n GLY 7 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2yts n THR 8 N 0.00 0.28 -0.45 2.61 5.66 -1.26 -4.78 114.28 116.35 2yts n THR 8 Ca 0.00 -0.13 0.00 0.00 -3.05 0.00 0.00 64.05 60.87 2yts n THR 8 Cb 0.00 -0.83 0.00 0.00 -1.55 0.00 0.00 70.33 67.95 2yts n THR 8 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2yts n GLY 9 N 0.94 -3.65 3.91 1.09 0.00 -1.26 -5.01 105.19 101.21 2yts n GLY 9 Ca 0.10 -0.90 -0.32 0.00 0.00 0.00 0.00 46.02 44.90 2yts n GLY 9 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2yts s GLU 10 N -4.09 3.50 -0.02 1.61 -1.05 -1.26 -5.11 118.70 112.28 2yts s GLU 10 Ca 0.00 -0.29 0.04 0.00 -0.15 0.00 0.00 54.97 54.57 2yts s GLU 10 Cb 0.00 -3.01 -0.01 0.00 -0.44 0.00 0.00 34.13 30.68 2yts s GLU 10 CO 0.00 0.59 -0.14 0.15 0.95 0.00 0.00 175.26 176.81 2yts s LYS 11 N -2.36 1.31 0.07 -4.83 -0.14 -1.26 -5.05 119.74 107.48 2yts s LYS 11 Ca 0.34 -0.51 -0.17 0.00 -1.36 0.00 0.00 55.97 54.27 2yts s LYS 11 Cb -0.13 -1.22 -0.11 0.00 -1.68 0.00 0.00 37.83 34.69 2yts s LYS 11 CO 0.24 0.26 1.39 -1.00 -0.76 0.00 0.00 175.35 175.48 2yts h PRO 12 N 6.02 0.53 -5.80 -1.68 0.13 -1.96 -3.43 132.00 125.82 2yts h PRO 12 Ca -0.34 -0.28 -0.58 0.00 -0.87 0.00 0.00 66.00 63.93 2yts h PRO 12 Cb 1.16 0.01 -0.08 0.00 0.13 0.00 0.00 31.00 32.23 2yts h PRO 12 CO 0.48 0.86 0.06 0.71 -0.23 0.00 0.00 178.00 179.89 2yts s TYR 13 N -4.34 3.47 -0.22 1.56 2.02 -1.25 -5.04 117.35 113.55 2yts s TYR 13 Ca -0.13 1.03 -0.03 0.00 -0.37 0.00 0.00 57.07 57.57 2yts s TYR 13 Cb 0.07 -2.75 0.11 0.00 -0.40 0.00 0.00 41.96 38.99 2yts s TYR 13 CO 0.79 -0.01 0.28 0.42 -1.57 0.00 0.00 175.55 175.46 2yts s ILE 14 N 1.27 -0.43 0.86 2.71 1.01 -1.26 -1.63 121.20 123.73 2yts s ILE 14 Ca 0.31 -0.13 -0.16 0.00 0.00 0.00 0.00 60.65 60.67 2yts s ILE 14 Cb -0.16 -0.75 -0.09 0.00 0.01 0.00 0.00 42.46 41.46 2yts s ILE 14 CO 0.13 -0.20 -0.23 0.00 0.00 0.00 0.00 174.94 174.64 2yts n ASN 16 N 1.75 3.27 -0.11 0.00 5.15 -1.26 -3.49 115.26 120.56 2yts n ASN 16 Ca 0.03 0.00 -0.11 0.00 -0.60 0.00 0.00 54.58 53.90 2yts n ASN 16 Cb 0.53 1.12 -0.03 0.00 -0.53 0.00 0.00 39.78 40.87 2yts n ASN 16 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 2yts h GLU 17 N 0.00 0.62 0.00 1.20 5.08 -1.98 -3.40 114.58 116.10 2yts h GLU 17 Ca -0.06 -0.23 -0.05 0.00 -1.00 0.00 0.00 59.36 58.02 2yts h GLU 17 Cb 0.72 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 2yts h GLU 