#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 5.14 0.13 1.61 0.01 -1.26 -5.12 113.70 114.21 2emg s SER 2 Ca 0.00 0.11 -0.02 0.00 1.31 0.00 0.00 55.95 57.35 2emg s SER 2 Cb 0.00 -1.42 -0.05 0.00 0.21 0.00 0.00 66.02 64.76 2emg s SER 2 CO 0.00 0.37 0.32 -0.55 0.41 0.00 0.00 173.24 173.79 2emg s SER 3 N -0.91 6.42 0.00 2.44 0.15 -1.26 -4.75 113.70 115.79 2emg s SER 3 Ca 0.13 0.43 0.00 0.00 0.70 0.00 0.00 55.95 57.21 2emg s SER 3 Cb -0.11 -2.02 0.00 0.00 -1.71 0.00 0.00 66.02 62.17 2emg s SER 3 CO 0.03 0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.15 2emg n GLY 4 N -0.03 2.12 3.57 9.45 0.00 -1.26 -4.98 105.19 114.06 2emg n GLY 4 Ca -0.04 -0.67 -0.38 0.00 0.00 0.00 0.00 46.02 44.93 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 -4.00 6.25 -0.25 1.61 0.01 -1.26 -4.85 113.70 111.21 2emg s SER 5 Ca 0.00 -1.73 -0.03 0.00 1.31 0.00 0.00 55.95 55.50 2emg s SER 5 Cb 0.00 -2.57 0.13 0.00 0.21 0.00 0.00 66.02 63.79 2emg s SER 5 CO 0.00 -1.75 0.43 -0.44 0.41 0.00 0.00 173.24 171.88 2emg s SER 6 N 5.31 -0.14 -0.76 2.44 0.01 -1.26 -5.04 113.70 114.25 2emg s SER 6 Ca 0.55 0.50 -0.02 0.00 1.31 0.00 0.00 55.95 58.29 2emg s SER 6 Cb 0.00 1.36 0.39 0.00 0.21 0.00 0.00 66.02 67.98 2emg s SER 6 CO 0.01 -0.28 2.01 0.61 0.41 0.00 0.00 173.24 176.00 2emg n GLY 7 N 5.38 5.69 3.73 3.44 0.00 -1.26 -4.83 105.19 117.34 2emg n GLY 7 Ca -0.04 -2.41 -0.26 0.00 0.00 0.00 0.00 46.02 43.30 2emg n GLY 7 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2emg n THR 8 N -0.70 -2.86 0.00 2.61 -1.04 -1.26 -4.77 114.28 106.26 2emg n THR 8 Ca 0.58 -0.07 0.00 0.00 -2.04 0.00 0.00 64.05 62.52 2emg n THR 8 Cb 0.42 -3.55 0.00 0.00 -1.82 0.00 0.00 70.33 65.39 2emg n THR 8 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2emg n GLY 9 N -1.80 0.75 3.47 3.41 0.00 -1.26 -5.10 105.19 104.67 2emg n GLY 9 Ca -0.02 -2.26 -0.26 0.00 0.00 0.00 0.00 46.02 43.48 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 -0.82 1.70 0.65 1.61 2.02 -1.26 -5.01 118.70 117.60 2emg s GLU 10 Ca 0.00 -1.51 -0.17 0.00 0.02 0.00 0.00 54.97 53.31 2emg s GLU 10 Cb 0.00 -1.91 -0.00 0.00 0.10 0.00 0.00 34.13 32.31 2emg s GLU 10 CO 0.00 0.39 1.19 0.54 0.02 0.00 0.00 175.26 177.40 2emg s ASN 11 N -2.91 4.83 -0.00 -0.19 2.20 -1.26 -4.97 114.94 112.63 2emg s ASN 11 Ca 0.24 2.30 -0.24 0.00 -0.94 0.00 0.00 52.86 54.22 2emg s ASN 11 Cb -0.07 -2.59 -0.19 0.00 -2.00 0.00 0.00 41.25 36.40 2emg s ASN 11 CO 0.12 -1.83 1.29 1.55 -2.94 0.00 0.00 177.10 175.29 2emg h PRO 12 N 0.31 0.11 -3.28 3.55 0.13 -1.95 -3.47 132.00 127.39 2emg h PRO 12 Ca -0.49 -0.06 -0.05 0.00 -0.87 0.00 0.00 66.00 64.53 2emg h PRO 12 Cb 1.29 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.28 2emg h PRO 12 CO 0.53 0.56 -0.05 -0.06 -0.23 0.00 0.00 178.00 178.75 2emg