#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2emg n SER 2 N 0.00 -2.16 -3.67 1.61 3.41 -1.26 -4.92 113.62 106.63 2emg n SER 2 Ca 0.00 -1.10 -0.13 0.00 -0.26 0.00 0.00 58.87 57.38 2emg n SER 2 Cb 0.00 -2.39 -0.08 0.00 -0.26 0.00 0.00 64.21 61.48 2emg n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2emg s SER 3 N -3.52 -0.63 -0.13 4.04 0.15 -1.26 -5.07 113.70 107.28 2emg s SER 3 Ca 0.61 1.18 -0.07 0.00 0.70 0.00 0.00 55.95 58.36 2emg s SER 3 Cb -0.34 1.17 0.03 0.00 -1.71 0.00 0.00 66.02 65.17 2emg s SER 3 CO 0.96 -0.20 0.15 0.61 1.20 0.00 0.00 173.24 175.95 2emg n GLY 4 N 3.01 -4.41 3.92 9.45 0.00 -1.26 -5.03 105.19 110.87 2emg n GLY 4 Ca -0.15 0.96 -0.27 0.00 0.00 0.00 0.00 46.02 46.56 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 -0.51 5.48 0.31 1.61 0.01 -1.26 -5.11 113.70 114.24 2emg s SER 5 Ca -0.17 0.72 0.10 0.00 1.31 0.00 0.00 55.95 57.91 2emg s SER 5 Cb 0.01 -1.65 -0.06 0.00 0.21 0.00 0.00 66.02 64.53 2emg s SER 5 CO 0.52 -1.15 -0.12 -0.44 0.41 0.00 0.00 173.24 172.45 2emg s SER 6 N -4.33 3.50 -0.75 2.44 0.01 -1.26 -5.04 113.70 108.27 2emg s SER 6 Ca 0.55 -1.14 -0.25 0.00 1.31 0.00 0.00 55.95 56.42 2emg s SER 6 Cb -0.11 -0.30 -0.14 0.00 0.21 0.00 0.00 66.02 65.69 2emg s SER 6 CO 0.46 -0.15 2.41 0.61 0.41 0.00 0.00 173.24 176.98 2emg n GLY 7 N -0.69 -0.11 3.09 3.44 0.00 -1.26 -4.88 105.19 104.78 2emg n GLY 7 Ca -0.05 0.37 -0.33 0.00 0.00 0.00 0.00 46.02 46.01 2emg n GLY 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2emg s THR 8 N 13.99 2.52 -0.30 2.61 -4.23 -1.26 -4.83 115.64 124.14 2emg s THR 8 Ca 0.95 -1.78 -0.05 0.00 -1.18 0.00 0.00 61.69 59.64 2emg s THR 8 Cb -0.17 -2.59 0.01 0.00 1.34 0.00 0.00 72.50 71.09 2emg s THR 8 CO 0.13 -0.25 0.35 0.61 -0.54 0.00 0.00 174.62 174.92 2emg n GLY 9 N 4.46 -0.94 3.67 3.99 0.00 -1.26 -4.91 105.19 110.19 2emg n GLY 9 Ca -0.08 0.45 -0.42 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.32 4.17 0.25 1.61 8.01 -1.26 -4.97 118.70 124.19 2emg s GLU 10 Ca 0.08 2.39 -0.25 0.00 0.01 0.00 0.00 54.97 57.20 2emg s GLU 10 Cb -0.02 -3.97 -0.09 0.00 -4.31 0.00 0.00 34.13 25.73 2emg s GLU 10 CO 0.41 -0.87 0.87 0.54 0.01 0.00 0.00 175.26 176.22 2emg s ASN 11 N 3.57 7.36 -0.02 -0.19 2.20 -1.26 -5.00 114.94 121.60 2emg s ASN 11 Ca 0.79 1.74 -0.25 0.00 -0.94 0.00 0.00 52.86 54.20 2emg s ASN 11 Cb -0.38 -2.54 -0.20 0.00 -2.00 0.00 0.00 41.25 36.13 2emg s ASN 11 CO 0.35 0.05 1.22 1.55 -2.94 0.00 0.00 177.10 177.33 2emg h PRO 12 N 3.64 -0.06 -2.71 3.55 0.13 -1.93 -3.47 132.00 131.15 2emg h PRO 12 Ca -0.47 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.59 2emg h PRO 12 Cb 1.20 0.01 -0.18 0.00 0.13 0.00 0.00 31.00 32.16 2emg h PRO 12 CO 0.66 0.40 -0.03 -0.06 -0.23 0.00 0.00 178.00 178.74 2emg