#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2emg s SER 2 N 0.00 -0.52 0.04 1.61 1.04 -1.26 -5.16 113.70 109.45 2emg s SER 2 Ca 0.00 0.95 0.04 0.00 0.48 0.00 0.00 55.95 57.41 2emg s SER 2 Cb 0.00 0.87 -0.02 0.00 0.10 0.00 0.00 66.02 66.97 2emg s SER 2 CO 0.00 -0.20 -0.11 -0.94 0.98 0.00 0.00 173.24 172.97 2emg s SER 3 N 1.54 1.24 0.00 7.02 1.04 -1.26 -5.14 113.70 118.14 2emg s SER 3 Ca -0.09 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 55.85 2emg s SER 3 Cb -0.09 -0.03 0.00 0.00 0.10 0.00 0.00 66.02 66.00 2emg s SER 3 CO -0.13 -0.08 0.00 0.61 0.98 0.00 0.00 173.24 174.62 2emg n GLY 4 N 1.69 5.67 2.83 7.32 0.00 -1.26 -5.15 105.19 116.30 2emg n GLY 4 Ca -0.20 -0.93 -0.28 0.00 0.00 0.00 0.00 46.02 44.61 2emg n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2emg s SER 5 N 1.00 3.03 -0.12 1.61 0.01 -1.26 -4.99 113.70 112.99 2emg s SER 5 Ca 0.00 -0.81 -0.05 0.00 1.31 0.00 0.00 55.95 56.39 2emg s SER 5 Cb 0.00 -0.83 -0.05 0.00 0.21 0.00 0.00 66.02 65.35 2emg s SER 5 CO 0.00 -0.24 -0.15 -1.20 0.41 0.00 0.00 173.24 172.06 2emg n SER 6 N 4.91 1.11 -0.57 2.44 7.64 -1.26 -5.06 113.62 122.83 2emg n SER 6 Ca -0.10 0.12 0.00 0.00 1.01 0.00 0.00 58.87 59.90 2emg n SER 6 Cb 0.47 -0.34 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 2emg n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2emg n GLY 7 N 2.32 0.81 3.79 0.23 0.00 -1.26 -3.96 105.19 107.12 2emg n GLY 7 Ca -0.23 -0.54 -0.32 0.00 0.00 0.00 0.00 46.02 44.93 2emg n GLY 7 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2emg n THR 8 N -1.77 -0.04 0.00 2.61 -2.24 -1.26 -4.19 114.28 107.40 2emg n THR 8 Ca 0.00 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 2emg n THR 8 Cb 0.43 -0.39 0.00 0.00 -2.10 0.00 0.00 70.33 68.27 2emg n THR 8 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2emg n GLY 9 N -0.98 3.69 2.70 3.38 0.00 -1.25 -4.20 105.19 108.53 2emg n GLY 9 Ca 0.07 0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 2emg n GLY 9 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2emg s GLU 10 N 0.00 0.76 0.57 1.61 0.41 -1.26 -5.11 118.70 115.67 2emg s GLU 10 Ca 0.00 -1.21 -0.19 0.00 -0.41 0.00 0.00 54.97 53.16 2emg s GLU 10 Cb 0.00 -1.94 -0.05 0.00 -1.78 0.00 0.00 34.13 30.36 2emg s GLU 10 CO 0.00 -1.04 1.16 -0.80 -0.49 0.00 0.00 175.26 174.10 2emg s ASN 11 N 1.39 5.48 -0.02 -0.19 0.01 -1.26 -4.98 114.94 115.37 2emg s ASN 11 Ca 0.12 2.26 -0.23 0.00 -0.71 0.00 0.00 52.86 54.30 2emg s ASN 11 Cb -0.19 -2.59 -0.16 0.00 0.41 0.00 0.00 41.25 38.72 2emg s ASN 11 CO -0.20 -1.38 1.06 1.55 -1.51 0.00 0.00 177.10 176.61 2emg h PRO 12 N 1.04 -0.30 -1.75 -0.60 0.13 -1.95 -3.46 132.00 125.11 2emg h PRO 12 Ca -0.50 0.02 0.10 0.00 -0.87 0.00 0.00 66.00 64.75 2emg h PRO 12 Cb 1.28 0.07 -0.21 0.00 0.13 0.00 0.00 31.00 32.26 2emg h