s PHE 13 N -4.27 -0.25 -0.02 1.56 0.08 -1.26 -5.05 117.98 108.78 2emg s PHE 13 Ca -0.15 -0.01 -0.05 0.00 0.12 0.00 0.00 56.93 56.84 2emg s PHE 13 Cb 0.03 0.28 0.00 0.00 -0.57 0.00 0.00 43.02 42.76 2emg s PHE 13 CO 0.70 -0.69 0.12 0.42 -0.10 0.00 0.00 175.22 175.67 2emg s ILE 14 N -3.55 0.05 -1.04 0.64 1.01 -1.26 -3.26 121.20 113.79 2emg s ILE 14 Ca 0.01 -0.40 -0.20 0.00 0.00 0.00 0.00 60.65 60.07 2emg s ILE 14 Cb 0.01 -0.31 0.10 0.00 0.01 0.00 0.00 42.46 42.27 2emg s ILE 14 CO -0.10 -0.22 1.35 0.00 0.00 0.00 0.00 174.94 175.97 2emg n SER 16 N 7.57 0.00 0.01 0.00 7.64 -1.26 0.85 113.62 128.42 2emg n SER 16 Ca 0.32 0.78 -0.00 0.00 1.01 0.00 0.00 58.87 60.97 2emg n SER 16 Cb 0.49 -0.28 -0.00 0.00 -1.01 0.00 0.00 64.21 63.41 2emg n SER 16 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2emg h GLU 17 N 0.00 -0.02 0.00 1.43 3.07 -1.99 -3.42 114.58 113.66 2emg h GLU 17 Ca 0.52 0.00 -0.30 0.00 -0.50 0.00 0.00 59.36 59.09 2emg h GLU 17 Cb 3.00 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 30.87 2emg h GLU 17 CO -0.01 -0.01 -1.67 0.00 -1.40 0.00 0.00 179.01 175.92 2emg n GLY 19 N 1.38 1.04 3.78 0.00 0.00 0.25 -5.00 105.19 106.63 2emg n GLY 19 Ca -0.39 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.31 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 3.03 -0.13 1.61 2.20 -1.26 -4.73 119.74 120.47 2emg s LYS 20 Ca 0.00 -0.52 -0.06 0.00 -0.36 0.00 0.00 55.97 55.03 2emg s LYS 20 Cb 0.00 -2.83 -0.04 0.00 -1.51 0.00 0.00 37.83 33.45 2emg s LYS 20 CO 0.00 0.63 0.10 0.08 -0.36 0.00 0.00 175.35 175.80 2emg s VAL 21 N -1.23 5.12 -0.03 4.02 1.01 -1.26 -0.51 120.40 127.52 2emg s VAL 21 Ca 0.24 0.06 0.05 0.00 0.00 0.00 0.00 61.98 62.33 2emg s VAL 21 Cb -0.12 -3.23 -0.01 0.00 0.00 0.00 0.00 36.38 33.02 2emg s VAL 21 CO 0.15 0.58 -0.16 -0.36 0.00 0.00 0.00 175.10 175.31 2emg s PHE 22 N -0.71 1.54 0.05 5.22 0.40 -1.20 -5.02 117.98 118.25 2emg s PHE 22 Ca 0.13 -0.37 -0.21 0.00 -0.60 0.00 0.00 56.93 55.88 2emg s PHE 22 Cb -0.12 -1.02 -0.13 0.00 0.51 0.00 0.00 43.02 42.26 2emg s PHE 22 CO 0.03 -0.09 1.39 1.15 0.70 0.00 0.00 175.22 178.40 2emg h THR 23 N 5.02 1.32 -3.23 0.64 2.02 -1.97 -3.36 112.91 113.34 2emg h THR 23 Ca -0.34 -1.14 -0.58 0.00 0.77 0.00 0.00 66.41 65.11 2emg h THR 23 Cb 1.16 1.74 -0.07 0.00 -1.74 0.00 0.00 68.15 69.25 2emg h THR 23 CO 0.48 0.34 -0.14 -2.28 0.37 0.00 0.00 175.52 174.29 2emg s HIS 24 N -4.53 3.62 0.23 3.16 5.65 -1.26 -4.95 115.29 117.21 2emg s HIS 24 Ca -0.14 0.98 -0.06 0.00 0.25 0.00 0.00 55.06 56.09 2emg s HIS 24 Cb 0.05 -2.47 0.32 0.00 -1.18 0.00 0.00 32.58 29.30 2emg s HIS 24 CO 0.74 0.37 1.83 -0.22 -0.65 0.00 0.00 174.74 176.81 2emg h LYS 25 N 5.81 0.84 -0.08 2.88 1.63 -2.00 -1.26 116.57 124.38 2emg h LYS 25 Ca -0.45 -0.05 -0.10 0.00 -0.85 0.00 