#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2emi s SER 2 N 0.00 -0.47 -0.12 1.61 0.01 -1.26 -5.16 113.70 108.31 2emi s SER 2 Ca 0.00 -0.19 -0.01 0.00 1.31 0.00 0.00 55.95 57.06 2emi s SER 2 Cb 0.00 0.64 -0.02 0.00 0.21 0.00 0.00 66.02 66.85 2emi s SER 2 CO 0.00 -1.09 -0.09 -0.55 0.41 0.00 0.00 173.24 171.93 2emi s SER 3 N -2.80 4.43 0.00 2.44 0.15 -1.26 -5.11 113.70 111.55 2emi s SER 3 Ca 0.04 -0.18 0.00 0.00 0.70 0.00 0.00 55.95 56.51 2emi s SER 3 Cb -0.03 -1.51 0.00 0.00 -1.71 0.00 0.00 66.02 62.77 2emi s SER 3 CO -0.07 0.22 0.00 0.61 1.20 0.00 0.00 173.24 175.21 2emi n GLY 4 N 3.14 3.81 3.83 9.45 0.00 -1.26 -5.18 105.19 118.99 2emi n GLY 4 Ca -0.18 -1.76 -0.08 0.00 0.00 0.00 0.00 46.02 44.00 2emi n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2emi s SER 5 N 0.18 -0.12 0.37 1.61 0.15 -1.26 -5.19 113.70 109.44 2emi s SER 5 Ca 0.00 -0.88 0.06 0.00 0.70 0.00 0.00 55.95 55.82 2emi s SER 5 Cb 0.00 0.79 -0.07 0.00 -1.71 0.00 0.00 66.02 65.03 2emi s SER 5 CO 0.00 -1.52 0.03 -0.44 1.20 0.00 0.00 173.24 172.51 2emi s SER 6 N -3.00 3.21 -1.22 5.45 0.01 -1.26 -5.07 113.70 111.82 2emi s SER 6 Ca 0.13 -1.38 -0.13 0.00 1.31 0.00 0.00 55.95 55.88 2emi s SER 6 Cb -0.05 -0.25 0.17 0.00 0.21 0.00 0.00 66.02 66.09 2emi s SER 6 CO 0.09 -0.52 1.48 0.61 0.41 0.00 0.00 173.24 175.31 2emi n GLY 7 N -0.85 3.45 3.83 3.44 0.00 -1.26 -4.99 105.19 108.82 2emi n GLY 7 Ca -0.04 -2.00 -0.37 0.00 0.00 0.00 0.00 46.02 43.62 2emi n GLY 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2emi s THR 8 N 1.56 5.44 0.00 2.61 -4.23 -1.26 -5.09 115.64 114.67 2emi s THR 8 Ca 0.43 0.27 0.00 0.00 -1.18 0.00 0.00 61.69 61.21 2emi s THR 8 Cb -0.02 -3.45 0.00 0.00 1.34 0.00 0.00 72.50 70.37 2emi s THR 8 CO 0.01 0.56 0.00 0.61 -0.54 0.00 0.00 174.62 175.25 2emi n GLY 9 N 2.43 -2.34 3.68 3.99 0.00 -1.26 -4.74 105.19 106.96 2emi n GLY 9 Ca -0.18 -0.33 -0.28 0.00 0.00 0.00 0.00 46.02 45.23 2emi n GLY 9 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2emi n GLU 10 N 0.00 -5.20 -2.19 1.61 -0.58 -1.26 -4.82 120.64 108.20 2emi n GLU 10 Ca 0.00 0.63 -0.32 0.00 -0.42 0.00 0.00 57.16 57.05 2emi n GLU 10 Cb 0.00 -5.49 -0.05 0.00 -0.57 0.00 0.00 31.44 25.33 2emi n GLU 10 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2emi s ARG 11 N -6.38 2.85 0.33 3.49 0.52 -1.26 -4.91 118.95 113.60 2emi s ARG 11 Ca 0.57 -1.35 0.09 0.00 -0.52 0.00 0.00 55.73 54.52 2emi s ARG 11 Cb -0.28 -5.31 -0.05 0.00 0.52 0.00 0.00 34.95 29.82 2emi s ARG 11 CO 0.70 -3.56 0.02 -3.38 0.02 0.00 0.00 175.30 169.10 2emi s HIS 12 N 9.39 2.56 -0.24 -0.53 -3.43 -1.26 -5.04 115.29 116.74 2emi s HIS 12 Ca 0.65 -0.42 -0.20 0.00 -0.80 0.00 0.00 55.06 54.29 2emi s HIS 12 Cb 0.00 -1.47 -0.02 0.00 -1.43 0.00 0.00 32.58 29.66 2emi s HIS 12 CO 0.12 0.48 0.60 0.71 -2.00 0.00 0.00 