PRO 12 CO 0.56 0.07 -0.02 -0.06 -0.23 0.00 0.00 178.00 178.32 2emg s PHE 13 N -4.05 -1.14 -0.01 1.56 0.08 -1.25 -5.01 117.98 108.16 2emg s PHE 13 Ca -0.13 2.01 0.06 0.00 0.12 0.00 0.00 56.93 58.99 2emg s PHE 13 Cb 0.01 0.69 -0.02 0.00 -0.57 0.00 0.00 43.02 43.13 2emg s PHE 13 CO 0.51 -0.57 -0.19 0.42 -0.10 0.00 0.00 175.22 175.29 2emg s ILE 14 N 2.64 1.53 -0.04 0.64 1.01 -1.26 -0.69 121.20 125.03 2emg s ILE 14 Ca -0.06 -0.87 -0.30 0.00 0.00 0.00 0.00 60.65 59.43 2emg s ILE 14 Cb -0.10 -1.28 -0.05 0.00 0.01 0.00 0.00 42.46 41.04 2emg s ILE 14 CO -0.19 0.40 1.50 0.00 0.00 0.00 0.00 174.94 176.65 2emg n SER 16 N 6.26 4.63 0.00 0.00 7.64 -1.26 -2.55 113.62 128.35 2emg n SER 16 Ca 0.15 -2.53 0.00 0.00 1.01 0.00 0.00 58.87 57.50 2emg n SER 16 Cb 0.43 -0.86 0.00 0.00 -1.01 0.00 0.00 64.21 62.77 2emg n SER 16 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2emg n GLU 17 N 0.61 0.00 -0.04 1.43 -0.58 -1.26 -4.98 120.64 115.82 2emg n GLU 17 Ca 0.13 0.00 -0.08 0.00 -0.42 0.00 0.00 57.16 56.79 2emg n GLU 17 Cb 0.63 -0.17 -0.03 0.00 -0.57 0.00 0.00 31.44 31.30 2emg n GLU 17 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2emg n GLY 19 N 2.67 0.93 3.57 0.00 0.00 -1.06 -5.05 105.19 106.25 2emg n GLY 19 Ca -0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.50 2emg n GLY 19 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2emg s LYS 20 N 0.00 3.87 -0.02 1.61 2.20 -1.26 -4.80 119.74 121.33 2emg s LYS 20 Ca 0.00 -0.38 -0.14 0.00 -0.36 0.00 0.00 55.97 55.09 2emg s LYS 20 Cb 0.00 -3.33 -0.05 0.00 -1.51 0.00 0.00 37.83 32.93 2emg s LYS 20 CO 0.00 0.04 0.38 0.54 -0.36 0.00 0.00 175.35 175.95 2emg s VAL 21 N 1.03 5.10 -0.03 4.02 0.11 -1.26 -0.48 120.40 128.88 2emg s VAL 21 Ca 0.05 0.77 0.05 0.00 -2.93 0.00 0.00 61.98 59.91 2emg s VAL 21 Cb -0.14 -3.68 -0.01 0.00 -1.53 0.00 0.00 36.38 31.02 2emg s VAL 21 CO 0.03 0.56 -0.18 -0.36 -3.33 0.00 0.00 175.10 171.83 2emg s PHE 22 N -0.93 1.72 0.17 1.54 0.40 0.14 -4.99 117.98 116.03 2emg s PHE 22 Ca 0.23 -0.43 -0.14 0.00 -0.60 0.00 0.00 56.93 55.99 2emg s PHE 22 Cb -0.16 -1.14 0.06 0.00 0.51 0.00 0.00 43.02 42.29 2emg s PHE 22 CO 0.12 -0.11 1.77 1.15 0.70 0.00 0.00 175.22 178.85 2emg h THR 23 N 5.01 1.18 -3.14 0.64 2.02 -1.99 -3.33 112.91 113.30 2emg h THR 23 Ca -0.35 -0.48 -0.67 0.00 0.77 0.00 0.00 66.41 65.69 2emg h THR 23 Cb 1.16 0.51 -0.11 0.00 -1.74 0.00 0.00 68.15 67.97 2emg h THR 23 CO 0.48 0.20 -0.58 -2.28 0.37 0.00 0.00 175.52 173.70 2emg s HIS 24 N -5.83 3.27 0.22 3.16 5.65 -1.26 -4.88 115.29 115.62 2emg s HIS 24 Ca -0.13 0.23 -0.09 0.00 0.25 0.00 0.00 55.06 55.32 2emg s HIS 24 Cb 0.12 -1.77 0.20 0.00 -1.18 0.00 0.00 32.58 29.95 2emg s HIS 24 CO 0.76 0.54 1.88 1.57 -0.65 0.00 0.00 174.74 178.85 2emg h LYS 25 N 4.55 1.03 -0.42 2.88 2.10 -1.95 -2.60 116.57 122.16 