#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2emi n SER 2 N 0.00 7.03 -4.54 1.61 7.64 -1.26 -4.94 113.62 119.15 2emi n SER 2 Ca 0.00 -3.42 -0.32 0.00 1.01 0.00 0.00 58.87 56.14 2emi n SER 2 Cb 0.00 -1.05 -0.06 0.00 -1.01 0.00 0.00 64.21 62.09 2emi n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2emi n SER 3 N -0.13 1.79 0.00 6.43 7.64 -1.26 -4.54 113.62 123.55 2emi n SER 3 Ca 0.47 -0.58 0.00 0.00 1.01 0.00 0.00 58.87 59.77 2emi n SER 3 Cb 0.58 -1.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.31 2emi n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2emi n GLY 4 N 6.20 -1.81 0.38 0.23 0.00 -1.26 -5.04 105.19 103.89 2emi n GLY 4 Ca 0.44 0.85 -0.14 0.00 0.00 0.00 0.00 46.02 47.17 2emi n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2emi n SER 5 N 0.00 1.54 -0.09 1.61 7.64 -1.26 -4.88 113.62 118.18 2emi n SER 5 Ca 0.00 0.26 -0.16 0.00 1.01 0.00 0.00 58.87 59.98 2emi n SER 5 Cb 0.00 -0.60 -0.08 0.00 -1.01 0.00 0.00 64.21 62.52 2emi n SER 5 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2emi n SER 6 N -4.03 2.09 0.00 6.43 3.41 -1.26 -5.02 113.62 115.23 2emi n SER 6 Ca -0.25 0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.40 2emi n SER 6 Cb 0.58 -0.40 0.00 0.00 -0.26 0.00 0.00 64.21 64.14 2emi n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2emi n GLY 7 N 2.30 2.28 3.49 5.00 0.00 -1.26 -4.46 105.19 112.54 2emi n GLY 7 Ca -0.34 0.23 -0.63 0.00 0.00 0.00 0.00 46.02 45.28 2emi n GLY 7 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2emi n THR 8 N 0.00 0.01 -1.77 2.61 -1.04 -1.26 -4.80 114.28 108.03 2emi n THR 8 Ca 0.00 -0.01 -0.41 0.00 -2.04 0.00 0.00 64.05 61.59 2emi n THR 8 Cb 0.00 -0.53 -0.02 0.00 -1.82 0.00 0.00 70.33 67.96 2emi n THR 8 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2emi s GLY 9 N 4.63 2.10 0.26 3.41 0.00 -1.26 -4.94 107.32 111.51 2emi s GLY 9 Ca 1.13 1.58 -0.29 0.00 0.00 0.00 0.00 44.72 47.13 2emi s GLY 9 CO 0.73 2.56 1.26 -1.83 0.00 0.00 0.00 173.10 175.82 2emi s GLU 10 N -0.49 4.43 0.06 2.90 1.03 -1.26 -4.92 118.70 120.45 2emi s GLU 10 Ca 0.63 2.05 0.00 0.00 0.03 0.00 0.00 54.97 57.69 2emi s GLU 10 Cb -0.48 -3.15 0.00 0.00 -0.80 0.00 0.00 34.13 29.70 2emi s GLU 10 CO 0.48 -0.13 0.00 0.54 -1.33 0.00 0.00 175.26 174.82 2emi n ARG 11 N 1.70 0.00 -2.92 -4.83 5.12 -1.26 -5.06 116.66 109.42 2emi n ARG 11 Ca 0.02 0.00 -0.40 0.00 -1.93 0.00 0.00 57.85 55.55 2emi n ARG 11 Cb 0.43 -0.35 -0.06 0.00 -1.16 0.00 0.00 32.46 31.32 2emi n ARG 11 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 2emi s HIS 12 N -2.00 3.87 -1.16 -1.55 2.46 -1.26 -4.96 115.29 110.68 2emi s HIS 12 Ca 0.00 1.66 -0.22 0.00 0.47 0.00 0.00 55.06 56.97 2emi s HIS 12 Cb 0.00 -2.85 -0.03 0.00 -0.13 0.00 0.00 32.58 29.58 2emi s HIS 12 CO 0.00 0.41 1.84 