#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bgs s LYS 2 N 0.00 3.04 -0.09 1.97 2.47 -1.26 -1.14 119.74 124.73 1bgs s LYS 2 Ca 0.00 -0.84 0.04 0.00 -1.56 0.00 0.00 55.97 53.60 1bgs s LYS 2 Cb 0.00 -2.46 -0.01 0.00 -1.46 0.00 0.00 37.83 33.90 1bgs s LYS 2 CO 0.00 -0.01 -0.21 0.00 0.16 0.00 0.00 175.35 175.29 1bgs s ALA 3 N 0.81 2.31 -0.17 3.13 0.00 -0.44 -4.94 121.76 122.47 1bgs s ALA 3 Ca -0.07 -0.97 0.01 0.00 0.00 0.00 0.00 51.96 50.92 1bgs s ALA 3 Cb -0.15 -0.88 0.01 0.00 0.00 0.00 0.00 23.12 22.09 1bgs s ALA 3 CO -0.02 0.34 -0.17 0.08 0.00 0.00 0.00 175.76 175.99 1bgs s VAL 4 N 0.12 2.40 -0.19 0.00 1.01 -1.26 -1.35 120.40 121.13 1bgs s VAL 4 Ca -0.10 -0.85 -0.06 0.00 0.00 0.00 0.00 61.98 60.97 1bgs s VAL 4 Cb -0.16 -2.01 -0.03 0.00 0.00 0.00 0.00 36.38 34.18 1bgs s VAL 4 CO 0.06 0.52 0.03 -0.63 0.00 0.00 0.00 175.10 175.08 1bgs s ILE 5 N 1.04 4.39 -0.47 2.22 1.01 -0.57 -4.97 121.20 123.85 1bgs s ILE 5 Ca -0.01 -0.17 -0.15 0.00 0.00 0.00 0.00 60.65 60.32 1bgs s ILE 5 Cb -0.15 -2.98 0.07 0.00 0.01 0.00 0.00 42.46 39.42 1bgs s ILE 5 CO -0.05 0.45 0.38 0.20 0.00 0.00 0.00 174.94 175.92 1bgs s ASN 6 N 0.61 6.08 0.50 3.58 -0.87 -1.26 -1.24 114.94 122.34 1bgs s ASN 6 Ca 0.01 -1.35 0.15 0.00 -1.57 0.00 0.00 52.86 50.10 1bgs s ASN 6 Cb -0.14 -2.16 1.20 0.00 -0.02 0.00 0.00 41.25 40.14 1bgs s ASN 6 CO 0.02 -0.63 2.13 1.23 -2.57 0.00 0.00 177.10 177.27 1bgs h GLY 7 N 8.71 0.10 2.00 0.66 0.00 -0.93 -2.29 103.07 111.32 1bgs h GLY 7 Ca -0.28 -0.04 -0.02 0.00 0.00 0.00 0.00 47.33 47.00 1bgs h GLY 7 CO 0.86 0.04 -0.08 0.83 0.00 0.00 0.00 176.54 178.19 1bgs h GLU 8 N 0.10 0.00 -1.01 4.80 3.07 -1.80 -2.86 114.58 116.87 1bgs h GLU 8 Ca 0.04 0.00 -0.62 0.00 -0.50 0.00 0.00 59.36 58.28 1bgs h GLU 8 Cb 0.04 0.00 -0.36 0.00 -0.84 0.00 0.00 28.75 27.59 1bgs h GLU 8 CO -0.01 0.08 -0.02 0.00 -1.40 0.00 0.00 179.01 177.67 1bgs n GLN 9 N -3.29 3.18 -4.00 2.33 10.64 -0.86 -4.77 117.38 120.61 1bgs n GLN 9 Ca -0.01 -3.81 -0.31 0.00 -1.83 0.00 0.00 57.00 51.04 1bgs n GLN 9 Cb 0.28 -2.28 -0.15 0.00 -0.86 0.00 0.00 30.24 27.23 1bgs n GLN 9 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 1bgs s ILE 10 N -4.81 2.35 -0.86 -0.39 -1.09 -1.08 -4.95 121.20 110.37 1bgs s ILE 10 Ca 0.56 -2.33 0.16 0.00 -2.23 0.00 0.00 60.65 56.82 1bgs s ILE 10 Cb 0.45 -2.73 0.62 0.00 -1.58 0.00 0.00 42.46 39.22 1bgs s ILE 10 CO -0.03 -0.61 1.53 0.54 -1.23 0.00 0.00 174.94 175.14 1bgs n ARG 11 N 4.27 3.49 -3.60 2.79 5.12 -1.26 -4.70 116.66 122.77 1bgs n ARG 11 Ca 0.04 -2.75 -0.04 0.00 -1.93 0.00 0.00 57.85 53.17 1bgs n ARG 11 Cb 0.42 -1.79 -0.02 0.00 -1.16 0.00 0.00 32.46 29.91 1bgs n ARG 11 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1bgs s SER 12 N -1.13 -0.14 0.40 0.55 1.04 -1.25 -4.88 113.70 108.29 1bgs s SER 12 Ca 0.45 -0.04 0.12 0.00 0.48 0.00 