2emg h LYS 25 Ca -0.50 -0.06 0.04 0.00 -2.00 0.00 0.00 60.65 58.13 2emg h LYS 25 Cb 1.19 -0.23 -0.04 0.00 -0.90 0.00 0.00 32.23 32.25 2emg h LYS 25 CO 0.59 0.68 0.18 1.15 -2.00 0.00 0.00 179.45 180.05 2emg h THR 26 N 1.06 0.91 -0.50 0.07 2.02 -1.97 -2.44 112.91 112.07 2emg h THR 26 Ca 0.31 -0.13 0.10 0.00 0.77 0.00 0.00 66.41 67.46 2emg h THR 26 Cb -0.08 0.52 -0.09 0.00 -1.74 0.00 0.00 68.15 66.76 2emg h THR 26 CO -0.08 0.07 -0.10 0.78 0.37 0.00 0.00 175.52 176.55 2emg h ASN 27 N 0.37 -0.42 0.42 4.18 4.21 -1.87 -1.43 115.58 121.04 2emg h ASN 27 Ca 0.19 0.15 -0.01 0.00 1.21 0.00 0.00 56.30 57.84 2emg h ASN 27 Cb 0.14 0.29 -0.02 0.00 -1.12 0.00 0.00 38.32 37.62 2emg h ASN 27 CO -0.17 -0.15 -0.38 0.25 -1.29 0.00 0.00 177.43 175.69 2emg h LEU 28 N 0.02 -1.03 -0.86 1.61 5.85 -1.36 -1.92 115.31 117.63 2emg h LEU 28 Ca 0.25 0.08 0.22 0.00 0.84 0.00 0.00 57.88 59.27 2emg h LEU 28 Cb 0.38 0.34 -0.13 0.00 0.37 0.00 0.00 40.66 41.61 2emg h LEU 28 CO -0.50 -0.54 0.25 0.40 -0.34 0.00 0.00 178.44 177.71 2emg h ILE 29 N -0.82 0.37 -0.45 4.05 2.04 -0.99 0.60 117.51 122.32 2emg h ILE 29 Ca -0.04 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.71 2emg h ILE 29 Cb 0.72 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 2emg h ILE 29 CO -0.04 0.05 0.17 0.40 0.00 0.00 0.00 178.15 178.73 2emg h ILE 30 N 0.25 1.17 0.21 -0.67 2.04 -0.81 -2.86 117.51 116.85 2emg h ILE 30 Ca 0.53 -0.54 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 2emg h ILE 30 Cb 1.04 0.64 0.00 0.00 -0.74 0.00 0.00 36.82 37.76 2emg h ILE 30 CO -0.61 0.21 -0.10 -0.74 0.00 0.00 0.00 178.15 176.90 2emg h HIS 31 N 0.64 -0.27 -0.88 1.37 2.76 0.86 -3.22 115.15 116.42 2emg h HIS 31 Ca 0.15 -0.01 0.25 0.00 -2.20 0.00 0.00 60.37 58.57 2emg h HIS 31 Cb 0.14 0.09 -0.04 0.00 1.55 0.00 0.00 27.41 29.15 2emg h HIS 31 CO 0.01 -0.16 1.16 1.96 -1.30 0.00 0.00 177.93 179.59 2emg h GLN 32 N -0.73 0.00 -1.29 5.26 4.20 -0.93 0.28 115.11 121.90 2emg h GLN 32 Ca -0.03 0.00 0.37 0.00 0.06 0.00 0.00 58.65 59.05 2emg h GLN 32 Cb 0.22 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 27.93 2emg h GLN 32 CO 0.05 0.00 0.90 0.87 -0.67 0.00 0.00 178.83 179.98 2emg h LYS 33 N 0.00 0.09 -0.04 1.46 1.57 -1.51 1.21 116.57 119.35 2emg h LYS 33 Ca 0.42 -0.01 -0.14 0.00 -1.87 0.00 0.00 60.65 59.06 2emg h LYS 33 Cb 2.73 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 35.01 2emg h LYS 33 CO -0.00 0.06 -0.60 -0.84 -0.57 0.00 0.00 179.45 177.50 2emg h ILE 34 N 0.10 1.41 -0.03 1.86 3.07 -0.51 0.48 117.51 123.88 2emg h ILE 34 Ca 0.66 -2.01 -0.24 0.00 1.55 0.00 0.00 64.86 64.82 2emg h ILE 34 Cb 2.37 2.04 0.01 0.00 -0.27 0.00 0.00 36.82 40.98 2emg h ILE 34 CO -0.13 0.58 -0.95 0.45 -1.05 0.00 0.00 178.15 177.05 2emg h HIS 35 N 0.10 0.91 0.16 0.16 3.86 0.13 -3.32 115.15 117.14 2emg