#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 5.24 0.24 1.61 1.04 -1.26 -5.08 113.70 115.49 2emi s SER 2 Ca 0.00 -2.51 0.08 0.00 0.48 0.00 0.00 55.95 54.00 2emi s SER 2 Cb 0.00 -1.84 -0.04 0.00 0.10 0.00 0.00 66.02 64.24 2emi s SER 2 CO 0.00 -0.44 0.08 -0.44 0.98 0.00 0.00 173.24 173.42 2emi s SER 3 N 1.16 5.02 -1.26 7.02 0.01 -1.26 -5.05 113.70 119.35 2emi s SER 3 Ca 0.13 -0.42 -0.11 0.00 1.31 0.00 0.00 55.95 56.86 2emi s SER 3 Cb -0.21 -1.13 0.17 0.00 0.21 0.00 0.00 66.02 65.06 2emi s SER 3 CO -0.04 0.01 1.71 0.61 0.41 0.00 0.00 173.24 175.94 2emi n GLY 4 N -0.84 4.19 3.04 3.44 0.00 -1.26 -4.88 105.19 108.89 2emi n GLY 4 Ca -0.08 -2.05 -0.34 0.00 0.00 0.00 0.00 46.02 43.55 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 1.68 5.33 0.07 1.61 0.15 -1.26 -5.04 113.70 116.25 2emi s SER 5 Ca 0.41 -3.41 -0.24 0.00 0.70 0.00 0.00 55.95 53.41 2emi s SER 5 Cb 0.05 -1.81 0.06 0.00 -1.71 0.00 0.00 66.02 62.61 2emi s SER 5 CO 0.00 -0.22 0.57 -0.94 1.20 0.00 0.00 173.24 173.85 2emi s SER 6 N -0.19 -0.51 -0.63 5.45 1.04 -1.26 -5.12 113.70 112.48 2emi s SER 6 Ca 0.23 0.18 -0.24 0.00 0.48 0.00 0.00 55.95 56.59 2emi s SER 6 Cb -0.13 0.54 0.05 0.00 0.10 0.00 0.00 66.02 66.58 2emi s SER 6 CO -0.09 -0.80 1.04 -0.83 0.98 0.00 0.00 173.24 173.54 2emi s GLY 7 N -2.16 1.27 0.16 7.32 0.00 -1.26 -5.01 107.32 107.64 2emi s GLY 7 Ca -0.04 -1.46 0.09 0.00 0.00 0.00 0.00 44.72 43.32 2emi s GLY 7 CO -0.04 2.21 -0.14 -0.51 0.00 0.00 0.00 173.10 174.61 2emi s THR 8 N 4.42 2.96 0.00 0.90 -4.23 -1.26 -4.88 115.64 113.55 2emi s THR 8 Ca 0.29 -1.65 0.00 0.00 -1.18 0.00 0.00 61.69 59.15 2emi s THR 8 Cb -0.13 -2.42 0.00 0.00 1.34 0.00 0.00 72.50 71.29 2emi s THR 8 CO 0.15 -0.03 0.00 0.61 -0.54 0.00 0.00 174.62 174.81 2emi n GLY 9 N 0.35 0.98 2.71 3.99 0.00 -1.26 -5.10 105.19 106.86 2emi n GLY 9 Ca -0.13 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.61 2emi n GLY 9 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2emi s GLU 10 N 0.03 1.75 -0.51 1.61 2.02 -1.26 -4.94 118.70 117.40 2emi s GLU 10 Ca 0.00 -2.69 0.03 0.00 0.02 0.00 0.00 54.97 52.33 2emi s GLU 10 Cb 0.00 -2.61 0.43 0.00 0.10 0.00 0.00 34.13 32.05 2emi s GLU 10 CO 0.00 -1.29 1.49 0.54 0.02 0.00 0.00 175.26 176.02 2emi n ARG 11 N 2.57 3.22 -3.62 1.61 1.74 -1.26 -5.00 116.66 115.93 2emi n ARG 11 Ca 0.20 -3.97 -0.01 0.00 -0.77 0.00 0.00 57.85 53.30 2emi n ARG 11 Cb 0.39 -2.27 -0.01 0.00 -1.02 0.00 0.00 32.46 29.54 2emi n ARG 11 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 2emi s HIS 12 N -3.71 -0.09 -0.88 -1.55 -3.43 -1.26 -5.08 115.29 99.28 2emi s HIS 12 Ca 0.53 -0.01 -0.21 0.00 -0.80 0.00 0.00 55.06 54.57 2emi s HIS 12 Cb 0.43 0.54 0.10 0.00 -1.43 0.00 0.00 32.58 32.22 2emi s HIS 12 CO -0.12 -0.31 1.17 0.71 -2.00 0.00 0.00 174.74 174.19 2emi s TYR 13 N -2.53 2.85 -0.05 0.38 1.51 -1.26 -4.97 117.35 113.30 2emi s TYR 13 Ca 0.12 -1.02 -0.16 0.00 -1.01 0.00 0.00 57.07 55.00 2emi s TYR 13 Cb 0.02 -4.39 -0.05 0.00 -0.11 0.00 0.00 41.96 37.43 2emi s TYR 13 CO -0.04 -1.65 0.42 -1.21 -1.11 0.00 0.00 175.55 171.96 2emi s GLU 14 N 3.63 4.07 0.72 -0.62 2.02 -1.26 -3.18 118.70 124.08 2emi s GLU 14 Ca 0.33 0.40 -0.14 0.00 0.02 0.00 0.00 54.97 55.58 2emi s GLU 14 Cb -0.07 -3.30 0.03 0.00 0.10 0.00 0.00 34.13 30.90 2emi s GLU 14 CO -0.04 0.50 1.15 0.00 0.02 0.00 0.00 175.26 176.89 2emi n SER 16 N -2.80 0.68 0.24 0.00 7.64 -1.26 -3.32 113.62 114.80 2emi n SER 16 Ca 0.12 -0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.90 2emi n SER 16 Cb 0.51 0.91 -0.05 0.00 -1.01 0.00 0.00 64.21 64.57 2emi n SER 16 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2emi h GLU 17 N 0.00 -0.61 0.03 1.43 4.39 -2.00 -3.39 114.58 114.44 2emi h GLU 17 Ca -0.48 0.04 -0.33 0.00 0.34 0.00 0.00 59.36 58.93 2emi h GLU 17 Cb 2.08 0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 30.83 2emi h GLU 17 CO 0.02 -0.40 -1.84 0.00 -1.16 0.00 0.00 179.01 175.64 2emi n GLY 19 N 1.62 1.58 3.92 0.00 0.00 -1.21 -5.06 105.19 106.04 2emi n GLY 19 Ca -0.38 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.28 1.67 -0.07 1.61 2.20 -1.26 -4.73 119.74 118.89 2emi s LYS 20 Ca 0.00 -0.11 0.01 0.00 -0.36 0.00 0.00 55.97 55.50 2emi s LYS 20 Cb 0.00 -1.97 0.02 0.00 -1.51 0.00 0.00 37.83 34.37 2emi s LYS 20 CO 0.00 -1.73 -0.06 0.00 -0.36 0.00 0.00 175.35 173.20 2emi s ALA 21 N -3.59 0.93 0.51 3.13 0.00 -1.26 -1.11 121.76 120.37 2emi s ALA 21 Ca 0.65 -0.24 0.01 0.00 0.00 0.00 0.00 51.96 52.37 2emi s ALA 21 Cb -0.09 -0.61 -0.01 0.00 0.00 0.00 0.00 23.12 22.41 2emi s ALA 21 CO 0.49 -0.15 0.01 -0.06 0.00 0.00 0.00 175.76 176.05 2emi s PHE 22 N 1.22 1.84 -0.23 0.00 0.40 -1.19 -5.02 117.98 115.00 2emi s PHE 22 Ca -0.06 -0.96 0.02 0.00 -0.60 0.00 0.00 56.93 55.34 2emi s PHE 22 Cb -0.14 -1.61 -0.15 0.00 0.51 0.00 0.00 43.02 41.62 2emi s PHE 22 CO -0.02 0.21 -0.19 1.51 0.70 0.00 0.00 175.22 177.43 2emi n ILE 23 N -1.28 1.32 -4.21 0.64 3.06 -1.26 -4.01 119.36 113.61 2emi n ILE 23 Ca -0.19 -0.52 -0.30 0.00 -2.50 0.00 0.00 62.75 59.24 2emi n ILE 23 Cb 0.67 -1.28 -0.09 0.00 0.54 0.00 0.00 39.64 39.48 2emi n ILE 23 CO 0.00 0.00 0.00 -1.10 -2.50 0.00 0.00 176.55 172.95 2emi s GLN 24 N -2.46 2.21 0.18 9.51 -0.21 -1.26 -4.76 119.66 122.86 2emi s GLN 24 Ca -0.30 -1.00 -0.13 0.00 0.02 0.00 0.00 55.36 53.95 2emi s GLN 24 Cb 0.08 -2.35 0.08 0.00 1.00 0.00 0.00 33.01 31.82 2emi s GLN 24 CO 0.54 0.51 1.82 -0.22 -2.12 0.00 0.00 175.29 175.82 2emi h LYS 25 N 3.52 0.77 -0.34 2.91 1.63 -1.94 -2.80 116.57 120.32 