0.00 55.95 56.96 1bgs s SER 12 Cb 0.30 0.18 0.83 0.00 0.10 0.00 0.00 66.02 67.43 1bgs s SER 12 CO 0.19 -0.30 1.90 -0.29 0.98 0.00 0.00 173.24 175.72 1bgs h ILE 13 N 2.00 1.20 -0.46 -1.02 6.09 -1.87 0.13 117.51 123.58 1bgs h ILE 13 Ca -0.15 -0.92 0.03 0.00 -1.37 0.00 0.00 64.86 62.45 1bgs h ILE 13 Cb 1.18 1.45 -0.04 0.00 0.47 0.00 0.00 36.82 39.88 1bgs h ILE 13 CO 0.25 0.27 0.25 0.28 -3.07 0.00 0.00 178.15 176.13 1bgs h SER 14 N 0.06 0.38 -0.57 2.19 0.02 -1.97 0.15 113.55 113.81 1bgs h SER 14 Ca 0.01 0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 60.93 1bgs h SER 14 Cb 0.47 -0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.92 1bgs h SER 14 CO 0.03 0.27 0.20 0.44 -1.14 0.00 0.00 176.83 176.63 1bgs h ASP 15 N 0.50 0.85 -0.28 3.07 5.19 -1.16 -1.83 116.42 122.76 1bgs h ASP 15 Ca 0.19 -0.14 -0.01 0.00 -0.62 0.00 0.00 57.03 56.45 1bgs h ASP 15 Cb 0.06 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.34 1bgs h ASP 15 CO -0.11 0.80 0.11 0.25 -3.12 0.00 0.00 179.24 177.17 1bgs h LEU 16 N 0.89 0.38 -1.12 1.55 6.46 -0.04 -2.02 115.31 121.41 1bgs h LEU 16 Ca 0.20 -0.16 -0.09 0.00 -0.12 0.00 0.00 57.88 57.71 1bgs h LEU 16 Cb 0.25 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 40.07 1bgs h LEU 16 CO -0.01 0.43 -0.42 0.45 -0.62 0.00 0.00 178.44 178.28 1bgs h HIS 17 N 0.30 0.05 -0.13 1.25 3.86 -0.25 -0.99 115.15 119.24 1bgs h HIS 17 Ca 0.09 -0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.27 1bgs h HIS 17 Cb 0.17 -0.01 -0.00 0.00 1.06 0.00 0.00 27.41 28.62 1bgs h HIS 17 CO -0.01 0.45 0.01 1.96 0.86 0.00 0.00 177.93 181.21 1bgs h GLN 18 N 0.03 0.21 -0.04 2.45 1.08 -1.28 -0.37 115.11 117.21 1bgs h GLN 18 Ca -0.00 -0.06 0.03 0.00 -1.45 0.00 0.00 58.65 57.17 1bgs h GLN 18 Cb 0.75 -0.02 -0.04 0.00 -0.05 0.00 0.00 27.48 28.13 1bgs h GLN 18 CO 0.06 0.42 -0.16 1.15 -0.95 0.00 0.00 178.83 179.35 1bgs h THR 19 N -0.02 0.61 -0.99 -0.54 2.02 -1.17 -1.51 112.91 111.30 1bgs h THR 19 Ca 0.04 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.31 1bgs h THR 19 Cb 0.32 0.61 -0.07 0.00 -1.74 0.00 0.00 68.15 67.26 1bgs h THR 19 CO 0.00 0.00 0.64 0.25 0.37 0.00 0.00 175.52 176.78 1bgs h LEU 20 N -0.24 0.97 -0.35 2.58 5.85 -1.16 0.45 115.31 123.40 1bgs h LEU 20 Ca 0.06 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.83 1bgs h LEU 20 Cb 0.33 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 1bgs h LEU 20 CO -0.18 0.57 0.19 0.50 -0.34 0.00 0.00 178.44 179.19 1bgs h LYS 21 N 1.07 0.38 0.14 1.25 3.64 -0.08 0.88 116.57 123.85 1bgs h LYS 21 Ca 0.46 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.81 1bgs h LYS 21 Cb 0.33 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 1bgs h LYS 21 CO -0.21 0.25 -0.07 -0.22 -2.27 0.00 0.00 179.45 176.93 1bgs h LYS 22 N 0.39 -0.18 -0.68 1.90 1.63 -0.91 -1.25 116.57 117.47 