#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 0.26 -0.04 1.61 0.01 -1.26 -5.16 113.70 109.12 2emi s SER 2 Ca 0.00 -0.52 0.07 0.00 1.31 0.00 0.00 55.95 56.81 2emi s SER 2 Cb 0.00 0.10 -0.01 0.00 0.21 0.00 0.00 66.02 66.32 2emi s SER 2 CO 0.00 -0.31 -0.25 -0.55 0.41 0.00 0.00 173.24 172.55 2emi s SER 3 N -1.51 2.96 0.00 2.44 0.15 -1.26 -5.05 113.70 111.44 2emi s SER 3 Ca -0.15 -0.48 0.00 0.00 0.70 0.00 0.00 55.95 56.02 2emi s SER 3 Cb -0.09 -0.61 0.00 0.00 -1.71 0.00 0.00 66.02 63.60 2emi s SER 3 CO -0.01 0.27 0.00 0.61 1.20 0.00 0.00 173.24 175.30 2emi n GLY 4 N 2.76 1.34 3.62 9.45 0.00 -1.26 -5.09 105.19 116.00 2emi n GLY 4 Ca -0.17 -1.53 -0.24 0.00 0.00 0.00 0.00 46.02 44.08 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 -0.33 4.42 0.12 1.61 0.15 -1.26 -5.07 113.70 113.34 2emi s SER 5 Ca 0.00 -0.65 -0.35 0.00 0.70 0.00 0.00 55.95 55.65 2emi s SER 5 Cb 0.00 -0.79 -0.16 0.00 -1.71 0.00 0.00 66.02 63.36 2emi s SER 5 CO 0.00 0.03 1.30 -1.20 1.20 0.00 0.00 173.24 174.57 2emi n SER 6 N -0.64 1.68 -4.54 5.45 7.64 -1.26 -4.82 113.62 117.13 2emi n SER 6 Ca -0.07 1.12 -0.45 0.00 1.01 0.00 0.00 58.87 60.48 2emi n SER 6 Cb 0.58 -1.22 -0.02 0.00 -1.01 0.00 0.00 64.21 62.54 2emi n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2emi n GLY 7 N 2.41 -0.63 3.77 0.23 0.00 -1.26 -4.90 105.19 104.81 2emi n GLY 7 Ca 0.17 0.33 -0.36 0.00 0.00 0.00 0.00 46.02 46.16 2emi n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2emi s THR 8 N -1.04 2.95 0.00 2.61 2.01 -1.26 -4.66 115.64 116.26 2emi s THR 8 Ca 0.60 0.63 0.00 0.00 0.31 0.00 0.00 61.69 63.23 2emi s THR 8 Cb -0.76 -3.28 0.00 0.00 0.01 0.00 0.00 72.50 68.47 2emi s THR 8 CO 0.59 -0.09 0.00 0.61 -0.69 0.00 0.00 174.62 175.04 2emi n GLY 9 N 0.35 0.78 3.62 4.40 0.00 -1.26 -5.00 105.19 108.08 2emi n GLY 9 Ca 0.11 -0.74 -0.62 0.00 0.00 0.00 0.00 46.02 44.77 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 0.45 0.20 1.61 4.71 -1.26 -4.75 120.64 121.60 2emi n GLU 10 Ca 0.00 0.16 0.18 0.00 -0.01 0.00 0.00 57.16 57.49 2emi n GLU 10 Cb 0.00 -1.77 0.79 0.00 -1.01 0.00 0.00 31.44 29.45 2emi n GLU 10 CO 0.00 0.00 0.00 0.07 0.09 0.00 0.00 177.13 177.29 2emi h ARG 11 N 7.11 0.00 -4.93 3.49 0.11 -1.94 -3.42 114.38 114.80 2emi h ARG 11 Ca -0.37 0.00 -0.48 0.00 0.10 0.00 0.00 59.98 59.24 2emi h ARG 11 Cb 1.36 0.00 -0.13 0.00 1.11 0.00 0.00 29.97 32.31 2emi h ARG 11 CO 1.00 0.00 -0.52 -3.38 0.10 0.00 0.00 179.97 177.17 2emi s HIS 12 N -4.43 1.70 -0.07 4.08 -3.43 -1.26 -5.00 115.29 106.88 2emi s HIS 12 Ca -0.04 -1.47 0.05 0.00 -0.80 0.00 0.00 55.06 52.81 2emi s HIS 12 Cb 0.13 -0.88 -0.01 0.00 -1.43 0.00 0.00 32.58 30.39 2emi s HIS 12 CO 0.45 -0.60 -0.24 0.71 -2.00 0.00 0.00 174.74 173.06 