2emi h LYS 25 Ca -0.49 -0.07 0.03 0.00 -0.85 0.00 0.00 60.65 59.28 2emi h LYS 25 Cb 1.17 -0.16 -0.03 0.00 -0.60 0.00 0.00 32.23 32.60 2emi h LYS 25 CO 0.54 0.55 0.14 1.03 -3.45 0.00 0.00 179.45 178.26 2emi h SER 26 N 0.77 0.18 -0.93 4.20 0.87 -1.99 -1.42 113.55 115.22 2emi h SER 26 Ca 0.21 0.03 0.23 0.00 -1.23 0.00 0.00 61.79 61.02 2emi h SER 26 Cb -0.03 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 61.87 2emi h SER 26 CO -0.04 0.14 0.62 0.74 -0.53 0.00 0.00 176.83 177.76 2emi h THR 27 N 0.30 0.62 -0.01 2.23 2.02 -1.92 0.07 112.91 116.23 2emi h THR 27 Ca 0.15 -0.11 -0.06 0.00 0.77 0.00 0.00 66.41 67.16 2emi h THR 27 Cb 0.10 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 66.79 2emi h THR 27 CO -0.14 0.06 -0.23 0.25 0.37 0.00 0.00 175.52 175.83 2emi h LEU 28 N 0.32 0.22 -0.72 2.58 5.85 -1.18 -3.10 115.31 119.28 2emi h LEU 28 Ca 0.49 -0.76 0.07 0.00 0.84 0.00 0.00 57.88 58.51 2emi h LEU 28 Cb 1.35 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 42.26 2emi h LEU 28 CO -0.16 0.95 0.41 -1.28 -0.34 0.00 0.00 178.44 178.01 2emi h SER 29 N -0.49 0.61 0.53 1.25 0.87 -0.38 0.19 113.55 116.13 2emi h SER 29 Ca -0.03 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2emi h SER 29 Cb 0.98 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.85 2emi h SER 29 CO 0.05 0.38 0.00 0.00 -0.53 0.00 0.00 176.83 176.73 2emi h MET 30 N 0.74 0.00 0.00 2.24 -0.00 -1.12 -3.17 114.93 113.62 2emi h MET 30 Ca 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 60.03 2emi h MET 30 Cb 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.81 2emi h MET 30 CO -0.19 0.00 -0.59 1.58 -0.00 0.00 0.00 176.91 177.71 2emi n HIS 31 N -2.52 0.74 -0.36 -0.10 -0.00 0.40 -4.21 115.22 109.15 2emi n HIS 31 Ca 0.00 0.32 0.34 0.00 -0.00 0.00 0.00 57.72 58.38 2emi n HIS 31 Cb 0.18 -0.71 0.52 0.00 -0.00 0.00 0.00 29.99 29.98 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 -0.25 1.57 6.02 0.38 0.35 117.38 120.93 2emi n GLN 32 Ca -0.08 0.96 0.05 0.00 -0.01 0.00 0.00 57.00 57.92 2emi n GLN 32 Cb 0.31 -2.33 0.18 0.00 1.02 0.00 0.00 30.24 29.41 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 0.23 -1.02 -1.09 0.11 -1.72 0.36 114.38 111.26 2emi h ARG 33 Ca 0.60 -0.01 0.29 0.00 0.10 0.00 0.00 59.98 60.96 2emi h ARG 33 Cb 2.99 -0.05 -0.04 0.00 1.11 0.00 0.00 29.97 33.97 2emi h ARG 33 CO -0.01 0.15 0.73 -0.84 0.10 0.00 0.00 179.97 180.11 2emi h ILE 34 N 0.24 0.49 0.00 0.08 3.07 -0.37 0.58 117.51 121.61 2emi h ILE 34 Ca 0.41 -0.01 -0.19 0.00 1.55 0.00 0.00 64.86 66.62 2emi h ILE 34 Cb 0.71 0.47 -0.01 0.00 -0.27 0.00 0.00 36.82 37.72 2emi h ILE 34 CO -0.53 0.00 -0.86 0.45 -1.05 0.00 0.00 178.15 176.16 2emi h HIS 35 N 0.02 0.23 -0.42 0.16 3.86 -0.44 -3.25 115.15 115.30 2emi