#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 4.01 0.01 1.61 0.15 -1.26 -5.10 113.70 113.11 2emi s SER 2 Ca 0.00 -1.22 -0.23 0.00 0.70 0.00 0.00 55.95 55.20 2emi s SER 2 Cb 0.00 -1.31 0.05 0.00 -1.71 0.00 0.00 66.02 63.05 2emi s SER 2 CO 0.00 -0.21 0.51 -0.44 1.20 0.00 0.00 173.24 174.30 2emi s SER 3 N 1.30 -0.43 0.00 5.45 0.01 -1.26 -5.05 113.70 113.71 2emi s SER 3 Ca -0.06 0.28 0.00 0.00 1.31 0.00 0.00 55.95 57.48 2emi s SER 3 Cb -0.19 0.46 0.00 0.00 0.21 0.00 0.00 66.02 66.50 2emi s SER 3 CO -0.06 -0.63 0.00 0.61 0.41 0.00 0.00 173.24 173.57 2emi n GLY 4 N 0.72 1.94 3.64 3.44 0.00 -1.26 -5.05 105.19 108.63 2emi n GLY 4 Ca -0.19 -0.73 -0.10 0.00 0.00 0.00 0.00 46.02 45.00 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 -4.00 0.13 -0.16 1.61 0.15 -1.26 -5.18 113.70 104.98 2emi s SER 5 Ca 0.00 -1.05 -0.29 0.00 0.70 0.00 0.00 55.95 55.31 2emi s SER 5 Cb 0.00 0.67 0.10 0.00 -1.71 0.00 0.00 66.02 65.08 2emi s SER 5 CO 0.00 -1.30 0.85 -0.55 1.20 0.00 0.00 173.24 173.44 2emi s SER 6 N -3.06 -0.55 0.00 5.45 0.15 -1.26 -5.15 113.70 109.28 2emi s SER 6 Ca 0.21 0.77 0.00 0.00 0.70 0.00 0.00 55.95 57.63 2emi s SER 6 Cb -0.02 0.68 0.00 0.00 -1.71 0.00 0.00 66.02 64.97 2emi s SER 6 CO 0.12 -0.38 0.00 0.61 1.20 0.00 0.00 173.24 174.78 2emi n GLY 7 N 1.38 3.30 3.77 9.45 0.00 -1.26 -5.12 105.19 116.71 2emi n GLY 7 Ca -0.14 -0.79 -0.31 0.00 0.00 0.00 0.00 46.02 44.78 2emi n GLY 7 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2emi s THR 8 N 0.00 3.39 0.00 2.61 -1.32 -1.26 -5.05 115.64 114.01 2emi s THR 8 Ca 0.00 0.50 0.00 0.00 -1.21 0.00 0.00 61.69 60.98 2emi s THR 8 Cb 0.00 -3.01 0.00 0.00 -1.51 0.00 0.00 72.50 67.98 2emi s THR 8 CO 0.00 -0.55 0.00 0.61 -2.21 0.00 0.00 174.62 172.47 2emi n GLY 9 N -1.14 1.22 4.37 6.08 0.00 -1.26 -4.92 105.19 109.54 2emi n GLY 9 Ca 0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 2emi n GLY 9 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2emi n GLU 10 N 0.00 -0.79 -0.07 1.61 2.13 -1.26 -4.82 120.64 117.44 2emi n GLU 10 Ca 0.00 0.12 -0.05 0.00 0.66 0.00 0.00 57.16 57.89 2emi n GLU 10 Cb 0.00 -4.20 -0.02 0.00 0.27 0.00 0.00 31.44 27.50 2emi n GLU 10 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 2emi n ARG 11 N -4.07 0.44 -3.39 5.31 3.00 -1.26 -5.00 116.66 111.68 2emi n ARG 11 Ca -0.01 0.48 -0.19 0.00 -0.00 0.00 0.00 57.85 58.12 2emi n ARG 11 Cb 0.50 -1.62 -0.01 0.00 0.00 0.00 0.00 32.46 31.33 2emi n ARG 11 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.63 174.25 2emi s HIS 12 N -2.26 2.87 0.10 -0.14 -3.43 -1.26 -5.10 115.29 106.06 2emi s HIS 12 Ca -0.16 -0.37 -0.25 0.00 -0.80 0.00 0.00 55.06 53.48 2emi s HIS 12 Cb 0.02 -2.14 -0.06 0.00 -1.43 0.00 0.00 32.58 28.97 2emi s HIS 