174.74 174.65 2emi s TYR 13 N -2.50 3.31 0.02 0.38 1.51 -0.61 -4.92 117.35 114.54 2emi s TYR 13 Ca 0.35 0.82 -0.01 0.00 -1.01 0.00 0.00 57.07 57.22 2emi s TYR 13 Cb -0.01 -2.80 -0.04 0.00 -0.11 0.00 0.00 41.96 39.01 2emi s TYR 13 CO 0.20 -0.26 0.14 -1.21 -1.11 0.00 0.00 175.55 173.31 2emi s GLU 14 N 2.25 3.24 -0.14 -0.62 8.01 -1.26 -1.38 118.70 128.80 2emi s GLU 14 Ca 0.26 -0.45 -0.29 0.00 0.01 0.00 0.00 54.97 54.49 2emi s GLU 14 Cb -0.16 -2.96 -0.01 0.00 -4.31 0.00 0.00 34.13 26.70 2emi s GLU 14 CO 0.09 0.64 1.05 0.00 0.01 0.00 0.00 175.26 177.05 2emi n SER 16 N 5.52 3.58 0.01 0.00 2.88 -1.26 -2.78 113.62 121.57 2emi n SER 16 Ca 0.10 -2.47 0.00 0.00 -1.33 0.00 0.00 58.87 55.17 2emi n SER 16 Cb 0.47 -0.66 0.00 0.00 -0.75 0.00 0.00 64.21 63.28 2emi n SER 16 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2emi n GLU 17 N 0.18 0.00 -0.04 -1.46 -0.58 -1.26 -4.98 120.64 112.50 2emi n GLU 17 Ca 0.16 0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.80 2emi n GLU 17 Cb 0.77 -0.36 -0.03 0.00 -0.57 0.00 0.00 31.44 31.25 2emi n GLU 17 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2emi n GLY 19 N 2.44 0.88 3.88 0.00 0.00 -1.12 -5.06 105.19 106.21 2emi n GLY 19 Ca -0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 2emi n GLY 19 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2emi s LYS 20 N 0.00 3.61 -0.10 1.61 2.47 -1.26 -4.78 119.74 121.29 2emi s LYS 20 Ca 0.00 0.65 0.00 0.00 -1.56 0.00 0.00 55.97 55.07 2emi s LYS 20 Cb 0.00 -2.14 0.02 0.00 -1.46 0.00 0.00 37.83 34.25 2emi s LYS 20 CO 0.00 -0.48 -0.08 0.00 0.16 0.00 0.00 175.35 174.94 2emi s ALA 21 N -3.07 1.27 0.06 3.13 0.00 -1.26 -0.52 121.76 121.38 2emi s ALA 21 Ca 0.54 -0.49 0.07 0.00 0.00 0.00 0.00 51.96 52.08 2emi s ALA 21 Cb -0.11 -0.81 -0.03 0.00 0.00 0.00 0.00 23.12 22.17 2emi s ALA 21 CO 0.51 -0.28 -0.20 -0.06 0.00 0.00 0.00 175.76 175.73 2emi s PHE 22 N 1.45 1.72 0.10 0.00 0.40 -0.48 -5.00 117.98 116.17 2emi s PHE 22 Ca 0.00 -0.39 -0.02 0.00 -0.60 0.00 0.00 56.93 55.93 2emi s PHE 22 Cb -0.13 -1.00 -0.21 0.00 0.51 0.00 0.00 43.02 42.19 2emi s PHE 22 CO -0.05 0.11 1.21 0.97 0.70 0.00 0.00 175.22 178.17 2emi h ILE 23 N 4.30 1.52 -3.68 0.64 6.09 -1.96 -1.62 117.51 122.78 2emi h ILE 23 Ca -0.43 -2.98 -0.63 0.00 -1.37 0.00 0.00 64.86 59.45 2emi h ILE 23 Cb 1.17 2.80 -0.17 0.00 0.47 0.00 0.00 36.82 41.09 2emi h ILE 23 CO 0.43 0.87 -0.54 -1.10 -3.07 0.00 0.00 178.15 174.73 2emi s GLN 24 N -2.82 3.92 0.15 2.19 -0.21 -1.26 -4.70 119.66 116.93 2emi s GLN 24 Ca -0.03 -0.34 -0.27 0.00 0.02 0.00 0.00 55.36 54.73 2emi s GLN 24 Cb 0.08 -3.50 -0.01 0.00 1.00 0.00 0.00 33.01 30.58 2emi s GLN 24 CO 0.87 -0.06 1.59 -0.22 -2.12 0.00 0.00 175.29 175.34 2emi h LYS 25 N 7.91 -0.37 -0.85 2.91 3.11 -1.95 -0.55 116.57 126.78 2emi h LYS 25 Ca -0.37 0.03 0.21 