s PHE 13 N -4.21 -0.39 -0.09 1.56 0.08 -1.26 -5.03 117.98 108.65 2emg s PHE 13 Ca -0.15 0.52 -0.06 0.00 0.12 0.00 0.00 56.93 57.35 2emg s PHE 13 Cb 0.02 0.28 0.03 0.00 -0.57 0.00 0.00 43.02 42.77 2emg s PHE 13 CO 0.64 -0.56 0.22 0.42 -0.10 0.00 0.00 175.22 175.84 2emg s ILE 14 N -1.92 -0.02 0.10 0.64 1.01 -1.26 -3.04 121.20 116.71 2emg s ILE 14 Ca -0.08 0.06 -0.31 0.00 0.00 0.00 0.00 60.65 60.32 2emg s ILE 14 Cb -0.02 -0.32 -0.09 0.00 0.01 0.00 0.00 42.46 42.04 2emg s ILE 14 CO 0.02 0.02 1.60 0.00 0.00 0.00 0.00 174.94 176.58 2emg n SER 16 N 4.95 2.21 0.02 0.00 7.64 -1.26 -2.64 113.62 124.54 2emg n SER 16 Ca 0.15 -2.22 0.00 0.00 1.01 0.00 0.00 58.87 57.81 2emg n SER 16 Cb 0.40 -0.54 0.00 0.00 -1.01 0.00 0.00 64.21 63.06 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 0.14 0.00 -0.06 1.43 -0.58 -1.26 -4.97 120.64 115.33 2emg n GLU 17 Ca 0.07 0.00 -0.14 0.00 -0.42 0.00 0.00 57.16 56.67 2emg n GLU 17 Cb 0.50 -0.44 -0.05 0.00 -0.57 0.00 0.00 31.44 30.89 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 2.10 0.79 3.80 0.00 0.00 -1.08 -5.02 105.19 105.77 2emg n GLY 19 Ca -0.24 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.42 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 3.45 -0.10 1.61 2.20 -1.26 -4.76 119.74 120.88 2emg s LYS 20 Ca 0.00 -0.23 -0.12 0.00 -0.36 0.00 0.00 55.97 55.27 2emg s LYS 20 Cb 0.00 -3.12 -0.05 0.00 -1.51 0.00 0.00 37.83 33.15 2emg s LYS 20 CO 0.00 0.67 0.27 0.08 -0.36 0.00 0.00 175.35 176.01 2emg s VAL 21 N -0.73 5.29 0.38 4.02 1.01 -1.26 -0.62 120.40 128.49 2emg s VAL 21 Ca 0.13 0.51 0.06 0.00 0.00 0.00 0.00 61.98 62.68 2emg s VAL 21 Cb -0.12 -3.57 -0.07 0.00 0.00 0.00 0.00 36.38 32.62 2emg s VAL 21 CO 0.03 0.52 0.02 -0.36 0.00 0.00 0.00 175.10 175.31 2emg s PHE 22 N -0.49 2.35 -0.12 5.22 0.40 -1.17 -5.01 117.98 119.16 2emg s PHE 22 Ca 0.18 -0.74 -0.13 0.00 -0.60 0.00 0.00 56.93 55.64 2emg s PHE 22 Cb -0.14 -1.61 -0.11 0.00 0.51 0.00 0.00 43.02 41.67 2emg s PHE 22 CO 0.06 0.33 0.32 1.15 0.70 0.00 0.00 175.22 177.79 2emg h THR 23 N 1.89 0.77 -4.39 0.64 2.02 -1.99 -3.36 112.91 108.49 2emg h THR 23 Ca -0.43 -1.58 -0.70 0.00 0.77 0.00 0.00 66.41 64.47 2emg h THR 23 Cb 1.24 1.46 -0.29 0.00 -1.74 0.00 0.00 68.15 68.82 2emg h THR 23 CO 0.77 0.26 -0.87 -1.38 0.37 0.00 0.00 175.52 174.67 2emg s HIS 24 N -1.86 2.41 0.20 3.16 0.00 -1.26 -4.85 115.29 113.09 2emg s HIS 24 Ca -0.09 -0.47 -0.21 0.00 -3.00 0.00 0.00 55.06 51.29 2emg s HIS 24 Cb -0.01 -1.54 0.15 0.00 -4.00 0.00 0.00 32.58 27.17 2emg s HIS 24 CO 0.30 -0.05 1.56 1.57 -1.00 0.00 0.00 174.74 177.12 2emg h LYS 25 N 5.61 -0.08 -0.90 -0.38 2.10 -1.96 0.69 116.57 121.65 2emg h LYS 25 Ca -0.41 0.01 0.16 0.00 -2.00 0.00 0.00 60.65 58.41 2emg h LYS 25 Cb 1.14 0.02 -0.16 