2emi s TYR 13 N -3.44 2.48 0.19 0.38 2.02 -1.24 -5.01 117.35 112.73 2emi s TYR 13 Ca 0.34 -0.78 0.08 0.00 -0.37 0.00 0.00 57.07 56.34 2emi s TYR 13 Cb 0.03 -1.63 -0.04 0.00 -0.40 0.00 0.00 41.96 39.92 2emi s TYR 13 CO 0.20 -0.25 -0.00 -1.21 -1.57 0.00 0.00 175.55 172.72 2emi s GLU 14 N -0.06 2.37 -0.30 -0.62 8.01 -1.26 -1.20 118.70 125.64 2emi s GLU 14 Ca -0.07 -1.17 -0.28 0.00 0.01 0.00 0.00 54.97 53.47 2emi s GLU 14 Cb -0.15 -2.32 0.01 0.00 -4.31 0.00 0.00 34.13 27.37 2emi s GLU 14 CO 0.05 0.44 1.00 0.00 0.01 0.00 0.00 175.26 176.76 2emi n SER 16 N 6.61 5.47 0.00 0.00 2.88 -1.26 -2.66 113.62 124.66 2emi n SER 16 Ca 0.10 -2.54 0.00 0.00 -1.33 0.00 0.00 58.87 55.10 2emi n SER 16 Cb 0.47 -1.08 0.00 0.00 -0.75 0.00 0.00 64.21 62.85 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 1.19 0.00 0.00 -1.46 -0.58 -1.26 -4.99 120.64 113.54 2emi n GLU 17 Ca 0.07 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.81 2emi n GLU 17 Cb 0.52 -0.43 0.00 0.00 -0.57 0.00 0.00 31.44 30.96 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 3.00 0.18 3.83 0.00 0.00 -1.09 -5.08 105.19 106.04 2emi n GLY 19 Ca 0.00 -0.51 -0.25 0.00 0.00 0.00 0.00 46.02 45.26 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 2.30 -0.05 1.61 1.02 -1.26 -4.90 119.74 118.47 2emi s LYS 20 Ca 0.00 -1.88 -0.01 0.00 0.02 0.00 0.00 55.97 54.10 2emi s LYS 20 Cb 0.00 -2.08 0.03 0.00 -0.52 0.00 0.00 37.83 35.26 2emi s LYS 20 CO 0.00 -0.34 0.02 0.00 -0.92 0.00 0.00 175.35 174.11 2emi s ALA 21 N -2.65 0.43 0.42 5.17 0.00 -1.26 -2.13 121.76 121.73 2emi s ALA 21 Ca 0.38 0.07 0.02 0.00 0.00 0.00 0.00 51.96 52.43 2emi s ALA 21 Cb -0.00 -0.56 0.02 0.00 0.00 0.00 0.00 23.12 22.58 2emi s ALA 21 CO 0.22 -0.34 0.17 1.19 0.00 0.00 0.00 175.76 177.00 2emi n PHE 22 N 4.85 0.05 -0.08 0.00 3.01 -0.34 -5.02 117.46 119.94 2emi n PHE 22 Ca -0.12 -1.91 -0.07 0.00 1.01 0.00 0.00 57.45 56.36 2emi n PHE 22 Cb 0.50 -0.31 -0.13 0.00 -0.01 0.00 0.00 39.48 39.53 2emi n PHE 22 CO 0.00 0.00 0.00 1.51 1.01 0.00 0.00 176.76 179.28 2emi n ILE 23 N -1.27 1.05 -4.27 4.37 3.06 -1.26 -3.74 119.36 117.30 2emi n ILE 23 Ca -0.09 -0.69 -0.15 0.00 -2.50 0.00 0.00 62.75 59.33 2emi n ILE 23 Cb 0.50 -0.49 -0.10 0.00 0.54 0.00 0.00 39.64 40.09 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 -2.49 1.24 0.01 9.51 -1.52 -1.26 -4.75 119.66 120.40 2emi s GLN 24 Ca -0.08 -1.63 -0.21 0.00 -1.95 0.00 0.00 55.36 51.49 2emi s GLN 24 Cb 0.06 -0.25 -0.12 0.00 -0.22 0.00 0.00 33.01 32.48 2emi s GLN 24 CO 0.70 -0.21 1.06 0.87 -0.25 0.00 0.00 175.29 177.46 2emi h LYS 25 N 2.56 -0.73 -0.81 2.91 1.79 -1.95 -2.98 116.57 117.36 2emi h LYS 25 Ca -0.37 0.05 0.08 0.00 -2.18 0.00 0.00 60.65 58.22 2emi h LYS 25 Cb 1.22 