#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 5.41 -0.03 1.61 0.01 -1.26 -5.12 113.70 114.32 2emi s SER 2 Ca 0.00 0.05 -0.07 0.00 1.31 0.00 0.00 55.95 57.24 2emi s SER 2 Cb 0.00 -1.47 0.01 0.00 0.21 0.00 0.00 66.02 64.77 2emi s SER 2 CO 0.00 0.25 0.17 -0.44 0.41 0.00 0.00 173.24 173.63 2emi s SER 3 N -1.80 -0.08 0.00 2.44 0.01 -1.26 -5.01 113.70 107.99 2emi s SER 3 Ca 0.23 0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.56 2emi s SER 3 Cb -0.12 0.29 0.00 0.00 0.21 0.00 0.00 66.02 66.40 2emi s SER 3 CO 0.14 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.17 2emi n GLY 4 N 2.16 0.40 2.58 3.44 0.00 -1.26 -5.08 105.19 107.43 2emi n GLY 4 Ca -0.18 -0.05 -0.10 0.00 0.00 0.00 0.00 46.02 45.69 2emi n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2emi n SER 5 N 0.00 2.62 -4.30 1.61 3.41 -1.26 -5.08 113.62 110.62 2emi n SER 5 Ca 0.00 -2.70 -0.16 0.00 -0.26 0.00 0.00 58.87 55.75 2emi n SER 5 Cb 0.00 -0.45 -0.10 0.00 -0.26 0.00 0.00 64.21 63.39 2emi n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2emi s SER 6 N -3.61 1.17 0.12 4.04 1.04 -1.26 -5.02 113.70 110.18 2emi s SER 6 Ca 0.35 -1.34 0.00 0.00 0.48 0.00 0.00 55.95 55.44 2emi s SER 6 Cb 0.37 0.16 0.00 0.00 0.10 0.00 0.00 66.02 66.65 2emi s SER 6 CO -0.02 -0.70 0.00 0.61 0.98 0.00 0.00 173.24 174.11 2emi n GLY 7 N -0.41 -3.19 4.19 7.32 0.00 -1.26 -4.75 105.19 107.08 2emi n GLY 7 Ca -0.01 -1.14 -0.37 0.00 0.00 0.00 0.00 46.02 44.50 2emi n GLY 7 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2emi n THR 8 N -1.40 -0.12 -3.06 2.61 -2.24 -1.26 -4.89 114.28 103.91 2emi n THR 8 Ca 0.00 -0.06 -0.19 0.00 -2.27 0.00 0.00 64.05 61.52 2emi n THR 8 Cb 0.06 -0.50 0.05 0.00 -2.10 0.00 0.00 70.33 67.84 2emi n THR 8 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2emi s GLY 9 N -3.16 1.78 -0.15 3.38 0.00 -1.26 -5.12 107.32 102.79 2emi s GLY 9 Ca 0.64 -2.05 0.01 0.00 0.00 0.00 0.00 44.72 43.32 2emi s GLY 9 CO 0.91 -1.67 -0.17 1.85 0.00 0.00 0.00 173.10 174.02 2emi s GLU 10 N -4.61 2.58 0.26 2.90 2.56 -1.26 -5.12 118.70 116.01 2emi s GLU 10 Ca 0.60 -0.68 -0.29 0.00 0.00 0.00 0.00 54.97 54.60 2emi s GLU 10 Cb -0.06 -2.24 -0.09 0.00 2.00 0.00 0.00 34.13 33.73 2emi s GLU 10 CO 0.37 -0.17 0.94 -0.98 -0.56 0.00 0.00 175.26 174.87 2emi s ARG 11 N 1.25 4.80 0.01 4.30 1.70 -1.26 -5.03 118.95 124.73 2emi s ARG 11 Ca 0.01 1.46 -0.28 0.00 -0.47 0.00 0.00 55.73 56.45 2emi s ARG 11 Cb -0.14 -3.18 0.10 0.00 -0.57 0.00 0.00 34.95 31.16 2emi s ARG 11 CO -0.09 0.47 1.25 -3.38 -1.08 0.00 0.00 175.30 172.47 2emi s HIS 12 N -1.27 -0.00 -0.43 5.89 -3.43 -1.26 -5.04 115.29 109.75 2emi s HIS 12 Ca 0.43 -0.15 -0.14 0.00 -0.80 0.00 0.00 55.06 54.39 2emi s HIS 12 Cb -0.25 0.57 0.05 0.00 -1.43 0.00 0.00 32.58 31.52 2emi s