0.00 -0.90 0.00 0.00 32.23 32.33 2emg h LYS 25 CO 0.48 -0.06 -0.28 2.41 -2.00 0.00 0.00 179.45 180.00 2emg n THR 26 N -5.43 -0.42 -0.06 0.07 -1.04 -1.26 0.68 114.28 106.83 2emg n THR 26 Ca 0.06 2.07 -0.09 0.00 -2.04 0.00 0.00 64.05 64.06 2emg n THR 26 Cb 0.37 -2.82 -0.02 0.00 -1.82 0.00 0.00 70.33 66.04 2emg n THR 26 CO 0.00 0.00 0.00 -1.13 -0.64 0.00 0.00 175.07 173.30 2emg h ASN 27 N 0.00 0.18 0.19 8.00 -1.24 -1.29 -2.25 115.58 119.17 2emg h ASN 27 Ca 0.38 0.01 -0.00 0.00 0.71 0.00 0.00 56.30 57.40 2emg h ASN 27 Cb 0.61 -0.03 -0.01 0.00 0.73 0.00 0.00 38.32 39.62 2emg h ASN 27 CO -0.91 0.14 -0.15 0.25 -1.29 0.00 0.00 177.43 175.47 2emg h LEU 28 N 0.26 -0.39 -0.94 0.34 5.85 0.58 -2.20 115.31 118.80 2emg h LEU 28 Ca 0.10 0.03 0.21 0.00 0.84 0.00 0.00 57.88 59.06 2emg h LEU 28 Cb 0.02 0.13 -0.12 0.00 0.37 0.00 0.00 40.66 41.06 2emg h LEU 28 CO -0.06 -0.24 0.50 0.40 -0.34 0.00 0.00 178.44 178.70 2emg h ILE 29 N -0.36 0.56 -0.69 4.05 2.04 -0.40 0.28 117.51 123.00 2emg h ILE 29 Ca -0.01 -0.19 -0.06 0.00 1.00 0.00 0.00 64.86 65.60 2emg h ILE 29 Cb 0.32 -0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 36.34 2emg h ILE 29 CO -0.01 0.10 0.19 0.40 0.00 0.00 0.00 178.15 178.82 2emg h ILE 30 N 0.54 1.26 -0.11 -0.67 2.04 -0.94 -3.07 117.51 116.56 2emg h ILE 30 Ca 0.58 -0.93 -0.07 0.00 1.00 0.00 0.00 64.86 65.44 2emg h ILE 30 Cb 1.03 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 37.63 2emg h ILE 30 CO -0.47 0.36 -0.19 -0.74 0.00 0.00 0.00 178.15 177.11 2emg h HIS 31 N 1.04 0.41 -0.07 1.37 -0.00 -0.07 -2.99 115.15 114.83 2emg h HIS 31 Ca 0.22 -0.14 0.02 0.00 -0.00 0.00 0.00 60.37 60.47 2emg h HIS 31 Cb 0.34 -0.08 -0.00 0.00 -0.00 0.00 0.00 27.41 27.66 2emg h HIS 31 CO 0.03 0.80 0.59 1.96 -0.00 0.00 0.00 177.93 181.31 2emg h GLN 32 N -0.10 0.00 -0.47 5.26 4.20 -0.52 0.23 115.11 123.72 2emg h GLN 32 Ca 0.01 0.00 0.12 0.00 0.06 0.00 0.00 58.65 58.84 2emg h GLN 32 Cb 0.77 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.53 2emg h GLN 32 CO 0.04 0.00 0.33 0.87 -0.67 0.00 0.00 178.83 179.40 2emg h LYS 33 N 0.00 0.07 0.00 1.46 1.57 -1.49 0.22 116.57 118.40 2emg h LYS 33 Ca 0.03 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2emg h LYS 33 Cb 1.22 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.52 2emg h LYS 33 CO -0.00 0.05 0.00 0.44 -0.57 0.00 0.00 179.45 179.37 2emg n ILE 34 N -4.42 1.21 -0.04 1.86 -5.35 0.80 -1.86 119.36 111.55 2emg n ILE 34 Ca 0.08 0.30 -0.05 0.00 -0.27 0.00 0.00 62.75 62.81 2emg n ILE 34 Cb 0.49 -1.22 -0.06 0.00 -1.74 0.00 0.00 39.64 37.11 2emg n ILE 34 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 2emg n HIS 35 N -1.36 0.00 -0.12 4.28 8.25 0.73 -4.66 115.22 122.34 2emg n HIS 35 Ca 0.02 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.37 