#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2emy s SER 2 N 0.00 -0.01 -0.19 1.61 1.04 -1.26 -5.17 113.70 109.71 2emy s SER 2 Ca 0.00 -0.41 -0.29 0.00 0.48 0.00 0.00 55.95 55.73 2emy s SER 2 Cb 0.00 0.35 0.12 0.00 0.10 0.00 0.00 66.02 66.59 2emy s SER 2 CO 0.00 -0.67 1.00 -0.55 0.98 0.00 0.00 173.24 174.00 2emy s SER 3 N -2.44 -0.40 0.00 7.02 0.15 -1.26 -5.13 113.70 111.65 2emy s SER 3 Ca -0.01 0.54 0.00 0.00 0.70 0.00 0.00 55.95 57.19 2emy s SER 3 Cb 0.01 0.47 0.00 0.00 -1.71 0.00 0.00 66.02 64.80 2emy s SER 3 CO -0.07 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 174.69 2emy n GLY 4 N 1.17 0.49 2.83 9.45 0.00 -1.26 -5.00 105.19 112.87 2emy n GLY 4 Ca -0.11 -1.35 -0.15 0.00 0.00 0.00 0.00 46.02 44.41 2emy n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2emy n SER 5 N 0.00 -4.02 -3.60 1.61 7.64 -1.26 -5.02 113.62 108.97 2emy n SER 5 Ca 0.00 -0.38 -0.10 0.00 1.01 0.00 0.00 58.87 59.40 2emy n SER 5 Cb 0.00 -3.59 -0.06 0.00 -1.01 0.00 0.00 64.21 59.55 2emy n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2emy s SER 6 N -3.45 -0.41 0.00 6.43 1.04 -1.26 -5.18 113.70 110.88 2emy s SER 6 Ca 0.27 0.61 0.00 0.00 0.48 0.00 0.00 55.95 57.31 2emy s SER 6 Cb -0.12 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.56 2emy s SER 6 CO 0.49 -0.26 0.00 0.61 0.98 0.00 0.00 173.24 175.06 2emy n GLY 7 N 1.40 -1.00 3.15 7.32 0.00 -1.26 -5.11 105.19 109.70 2emy n GLY 7 Ca -0.11 -1.05 -0.34 0.00 0.00 0.00 0.00 46.02 44.52 2emy n GLY 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2emy s THR 8 N -3.00 2.62 -0.06 2.61 -4.23 -1.26 -5.10 115.64 107.22 2emy s THR 8 Ca 0.00 -1.21 0.02 0.00 -1.18 0.00 0.00 61.69 59.32 2emy s THR 8 Cb 0.00 -2.38 0.01 0.00 1.34 0.00 0.00 72.50 71.48 2emy s THR 8 CO 0.00 0.14 -0.12 -0.83 -0.54 0.00 0.00 174.62 173.28 2emy s GLY 9 N 1.26 0.77 -0.73 3.99 0.00 -1.26 -5.03 107.32 106.32 2emy s GLY 9 Ca -0.02 -0.39 -0.07 0.00 0.00 0.00 0.00 44.72 44.24 2emy s GLY 9 CO -0.05 0.16 2.93 -2.21 0.00 0.00 0.00 173.10 173.92 2emy n GLU 10 N 3.85 2.48 -3.65 2.90 4.07 -1.26 -4.69 120.64 124.34 2emy n GLU 10 Ca -0.23 -1.43 -0.29 0.00 -0.06 0.00 0.00 57.16 55.14 2emy n GLU 10 Cb 0.52 -2.32 -0.14 0.00 -0.06 0.00 0.00 31.44 29.43 2emy n GLU 10 CO 0.00 0.00 0.00 -0.80 -0.06 0.00 0.00 177.13 176.27 2emy s ASN 11 N 2.37 3.72 0.00 4.31 0.01 -1.26 -4.75 114.94 119.33 2emy s ASN 11 Ca 0.59 -1.80 0.15 0.00 -0.71 0.00 0.00 52.86 51.09 2emy s ASN 11 Cb 0.21 -0.71 0.78 0.00 0.41 0.00 0.00 41.25 41.94 2emy s ASN 11 CO -0.03 -0.38 1.39 -0.81 -1.51 0.00 0.00 177.10 175.76 2emy n PRO 12 N 4.61 0.27 -3.98 -0.60 -0.04 -1.25 -4.37 135.00 129.65 2emy n PRO 12 Ca 0.01 0.11 -0.31 0.00 -0.04 0.00 0.00 63.50 63.27 2emy n PRO 12 Cb 0.40 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.21 2emy n PRO 12 