12 CO 0.23 -0.15 0.78 0.71 -2.00 0.00 0.00 174.74 174.32 2emi s TYR 13 N -2.34 3.81 0.01 0.38 1.51 -1.24 -5.01 117.35 114.47 2emi s TYR 13 Ca 0.49 1.56 0.02 0.00 -1.01 0.00 0.00 57.07 58.12 2emi s TYR 13 Cb -0.07 -2.81 -0.01 0.00 -0.11 0.00 0.00 41.96 38.96 2emi s TYR 13 CO 0.30 0.37 -0.06 -1.21 -1.11 0.00 0.00 175.55 173.84 2emi s GLU 14 N -0.48 0.42 -0.23 -0.62 2.02 -1.26 -1.76 118.70 116.79 2emi s GLU 14 Ca 0.38 -0.33 -0.29 0.00 0.02 0.00 0.00 54.97 54.75 2emi s GLU 14 Cb -0.22 -0.34 -0.00 0.00 0.10 0.00 0.00 34.13 33.67 2emi s GLU 14 CO 0.25 0.09 1.25 0.00 0.02 0.00 0.00 175.26 176.86 2emi n SER 16 N 7.00 6.05 0.00 0.00 7.64 -1.26 -2.83 113.62 130.22 2emi n SER 16 Ca 0.14 -2.87 0.00 0.00 1.01 0.00 0.00 58.87 57.15 2emi n SER 16 Cb 0.46 -1.06 0.00 0.00 -1.01 0.00 0.00 64.21 62.60 2emi n SER 16 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2emi n GLU 17 N 0.64 0.00 -0.01 1.43 -0.58 -1.26 -4.98 120.64 115.89 2emi n GLU 17 Ca 0.22 0.00 -0.01 0.00 -0.42 0.00 0.00 57.16 56.94 2emi n GLU 17 Cb 0.57 -0.52 -0.00 0.00 -0.57 0.00 0.00 31.44 30.91 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 2.99 0.17 3.56 0.00 0.00 -1.13 -5.10 105.19 105.68 2emi n GLY 19 Ca -0.02 -0.62 -0.26 0.00 0.00 0.00 0.00 46.02 45.12 2emi n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2emi s LYS 20 N 0.00 1.86 -0.01 1.61 1.02 -1.25 -4.93 119.74 118.03 2emi s LYS 20 Ca 0.00 -2.05 0.00 0.00 0.02 0.00 0.00 55.97 53.94 2emi s LYS 20 Cb 0.00 -1.36 0.01 0.00 -0.52 0.00 0.00 37.83 35.96 2emi s LYS 20 CO 0.00 -0.11 0.01 0.00 -0.92 0.00 0.00 175.35 174.34 2emi s ALA 21 N -2.92 0.05 0.02 5.17 0.00 -1.26 -0.99 121.76 121.82 2emi s ALA 21 Ca 0.35 0.14 0.04 0.00 0.00 0.00 0.00 51.96 52.49 2emi s ALA 21 Cb 0.09 -0.12 -0.02 0.00 0.00 0.00 0.00 23.12 23.08 2emi s ALA 21 CO 0.17 -0.05 -0.13 -0.06 0.00 0.00 0.00 175.76 175.69 2emi s PHE 22 N 0.51 1.15 0.14 0.00 0.40 -0.72 -5.01 117.98 114.44 2emi s PHE 22 Ca -0.04 -0.31 -0.13 0.00 -0.60 0.00 0.00 56.93 55.85 2emi s PHE 22 Cb -0.06 -0.70 -0.00 0.00 0.51 0.00 0.00 43.02 42.77 2emi s PHE 22 CO -0.01 0.01 1.57 0.97 0.70 0.00 0.00 175.22 178.46 2emi h ILE 23 N 4.61 1.27 -2.78 0.64 2.10 -2.01 -3.29 117.51 118.04 2emi h ILE 23 Ca -0.36 -1.14 -0.67 0.00 1.08 0.00 0.00 64.86 63.77 2emi h ILE 23 Cb 1.18 1.08 -0.08 0.00 -1.09 0.00 0.00 36.82 37.90 2emi h ILE 23 CO 0.45 0.39 -0.51 -1.10 -1.08 0.00 0.00 178.15 176.31 2emi s GLN 24 N -4.90 3.35 0.03 2.19 -0.21 -1.26 -4.81 119.66 114.04 2emi s GLN 24 Ca -0.12 -0.20 -0.31 0.00 0.02 0.00 0.00 55.36 54.75 2emi s GLN 24 Cb 0.11 -3.10 -0.17 0.00 1.00 0.00 0.00 33.01 30.84 2emi s GLN 24 CO 0.82 0.76 1.33 -0.22 -2.12 0.00 0.00 175.29 175.86 2emi h LYS 25 N 4.93 -0.97 -1.03 2.91 1.63 -1.98 -2.95 116.57 119.11 2emi h LYS 25 Ca -0.54 0.07 0.26 0.00 -0.85 0.00 0.00 60.65 59.59 2emi h LYS 25 Cb 1.22 0.22 -0.10 0.00 -0.60 0.00 0.00 32.23 32.97 2emi h LYS 25 CO 0.58 -0.63 0.64 0.66 -3.45 0.00 0.00 179.45 177.25 2emi h SER 26 N -1.18 0.53 -0.92 4.20 4.64 -1.99 0.23 113.55 119.07 2emi h SER 26 Ca -0.10 0.10 0.05 0.00 -0.47 0.00 0.00 61.79 61.36 2emi h SER 26 Cb 0.79 0.02 -0.06 0.00 -0.31 0.00 0.00 62.40 62.84 2emi h SER 26 CO 0.17 0.10 0.59 0.74 -0.87 0.00 0.00 176.83 177.56 2emi h THR 27 N 0.47 1.12 -0.30 2.95 2.02 -1.94 -2.43 112.91 114.79 2emi h THR 27 Ca 0.61 -0.38 -0.03 0.00 0.77 0.00 0.00 66.41 67.38 2emi h THR 27 Cb 1.40 -0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 2emi h THR 27 CO -0.36 0.20 0.09 0.25 0.37 0.00 0.00 175.52 176.07 2emi h LEU 28 N 1.12 0.45 -0.84 2.58 5.85 -0.38 -2.92 115.31 121.15 2emi h LEU 28 Ca 0.38 -0.21 0.17 0.00 0.84 0.00 0.00 57.88 59.05 2emi h LEU 28 Cb 0.07 -0.12 -0.10 0.00 0.37 0.00 0.00 40.66 40.88 2emi h LEU 28 CO -0.14 0.54 0.39 0.28 -0.34 0.00 0.00 178.44 179.17 2emi h SER 29 N 0.33 0.41 -0.00 1.25 0.02 -1.13 0.65 113.55 115.07 2emi h SER 29 Ca 0.10 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 2emi h SER 29 Cb 0.26 0.06 -0.00 0.00 0.14 0.00 0.00 62.40 62.87 2emi h SER 29 CO -0.00 0.13 0.02 0.24 -1.14 0.00 0.00 176.83 176.07 2emi h MET 30 N 0.51 0.00 0.00 3.45 2.86 -1.29 -2.99 114.93 117.47 2emi h MET 30 Ca 0.48 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 58.03 2emi h MET 30 Cb 0.77 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.41 2emi h MET 30 CO -0.42 0.00 -0.89 1.58 1.06 0.00 0.00 176.91 178.24 2emi n HIS 31 N -3.25 0.80 -0.43 -0.22 -0.00 0.21 -4.19 115.22 108.14 2emi n HIS 31 Ca -0.03 0.35 0.37 0.00 -0.00 0.00 0.00 57.72 58.41 2emi n HIS 31 Cb 0.09 -0.85 0.57 0.00 -0.00 0.00 0.00 29.99 29.80 2emi n HIS 31 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 2emi n GLN 32 N -4.53 0.01 -0.20 1.57 6.02 -0.12 0.60 117.38 120.72 2emi n GLN 32 Ca -0.18 0.94 0.01 0.00 -0.01 0.00 0.00 57.00 57.76 2emi n GLN 32 Cb 0.44 -2.24 0.11 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 0.20 -0.46 -1.09 0.11 -1.70 0.26 114.38 111.70 2emi h ARG 33 Ca 0.65 -0.01 0.13 0.00 0.10 0.00 0.00 59.98 60.85 2emi h ARG 33 Cb 3.02 -0.04 -0.02 0.00 1.11 0.00 0.00 29.97 34.03 2emi h ARG 33 CO -0.01 0.13 0.75 -0.84 0.10 0.00 0.00 179.97 180.10 2emi h ILE 34 N 0.20 0.13 0.03 0.08 3.07 -0.10 0.99 117.51 121.91 2emi h ILE 34 Ca 0.33 0.00 -0.30 0.00 1.55 0.00 0.00 64.86 66.44 2emi h ILE 34 Cb 0.51 0.35 -0.04 0.00 -0.27 0.00 0.00 36.82 37.37 2emi h ILE 34 CO -0.46 0.00 -1.70 0.45 -1.05 0.00 0.00 178.15 175.39 2emi h HIS 35 N 0.00 0.12 -1.31 0.16 3.86 -0.65 -3.46 115.15 113.87 2emi h HIS 35 