1bgs h LYS 22 Ca 0.15 0.01 0.02 0.00 -0.85 0.00 0.00 60.65 59.97 1bgs h LYS 22 Cb 0.03 0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 31.67 1bgs h LYS 22 CO -0.09 0.26 0.45 0.93 -3.45 0.00 0.00 179.45 177.56 1bgs h GLU 23 N -0.73 0.86 -0.02 1.90 4.39 -0.92 -1.23 114.58 118.84 1bgs h GLU 23 Ca -0.02 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.63 1bgs h GLU 23 Cb 0.52 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 1bgs h GLU 23 CO 0.03 0.57 -0.25 1.28 -1.16 0.00 0.00 179.01 179.48 1bgs n LEU 24 N -4.44 2.41 -3.53 1.33 4.77 0.30 -4.60 117.00 113.24 1bgs n LEU 24 Ca 0.08 -0.84 -0.26 0.00 -0.03 0.00 0.00 56.01 54.96 1bgs n LEU 24 Cb 0.07 -0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.21 1bgs n LEU 24 CO 0.36 0.42 -0.03 0.00 -1.33 0.00 0.00 177.39 176.81 1bgs n ALA 25 N 0.56 -2.53 -1.92 -1.18 0.00 -0.46 -4.83 120.51 110.14 1bgs n ALA 25 Ca 0.12 -0.11 -0.31 0.00 0.00 0.00 0.00 53.44 53.14 1bgs n ALA 25 Cb 0.52 -4.67 -0.02 0.00 0.00 0.00 0.00 19.45 15.28 1bgs n ALA 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1bgs s LEU 26 N -6.06 3.54 0.76 0.00 1.02 -0.54 -4.99 118.68 112.41 1bgs s LEU 26 Ca 0.46 1.44 -0.15 0.00 0.02 0.00 0.00 54.13 55.90 1bgs s LEU 26 Cb -0.13 -4.40 0.04 0.00 0.02 0.00 0.00 46.19 41.72 1bgs s LEU 26 CO 0.82 -0.64 1.12 -0.81 0.02 0.00 0.00 176.35 176.86 1bgs n PRO 27 N -1.90 0.42 0.28 1.29 -0.04 -1.26 -4.89 135.00 128.90 1bgs n PRO 27 Ca 0.06 0.21 0.16 0.00 -0.04 0.00 0.00 63.50 63.89 1bgs n PRO 27 Cb 0.54 -2.37 0.79 0.00 -0.04 0.00 0.00 33.50 32.42 1bgs n PRO 27 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1bgs h GLU 28 N -0.49 0.00 -0.04 0.54 4.22 -2.00 -1.34 114.58 115.47 1bgs h GLU 28 Ca -0.47 0.00 0.00 0.00 0.08 0.00 0.00 59.36 58.97 1bgs h GLU 28 Cb 1.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.57 1bgs h GLU 28 CO 0.47 0.07 0.00 2.48 -2.18 0.00 0.00 179.01 179.85 1bgs n TYR 29 N -3.33 0.05 -1.64 0.92 0.18 -1.26 -4.95 117.16 107.13 1bgs n TYR 29 Ca -0.01 -0.02 -0.54 0.00 1.88 0.00 0.00 57.90 59.21 1bgs n TYR 29 Cb 0.24 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.14 1bgs n TYR 29 CO 0.00 0.00 0.00 0.98 -2.08 0.00 0.00 176.86 175.76 1bgs n TYR 30 N -0.41 1.72 1.76 -3.48 9.36 -0.51 -4.85 117.16 120.76 1bgs n TYR 30 Ca 0.18 0.59 0.15 0.00 3.32 0.00 0.00 57.90 62.14 1bgs n TYR 30 Cb 0.19 -2.38 0.75 0.00 -0.63 0.00 0.00 39.34 37.27 1bgs n TYR 30 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1bgs n GLY 31 N 3.15 -0.56 3.56 2.98 0.00 -1.26 -4.91 105.19 108.16 1bgs n GLY 31 Ca 0.21 -0.31 -0.21 0.00 0.00 0.00 0.00 46.02 45.72 1bgs n GLY 31 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1bgs n GLU 32 N -0.48 -4.28 -3.92 1.61 1.02 -1.26 -4.96 120.64 108.37 1bgs n GLU 32 Ca 0.22 0.69 -0.09 0.00 -0.02 0.00 0.00 57.16 57.95 1bgs n GLU 32 