17 CO 0.00 0.78 -1.18 0.00 -1.00 0.00 0.00 179.01 177.62 2yts n GLY 19 N 3.06 1.93 3.80 0.00 0.00 -1.23 -5.07 105.19 107.68 2yts n GLY 19 Ca -0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 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 4.35 0.17 1.61 2.47 -1.26 -4.72 119.74 122.29 2yts s LYS 20 Ca 0.00 1.25 0.06 0.00 -1.56 0.00 0.00 55.97 55.72 2yts s LYS 20 Cb 0.00 -2.46 -0.04 0.00 -1.46 0.00 0.00 37.83 33.87 2yts s LYS 20 CO 0.00 0.07 0.06 -1.54 0.16 0.00 0.00 175.35 174.11 2yts s SER 21 N -1.89 5.12 0.23 1.43 1.04 -1.26 0.79 113.70 119.16 2yts s SER 21 Ca 0.57 -0.28 -0.14 0.00 0.48 0.00 0.00 55.95 56.58 2yts s SER 21 Cb -0.14 -1.21 0.00 0.00 0.10 0.00 0.00 66.02 64.77 2yts s SER 21 CO 0.19 0.08 0.49 -0.36 0.98 0.00 0.00 173.24 174.62 2yts s PHE 22 N -1.76 0.20 -0.05 5.02 0.08 -0.65 -4.97 117.98 115.86 2yts s PHE 22 Ca 0.29 -0.57 0.06 0.00 0.12 0.00 0.00 56.93 56.83 2yts s PHE 22 Cb -0.10 0.26 -0.09 0.00 -0.57 0.00 0.00 43.02 42.52 2yts s PHE 22 CO 0.21 -0.97 0.06 0.44 -0.10 0.00 0.00 175.22 174.86 2yts n ILE 23 N -0.36 0.30 -3.77 0.64 -0.00 -1.26 -3.85 119.36 111.06 2yts n ILE 23 Ca -0.04 -0.24 -0.31 0.00 -0.00 0.00 0.00 62.75 62.16 2yts n ILE 23 Cb 0.62 -0.45 -0.04 0.00 -0.00 0.00 0.00 39.64 39.76 2yts n ILE 23 CO 0.00 0.00 0.00 -1.10 -0.00 0.00 0.00 176.55 175.45 2yts s GLN 24 N -2.26 3.54 0.22 6.28 -0.21 -1.26 -4.95 119.66 121.01 2yts s GLN 24 Ca -0.03 -0.25 0.00 0.00 0.02 0.00 0.00 55.36 55.10 2yts s GLN 24 Cb 0.03 -2.92 0.20 0.00 1.00 0.00 0.00 33.01 31.32 2yts s GLN 24 CO 0.27 0.52 1.55 0.87 -2.12 0.00 0.00 175.29 176.38 2yts h LYS 25 N 2.84 0.42 -0.04 2.91 6.56 -2.01 -3.19 116.57 124.06 2yts h LYS 25 Ca -0.46 -0.26 -0.24 0.00 -1.06 0.00 0.00 60.65 58.63 2yts h LYS 25 Cb 1.17 0.03 0.02 0.00 -0.57 0.00 0.00 32.23 32.87 2yts h LYS 25 CO 0.73 0.85 -0.93 0.66 -2.06 0.00 0.00 179.45 178.71 2yts h SER 26 N 0.32 0.88 -0.78 0.86 4.64 -1.98 -2.60 113.55 114.89 2yts h SER 26 Ca 0.01 -0.71 0.16 0.00 -0.47 0.00 0.00 61.79 60.78 2yts h SER 26 Cb 1.05 -0.27 -0.11 0.00 -0.31 0.00 0.00 62.40 62.77 2yts h SER 26 CO 0.09 1.47 0.27 0.45 -0.87 0.00 0.00 176.83 178.25 2yts h HIS 27 N 0.37 0.45 0.15 4.77 3.86 -1.97 0.16 115.15 122.95 2yts h HIS 27 Ca -0.11 0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.14 2yts h HIS 27 Cb 1.59 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 29.98 2yts h HIS 27 CO 0.10 -0.01 -0.07 1.25 0.86 0.00 0.00 177.93 180.06 2yts h LEU 28 N 0.37 -0.17 -1.28 2.43 5.85 -1.60 -0.06 115.31 120.85 2yts h LEU 28 Ca 0.45 0.01 0.44 0.00 0.84 0.00 0.00 57.88 59.61 2yts h LEU 28 Cb 0.75 0.04 -0.15 0.00 0.37 0.00 0.00 40.66 41.67 2yts h LEU 28 CO -0.47 0.10 0.77 -1.13 -0.34 0.00 0.00 178.44 177.38 2yts h ASN 29 N -0.65 0.26 0.07 1.25 -0.73 -1.33 0.36 115.58 114.80 2yts h ASN 29 Ca -0.02 0.18 -0.10 0.00 1.87 0.00 0.00 56.30 58.23 2yts h ASN 29 Cb 0.15 0.17 0.01 0.00 0.27 0.00 0.00 38.32 38.92 2yts h ASN 29 CO 0.03 -0.27 -0.45 -0.09 -0.37 0.00 0.00 177.43 176.29 2yts h ARG 30 N 0.05 0.14 -0.67 6.67 2.43 -0.76 -3.35 114.38 118.89 2yts h ARG 30 Ca 0.84 -0.24 0.14 0.00 -0.81 0.00 0.00 59.98 59.92 2yts h ARG 30 Cb 2.53 0.09 -0.12 0.00 -0.42 0.00 0.00 29.97 32.05 2yts h ARG 30 CO -0.53 1.11 -0.03 1.25 -1.51 0.00 0.00 179.97 180.26 2yts h HIS 31 N -0.70 -0.11 -0.73 2.20 2.76 0.16 0.41 115.15 119.15 2yts h HIS 31 Ca -0.08 0.05 0.21 0.00 -2.20 0.00 0.00 60.37 58.35 2yts h HIS 31 Cb 1.32 0.15 -0.03 0.00 1.55 0.00 0.00 27.41 30.40 2yts h HIS 31 CO 0.23 -0.22 0.96 0.00 -1.30 0.00 0.00 177.93 177.61 2yts h ARG 32 N 0.09 0.00 -0.99 5.26 3.08 -1.27 0.33 114.38 120.88 2yts h ARG 32 Ca 0.35 0.00 0.19 0.00 0.07 0.00 0.00 59.98 60.59 2yts h ARG 32 Cb 0.59 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 30.54 2yts h ARG 32 CO -0.61 0.00 0.61 0.07 -1.07 0.00 0.00 179.97 178.98 2yts h ARG 33 N 0.00 0.69 0.00 0.04 0.11 -0.35 0.28 114.38 115.14 2yts h ARG 33 Ca 0.35 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 60.39 2yts h ARG 33 Cb 2.26 -0.16 0.00 0.00 1.11 0.00 0.00 29.97 33.19 2yts h ARG 33 CO -0.00 0.46 0.42 -0.84 0.10 0.00 0.00 179.97 180.11 2yts h ILE 34 N 0.71 0.00 -1.67 0.08 3.07 -0.52 -1.06 117.51 118.12 2yts h ILE 34 Ca 0.55 0.00 -0.70 0.00 1.55 0.00 0.00 64.86 66.27 2yts h ILE 34 Cb 0.93 0.56 -0.25 0.00 -0.27 0.00 0.00 36.82 37.79 2yts h ILE 34 CO -0.33 0.00 0.91 1.41 -1.05 0.00 0.00 178.15 179.09 2yts n HIS 35 N -2.80 2.73 -3.70 0.16 8.25 0.97 -4.86 115.22 115.97 2yts n HIS 35 Ca -0.02 -2.33 -0.27 0.00 -0.26 0.00 0.00 57.72 54.84 2yts n HIS 35 Cb 0.46 -1.25 -0.17 0.00 1.12 0.00 0.00 29.99 30.15 2yts n HIS 35 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2yts s THR 36 N -4.47 0.33 0.00 1.59 -4.23 -0.40 -5.07 115.64 103.38 2yts s THR 36 Ca 0.54 -0.39 0.00 0.00 -1.18 0.00 0.00 61.69 60.67 2yts s THR 36 