HIS 12 CO 0.31 -0.37 0.33 0.71 -2.00 0.00 0.00 174.74 173.72 2emi s TYR 13 N -2.24 3.25 -0.17 0.38 1.51 -1.15 -4.95 117.35 113.98 2emi s TYR 13 Ca 0.22 -0.83 -0.12 0.00 -1.01 0.00 0.00 57.07 55.33 2emi s TYR 13 Cb 0.01 -2.85 -0.05 0.00 -0.11 0.00 0.00 41.96 38.97 2emi s TYR 13 CO -0.01 -0.70 0.23 -2.00 -1.11 0.00 0.00 175.55 171.96 2emi s GLU 14 N 1.64 4.20 -0.04 -0.62 2.12 -1.26 -1.90 118.70 122.84 2emi s GLU 14 Ca 0.04 -0.02 -0.31 0.00 0.36 0.00 0.00 54.97 55.04 2emi s GLU 14 Cb -0.22 -3.41 -0.10 0.00 0.26 0.00 0.00 34.13 30.67 2emi s GLU 14 CO 0.08 0.29 1.98 0.00 -0.54 0.00 0.00 175.26 177.06 2emi n SER 16 N 7.74 4.63 0.00 0.00 2.88 -1.26 -2.63 113.62 124.97 2emi n SER 16 Ca 0.22 -2.51 0.00 0.00 -1.33 0.00 0.00 58.87 55.25 2emi n SER 16 Cb 0.37 -0.86 0.00 0.00 -0.75 0.00 0.00 64.21 62.97 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 0.66 0.00 -0.00 -1.46 -0.58 -1.26 -4.98 120.64 113.02 2emi n GLU 17 Ca 0.12 0.00 -0.01 0.00 -0.42 0.00 0.00 57.16 56.85 2emi n GLU 17 Cb 0.62 -0.41 -0.00 0.00 -0.57 0.00 0.00 31.44 31.08 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 3.02 0.28 3.13 0.00 0.00 -1.08 -5.07 105.19 105.48 2emi n GLY 19 Ca -0.02 -0.65 -0.28 0.00 0.00 0.00 0.00 46.02 45.08 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 2.15 0.08 1.61 2.20 -1.26 -4.89 119.74 119.64 2emi s LYS 20 Ca 0.00 -0.64 -0.17 0.00 -0.36 0.00 0.00 55.97 54.80 2emi s LYS 20 Cb 0.00 -1.75 -0.07 0.00 -1.51 0.00 0.00 37.83 34.51 2emi s LYS 20 CO 0.00 0.16 0.54 0.00 -0.36 0.00 0.00 175.35 175.70 2emi s ALA 21 N 0.32 3.60 -0.01 3.13 0.00 -1.26 -0.27 121.76 127.26 2emi s ALA 21 Ca -0.12 -0.04 0.02 0.00 0.00 0.00 0.00 51.96 51.82 2emi s ALA 21 Cb -0.15 -2.58 -0.00 0.00 0.00 0.00 0.00 23.12 20.40 2emi s ALA 21 CO 0.05 0.42 -0.07 -0.06 0.00 0.00 0.00 175.76 176.10 2emi s PHE 22 N -1.20 0.69 0.40 0.00 0.08 -0.80 -4.99 117.98 112.16 2emi s PHE 22 Ca 0.31 -0.14 0.07 0.00 0.12 0.00 0.00 56.93 57.29 2emi s PHE 22 Cb -0.18 -0.48 0.83 0.00 -0.57 0.00 0.00 43.02 42.63 2emi s PHE 22 CO 0.18 -0.04 2.02 0.97 -0.10 0.00 0.00 175.22 178.25 2emi h ILE 23 N 5.18 1.12 -1.74 0.64 6.09 -1.96 -3.03 117.51 123.81 2emi h ILE 23 Ca -0.31 -0.32 -0.62 0.00 -1.37 0.00 0.00 64.86 62.24 2emi h ILE 23 Cb 1.18 0.65 -0.13 0.00 0.47 0.00 0.00 36.82 38.99 2emi h ILE 23 CO 0.49 0.13 -0.62 -1.10 -3.07 0.00 0.00 178.15 173.99 2emi s GLN 24 N -5.33 1.93 -0.14 2.19 -1.52 -1.26 -4.81 119.66 110.72 2emi s GLN 24 Ca -0.08 -2.04 -0.23 0.00 -1.95 0.00 0.00 55.36 51.06 2emi s GLN 24 Cb 0.17 -1.68 -0.20 0.00 -0.22 0.00 0.00 33.01 31.08 2emi s GLN 24 CO 0.73 0.01 0.55 -0.22 -0.25 0.00 0.00 175.29 176.11 2emi h LYS 25 N 1.83 0.00 -0.75 2.91 3.64 -1.94 -3.34 116.57 118.93 2emi h LYS 25 Ca -0.43 0.00 0.12 0.00 -1.27 