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2emy s TYR 13 N -2.43 3.27 0.05 0.54 2.02 -1.19 -5.04 117.35 114.57 2emy s TYR 13 Ca 0.16 -2.59 0.08 0.00 -0.37 0.00 0.00 57.07 54.35 2emy s TYR 13 Cb 0.10 -2.45 -0.03 0.00 -0.40 0.00 0.00 41.96 39.18 2emy s TYR 13 CO 0.21 -0.91 -0.19 -1.21 -1.57 0.00 0.00 175.55 171.88 2emy s GLU 14 N 1.08 2.00 -0.08 -0.62 2.02 -1.26 0.62 118.70 122.46 2emy s GLU 14 Ca 0.05 -1.02 -0.30 0.00 0.02 0.00 0.00 54.97 53.72 2emy s GLU 14 Cb -0.19 -2.15 -0.03 0.00 0.10 0.00 0.00 34.13 31.86 2emy s GLU 14 CO -0.09 0.53 1.17 0.00 0.02 0.00 0.00 175.26 176.89 2emy n HIS 16 N 5.32 0.57 0.02 0.00 1.44 -1.26 -2.33 115.22 118.99 2emy n HIS 16 Ca 0.11 -0.46 0.00 0.00 -2.01 0.00 0.00 57.72 55.35 2emy n HIS 16 Cb 0.46 -0.29 0.00 0.00 0.12 0.00 0.00 29.99 30.28 2emy n HIS 16 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 2emy n GLU 17 N 0.14 0.00 -0.10 -1.40 1.02 -1.26 -4.93 120.64 114.10 2emy n GLU 17 Ca 0.10 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 57.07 2emy n GLU 17 Cb 0.61 -0.50 -0.08 0.00 -0.02 0.00 0.00 31.44 31.44 2emy n GLU 17 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2emy n GLY 19 N 2.21 1.83 3.84 0.00 0.00 -0.98 -5.06 105.19 107.03 2emy n GLY 19 Ca -0.37 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.36 2emy n GLY 19 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2emy s LYS 20 N 0.00 0.98 0.01 1.61 2.20 -1.26 -4.74 119.74 118.55 2emy s LYS 20 Ca 0.00 0.00 0.00 0.00 -0.36 0.00 0.00 55.97 55.62 2emy s LYS 20 Cb 0.00 -1.85 -0.01 0.00 -1.51 0.00 0.00 37.83 34.46 2emy s LYS 20 CO 0.00 -2.25 -0.02 0.00 -0.36 0.00 0.00 175.35 172.71 2emy s ALA 21 N -3.51 0.12 0.04 3.13 0.00 -1.26 -0.87 121.76 119.41 2emy s ALA 21 Ca 0.67 -0.42 -0.01 0.00 0.00 0.00 0.00 51.96 52.20 2emy s ALA 21 Cb -0.10 0.09 -0.03 0.00 0.00 0.00 0.00 23.12 23.09 2emy s ALA 21 CO 0.52 -0.10 -0.01 -0.06 0.00 0.00 0.00 175.76 176.11 2emy s PHE 22 N -1.00 0.37 -0.03 0.00 0.40 0.20 -4.97 117.98 112.95 2emy s PHE 22 Ca -0.11 -0.78 -0.25 0.00 -0.60 0.00 0.00 56.93 55.20 2emy s PHE 22 Cb -0.07 -0.27 -0.19 0.00 0.51 0.00 0.00 43.02 43.00 2emy s PHE 22 CO -0.01 -0.30 1.12 0.77 0.70 0.00 0.00 175.22 177.50 2emy h SER 23 N 3.81 -0.10 -1.60 1.36 0.02 -1.85 -3.15 113.55 112.03 2emy h SER 23 Ca -0.33 -0.43 -0.47 0.00 -0.84 0.00 0.00 61.79 59.71 2emy h SER 23 Cb 1.17 0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.72 2emy h SER 23 CO 0.54 0.41 -0.37 -0.13 -1.14 0.00 0.00 176.83 176.15 2emy s ARG 24 N -3.96 2.69 0.02 3.45 0.52 -1.26 -4.57 118.95 115.84 2emy s ARG 24 Ca -0.15 -1.37 -0.25 0.00 -0.52 0.00 0.00 55.73 53.44 2emy s ARG 24 Cb 0.01 -2.52 -0.18 0.00 0.52 0.00 0.00 34.95 32.79 2emy s ARG 24 CO 0.60 -0.12 1.42 -0.22 0.02 0.00 0.00 175.30 177.00 2emy h LYS 25 N 0.99 -0.12 -0.97 3.54 1.63 -1.96 -3.06 116.57 116.62 2emy h LYS 25 Ca -0.42 0.01 0.11 0.00 -0.85 0.00 0.00 60.65 59.49 2emy h LYS 25 Cb 1.27 0.03 -0.08 0.00 -0.60 0.00 0.00 32.23 32.85 2emy h LYS 25 CO 0.55 0.17 0.62 0.10 -3.45 0.00 0.00 179.45 177.44 2emy h TYR 26 N -0.41 1.09 -0.42 1.91 -0.00 -1.99 0.70 116.97 117.85 2emy h TYR 26 Ca -0.01 0.03 0.12 0.00 -0.00 0.00 0.00 58.73 58.87 2emy h TYR 26 Cb 0.35 -0.35 -0.02 0.00 -0.00 0.00 0.00 36.73 36.71 2emy h TYR 26 CO 0.02 0.47 0.39 1.96 -0.00 0.00 0.00 178.16 181.00 2emy h GLN 27 N 0.98 0.00 0.09 0.10 4.20 -1.94 -1.21 115.11 117.33 2emy h GLN 27 Ca 0.47 0.00 -0.28 0.00 0.06 0.00 0.00 58.65 58.90 2emy h GLN 27 Cb 0.44 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 2emy h GLN 27 CO -0.23 0.00 -1.48 1.25 -0.67 0.00 0.00 178.83 177.70 2emy h LEU 28 N 0.00 0.29 -0.44 1.46 5.85 -0.90 -3.35 115.31 118.21 2emy h LEU 28 Ca 0.20 -0.80 0.08 0.00 0.84 0.00 0.00 57.88 58.21 2emy h LEU 28 Cb 0.98 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.85 2emy h LEU 28 CO -0.00 1.63 0.03 0.40 -0.34 0.00 0.00 178.44 180.16 2emy h ILE 29 N -0.40 0.69 -0.66 4.05 5.03 -0.66 0.49 117.51 126.05 2emy h ILE 29 Ca -0.34 -0.05 0.17 0.00 -0.12 0.00 0.00 64.86 64.52 2emy h ILE 29 Cb 1.70 0.54 -0.03 0.00 -3.03 0.00 0.00 36.82 35.99 2emy h ILE 29 CO -0.00 0.03 0.46 -1.28 -0.68 0.00 0.00 178.15 176.67 2emy h SER 30 N 0.14 0.11 -0.00 1.72 0.87 -1.44 -1.56 113.55 113.41 2emy h SER 30 Ca 0.22 0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.74 2emy h SER 30 Cb 0.31 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 2emy h SER 30 CO -0.34 0.06 -0.19 -0.74 -0.53 0.00 0.00 176.83 175.09 2emy h HIS 31 N 0.12 0.19 -0.69 2.24 -0.00 -1.08 -3.21 115.15 112.71 2emy h HIS 31 Ca 0.32 -0.10 0.20 0.00 -0.00 0.00 0.00 60.37 60.78 2emy h HIS 31 Cb 1.08 -0.02 -0.03 0.00 -0.00 0.00 0.00 27.41 28.44 2emy h HIS 31 CO -0.00 0.90 0.64 1.96 -0.00 0.00 0.00 177.93 181.44 2emy h GLN 32 N -0.58 0.00 -0.85 5.26 4.20 -0.25 0.16 115.11 123.04 2emy h GLN 32 Ca -0.02 0.00 0.16 0.00 0.06 0.00 0.00 58.65 58.85 2emy h GLN 32 Cb 0.96 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.67 2emy h GLN 32 CO 0.04 0.00 0.56 0.00 -0.67 0.00 0.00 178.83 178.75 2emy h ARG 33 N 0.00 0.53 -0.33 1.46 2.47 -1.48 0.11 114.38 117.14 2emy h ARG 33 Ca 0.33 -0.03 -0.05 0.00 -1.26 0.00 0.00 59.98 58.97 2emy h ARG 33 Cb 1.61 -0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 29.80 2emy h ARG 33 CO -0.00 0.35 -0.00 1.79 0.56 0.00 0.00 179.97 182.67 2emy h THR 34 N 0.55 1.19 -0.04 2.04 1.35 -0.88 -2.74 112.91 114.39 2emy h THR 34 Ca 0.43 -0.77 -0.23 0.00 -0.55 0.00 0.00 66.41 65.29 2emy h THR 34 Cb 0.86 0.95 0.01 0.00 -1.73 0.00 0.00 68.15 68.24 2emy h THR 34 CO -0.18 0.26 -0.92 0.45 -0.25 0.00 0.00 175.52 174.88 2emy h HIS 35 N 0.49 0.83 -2.56 4.73 3.86 -0.94 -3.44 115.15 118.12 2emy h HIS 35 Ca 0.11 -0.43 -0.53 0.00 -1.16 0.00 0.00 60.37 58.36 2emy h HIS 35 Cb 0.32 -0.10 0.04 0.00 1.06 0.00 0.00 27.41 28.73 2emy h HIS 35 CO 0.01 1.25 1.09 0.00 0.86 0.00 0.00 177.93 181.14 2emy s ALA 36 N -3.41 3.77 0.00 2.45 0.00 -0.68 -4.81 121.76 119.08 2emy s ALA 36 Ca -0.08 1.43 0.00 0.00 0.00 0.00 0.00 51.96 53.31 2emy s ALA 36 Cb 0.08 -3.75 0.00 0.00 0.00 0.00 0.00 23.12 19.45 2emy s ALA 36 CO 0.89 -1.18 0.00 0.41 0.00 0.00 0.00 175.76 175.87 2emy n GLY 37 N 4.18 -0.30 3.58 0.00 0.00 -1.26 -4.96 105.19 106.42 2emy n GLY 37 Ca 0.17 -1.13 -0.39 0.00 0.00 0.00 0.00 46.02 44.68 2emy n GLY 37 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2emy s GLU 38 N -2.00 3.54 -0.01 1.61 2.02 -1.26 -4.89 118.70 117.72 2emy s GLU 38 Ca 0.00 -1.68 -0.10 0.00 0.02 0.00 0.00 54.97 53.22 2emy s GLU 38 Cb 0.00 -5.44 0.01 0.00 0.10 0.00 0.00 34.13 28.80 2emy s GLU 38 CO 0.00 -2.72 0.19 0.15 0.02 0.00 0.00 175.26 172.90 2emy s LYS 39 N 4.93 0.53 -1.05 1.61 1.02 -1.26 -5.08 119.74 120.44 2emy s LYS 39 Ca 0.57 -0.31 -0.24 0.00 0.02 0.00 0.00 55.97 56.02 2emy s LYS 39 Cb 0.02 0.23 -0.07 0.00 -0.52 0.00 0.00 37.83 37.49 2emy s LYS 39 CO 0.08 -0.13 1.94 -1.25 -0.92 0.00 0.00 175.35 175.06 2emy s PRO 40 N -1.31 2.52 0.51 -1.68 0.04 -1.26 -4.91 135.00 128.91 2emy s PRO 40 Ca -0.14 -0.74 0.03 0.00 0.04 0.00 0.00 61.00 60.19 2emy s PRO 40 Cb -0.07 -5.16 -0.00 0.00 0.04 0.00 0.00 34.50 29.31 2emy s PRO 40 CO 0.02 -3.69 0.13 -1.12 0.04 0.00 0.00 177.00 172.38 2emy s SER 41 N 7.24 4.28 0.25 6.66 0.01 -1.26 -5.17 113.70 125.71 2emy s SER 41 Ca 0.69 -1.49 0.05 0.00 1.31 0.00 0.00 55.95 56.51 2emy s SER 41 Cb -0.04 0.38 -0.02 0.00 0.21 0.00 0.00 66.02 66.56 2emy s SER 41 CO 0.06 -0.88 0.17 0.61 0.41 0.00 0.00 173.24 173.61 2emy n GLY 42 N -1.39 3.33 3.72 3.44 0.00 -1.26 -5.13 105.19 107.90 2emy n GLY 42 Ca -0.13 -1.90 -0.42 0.00 0.00 0.00 0.00 46.02 43.58 2emy n GLY 42 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2emy s PRO 43 N -3.00 4.35 -0.22 1.61 0.04 -1.26 -4.96 135.00 131.56 2emy s PRO 43 Ca 0.24 2.04 -0.29 0.00 0.04 0.00 0.00 61.00 63.02 2emy s PRO 43 Cb 0.01 -3.24 -0.02 0.00 0.04 0.00 0.00 34.50 31.29 2emy s PRO 43 CO 0.17 -0.36 1.44 0.45 0.04 0.00 0.00 177.00 178.73 2emy s SER 44 N 0.87 6.62 -0.38 6.66 0.15 -1.26 -4.98 113.70 121.38 2emy s SER 44 Ca 0.62 1.56 -0.07 0.00 0.70 0.00 0.00 55.95 58.75 2emy s SER 44 Cb -0.36 -2.54 0.06 0.00 -1.71 0.00 0.00 66.02 61.48 2emy s SER 44 CO 0.32 -1.06 0.18 -0.55 1.20 0.00 0.00 173.24 173.33 2emy s SER 45 N 3.19 5.46 0.00 5.45 0.15 -1.26 -5.33 113.70 121.35 2emy s SER 45 Ca 0.63 -1.37 0.15 0.00 0.70 0.00 0.00 55.95 56.07 2emy s SER 45 Cb -0.22 -1.92 0.92 0.00 -1.71 0.00 0.00 66.02 63.09 2emy s SER 45 CO 0.24 -0.44 1.34 0.61 1.20 0.00 0.00 173.24 176.19