0.17 -0.10 0.00 -1.58 0.00 0.00 32.23 31.93 2emi h LYS 25 CO 0.62 -0.49 -0.55 0.66 -1.08 0.00 0.00 179.45 178.60 2emi h SER 26 N -0.95 -1.99 -0.92 0.86 4.64 -1.98 0.34 113.55 113.55 2emi h SER 26 Ca -0.08 0.29 0.26 0.00 -0.47 0.00 0.00 61.79 61.79 2emi h SER 26 Cb 0.58 0.87 -0.16 0.00 -0.31 0.00 0.00 62.40 63.38 2emi h SER 26 CO 0.13 -0.26 0.13 0.74 -0.87 0.00 0.00 176.83 176.70 2emi h THR 27 N -0.10 0.16 -0.40 2.95 2.02 -2.00 0.45 112.91 116.00 2emi h THR 27 Ca 0.13 -0.03 -0.07 0.00 0.77 0.00 0.00 66.41 67.21 2emi h THR 27 Cb 0.43 0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 2emi h THR 27 CO -0.81 0.02 -0.01 0.25 0.37 0.00 0.00 175.52 175.34 2emi h LEU 28 N 0.09 0.70 -0.91 2.58 5.85 -0.27 -2.99 115.31 120.36 2emi h LEU 28 Ca 0.58 -0.31 0.06 0.00 0.84 0.00 0.00 57.88 59.05 2emi h LEU 28 Cb 1.19 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.97 2emi h LEU 28 CO -0.79 0.84 0.57 0.28 -0.34 0.00 0.00 178.44 179.01 2emi h SER 29 N 0.54 0.90 -0.13 1.25 0.02 0.19 0.19 113.55 116.51 2emi h SER 29 Ca 0.11 0.02 0.04 0.00 -0.84 0.00 0.00 61.79 61.12 2emi h SER 29 Cb 0.49 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 2emi h SER 29 CO 0.02 0.57 0.12 0.24 -1.14 0.00 0.00 176.83 176.64 2emi h MET 30 N 1.04 0.00 0.00 3.45 2.86 -0.91 -2.58 114.93 118.79 2emi h MET 30 Ca 0.40 0.00 -0.12 0.00 -2.06 0.00 0.00 59.70 57.92 2emi h MET 30 Cb 0.18 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.82 2emi h MET 30 CO -0.18 0.00 -0.91 1.58 1.06 0.00 0.00 176.91 178.46 2emi n HIS 31 N -4.10 0.93 -0.61 -0.22 -0.00 -0.07 -4.18 115.22 106.98 2emi n HIS 31 Ca 0.00 0.40 0.48 0.00 -0.00 0.00 0.00 57.72 58.60 2emi n HIS 31 Cb 0.23 -0.92 0.78 0.00 -0.00 0.00 0.00 29.99 30.08 2emi n HIS 31 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.34 178.30 2emi h GLN 32 N -1.00 0.01 -0.82 1.57 4.20 -0.60 0.54 115.11 119.01 2emi h GLN 32 Ca -0.18 -0.00 0.18 0.00 0.06 0.00 0.00 58.65 58.71 2emi h GLN 32 Cb 0.90 -0.00 -0.11 0.00 0.30 0.00 0.00 27.48 28.57 2emi h GLN 32 CO -0.11 0.01 0.32 0.07 -0.67 0.00 0.00 178.83 178.45 2emi h ARG 33 N 0.01 0.39 -1.33 1.46 0.11 -1.63 0.17 114.38 113.56 2emi h ARG 33 Ca 0.88 -0.02 0.40 0.00 0.10 0.00 0.00 59.98 61.34 2emi h ARG 33 Cb 3.35 -0.09 -0.09 0.00 1.11 0.00 0.00 29.97 34.26 2emi h ARG 33 CO -0.13 0.26 0.91 -0.84 0.10 0.00 0.00 179.97 180.27 2emi h ILE 34 N 0.41 0.27 0.07 0.08 3.07 -0.15 1.07 117.51 122.33 2emi h ILE 34 Ca 0.48 -0.04 -0.24 0.00 1.55 0.00 0.00 64.86 66.61 2emi h ILE 34 Cb 0.81 0.15 -0.01 0.00 -0.27 0.00 0.00 36.82 37.50 2emi h ILE 34 CO -0.47 0.02 -1.10 0.45 -1.05 0.00 0.00 178.15 176.00 2emi h HIS 35 N 0.11 0.31 -0.48 0.16 3.86 -0.84 -3.32 115.15 114.96 2emi h HIS 35 Ca 0.72 -0.22 -0.33 0.00 -1.16 0.00 0.00 60.37 59.39 2emi h HIS 35 Cb 2.46 -0.02 -0.12 0.00 1.06 0.00 0.00 27.41 30.80 2emi h HIS 35 CO -0.00 1.14 -0.02 0.54 0.86 0.00 0.00 177.93 180.45 2emi n ARG 36 N -3.50 2.15 0.00 2.45 1.74 0.37 -4.92 116.66 114.95 2emi n ARG 36 Ca -0.05 -1.58 0.00 0.00 -0.77 0.00 0.00 57.85 55.45 2emi n ARG 36 Cb 0.96 -2.03 0.00 0.00 -1.02 0.00 0.00 32.46 30.37 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 1.71 -2.97 3.67 -0.13 0.00 -1.22 -4.94 105.19 101.31 2emi n GLY 37 Ca 0.44 -0.98 -0.37 0.00 0.00 0.00 0.00 46.02 45.12 2emi n GLY 37 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2emi s GLU 38 N 0.00 4.10 0.41 1.61 0.41 -1.26 -5.06 118.70 118.92 2emi s GLU 38 Ca 0.00 -0.19 -0.24 0.00 -0.41 0.00 0.00 54.97 54.13 2emi s GLU 38 Cb 0.00 -3.53 -0.11 0.00 -1.78 0.00 0.00 34.13 28.71 2emi s GLU 38 CO 0.00 0.07 0.93 0.36 -0.49 0.00 0.00 175.26 176.13 2emi n LYS 39 N 4.24 1.20 -0.08 1.61 0.00 -1.26 -4.91 118.16 118.95 2emi n LYS 39 Ca -0.14 0.43 -0.13 0.00 -0.00 0.00 0.00 58.31 58.47 2emi n LYS 39 Cb 0.52 -1.94 -0.05 0.00 -0.00 0.00 0.00 35.03 33.56 2emi n LYS 39 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.40 176.40 2emi h PRO 40 N 1.42 0.62 -6.21 -1.58 0.13 -2.05 -3.44 132.00 120.89 2emi h PRO 40 Ca -0.43 -0.32 -0.68 0.00 -0.87 0.00 0.00 66.00 63.69 2emi h PRO 40 Cb 1.35 0.01 -0.19 0.00 0.13 0.00 0.00 31.00 32.30 2emi h PRO 40 CO 0.56 0.92 -0.70 0.45 -0.23 0.00 0.00 178.00 179.00 2emi s SER 41 N -6.44 4.58 0.00 1.44 0.15 -1.26 -5.04 113.70 107.14 2emi s SER 41 Ca -0.13 -0.08 0.00 0.00 0.70 0.00 0.00 55.95 56.45 2emi s SER 41 Cb 0.08 -1.11 0.00 0.00 -1.71 0.00 0.00 66.02 63.28 2emi s SER 41 CO 0.81 0.34 0.00 0.61 1.20 0.00 0.00 173.24 176.20 2emi n GLY 42 N 2.01 -1.28 3.73 9.45 0.00 -1.26 -5.17 105.19 112.67 2emi n GLY 42 Ca -0.17 0.75 -0.30 0.00 0.00 0.00 0.00 46.02 46.30 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 0.00 1.50 -0.26 1.61 0.04 -1.26 -5.02 135.00 131.61 2emi s PRO 43 Ca 0.00 0.90 -0.07 0.00 0.04 0.00 0.00 61.00 61.87 2emi s PRO 43 Cb 0.00 -1.83 -0.14 0.00 0.04 0.00 0.00 34.50 32.57 2emi s PRO 43 CO 0.00 -2.09 -0.30 0.43 0.04 0.00 0.00 177.00 175.08 2emi n SER 44 N -3.79 1.96 -3.76 6.66 7.64 -1.26 -5.01 113.62 116.05 2emi n SER 44 Ca 0.07 0.14 -0.26 0.00 1.01 0.00 0.00 58.87 59.83 2emi n SER 44 Cb 0.55 -0.63 0.05 0.00 -1.01 0.00 0.00 64.21 63.16 2emi n SER 44 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2emi n SER 45 N -3.82 -4.74 0.00 6.43 7.64 -1.26 -5.39 113.62 112.49 2emi n SER 45 Ca -0.50 -0.70 0.00 0.00 1.01 0.00 0.00 58.87 58.68 2emi n SER 45 Cb 0.92 -4.35 0.00 0.00 -1.01 0.00 0.00 64.21 59.77 2emi n SER 45 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64