0.00 -2.81 0.00 0.00 60.65 57.71 2emi h LYS 25 Cb 1.18 0.08 -0.13 0.00 -1.00 0.00 0.00 32.23 32.36 2emi h LYS 25 CO 0.60 -0.25 0.27 1.03 -2.81 0.00 0.00 179.45 178.30 2emi h SER 26 N -0.38 0.10 -0.85 4.20 0.87 -1.99 0.47 113.55 115.97 2emi h SER 26 Ca 0.12 0.17 0.15 0.00 -1.23 0.00 0.00 61.79 61.00 2emi h SER 26 Cb 0.59 0.21 -0.06 0.00 -0.44 0.00 0.00 62.40 62.70 2emi h SER 26 CO -0.48 -0.08 0.56 0.74 -0.53 0.00 0.00 176.83 177.03 2emi h THR 27 N 0.28 0.80 0.09 2.23 2.02 -1.52 -1.00 112.91 115.81 2emi h THR 27 Ca 0.52 -0.20 -0.00 0.00 0.77 0.00 0.00 66.41 67.50 2emi h THR 27 Cb 1.01 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 2emi h THR 27 CO -0.59 0.10 -0.04 0.25 0.37 0.00 0.00 175.52 175.62 2emi h LEU 28 N 0.57 -0.10 -0.91 2.58 5.85 0.14 -2.99 115.31 120.46 2emi h LEU 28 Ca 0.43 -0.50 0.20 0.00 0.84 0.00 0.00 57.88 58.85 2emi h LEU 28 Cb 0.81 0.03 -0.11 0.00 0.37 0.00 0.00 40.66 41.76 2emi h LEU 28 CO -0.18 0.54 0.47 -1.28 -0.34 0.00 0.00 178.44 177.65 2emi h SER 29 N -0.83 0.50 0.96 1.25 0.87 -0.84 0.94 113.55 116.41 2emi h SER 29 Ca -0.01 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 2emi h SER 29 Cb 0.59 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.61 2emi h SER 29 CO 0.02 0.12 0.00 0.00 -0.53 0.00 0.00 176.83 176.44 2emi h MET 30 N 0.54 0.00 0.00 2.24 -0.00 -1.26 -3.20 114.93 113.25 2emi h MET 30 Ca 0.55 0.00 -0.18 0.00 -0.00 0.00 0.00 59.70 60.06 2emi h MET 30 Cb 0.94 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 32.52 2emi h MET 30 CO -0.45 0.00 -1.02 1.25 -0.00 0.00 0.00 176.91 176.69 2emi h HIS 31 N 0.00 0.00 -0.66 -0.10 -0.00 0.88 -3.35 115.15 111.93 2emi h HIS 31 Ca 0.00 0.00 0.19 0.00 -0.00 0.00 0.00 60.37 60.56 2emi h HIS 31 Cb 0.48 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 27.86 2emi h HIS 31 CO 0.00 1.35 1.03 1.96 -0.00 0.00 0.00 177.93 182.27 2emi h GLN 32 N -1.00 0.00 -0.87 5.26 4.20 -0.54 0.30 115.11 122.46 2emi h GLN 32 Ca -0.28 0.00 0.17 0.00 0.06 0.00 0.00 58.65 58.60 2emi h GLN 32 Cb 1.22 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 28.90 2emi h GLN 32 CO -0.17 0.00 0.44 0.07 -0.67 0.00 0.00 178.83 178.50 2emi h ARG 33 N 0.00 0.56 0.00 1.46 0.11 -1.69 0.40 114.38 115.21 2emi h ARG 33 Ca 0.31 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 60.36 2emi h ARG 33 Cb 2.37 -0.13 0.00 0.00 1.11 0.00 0.00 29.97 33.32 2emi h ARG 33 CO -0.00 0.37 0.37 -0.84 0.10 0.00 0.00 179.97 179.97 2emi h ILE 34 N 0.58 0.00 0.00 0.08 3.07 -0.66 0.25 117.51 120.83 2emi h ILE 34 Ca 0.49 0.00 -0.37 0.00 1.55 0.00 0.00 64.86 66.53 2emi h ILE 34 Cb 0.77 0.58 -0.07 0.00 -0.27 0.00 0.00 36.82 37.83 2emi h ILE 34 CO -0.40 0.00 -2.38 1.41 -1.05 0.00 0.00 178.15 175.73 2emi n HIS 35 N -2.76 0.09 -0.07 0.16 8.25 0.13 -4.46 115.22 116.56 2emi n HIS 35 Ca -0.02 