h HIS 35 Ca -0.01 -0.47 -0.32 0.00 -1.16 0.00 0.00 60.37 58.42 2emg h HIS 35 Cb 1.08 -0.11 0.01 0.00 1.06 0.00 0.00 27.41 29.44 2emg h HIS 35 CO 0.01 1.30 -1.52 0.00 0.86 0.00 0.00 177.93 178.58 2emg h THR 36 N 0.37 1.18 -4.62 2.45 1.03 -1.23 -3.48 112.91 108.61 2emg h THR 36 Ca -0.10 -2.77 -0.33 0.00 -0.01 0.00 0.00 66.41 63.21 2emg h THR 36 Cb 1.59 2.83 -0.14 0.00 -1.07 0.00 0.00 68.15 71.36 2emg h THR 36 CO 0.18 0.84 -0.57 -0.83 -0.01 0.00 0.00 175.52 175.12 2emg s GLY 37 N -4.88 1.78 -1.21 2.99 0.00 0.17 -4.91 107.32 101.25 2emg s GLY 37 Ca -0.10 -1.83 -0.01 0.00 0.00 0.00 0.00 44.72 42.78 2emg s GLY 37 CO 0.87 -1.44 1.02 1.18 0.00 0.00 0.00 173.10 174.73 2emg n GLU 38 N -0.41 -6.78 -4.30 2.90 4.71 -1.26 -3.65 120.64 111.86 2emg n GLU 38 Ca 0.04 0.84 -0.23 0.00 -0.01 0.00 0.00 57.16 57.80 2emg n GLU 38 Cb 0.65 -5.83 -0.12 0.00 -1.01 0.00 0.00 31.44 25.12 2emg n GLU 38 CO 0.00 0.00 0.00 -0.98 0.09 0.00 0.00 177.13 176.24 2emg s ARG 39 N -5.50 1.17 -0.14 3.49 3.03 -1.26 -4.89 118.95 114.85 2emg s ARG 39 Ca 0.10 -1.26 -0.29 0.00 2.03 0.00 0.00 55.73 56.30 2emg s ARG 39 Cb -0.04 -1.32 -0.04 0.00 -1.03 0.00 0.00 34.95 32.52 2emg s ARG 39 CO 0.72 0.29 1.56 -1.25 -1.13 0.00 0.00 175.30 175.49 2emg s PRO 40 N -2.30 4.04 -0.58 3.89 0.04 -1.26 -4.89 135.00 133.94 2emg s PRO 40 Ca 0.10 1.87 -0.33 0.00 0.04 0.00 0.00 61.00 62.68 2emg s PRO 40 Cb -0.08 -3.96 -0.14 0.00 0.04 0.00 0.00 34.50 30.36 2emg s PRO 40 CO 0.05 -0.99 2.38 -1.13 0.04 0.00 0.00 177.00 177.35 2emg n SER 41 N 7.53 1.49 0.00 6.66 3.41 -1.26 -4.65 113.62 126.81 2emg n SER 41 Ca 0.17 0.17 0.00 0.00 -0.26 0.00 0.00 58.87 58.96 2emg n SER 41 Cb 0.44 -1.19 0.00 0.00 -0.26 0.00 0.00 64.21 63.20 2emg n SER 41 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2emg n GLY 42 N 6.53 1.05 1.30 5.00 0.00 -1.26 -5.15 105.19 112.66 2emg n GLY 42 Ca 0.49 -0.10 -0.11 0.00 0.00 0.00 0.00 46.02 46.30 2emg n GLY 42 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2emg n PRO 43 N 0.00 -1.81 -3.96 1.61 -0.04 -1.26 -4.27 135.00 125.26 2emg n PRO 43 Ca 0.00 -0.65 -0.30 0.00 -0.04 0.00 0.00 63.50 62.51 2emg n PRO 43 Cb 0.00 -0.61 0.01 0.00 -0.04 0.00 0.00 33.50 32.86 2emg n PRO 43 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2emg n SER 44 N -3.70 -3.64 -3.51 3.54 2.88 -1.26 -4.73 113.62 103.20 2emg n SER 44 Ca 0.06 -0.86 -0.48 0.00 -1.33 0.00 0.00 58.87 56.26 2emg n SER 44 Cb 0.22 -3.59 -0.07 0.00 -0.75 0.00 0.00 64.21 60.02 2emg n SER 44 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2emg n SER 45 N -2.84 0.49 0.00 -3.46 3.41 -1.26 -5.22 113.62 104.75 2emg n SER 45 Ca -0.02 0.89 0.00 0.00 -0.26 0.00 0.00 58.87 59.48 2emg n SER 45 Cb 0.55 -0.68 0.00 0.00 -0.26 0.00 0.00 64.21 63.82 2emg n SER 45 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49