0.00 0.00 60.65 59.07 2emi h LYS 25 Cb 1.24 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.98 2emi h LYS 25 CO 0.77 0.80 0.34 1.03 -2.27 0.00 0.00 179.45 180.12 2emi h SER 26 N -1.00 0.39 -0.97 4.20 0.87 -1.99 -0.61 113.55 114.44 2emi h SER 26 Ca -0.04 0.09 0.22 0.00 -1.23 0.00 0.00 61.79 60.83 2emi h SER 26 Cb 0.85 0.03 -0.12 0.00 -0.44 0.00 0.00 62.40 62.73 2emi h SER 26 CO -0.03 0.18 0.55 0.74 -0.53 0.00 0.00 176.83 177.74 2emi h THR 27 N 0.53 0.57 -0.09 2.23 2.02 -1.99 -0.56 112.91 115.61 2emi h THR 27 Ca 0.39 -0.20 -0.02 0.00 0.77 0.00 0.00 66.41 67.36 2emi h THR 27 Cb 0.52 -0.06 -0.00 0.00 -1.74 0.00 0.00 68.15 66.87 2emi h THR 27 CO -0.34 0.11 -0.02 0.25 0.37 0.00 0.00 175.52 175.89 2emi h LEU 28 N 0.58 0.17 -1.03 2.58 5.85 -1.23 -3.03 115.31 119.20 2emi h LEU 28 Ca 0.60 -0.35 0.23 0.00 0.84 0.00 0.00 57.88 59.20 2emi h LEU 28 Cb 1.10 -0.05 -0.12 0.00 0.37 0.00 0.00 40.66 41.96 2emi h LEU 28 CO -0.46 0.48 0.60 0.28 -0.34 0.00 0.00 178.44 179.00 2emi h SER 29 N -0.15 0.69 0.20 1.25 0.02 -0.84 0.64 113.55 115.36 2emi h SER 29 Ca 0.02 0.12 -0.06 0.00 -0.84 0.00 0.00 61.79 61.04 2emi h SER 29 Cb 0.41 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 2emi h SER 29 CO 0.01 0.15 -0.24 0.24 -1.14 0.00 0.00 176.83 175.84 2emi h MET 30 N 0.62 0.08 0.00 3.45 2.86 -1.29 -3.14 114.93 117.51 2emi h MET 30 Ca 0.62 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 58.24 2emi h MET 30 Cb 1.16 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.81 2emi h MET 30 CO -0.44 0.33 -0.00 1.25 1.06 0.00 0.00 176.91 179.11 2emi h HIS 31 N 0.08 -0.00 -0.74 -0.22 -0.00 0.24 -3.27 115.15 111.24 2emi h HIS 31 Ca 0.01 -0.00 0.21 0.00 -0.00 0.00 0.00 60.37 60.60 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 0.92 1.07 1.96 -0.00 0.00 0.00 177.93 181.88 2emi h GLN 32 N -0.98 0.00 -0.95 5.26 4.20 -0.77 0.30 115.11 122.17 2emi h GLN 32 Ca -0.00 0.00 0.21 0.00 0.06 0.00 0.00 58.65 58.92 2emi h GLN 32 Cb 0.93 0.00 -0.11 0.00 0.30 0.00 0.00 27.48 28.59 2emi h GLN 32 CO 0.00 0.00 0.53 0.07 -0.67 0.00 0.00 178.83 178.76 2emi h ARG 33 N 0.00 0.58 -0.08 1.46 0.11 -1.61 0.59 114.38 115.43 2emi h ARG 33 Ca 0.35 -0.04 0.02 0.00 0.10 0.00 0.00 59.98 60.42 2emi h ARG 33 Cb 2.48 -0.13 -0.00 0.00 1.11 0.00 0.00 29.97 33.43 2emi h ARG 33 CO -0.00 0.39 0.09 -0.84 0.10 0.00 0.00 179.97 179.70 2emi h ILE 34 N 0.60 0.50 0.12 0.08 3.07 -0.64 -1.20 117.51 120.03 2emi h ILE 34 Ca 0.58 0.00 -0.30 0.00 1.55 0.00 0.00 64.86 66.69 2emi h ILE 34 Cb 1.00 0.93 -0.00 0.00 -0.27 0.00 0.00 36.82 38.48 2emi h ILE 34 CO -0.44 0.00 -1.44 0.45 -1.05 0.00 0.00 178.15 175.67 2emi h HIS 35 N 0.00 0.46 -3.57 0.16 3.86 -0.00 -3.41 115.15 112.65 2emi h HIS 35 Ca 0.04 -0.34 -0.73 0.00 -1.16 0.00 0.00 60.37 58.18 