0.00 60.65 59.19 2emg h LYS 25 Cb 1.20 -0.19 -0.01 0.00 -0.60 0.00 0.00 32.23 32.62 2emg h LYS 25 CO 0.70 0.56 -0.42 1.15 -3.45 0.00 0.00 179.45 177.99 2emg h THR 26 N 0.87 1.31 -0.34 1.00 2.02 -1.97 -2.74 112.91 113.06 2emg h THR 26 Ca 0.36 -1.51 -0.02 0.00 0.77 0.00 0.00 66.41 66.01 2emg h THR 26 Cb 0.20 1.71 -0.02 0.00 -1.74 0.00 0.00 68.15 68.30 2emg h THR 26 CO -0.18 0.45 0.13 0.78 0.37 0.00 0.00 175.52 177.06 2emg h ASN 27 N 0.16 0.42 0.01 4.18 2.35 -1.64 -0.64 115.58 120.42 2emg h ASN 27 Ca 0.01 -0.04 -0.08 0.00 -0.55 0.00 0.00 56.30 55.65 2emg h ASN 27 Cb 0.80 -0.11 0.01 0.00 0.05 0.00 0.00 38.32 39.07 2emg h ASN 27 CO 0.06 0.40 -0.30 0.25 -1.65 0.00 0.00 177.43 176.19 2emg h LEU 28 N 0.47 0.25 -0.60 1.61 5.85 -1.23 -2.93 115.31 118.73 2emg h LEU 28 Ca 0.12 -0.80 0.03 0.00 0.84 0.00 0.00 57.88 58.06 2emg h LEU 28 Cb 0.11 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.02 2emg h LEU 28 CO -0.01 1.02 0.36 0.40 -0.34 0.00 0.00 178.44 179.87 2emg h ILE 29 N -0.50 1.06 -0.06 4.05 2.04 -1.28 0.21 117.51 123.04 2emg h ILE 29 Ca -0.04 -0.24 -0.04 0.00 1.00 0.00 0.00 64.86 65.54 2emg h ILE 29 Cb 1.07 0.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 2emg h ILE 29 CO 0.06 0.13 -0.13 0.40 0.00 0.00 0.00 178.15 178.60 2emg h ILE 30 N 0.71 1.13 0.15 -0.67 2.04 -1.21 -2.84 117.51 116.82 2emg h ILE 30 Ca 0.24 -0.60 -0.23 0.00 1.00 0.00 0.00 64.86 65.28 2emg h ILE 30 Cb 0.03 1.24 0.03 0.00 -0.74 0.00 0.00 36.82 37.38 2emg h ILE 30 CO -0.10 0.18 -0.99 -0.74 0.00 0.00 0.00 178.15 176.49 2emg h HIS 31 N 0.08 0.71 -0.10 1.37 -0.00 -1.09 -3.24 115.15 112.88 2emg h HIS 31 Ca 0.02 -0.49 0.03 0.00 -0.00 0.00 0.00 60.37 59.92 2emg h HIS 31 Cb 0.29 -0.04 -0.00 0.00 -0.00 0.00 0.00 27.41 27.66 2emg h HIS 31 CO 0.00 1.37 0.48 1.96 -0.00 0.00 0.00 177.93 181.74 2emg h GLN 32 N -0.15 0.00 -0.20 5.26 4.20 -0.38 0.18 115.11 124.02 2emg h GLN 32 Ca -0.17 0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.60 2emg h GLN 32 Cb 1.76 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.53 2emg h GLN 32 CO 0.19 0.00 0.20 0.87 -0.67 0.00 0.00 178.83 179.41 2emg h LYS 33 N 0.00 0.00 0.00 1.46 1.57 -1.57 0.17 116.57 118.20 2emg h LYS 33 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2emg h LYS 33 Cb 1.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.31 2emg h LYS 33 CO -0.00 0.00 0.00 0.44 -0.57 0.00 0.00 179.45 179.32 2emg n ILE 34 N -3.97 0.88 -0.01 1.86 -5.35 0.63 -2.04 119.36 111.36 2emg n ILE 34 Ca 0.02 0.22 0.01 0.00 -0.27 0.00 0.00 62.75 62.73 2emg n ILE 34 Cb 0.33 -1.06 -0.03 0.00 -1.74 0.00 0.00 39.64 37.13 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 -1.32 0.00 -2.59 4.28 8.25 0.55 -4.87 115.22 119.52 2emg n HIS 35 Ca 0.04 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.08 