Cb 0.22 -5.30 -0.02 0.00 -0.02 0.00 0.00 31.44 26.33 1bgs n GLU 32 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1bgs s ASN 33 N -4.07 0.06 0.31 1.62 2.20 -1.26 -5.04 114.94 108.76 1bgs s ASN 33 Ca 0.15 -1.00 0.06 0.00 -0.94 0.00 0.00 52.86 51.12 1bgs s ASN 33 Cb -0.03 0.71 0.53 0.00 -2.00 0.00 0.00 41.25 40.46 1bgs s ASN 33 CO 0.79 -1.38 1.77 -0.07 -2.94 0.00 0.00 177.10 175.26 1bgs h LEU 34 N 2.09 0.33 -0.09 3.54 4.07 -1.99 -0.72 115.31 122.54 1bgs h LEU 34 Ca -0.26 -0.11 -0.24 0.00 0.08 0.00 0.00 57.88 57.34 1bgs h LEU 34 Cb 1.25 -0.09 0.01 0.00 1.08 0.00 0.00 40.66 42.91 1bgs h LEU 34 CO 0.34 0.60 -0.92 0.44 -1.08 0.00 0.00 178.44 177.83 1bgs h ASP 35 N 0.30 0.90 -0.72 -0.43 3.32 -1.98 -2.50 116.42 115.30 1bgs h ASP 35 Ca 0.04 -0.66 -0.07 0.00 0.02 0.00 0.00 57.03 56.37 1bgs h ASP 35 Cb 0.64 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.88 1bgs h ASP 35 CO 0.05 1.46 0.19 0.00 -1.72 0.00 0.00 179.24 179.22 1bgs h ALA 36 N 0.50 0.95 -0.42 3.45 0.00 -1.90 -1.79 119.26 120.04 1bgs h ALA 36 Ca -0.09 -0.24 -0.12 0.00 0.00 0.00 0.00 54.91 54.46 1bgs h ALA 36 Cb 1.56 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1bgs h ALA 36 CO 0.18 0.66 -0.21 1.25 0.00 0.00 0.00 179.25 181.14 1bgs h LEU 37 N 1.09 0.86 0.07 0.00 5.85 -1.12 -1.31 115.31 120.75 1bgs h LEU 37 Ca 0.23 -0.31 0.00 0.00 0.84 0.00 0.00 57.88 58.64 1bgs h LEU 37 Cb 0.35 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 1bgs h LEU 37 CO -0.00 1.04 -0.07 -0.25 -0.34 0.00 0.00 178.44 178.83 1bgs h TRP 38 N 0.74 -0.17 -0.99 1.25 2.91 -1.06 -0.53 115.95 118.10 1bgs h TRP 38 Ca 0.10 0.00 0.09 0.00 1.13 0.00 0.00 58.89 60.21 1bgs h TRP 38 Cb 0.74 0.07 -0.07 0.00 -0.51 0.00 0.00 29.16 29.38 1bgs h TRP 38 CO 0.04 -0.11 0.63 0.22 -1.03 0.00 0.00 178.44 178.20 1bgs h ASP 39 N -0.15 0.97 -0.25 2.65 3.58 -1.20 0.66 116.42 122.68 1bgs h ASP 39 Ca 0.00 0.03 -0.18 0.00 0.42 0.00 0.00 57.03 57.30 1bgs h ASP 39 Cb 0.14 -0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.02 1bgs h ASP 39 CO -0.02 0.58 -0.57 0.00 -2.88 0.00 0.00 179.24 176.35 1bgs h ALA 40 N 1.49 0.40 -0.31 -0.78 0.00 -0.73 0.83 119.26 120.16 1bgs h ALA 40 Ca 0.46 -0.52 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 1bgs h ALA 40 Cb 0.31 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1bgs h ALA 40 CO -0.21 0.63 -0.18 -0.07 0.00 0.00 0.00 179.25 179.41 1bgs h LEU 41 N 0.58 0.57 -0.67 0.00 4.07 0.12 -1.32 115.31 118.66 1bgs h LEU 41 Ca -0.00 -0.18 0.00 0.00 0.08 0.00 0.00 57.88 57.78 1bgs h LEU 41 Cb 1.18 -0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.77 1bgs h LEU 41 CO 0.12 0.76 -0.36 0.35 -1.08 0.00 0.00 178.44 178.24 1bgs n THR 42 N -4.15 0.00 -2.30 0.22 -2.24 0.10 -4.48 114.28 101.44 1bgs n THR 42 Ca 0.00 -0.17 -0.03 0.00 -2.27 0.00 0.00 64.05 61.58 1bgs n THR 