Cb 0.43 -0.85 0.00 0.00 1.34 0.00 0.00 72.50 73.42 2yts s THR 36 CO -0.32 -0.19 0.00 0.61 -0.54 0.00 0.00 174.62 174.18 2yts n GLY 37 N 5.13 -0.51 3.61 3.99 0.00 -1.26 -5.12 105.19 111.02 2yts n GLY 37 Ca -0.08 -0.31 -0.43 0.00 0.00 0.00 0.00 46.02 45.20 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 1.44 -3.64 1.61 0.00 -1.26 -4.99 120.64 113.79 2yts n GLU 38 Ca 0.00 0.51 -0.06 0.00 0.00 0.00 0.00 57.16 57.61 2yts n GLU 38 Cb 0.00 -1.97 -0.07 0.00 0.00 0.00 0.00 31.44 29.40 2yts n GLU 38 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.13 177.34 2yts s LYS 39 N -1.77 0.29 0.42 3.44 2.20 -1.26 -5.02 119.74 118.04 2yts s LYS 39 Ca 0.60 0.35 0.29 0.00 -0.36 0.00 0.00 55.97 56.85 2yts s LYS 39 Cb -0.62 0.14 1.22 0.00 -1.51 0.00 0.00 37.83 37.06 2yts s LYS 39 CO 0.59 -0.04 1.87 -1.00 -0.36 0.00 0.00 175.35 176.41 2yts h PRO 40 N 3.74 0.00 -6.21 4.03 0.13 -2.08 -3.43 132.00 128.18 2yts h PRO 40 Ca -0.28 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.28 2yts h PRO 40 Cb 1.19 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.27 2yts h PRO 40 CO 0.14 0.00 -0.09 0.45 -0.23 0.00 0.00 178.00 178.27 2yts s SER 41 N -5.01 6.93 0.22 1.44 0.15 -1.26 -5.09 113.70 111.08 2yts s SER 41 Ca 0.02 1.13 0.01 0.00 0.70 0.00 0.00 55.95 57.81 2yts s SER 41 Cb 0.09 -2.31 0.01 0.00 -1.71 0.00 0.00 66.02 62.10 2yts s SER 41 CO 0.47 0.23 0.05 0.61 1.20 0.00 0.00 173.24 175.80 2yts n GLY 42 N 1.43 3.65 3.74 9.45 0.00 -1.26 -5.11 105.19 117.09 2yts n GLY 42 Ca -0.09 -2.26 -0.41 0.00 0.00 0.00 0.00 46.02 43.25 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 -2.84 4.41 0.11 1.61 0.04 -1.26 -5.04 135.00 132.03 2yts s PRO 43 Ca 0.04 2.05 -0.02 0.00 0.04 0.00 0.00 61.00 63.10 2yts s PRO 43 Cb -0.00 -3.18 -0.03 0.00 0.04 0.00 0.00 34.50 31.32 2yts s PRO 43 CO 0.02 -0.21 0.07 -1.12 0.04 0.00 0.00 177.00 175.80 2yts s SER 44 N 0.16 0.32 0.25 6.66 0.01 -1.26 -5.17 113.70 114.67 2yts s SER 44 Ca 0.55 -1.08 0.10 0.00 1.31 0.00 0.00 55.95 56.83 2yts s SER 44 Cb -0.36 0.29 -0.05 0.00 0.21 0.00 0.00 66.02 66.11 2yts s SER 44 CO 0.40 -0.71 -0.11 -0.44 0.41 0.00 0.00 173.24 172.79 2yts s SER 45 N -2.99 4.06 0.00 2.44 0.01 -1.26 -5.35 113.70 110.61 2yts s SER 45 Ca 0.17 -0.79 0.00 0.00 1.31 0.00 0.00 55.95 56.64 2yts s SER 45 Cb 0.07 -0.58 0.00 0.00 0.21 0.00 0.00 66.02 65.72 2yts s SER 45 CO -0.02 0.04 0.06 0.61 0.41 0.00 0.00 173.24 174.33