Ca 0.22 -0.09 -0.60 0.00 -1.16 0.00 0.00 60.37 58.74 2emi h HIS 35 Cb 1.71 -0.00 -0.01 0.00 1.06 0.00 0.00 27.41 30.16 2emi h HIS 35 CO 0.00 1.16 1.51 0.54 0.86 0.00 0.00 177.93 182.00 2emi n ARG 36 N -3.17 1.19 -1.33 2.45 1.74 0.34 -4.91 116.66 112.98 2emi n ARG 36 Ca -0.18 0.27 -0.33 0.00 -0.77 0.00 0.00 57.85 56.84 2emi n ARG 36 Cb 1.04 -2.75 0.10 0.00 -1.02 0.00 0.00 32.46 29.83 2emi n ARG 36 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2emi s GLY 37 N 8.60 2.07 0.00 -0.13 0.00 -1.26 -4.98 107.32 111.61 2emi s GLY 37 Ca 1.08 0.65 0.00 0.00 0.00 0.00 0.00 44.72 46.45 2emi s GLY 37 CO 0.42 1.04 0.00 1.18 0.00 0.00 0.00 173.10 175.74 2emi n GLU 38 N -3.09 0.00 -1.73 2.90 1.02 -1.26 -5.06 120.64 113.43 2emi n GLU 38 Ca 0.12 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.86 2emi n GLU 38 Cb 0.51 -0.75 0.03 0.00 -0.02 0.00 0.00 31.44 31.22 2emi n GLU 38 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2emi n LYS 39 N -2.64 1.82 0.00 3.49 4.76 -1.26 -4.86 118.16 119.47 2emi n LYS 39 Ca 0.00 0.66 0.08 0.00 -2.87 0.00 0.00 58.31 56.18 2emi n LYS 39 Cb 0.46 -2.52 0.42 0.00 -1.84 0.00 0.00 35.03 31.54 2emi n LYS 39 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 2emi n PRO 40 N -0.60 0.34 -2.98 1.97 -0.04 -1.26 -4.75 135.00 127.68 2emi n PRO 40 Ca 0.09 0.08 -0.18 0.00 -0.04 0.00 0.00 63.50 63.44 2emi n PRO 40 Cb 0.43 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.40 2emi n PRO 40 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2emi s SER 41 N -2.31 5.62 0.00 3.54 0.01 -1.26 -4.99 113.70 114.30 2emi s SER 41 Ca 0.18 -0.30 0.00 0.00 1.31 0.00 0.00 55.95 57.15 2emi s SER 41 Cb 0.10 -0.78 0.00 0.00 0.21 0.00 0.00 66.02 65.55 2emi s SER 41 CO 0.21 -0.80 0.00 0.61 0.41 0.00 0.00 173.24 173.66 2emi n GLY 42 N -1.93 0.94 3.70 3.44 0.00 -1.26 -4.97 105.19 105.10 2emi n GLY 42 Ca 0.07 -0.61 -0.29 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.19 0.84 -0.67 1.61 0.04 -1.26 -4.88 135.00 130.49 2emi s PRO 43 Ca 0.00 0.67 -0.26 0.00 0.04 0.00 0.00 61.00 61.45 2emi s PRO 43 Cb 0.00 -1.77 -0.06 0.00 0.04 0.00 0.00 34.50 32.71 2emi s PRO 43 CO 0.00 -2.49 2.11 -1.12 0.04 0.00 0.00 177.00 175.54 2emi s SER 44 N -3.44 4.81 -0.45 6.66 0.01 -1.26 -4.86 113.70 115.18 2emi s SER 44 Ca 0.64 0.28 -0.41 0.00 1.31 0.00 0.00 55.95 57.77 2emi s SER 44 Cb -0.18 -2.53 -0.17 0.00 0.21 0.00 0.00 66.02 63.35 2emi s SER 44 CO 0.57 -2.81 2.12 -1.20 0.41 0.00 0.00 173.24 172.33 2emi n SER 45 N 14.74 1.24 0.00 2.44 7.64 -1.26 -5.37 113.62 133.05 2emi n SER 45 Ca 0.33 0.63 0.00 0.00 1.01 0.00 0.00 58.87 60.83 2emi n SER 45 Cb 0.50 -1.02 0.00 0.00 -1.01 0.00 0.00 64.21 62.69 2emi n SER 45 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64