42 Cb 0.38 0.73 -0.01 0.00 -2.10 0.00 0.00 70.33 69.33 1bgs n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1bgs n GLY 43 N 1.37 0.95 0.47 3.38 0.00 0.28 -4.98 105.19 106.66 1bgs n GLY 43 Ca 0.11 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1bgs n GLY 43 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1bgs n TRP 44 N -0.10 -0.58 -2.33 1.61 -0.00 -0.76 -4.89 117.44 110.38 1bgs n TRP 44 Ca -0.14 0.00 -0.38 0.00 -0.00 0.00 0.00 57.50 56.98 1bgs n TRP 44 Cb 0.86 0.12 -0.02 0.00 -0.00 0.00 0.00 31.31 32.27 1bgs n TRP 44 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 177.69 177.77 1bgs s VAL 45 N -1.24 3.22 0.07 5.87 1.01 -0.57 -5.01 120.40 123.76 1bgs s VAL 45 Ca 0.00 1.04 -0.30 0.00 0.00 0.00 0.00 61.98 62.72 1bgs s VAL 45 Cb 0.00 -3.59 -0.05 0.00 0.00 0.00 0.00 36.38 32.74 1bgs s VAL 45 CO 0.00 0.11 0.98 -0.70 0.00 0.00 0.00 175.10 175.49 1bgs s GLU 46 N -2.22 4.64 0.37 2.72 2.12 -1.26 -5.00 118.70 120.07 1bgs s GLU 46 Ca 0.56 1.46 0.08 0.00 0.36 0.00 0.00 54.97 57.43 1bgs s GLU 46 Cb -0.30 -3.40 -0.05 0.00 0.26 0.00 0.00 34.13 30.64 1bgs s GLU 46 CO 0.38 0.11 0.12 0.71 -0.54 0.00 0.00 175.26 176.04 1bgs s TYR 47 N 0.36 2.63 0.38 5.30 2.02 -1.26 -4.36 117.35 122.42 1bgs s TYR 47 Ca 0.49 -0.47 -0.23 0.00 -0.37 0.00 0.00 57.07 56.49 1bgs s TYR 47 Cb -0.23 -1.71 -0.14 0.00 -0.40 0.00 0.00 41.96 39.48 1bgs s TYR 47 CO 0.29 0.32 0.53 -0.35 -1.57 0.00 0.00 175.55 174.78 1bgs n PRO 48 N -1.13 0.51 -4.65 -1.71 -0.04 -1.26 -4.99 135.00 121.73 1bgs n PRO 48 Ca -0.03 0.19 -0.23 0.00 -0.04 0.00 0.00 63.50 63.38 1bgs n PRO 48 Cb 0.63 -1.42 -0.16 0.00 -0.04 0.00 0.00 33.50 32.51 1bgs n PRO 48 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1bgs s LEU 49 N 2.08 1.88 -0.31 1.53 2.96 -0.41 -4.34 118.68 122.07 1bgs s LEU 49 Ca 0.62 -0.28 0.00 0.00 -0.22 0.00 0.00 54.13 54.26 1bgs s LEU 49 Cb -0.65 -0.79 0.07 0.00 0.50 0.00 0.00 46.19 45.32 1bgs s LEU 49 CO 0.59 0.12 -0.00 -0.69 -1.32 0.00 0.00 176.35 175.05 1bgs s VAL 50 N 0.04 2.70 -0.06 1.68 1.01 -0.29 -1.33 120.40 124.14 1bgs s VAL 50 Ca -0.02 -1.66 -0.21 0.00 0.00 0.00 0.00 61.98 60.08 1bgs s VAL 50 Cb -0.10 -2.65 -0.04 0.00 0.00 0.00 0.00 36.38 33.59 1bgs s VAL 50 CO 0.01 -0.22 0.60 -0.22 0.00 0.00 0.00 175.10 175.27 1bgs s LEU 51 N 1.15 4.33 -0.27 3.92 2.96 0.43 -1.33 118.68 129.88 1bgs s LEU 51 Ca -0.03 1.07 0.03 0.00 -0.22 0.00 0.00 54.13 54.98 1bgs s LEU 51 Cb -0.20 -2.92 0.07 0.00 0.50 0.00 0.00 46.19 43.64 1bgs s LEU 51 CO -0.03 -0.02 -0.07 -0.70 -1.32 0.00 0.00 176.35 174.21 1bgs s GLU 52 N 0.45 2.01 -0.25 1.98 2.12 -0.46 -1.24 118.70 123.31 1bgs s GLU 52 Ca 0.32 -1.38 -0.06 0.00 0.36 0.00 0.00 54.97 54.21 1bgs s GLU 52 Cb -0.17 -2.89 -0.01 0.00 0.26 0.00 0.00 34.13 31.32 1bgs s GLU 52 CO 0.15 -0.64 0.04 -0.46 -0.54 0.00 0.00 175.26 173.81 1bgs s