2emi h HIS 35 Cb 0.22 -0.02 -0.31 0.00 1.06 0.00 0.00 27.41 28.36 2emi h HIS 35 CO 0.00 1.34 -0.24 -0.98 0.86 0.00 0.00 177.93 178.92 2emi s ARG 36 N -2.63 2.85 0.00 2.45 1.70 -0.45 -5.01 118.95 117.85 2emi s ARG 36 Ca -0.07 -2.33 0.00 0.00 -0.47 0.00 0.00 55.73 52.86 2emi s ARG 36 Cb 0.07 -3.98 0.00 0.00 -0.57 0.00 0.00 34.95 30.47 2emi s ARG 36 CO 0.86 -1.21 0.00 0.41 -1.08 0.00 0.00 175.30 174.28 2emi n GLY 37 N 3.97 5.41 3.23 3.88 0.00 -1.25 -4.79 105.19 115.64 2emi n GLY 37 Ca 0.06 -1.28 -0.35 0.00 0.00 0.00 0.00 46.02 44.44 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 0.00 -0.04 -3.70 1.61 -0.58 -1.26 -4.95 120.64 111.71 2emi n GLU 38 Ca 0.00 0.01 -0.35 0.00 -0.42 0.00 0.00 57.16 56.40 2emi n GLU 38 Cb 0.00 -1.40 -0.05 0.00 -0.57 0.00 0.00 31.44 29.42 2emi n GLU 38 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2emi s LYS 39 N -2.53 3.64 0.43 3.49 1.02 -1.26 -4.99 119.74 119.55 2emi s LYS 39 Ca 0.51 0.02 0.30 0.00 0.02 0.00 0.00 55.97 56.82 2emi s LYS 39 Cb -0.25 -3.08 1.24 0.00 -0.52 0.00 0.00 37.83 35.22 2emi s LYS 39 CO 0.72 0.64 1.88 -1.00 -0.92 0.00 0.00 175.35 176.68 2emi h PRO 40 N 4.06 0.00 -3.36 -1.68 0.13 -1.96 -3.36 132.00 125.83 2emi h PRO 40 Ca -0.50 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 63.95 2emi h PRO 40 Cb 1.20 0.00 -0.37 0.00 0.13 0.00 0.00 31.00 31.96 2emi h PRO 40 CO 0.65 0.00 -0.33 -1.12 -0.23 0.00 0.00 178.00 176.97 2emi s SER 41 N -5.08 5.35 0.00 1.44 0.01 -1.26 -4.82 113.70 109.34 2emi s SER 41 Ca 0.02 -3.41 0.00 0.00 1.31 0.00 0.00 55.95 53.88 2emi s SER 41 Cb 0.09 -1.81 0.00 0.00 0.21 0.00 0.00 66.02 64.51 2emi s SER 41 CO 0.48 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.51 2emi n GLY 42 N 2.70 -2.17 3.02 3.44 0.00 -1.26 -5.16 105.19 105.77 2emi n GLY 42 Ca 0.15 0.73 -0.26 0.00 0.00 0.00 0.00 46.02 46.64 2emi n GLY 42 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2emi n PRO 43 N 0.00 -2.87 -2.26 1.61 -0.04 -1.26 -5.02 135.00 125.17 2emi n PRO 43 Ca 0.00 -1.51 -0.33 0.00 -0.04 0.00 0.00 63.50 61.62 2emi n PRO 43 Cb 0.00 -1.41 -0.01 0.00 -0.04 0.00 0.00 33.50 32.03 2emi n PRO 43 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2emi s SER 44 N -4.04 6.11 0.01 3.54 0.15 -1.26 -5.03 113.70 113.17 2emi s SER 44 Ca 0.61 1.80 -0.22 0.00 0.70 0.00 0.00 55.95 58.84 2emi s SER 44 Cb -0.06 -2.54 -0.05 0.00 -1.71 0.00 0.00 66.02 61.66 2emi s SER 44 CO 0.47 -0.94 0.65 -0.55 1.20 0.00 0.00 173.24 174.06 2emi s SER 45 N -2.61 7.04 0.00 5.45 0.15 -1.26 -5.14 113.70 117.34 2emi s SER 45 Ca 0.64 1.24 0.00 0.00 0.70 0.00 0.00 55.95 58.53 2emi s SER 45 Cb -0.15 -2.40 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 2emi s SER 45 CO 0.31 0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.43