2emg n HIS 35 Cb 0.08 -0.13 -0.01 0.00 1.12 0.00 0.00 29.99 31.05 2emg n HIS 35 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2emg s THR 36 N -2.23 4.09 0.26 1.59 -4.23 -0.87 -4.96 115.64 109.29 2emg s THR 36 Ca -0.02 -1.59 0.07 0.00 -1.18 0.00 0.00 61.69 58.98 2emg s THR 36 Cb 0.02 -5.15 -0.04 0.00 1.34 0.00 0.00 72.50 68.68 2emg s THR 36 CO 0.18 -1.99 0.20 -0.83 -0.54 0.00 0.00 174.62 171.64 2emg s GLY 37 N 4.41 1.44 -0.56 3.99 0.00 -1.26 -4.95 107.32 110.39 2emg s GLY 37 Ca 0.51 -1.44 0.04 0.00 0.00 0.00 0.00 44.72 43.83 2emg s GLY 37 CO 0.02 -1.47 0.31 -1.83 0.00 0.00 0.00 173.10 170.13 2emg s GLU 38 N -3.85 2.04 -0.17 2.90 -1.05 -1.26 -5.06 118.70 112.25 2emg s GLU 38 Ca 0.33 -2.75 -0.17 0.00 -0.15 0.00 0.00 54.97 52.24 2emg s GLU 38 Cb -0.08 -3.27 0.05 0.00 -0.44 0.00 0.00 34.13 30.39 2emg s GLU 38 CO 0.25 -1.16 0.47 0.50 0.95 0.00 0.00 175.26 176.27 2emg s ARG 39 N -0.52 0.56 0.00 -4.83 3.52 -1.26 -5.02 118.95 111.40 2emg s ARG 39 Ca 0.19 0.61 0.15 0.00 -0.13 0.00 0.00 55.73 56.56 2emg s ARG 39 Cb -0.21 0.27 0.85 0.00 -1.56 0.00 0.00 34.95 34.31 2emg s ARG 39 CO -0.04 -0.08 1.37 -0.35 -0.81 0.00 0.00 175.30 175.40 2emg n PRO 40 N 2.73 0.37 -3.61 5.12 -0.04 -1.26 -4.86 135.00 133.44 2emg n PRO 40 Ca -0.14 0.06 -0.21 0.00 -0.04 0.00 0.00 63.50 63.17 2emg n PRO 40 Cb 0.57 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.59 2emg n PRO 40 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2emg n SER 41 N -1.12 -2.81 0.00 3.54 2.88 -1.26 -5.00 113.62 109.85 2emg n SER 41 Ca 0.10 -0.70 0.00 0.00 -1.33 0.00 0.00 58.87 56.94 2emg n SER 41 Cb 0.08 -4.58 0.00 0.00 -0.75 0.00 0.00 64.21 58.96 2emg n SER 41 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2emg n GLY 42 N -1.50 7.16 3.71 0.46 0.00 -1.26 -5.14 105.19 108.62 2emg n GLY 42 Ca -0.20 -2.01 -0.30 0.00 0.00 0.00 0.00 46.02 43.52 2emg n GLY 42 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2emg s PRO 43 N 1.25 1.09 0.25 1.61 0.04 -1.26 -4.92 135.00 133.07 2emg s PRO 43 Ca 0.00 0.76 -0.22 0.00 0.04 0.00 0.00 61.00 61.58 2emg s PRO 43 Cb 0.00 -1.79 -0.14 0.00 0.04 0.00 0.00 34.50 32.60 2emg s PRO 43 CO 0.00 -2.34 0.30 -1.13 0.04 0.00 0.00 177.00 173.87 2emg n SER 44 N -3.94 -1.68 -4.63 6.66 3.41 -1.26 -4.97 113.62 107.20 2emg n SER 44 Ca 0.07 0.88 -0.25 0.00 -0.26 0.00 0.00 58.87 59.30 2emg n SER 44 Cb 0.56 -0.81 -0.09 0.00 -0.26 0.00 0.00 64.21 63.61 2emg n SER 44 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2emg s SER 45 N -0.88 4.16 0.00 4.04 0.15 -1.26 -5.24 113.70 114.68 2emg s SER 45 Ca 0.54 -1.02 0.00 0.00 0.70 0.00 0.00 55.95 56.17 2emg s SER 45 Cb -0.71 -0.52 0.00 0.00 -1.71 0.00 0.00 66.02 63.08 2emg s SER 45 CO 0.52 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 175.30