TRP 53 N 1.12 3.06 0.14 5.30 -0.11 0.44 -1.51 118.94 127.38 1bgs s TRP 53 Ca -0.05 -0.70 0.04 0.00 1.22 0.00 0.00 56.10 56.61 1bgs s TRP 53 Cb -0.20 -2.20 -0.04 0.00 -1.50 0.00 0.00 33.47 29.54 1bgs s TRP 53 CO -0.06 -0.46 0.13 1.03 -4.62 0.00 0.00 176.95 172.97 1bgs s ARG 54 N 1.55 2.92 -1.45 5.86 0.52 -0.37 -0.90 118.95 127.07 1bgs s ARG 54 Ca 0.05 -0.82 -0.08 0.00 -0.52 0.00 0.00 55.73 54.37 1bgs s ARG 54 Cb -0.15 -2.68 0.05 0.00 0.52 0.00 0.00 34.95 32.69 1bgs s ARG 54 CO 0.01 0.50 0.79 1.04 0.02 0.00 0.00 175.30 177.67 1bgs n GLN 55 N -0.18 -4.80 -0.22 3.54 1.13 -1.02 -0.42 117.38 115.41 1bgs n GLN 55 Ca -0.08 0.56 0.11 0.00 -1.94 0.00 0.00 57.00 55.65 1bgs n GLN 55 Cb 0.54 -5.21 0.40 0.00 0.11 0.00 0.00 30.24 26.08 1bgs n GLN 55 CO 0.00 0.00 0.00 0.35 -1.44 0.00 0.00 177.06 175.97 1bgs h PHE 56 N -1.93 0.73 0.00 1.08 3.57 -1.75 -2.06 116.94 116.58 1bgs h PHE 56 Ca -0.60 0.02 -0.17 0.00 3.53 0.00 0.00 57.97 60.75 1bgs h PHE 56 Cb 1.37 -0.23 -0.02 0.00 2.79 0.00 0.00 35.95 39.85 1bgs h PHE 56 CO 0.53 0.31 -0.83 0.93 -2.23 0.00 0.00 178.31 177.01 1bgs h GLU 57 N 0.65 0.00 -0.67 1.11 4.39 -1.90 -1.23 114.58 116.93 1bgs h GLU 57 Ca 0.39 0.00 0.03 0.00 0.34 0.00 0.00 59.36 60.13 1bgs h GLU 57 Cb 0.62 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.22 1bgs h GLU 57 CO -0.16 0.83 0.41 1.96 -1.16 0.00 0.00 179.01 180.90 1bgs h GLN 58 N 0.00 0.78 -0.16 2.33 1.08 -1.68 -0.71 115.11 116.75 1bgs h GLN 58 Ca -0.01 -0.05 -0.04 0.00 -1.45 0.00 0.00 58.65 57.10 1bgs h GLN 58 Cb 1.55 -0.18 -0.00 0.00 -0.05 0.00 0.00 27.48 28.80 1bgs h GLN 58 CO 0.11 0.52 -0.06 0.66 -0.95 0.00 0.00 178.83 179.10 1bgs h SER 59 N 0.80 0.33 -0.86 1.46 4.64 -1.40 -2.55 113.55 115.98 1bgs h SER 59 Ca 0.28 -0.39 0.17 0.00 -0.47 0.00 0.00 61.79 61.37 1bgs h SER 59 Cb 0.04 -0.09 -0.10 0.00 -0.31 0.00 0.00 62.40 61.94 1bgs h SER 59 CO -0.12 0.65 0.42 0.50 -0.87 0.00 0.00 176.83 177.42 1bgs h LYS 60 N 0.01 0.53 0.52 4.77 3.64 -0.91 -0.67 116.57 124.46 1bgs h LYS 60 Ca 0.04 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 1bgs h LYS 60 Cb 0.52 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 1bgs h LYS 60 CO 0.02 0.35 -0.36 1.96 -2.27 0.00 0.00 179.45 179.15 1bgs h GLN 61 N 0.54 -0.82 -0.20 1.90 4.20 -1.04 -2.45 115.11 117.24 1bgs h GLN 61 Ca 0.50 0.06 0.00 0.00 0.06 0.00 0.00 58.65 59.26 1bgs h GLN 61 Cb 0.80 0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.76 1bgs h GLN 61 CO -0.42 -0.55 0.00 1.28 -0.67 0.00 0.00 178.83 178.47 1bgs n LEU 62 N -5.49 1.06 -0.39 1.46 4.32 -0.36 -3.05 117.00 114.56 1bgs n LEU 62 Ca -0.12 -0.53 0.03 0.00 -0.02 0.00 0.00 56.01 55.37 1bgs n LEU 62 Cb 0.38 -0.13 0.09 0.00 -1.62 0.00 0.00 43.42 42.14 1bgs n LEU 62 CO 0.33 0.27 0.56 0.35 -1.22 0.00 0.00 177.39 177.67 1bgs n THR 63 N 0.08 0.90 -3.87 -5.08 -2.24 -0.60 -3.76 114.28 99.72 1bgs n THR 63 Ca 0.07 -0.95 -0.25 0.00 -2.27 0.00 0.00 64.05 60.65 1bgs n THR 63 Cb 0.17 0.56 0.00 0.00 -2.10 0.00 0.00 70.33 68.96 1bgs n THR 63 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1bgs n GLU 64 N 0.16 -4.07 -1.84 -0.78 2.13 -1.17 -1.24 120.64 113.83 1bgs n GLU 64 Ca 0.07 0.50 -0.18 0.00 0.66 0.00 0.00 57.16 58.21 1bgs n GLU 64 Cb 0.34 -4.88 -0.05 0.00 0.27 0.00 0.00 31.44 27.12 1bgs n GLU 64 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1bgs n ASN 65 N -2.98 -4.98 0.13 4.31 5.03 -0.92 -4.85 115.26 110.99 1bgs n ASN 65 Ca -0.26 0.31 0.01 0.00 0.87 0.00 0.00 54.58 55.51 1bgs n ASN 65 Cb 0.66 -4.35 0.33 0.00 -1.02 0.00 0.00 39.78 35.40 1bgs n ASN 65 CO 0.00 0.00 0.00 1.23 -1.83 0.00 0.00 177.26 176.66 1bgs h GLY 66 N 0.00 0.18 0.01 7.41 0.00 -1.43 -2.83 103.07 106.42 1bgs h GLY 66 Ca -0.40 -0.14 0.23 0.00 0.00 0.00 0.00 47.33 47.03 1bgs h GLY 66 CO 0.54 0.13 0.63 0.00 0.00 0.00 0.00 176.54 177.83 1bgs h ALA 67 N 1.56 1.99 -0.16 3.60 0.00 -1.85 0.12 119.26 124.51 1bgs h ALA 67 Ca 0.02 0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 1bgs h ALA 67 Cb 0.59 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1bgs h ALA 67 CO 0.04 -0.37 -0.46 1.49 0.00 0.00 0.00 179.25 179.95 1bgs h GLU 68 N 0.54 0.40 -0.13 0.00 4.57 -1.87 -2.43 114.58 115.66 1bgs h GLU 68 Ca 0.58 -0.22 -0.10 0.00 -1.18 0.00 0.00 59.36 58.44 1bgs h GLU 68 Cb 1.22 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.81 1bgs h GLU 68 CO -0.33 0.78 -0.38 0.77 -1.18 0.00 0.00 179.01 178.67 1bgs h SER 69 N 0.32 0.28 1.10 1.04 0.02 -0.83 -2.64 113.55 112.85 1bgs h SER 69 Ca 0.02 -0.11 -0.16 0.00 -0.84 0.00 0.00 61.79 60.69 1bgs h SER 69 Cb 0.94 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 63.37 1bgs h SER 69 CO 0.08 0.64 -0.94 -0.37 -1.14 0.00 0.00 176.83 175.10 1bgs h VAL 70 N 0.23 1.00 -0.56 2.27 -1.51 -1.18 -2.84 116.25 113.67 1bgs h VAL 70 Ca 0.02 -2.53 -0.02 0.00 -1.23 0.00 0.00 66.70 62.95 1bgs h VAL 70 Cb 0.78 2.45 -0.03 0.00 -2.13 0.00 0.00 31.29 32.36 1bgs h VAL 70 CO 0.06 0.57 0.25 0.25 -1.23 0.00 0.00 177.57 177.47 1bgs h LEU 71 N 0.00 0.71 -0.59 4.19 5.85 -1.29 -1.66 115.31 122.52 1bgs h LEU 71 Ca -0.07 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 1bgs h LEU 71 Cb 1.59 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 42.43 1bgs h LEU 71 CO 0.08 0.62 -0.04 1.56 -0.34 0.00 0.00 178.44 180.32 1bgs h GLN 72 N 0.79 0.00 -0.42 1.25 7.50 -1.39 -1.55 115.11 121.29 1bgs h GLN 72 Ca 0.19 0.00 -0.14 0.00 0.50 0.00 0.00 58.65 59.20 1bgs h GLN 72 Cb 0.11 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.63 1bgs h GLN 72 CO -0.02 0.04 -0.30 0.28 -1.50 0.00 0.00 178.83 177.33 1bgs h VAL 73 N 0.00 1.27 -0.25 -0.54 2.07 -1.07 -0.32 116.25 117.41 1bgs h VAL 73 Ca -0.00 -1.47 -0.03 0.00 