h HIS 35 Ca 0.49 -0.13 -0.27 0.00 -1.16 0.00 0.00 60.37 59.30 2emi h HIS 35 Cb 1.93 -0.03 -0.11 0.00 1.06 0.00 0.00 27.41 30.26 2emi h HIS 35 CO -0.00 0.94 0.29 0.54 0.86 0.00 0.00 177.93 180.56 2emi n ARG 36 N -3.64 1.72 -3.80 2.45 1.74 0.20 -4.83 116.66 110.51 2emi n ARG 36 Ca -0.03 -1.32 -0.23 0.00 -0.77 0.00 0.00 57.85 55.50 2emi n ARG 36 Cb 0.80 -1.57 -0.07 0.00 -1.02 0.00 0.00 32.46 30.60 2emi n ARG 36 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2emi n GLY 37 N 0.73 -0.10 0.29 -0.13 0.00 -1.22 -4.82 105.19 99.93 2emi n GLY 37 Ca 0.27 0.12 -0.11 0.00 0.00 0.00 0.00 46.02 46.30 2emi n GLY 37 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2emi h GLU 38 N -0.97 -0.71 -6.11 1.61 4.57 -1.73 -3.44 114.58 107.80 2emi h GLU 38 Ca -0.47 0.05 -0.54 0.00 -1.18 0.00 0.00 59.36 57.21 2emi h GLU 38 Cb 1.01 0.16 -0.04 0.00 -0.16 0.00 0.00 28.75 29.72 2emi h GLU 38 CO 0.52 -0.47 -0.50 0.15 -1.18 0.00 0.00 179.01 177.54 2emi s LYS 39 N -4.56 3.26 1.04 1.92 3.01 -1.26 -5.11 119.74 118.04 2emi s LYS 39 Ca -0.11 -0.70 -0.13 0.00 -1.01 0.00 0.00 55.97 54.02 2emi s LYS 39 Cb 0.01 -2.85 0.21 0.00 -1.01 0.00 0.00 37.83 34.19 2emi s LYS 39 CO 0.32 0.50 1.10 -1.25 0.51 0.00 0.00 175.35 176.53 2emi s PRO 40 N -3.26 0.13 -0.57 -1.68 0.04 -1.26 -4.97 135.00 123.42 2emi s PRO 40 Ca 0.33 0.42 0.01 0.00 0.04 0.00 0.00 61.00 61.80 2emi s PRO 40 Cb -0.10 -1.71 0.44 0.00 0.04 0.00 0.00 34.50 33.16 2emi s PRO 40 CO 0.27 -2.91 1.74 0.45 0.04 0.00 0.00 177.00 176.59 2emi n SER 41 N -4.28 6.72 0.00 6.66 2.88 -1.26 -5.06 113.62 119.27 2emi n SER 41 Ca 0.06 -3.78 0.00 0.00 -1.33 0.00 0.00 58.87 53.82 2emi n SER 41 Cb 0.58 -0.78 0.00 0.00 -0.75 0.00 0.00 64.21 63.26 2emi n SER 41 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2emi n GLY 42 N -0.79 0.69 0.00 0.46 0.00 -1.26 -1.51 105.19 102.78 2emi n GLY 42 Ca 0.55 -0.76 0.06 0.00 0.00 0.00 0.00 46.02 45.86 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 0.49 -3.75 1.61 -0.04 -1.26 -4.14 135.00 127.90 2emi n PRO 43 Ca 0.00 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.13 2emi n PRO 43 Cb 0.00 -1.36 -0.09 0.00 -0.04 0.00 0.00 33.50 32.01 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 -1.86 5.40 -0.57 3.54 1.04 -0.57 -5.01 113.70 115.67 2emi s SER 44 Ca 0.17 -3.58 -0.05 0.00 0.48 0.00 0.00 55.95 52.96 2emi s SER 44 Cb 0.08 -1.80 0.15 0.00 0.10 0.00 0.00 66.02 64.55 2emi s SER 44 CO 0.13 -0.18 0.41 -0.55 0.98 0.00 0.00 173.24 174.02 2emi s SER 45 N -0.43 5.51 0.00 7.02 0.15 -1.25 -4.75 113.70 119.95 2emi s SER 45 Ca 0.24 -2.47 0.00 0.00 0.70 0.00 0.00 55.95 54.43 2emi s SER 45 Cb -0.10 -1.92 0.00 0.00 -1.71 0.00 0.00 66.02 62.29 2emi s SER 45 CO -0.11 -0.50 0.00 0.61 1.20 0.00 0.00 173.24 174.44