0.71 -2.47 0.00 0.00 174.74 175.23 2emi s TYR 13 N -0.73 2.20 0.13 3.88 2.02 -1.22 -4.94 117.35 118.68 2emi s TYR 13 Ca 0.39 -0.18 -0.04 0.00 -0.37 0.00 0.00 57.07 56.87 2emi s TYR 13 Cb -0.23 -4.27 -0.05 0.00 -0.40 0.00 0.00 41.96 37.01 2emi s TYR 13 CO 0.27 -1.51 0.35 -1.21 -1.57 0.00 0.00 175.55 171.88 2emi s GLU 14 N 5.83 3.59 -0.22 -0.62 2.02 -1.26 -2.20 118.70 125.84 2emi s GLU 14 Ca 0.63 -0.14 -0.29 0.00 0.02 0.00 0.00 54.97 55.18 2emi s GLU 14 Cb -0.00 -2.89 -0.00 0.00 0.10 0.00 0.00 34.13 31.34 2emi s GLU 14 CO 0.08 0.49 1.23 0.00 0.02 0.00 0.00 175.26 177.08 2emi n SER 16 N 6.86 4.08 0.01 0.00 2.88 -1.26 -2.95 113.62 123.24 2emi n SER 16 Ca 0.14 -2.66 0.00 0.00 -1.33 0.00 0.00 58.87 55.02 2emi n SER 16 Cb 0.46 -0.75 0.00 0.00 -0.75 0.00 0.00 64.21 63.17 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 0.12 0.00 -0.07 -1.46 1.02 -1.26 -4.96 120.64 114.03 2emi n GLU 17 Ca 0.22 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.21 2emi n GLU 17 Cb 0.82 -0.43 -0.05 0.00 -0.02 0.00 0.00 31.44 31.76 2emi n GLU 17 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2emi n GLY 19 N 2.13 0.41 3.92 0.00 0.00 -1.15 -5.10 105.19 105.40 2emi n GLY 19 Ca -0.26 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.56 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 2.72 0.10 1.61 2.20 -1.25 -4.90 119.74 120.22 2emi s LYS 20 Ca 0.00 -1.35 0.06 0.00 -0.36 0.00 0.00 55.97 54.32 2emi s LYS 20 Cb 0.00 -2.55 -0.03 0.00 -1.51 0.00 0.00 37.83 33.74 2emi s LYS 20 CO 0.00 -0.12 -0.15 0.00 -0.36 0.00 0.00 175.35 174.71 2emi s ALA 21 N -2.37 1.43 -0.02 3.13 0.00 -1.26 -0.29 121.76 122.38 2emi s ALA 21 Ca 0.48 -1.18 -0.11 0.00 0.00 0.00 0.00 51.96 51.15 2emi s ALA 21 Cb -0.06 -0.11 0.01 0.00 0.00 0.00 0.00 23.12 22.96 2emi s ALA 21 CO 0.29 0.17 0.23 -0.06 0.00 0.00 0.00 175.76 176.39 2emi s PHE 22 N -1.67 -0.10 -0.06 0.00 0.40 -0.93 -4.96 117.98 110.66 2emi s PHE 22 Ca 0.05 0.15 -0.24 0.00 -0.60 0.00 0.00 56.93 56.28 2emi s PHE 22 Cb -0.08 0.04 -0.26 0.00 0.51 0.00 0.00 43.02 43.23 2emi s PHE 22 CO 0.03 -0.32 0.96 0.97 0.70 0.00 0.00 175.22 177.56 2emi h ILE 23 N 4.12 1.57 -3.04 0.64 -0.00 -1.98 -3.24 117.51 115.57 2emi h ILE 23 Ca -0.30 -2.18 -0.63 0.00 -0.00 0.00 0.00 64.86 61.75 2emi h ILE 23 Cb 1.19 2.96 -0.07 0.00 -0.00 0.00 0.00 36.82 40.90 2emi h ILE 23 CO 0.40 0.60 -0.55 -1.10 -0.00 0.00 0.00 178.15 177.50 2emi s GLN 24 N -2.80 3.17 0.11 2.19 -0.21 -1.26 -4.76 119.66 116.10 2emi s GLN 24 Ca -0.15 -0.55 -0.19 0.00 0.02 0.00 0.00 55.36 54.48 2emi s GLN 24 Cb 0.01 -2.89 -0.06 0.00 1.00 0.00 0.00 33.01 31.06 2emi s GLN 24 CO 0.77 0.59 1.71 -0.22 -2.12 0.00 0.00 175.29 176.02 2emi h LYS 25 N 3.23 0.34 -0.31 2.91 1.63 -1.93 -2.97 116.57 119.47 2emi h LYS 25 Ca -0.46 -0.04 0.01 0.00 -0.85 0.00 0.00 60.65 59.31 2emi h LYS 25 Cb 1.16 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 32.71 2emi h LYS 25 CO 0.71 0.31 0.19 0.77 -3.45 0.00 0.00 179.45 177.98 2emi h SER 26 N 0.28 0.31 -1.05 4.20 0.02 -2.00 -2.25 113.55 113.06 2emi h SER 26 Ca 0.09 0.00 0.30 0.00 -0.84 0.00 0.00 61.79 61.33 2emi h SER 26 Cb 0.07 -0.06 -0.13 0.00 0.14 0.00 0.00 62.40 62.42 2emi h SER 26 CO -0.01 0.22 0.63 0.74 -1.14 0.00 0.00 176.83 177.27 2emi h THR 27 N 0.38 0.41 -0.20 -2.27 2.02 -1.94 0.18 112.91 111.49 2emi h THR 27 Ca 0.12 -0.14 -0.07 0.00 0.77 0.00 0.00 66.41 67.10 2emi h THR 27 Cb -0.01 -0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 66.37 2emi h THR 27 CO -0.05 0.07 -0.14 0.25 0.37 0.00 0.00 175.52 176.02 2emi h LEU 28 N 0.40 0.47 -0.86 2.58 5.85 -1.32 -3.14 115.31 119.30 2emi h LEU 28 Ca 0.68 -0.44 0.15 0.00 0.84 0.00 0.00 57.88 59.12 2emi h LEU 28 Cb 1.59 -0.13 -0.10 0.00 0.37 0.00 0.00 40.66 42.39 2emi h LEU 28 CO -0.47 0.81 0.43 -1.28 -0.34 0.00 0.00 178.44 177.59 2emi h SER 29 N 0.13 0.51 -0.17 1.25 0.87 -0.44 0.39 113.55 116.09 2emi h SER 29 Ca 0.04 0.10 0.05 0.00 -1.23 0.00 0.00 61.79 60.75 2emi h SER 29 Cb 0.65 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.62 2emi h SER 29 CO 0.04 0.20 0.13 0.24 -0.53 0.00 0.00 176.83 176.90 2emi h MET 30 N 0.60 0.00 0.03 2.24 2.86 -1.35 -2.79 114.93 116.52 2emi h MET 30 Ca 0.47 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.90 2emi h MET 30 Cb 0.70 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.34 2emi h MET 30 CO -0.38 0.00 -1.13 1.25 1.06 0.00 0.00 176.91 177.71 2emi h HIS 31 N 0.00 0.11 -1.04 -0.22 -0.00 -0.44 -3.35 115.15 110.21 2emi h HIS 31 Ca 0.08 -0.08 0.30 0.00 -0.00 0.00 0.00 60.37 60.67 2emi h HIS 31 Cb 0.33 -0.00 -0.04 0.00 -0.00 0.00 0.00 27.41 27.70 2emi h HIS 31 CO 0.00 1.44 1.21 1.04 -0.00 0.00 0.00 177.93 181.63 2emi n GLN 32 N -4.31 0.01 -0.21 5.26 6.02 0.68 0.55 117.38 125.38 2emi n GLN 32 Ca -0.27 1.01 0.01 0.00 -0.01 0.00 0.00 57.00 57.73 2emi n GLN 32 Cb 0.71 -2.51 0.12 0.00 1.02 0.00 0.00 30.24 29.58 2emi n GLN 32 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 2emi h ARG 33 N 0.00 0.40 -0.38 -1.09 0.11 -1.67 0.59 114.38 112.34 2emi h ARG 33 Ca 0.49 -0.02 0.11 0.00 0.10 0.00 0.00 59.98 60.66 2emi h ARG 33 Cb 2.91 -0.09 -0.02 0.00 1.11 0.00 0.00 29.97 33.89 2emi h ARG 33 CO -0.01 0.27 0.80 -0.84 0.10 0.00 0.00 179.97 180.29 2emi h ILE 34 N 0.41 0.08 0.07 0.08 3.07 -0.16 0.81 117.51 121.87 2emi h ILE 34 Ca 0.32 0.00 -0.35 0.00 1.55 0.00 0.00 64.86 66.38 2emi h ILE 34 Cb 0.41 0.29 -0.03 0.00 -0.27 0.00 0.00 36.82 37.22 2emi h ILE 34 CO -0.32 0.00 -1.99 1.41 -1.05 0.00 0.00 178.15 176.20 2emi n HIS 35 N -3.05 1.01 -2.73 0.16 8.25 0.18 -4.63 115.22 114.42 2emi n HIS 35 Ca 0.08 0.25 -0.43 0.00 -0.26 0.00 0.00 57.72 57.36 2emi n HIS 35 Cb 0.93 -1.15 -0.01 0.00 1.12 0.00 0.00 29.99 30.89 2emi n HIS 35 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2emi s ARG 36 N -2.56 3.94 0.00 -0.41 0.52 0.28 -4.92 118.95 115.80 2emi s ARG 36 Ca -0.18 -2.06 0.00 0.00 -0.52 0.00 0.00 55.73 52.96 2emi s ARG 36 Cb 0.07 -5.30 0.00 0.00 0.52 0.00 0.00 34.95 30.24 2emi s ARG 36 CO 0.77 -2.05 0.00 0.41 0.02 0.00 0.00 175.30 174.46 2emi n GLY 37 N 5.16 7.45 3.57 -3.53 0.00 -1.26 -4.91 105.19 111.68 2emi n GLY 37 Ca 0.41 -1.95 -0.17 0.00 0.00 0.00 0.00 46.02 44.31 2emi n GLY 37 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2emi s GLU 38 N 1.03 1.51 0.01 1.61 2.12 -1.26 -4.84 118.70 118.88 2emi s GLU 38 Ca 0.00 -0.36 -0.02 0.00 0.36 0.00 0.00 54.97 54.95 2emi s GLU 38 Cb 0.00 -4.99 -0.01 0.00 0.26 0.00 0.00 34.13 29.39 2emi s GLU 38 CO 0.00 -5.00 0.01 0.15 -0.54 0.00 0.00 175.26 169.88 2emi s LYS 39 N 8.18 0.32 0.01 4.30 -0.14 -1.26 -5.13 119.74 126.02 2emi s LYS 39 Ca 0.81 -0.52 -0.30 0.00 -1.36 0.00 0.00 55.97 54.60 2emi s LYS 39 Cb -0.06 0.12 -0.06 0.00 -1.68 0.00 0.00 37.83 36.15 2emi s LYS 39 CO 0.15 -0.06 1.44 -1.25 -0.76 0.00 0.00 175.35 174.87 2emi s PRO 40 N -1.33 4.26 -0.03 -1.68 0.04 -1.26 -5.02 135.00 129.99 2emi s PRO 40 Ca -0.15 2.02 -0.06 0.00 0.04 0.00 0.00 61.00 62.86 2emi s PRO 40 Cb -0.09 -3.59 0.01 0.00 0.04 0.00 0.00 34.50 30.86 2emi s PRO 40 CO -0.00 -0.61 0.13 0.45 0.04 0.00 0.00 177.00 177.01 2emi s SER 41 N 2.01 -0.05 0.41 6.66 0.15 -1.26 -5.16 113.70 116.46 2emi s SER 41 Ca 0.65 0.03 -0.14 0.00 0.70 0.00 0.00 55.95 57.19 2emi s SER 41 Cb -0.33 0.25 -0.08 0.00 -1.71 0.00 0.00 66.02 64.15 2emi s SER 41 CO 0.27 -0.21 0.82 -0.83 1.20 0.00 0.00 173.24 174.50 2emi s GLY 42 N -0.66 2.11 0.00 9.45 0.00 -1.26 -4.94 107.32 112.01 2emi s GLY 42 Ca -0.07 -0.01 0.15 0.00 0.00 0.00 0.00 44.72 44.79 2emi s GLY 42 CO 0.01 0.21 1.36 -1.55 0.00 0.00 0.00 173.10 173.13 2emi n PRO 43 N -1.07 0.42 -1.90 2.90 -0.04 -1.26 -4.66 135.00 129.39 2emi n PRO 43 Ca 0.04 0.04 -0.28 0.00 -0.04 0.00 0.00 63.50 63.26 2emi n PRO 43 Cb 0.54 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.45 2emi n PRO 43 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2emi s SER 44 N -2.14 4.84 -0.05 3.54 1.04 -1.26 -4.67 113.70 115.01 2emi s SER 44 Ca 0.21 -0.10 -0.09 0.00 0.48 0.00 0.00 55.95 56.45 2emi s SER 44 Cb 0.11 -2.54 -0.03 0.00 0.10 0.00 0.00 66.02 63.65 2emi s SER 44 CO 0.19 -2.90 -0.18 -0.24 0.98 0.00 0.00 173.24 171.09 2emi n SER 45 N 14.84 1.50 0.00 7.02 2.88 -1.26 -5.24 113.62 133.35 2emi n SER 45 Ca 0.36 0.23 0.00 0.00 -1.33 0.00 0.00 58.87 58.14 2emi n SER 45 Cb 0.48 -0.54 0.00 0.00 -0.75 0.00 0.00 64.21 63.40 2emi n SER 45 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42