0.03 -0.14 0.00 -0.26 0.00 0.00 57.72 57.33 2emi n HIS 35 Cb 0.41 -1.01 -0.06 0.00 1.12 0.00 0.00 29.99 30.45 2emi n HIS 35 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2emi h ARG 36 N 0.00 0.64 -0.52 -0.41 -0.00 -0.08 -3.50 114.38 110.51 2emi h ARG 36 Ca -0.54 -0.40 0.06 0.00 -0.50 0.00 0.00 59.98 58.59 2emi h ARG 36 Cb 2.11 0.04 -0.02 0.00 0.00 0.00 0.00 29.97 32.10 2emi h ARG 36 CO -0.01 1.02 -0.14 0.41 0.00 0.00 0.00 179.97 181.25 2emi n GLY 37 N 0.36 -2.09 3.16 0.04 0.00 0.58 -4.64 105.19 102.61 2emi n GLY 37 Ca -0.05 -1.44 -0.43 0.00 0.00 0.00 0.00 46.02 44.10 2emi n GLY 37 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2emi n GLU 38 N -2.76 3.81 -3.64 1.61 -0.58 -1.26 -4.97 120.64 112.85 2emi n GLU 38 Ca -0.01 -4.51 -0.15 0.00 -0.42 0.00 0.00 57.16 52.07 2emi n GLU 38 Cb 0.10 -2.51 -0.07 0.00 -0.57 0.00 0.00 31.44 28.39 2emi n GLU 38 CO 0.00 0.00 0.00 -1.59 -0.48 0.00 0.00 177.13 175.06 2emi s LYS 39 N -1.94 0.84 -0.96 3.49 -2.85 -1.26 -5.09 119.74 111.97 2emi s LYS 39 Ca 0.31 0.18 -0.24 0.00 -1.00 0.00 0.00 55.97 55.22 2emi s LYS 39 Cb -0.03 0.39 -0.06 0.00 -2.06 0.00 0.00 37.83 36.07 2emi s LYS 39 CO -0.01 -0.23 1.94 -1.25 0.10 0.00 0.00 175.35 175.90 2emi s PRO 40 N -0.98 2.55 0.05 1.78 0.04 -1.26 -4.92 135.00 132.25 2emi s PRO 40 Ca -0.10 -0.48 0.06 0.00 0.04 0.00 0.00 61.00 60.51 2emi s PRO 40 Cb -0.03 -5.10 -0.03 0.00 0.04 0.00 0.00 34.50 29.39 2emi s PRO 40 CO 0.06 -3.50 -0.16 0.45 0.04 0.00 0.00 177.00 173.89 2emi s SER 41 N 7.69 1.87 0.00 6.66 0.15 -1.26 -5.09 113.70 123.72 2emi s SER 41 Ca 0.70 -0.53 0.00 0.00 0.70 0.00 0.00 55.95 56.82 2emi s SER 41 Cb -0.05 -0.11 0.00 0.00 -1.71 0.00 0.00 66.02 64.15 2emi s SER 41 CO 0.02 0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.10 2emi n GLY 42 N 1.66 -0.64 3.70 9.45 0.00 -1.26 -4.90 105.19 113.20 2emi n GLY 42 Ca -0.19 -1.73 -0.42 0.00 0.00 0.00 0.00 46.02 43.68 2emi n GLY 42 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2emi s PRO 43 N -1.45 4.30 0.29 1.61 0.04 -1.26 -4.95 135.00 133.57 2emi s PRO 43 Ca 0.00 2.03 -0.29 0.00 0.04 0.00 0.00 61.00 62.78 2emi s PRO 43 Cb 0.00 -3.45 -0.14 0.00 0.04 0.00 0.00 34.50 30.96 2emi s PRO 43 CO 0.00 -0.52 1.16 0.45 0.04 0.00 0.00 177.00 178.12 2emi n SER 44 N 4.82 1.94 0.00 6.66 2.88 -1.26 -4.92 113.62 123.74 2emi n SER 44 Ca 0.13 1.18 0.00 0.00 -1.33 0.00 0.00 58.87 58.85 2emi n SER 44 Cb 0.43 -1.36 0.00 0.00 -0.75 0.00 0.00 64.21 62.53 2emi n SER 44 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2emi n SER 45 N 1.26 0.05 0.00 -3.46 2.88 -1.26 -5.26 113.62 107.82 2emi n SER 45 Ca 0.09 0.01 0.00 0.00 -1.33 0.00 0.00 58.87 57.63 2emi n SER 45 Cb 0.33 -0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.77 2emi n SER 45 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42