2emg n HIS 35 Cb 0.04 -0.39 -0.02 0.00 1.12 0.00 0.00 29.99 30.74 2emg n HIS 35 CO 0.00 0.00 0.00 1.79 0.64 0.00 0.00 176.34 178.77 2emg h THR 36 N 0.00 1.27 -0.80 1.59 1.35 -1.06 -3.18 112.91 112.08 2emg h THR 36 Ca -0.22 -1.05 0.16 0.00 -0.55 0.00 0.00 66.41 64.75 2emg h THR 36 Cb 1.44 1.24 -0.15 0.00 -1.73 0.00 0.00 68.15 68.94 2emg h THR 36 CO -0.01 0.35 -0.22 1.23 -0.25 0.00 0.00 175.52 176.62 2emg h GLY 37 N 0.45 0.52 -7.60 5.82 0.00 -1.64 -3.10 103.07 97.52 2emg h GLY 37 Ca 0.10 0.29 -0.73 0.00 0.00 0.00 0.00 47.33 46.98 2emg h GLY 37 CO 0.02 -0.30 0.89 -0.54 0.00 0.00 0.00 176.54 176.61 2emg s GLU 38 N -6.22 3.83 -0.61 4.80 2.02 -1.20 -4.88 118.70 116.44 2emg s GLU 38 Ca -0.15 -2.27 0.06 0.00 0.02 0.00 0.00 54.97 52.63 2emg s GLU 38 Cb 0.22 -4.87 0.26 0.00 0.10 0.00 0.00 34.13 29.84 2emg s GLU 38 CO 0.75 -1.66 0.74 2.89 0.02 0.00 0.00 175.26 178.01 2emg n ARG 39 N 5.55 2.40 -0.10 1.61 1.85 -1.18 -4.89 116.66 121.90 2emg n ARG 39 Ca 0.27 -4.53 -0.12 0.00 -1.00 0.00 0.00 57.85 52.47 2emg n ARG 39 Cb 0.46 -2.14 0.00 0.00 -1.05 0.00 0.00 32.46 29.73 2emg n ARG 39 CO 0.00 0.00 0.00 -1.00 -0.01 0.00 0.00 177.63 176.62 2emg h PRO 40 N 4.03 0.88 -3.54 2.89 0.13 -1.92 -3.39 132.00 131.07 2emg h PRO 40 Ca 0.18 -0.46 -0.61 0.00 -0.87 0.00 0.00 66.00 64.24 2emg h PRO 40 Cb 0.67 0.01 -0.40 0.00 0.13 0.00 0.00 31.00 31.42 2emg h PRO 40 CO 0.79 1.10 -0.74 0.45 -0.23 0.00 0.00 178.00 179.38 2emg s SER 41 N -6.84 4.03 1.02 1.44 0.15 -1.26 -5.12 113.70 107.11 2emg s SER 41 Ca -0.10 -2.13 -0.15 0.00 0.70 0.00 0.00 55.95 54.26 2emg s SER 41 Cb 0.11 -1.08 0.20 0.00 -1.71 0.00 0.00 66.02 63.54 2emg s SER 41 CO 0.87 -0.35 1.18 -0.83 1.20 0.00 0.00 173.24 175.31 2emg s GLY 42 N 0.97 1.63 -0.62 9.45 0.00 -1.26 -4.92 107.32 112.57 2emg s GLY 42 Ca 0.13 -0.82 -0.26 0.00 0.00 0.00 0.00 44.72 43.76 2emg s GLY 42 CO -0.12 -0.11 1.87 2.56 0.00 0.00 0.00 173.10 177.30 2emg s PRO 43 N -5.46 2.62 0.63 2.90 0.04 -1.26 -4.98 135.00 129.48 2emg s PRO 43 Ca 0.69 0.59 -0.08 0.00 0.04 0.00 0.00 61.00 62.24 2emg s PRO 43 Cb -0.11 -4.41 0.01 0.00 0.04 0.00 0.00 34.50 30.04 2emg s PRO 43 CO 0.54 -2.75 0.97 -1.12 0.04 0.00 0.00 177.00 174.68 2emg s SER 44 N 8.13 5.59 -0.14 6.66 0.01 -1.26 -5.07 113.70 127.62 2emg s SER 44 Ca 0.67 0.89 -0.07 0.00 1.31 0.00 0.00 55.95 58.76 2emg s SER 44 Cb -0.12 -1.83 -0.04 0.00 0.21 0.00 0.00 66.02 64.23 2emg s SER 44 CO 0.20 -1.14 0.10 -0.55 0.41 0.00 0.00 173.24 172.27 2emg s SER 45 N -4.31 6.04 0.00 2.44 0.15 -1.26 -5.32 113.70 111.44 2emg s SER 45 Ca 0.55 0.31 0.26 0.00 0.70 0.00 0.00 55.95 57.77 2emg s SER 45 Cb -0.11 -1.95 1.57 0.00 -1.71 0.00 0.00 66.02 63.82 2emg s SER 45 CO 0.48 0.33 1.92 0.61 1.20 0.00 0.00 173.24 177.78