0.82 0.00 0.00 66.70 66.02 1bgs h VAL 73 Cb 0.83 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.87 1bgs h VAL 73 CO 0.01 0.50 0.02 -0.26 0.02 0.00 0.00 177.57 177.85 1bgs h PHE 74 N 0.78 0.37 -0.01 1.57 0.04 -1.11 -0.43 116.94 118.15 1bgs h PHE 74 Ca 0.08 -0.02 -0.25 0.00 2.80 0.00 0.00 57.97 60.58 1bgs h PHE 74 Cb 0.89 -0.11 0.02 0.00 2.20 0.00 0.00 35.95 38.94 1bgs h PHE 74 CO 0.06 0.37 -0.96 0.00 -0.60 0.00 0.00 178.31 177.17 1bgs h ARG 75 N 0.36 0.66 -0.63 1.51 3.08 -0.94 -2.02 114.38 116.40 1bgs h ARG 75 Ca 0.08 -0.70 0.01 0.00 0.07 0.00 0.00 59.98 59.44 1bgs h ARG 75 Cb 0.22 0.20 -0.03 0.00 0.08 0.00 0.00 29.97 30.43 1bgs h ARG 75 CO 0.00 1.29 0.41 0.93 -1.07 0.00 0.00 179.97 181.54 1bgs h GLU 76 N 0.32 0.83 -0.73 0.04 5.08 -0.70 -1.02 114.58 118.40 1bgs h GLU 76 Ca -0.12 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.17 1bgs h GLU 76 Cb 1.62 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 30.65 1bgs h GLU 76 CO 0.19 0.55 0.39 0.00 -1.00 0.00 0.00 179.01 179.14 1bgs h ALA 77 N 1.23 1.31 -0.20 3.43 0.00 -1.08 0.09 119.26 124.04 1bgs h ALA 77 Ca 0.23 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1bgs h ALA 77 Cb -0.09 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 1bgs h ALA 77 CO -0.05 0.55 0.05 -0.22 0.00 0.00 0.00 179.25 179.59 1bgs h LYS 78 N 1.01 0.32 0.00 0.00 3.64 -1.12 -2.05 116.57 118.37 1bgs h LYS 78 Ca 0.26 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.55 1bgs h LYS 78 Cb 0.04 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1bgs h LYS 78 CO -0.04 0.44 -0.08 0.00 -2.27 0.00 0.00 179.45 177.50 1bgs h ALA 79 N 0.87 1.49 -0.00 5.00 0.00 -0.28 0.63 119.26 126.96 1bgs h ALA 79 Ca 0.06 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1bgs h ALA 79 Cb 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1bgs h ALA 79 CO 0.00 0.09 -0.01 0.39 0.00 0.00 0.00 179.25 179.73 1bgs n GLU 80 N -3.89 0.44 0.00 0.00 1.02 -0.07 -4.89 120.64 113.26 1bgs n GLU 80 Ca -0.02 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 1bgs n GLU 80 Cb 0.17 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.09 1bgs n GLU 80 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1bgs n GLY 81 N 1.29 1.50 3.76 0.62 0.00 0.21 -5.09 105.19 107.48 1bgs n GLY 81 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 1bgs n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bgs s ALA 82 N -1.43 3.66 -1.27 4.61 0.00 -0.82 -4.92 121.76 121.59 1bgs s ALA 82 Ca 0.00 1.50 -0.16 0.00 0.00 0.00 0.00 51.96 53.30 1bgs s ALA 82 Cb 0.00 -3.61 0.11 0.00 0.00 0.00 0.00 23.12 19.63 1bgs s ALA 82 CO 0.00 -0.93 1.63 -3.47 0.00 0.00 0.00 175.76 172.99 1bgs n ASP 83 N 1.61 5.03 -4.36 0.00 2.03 -1.26 -4.41 116.55 115.19 1bgs n ASP 83 Ca 0.05 -2.95 -0.32 0.00 0.52 0.00 0.00 54.79 52.10 1bgs n ASP 83 Cb 0.39 -1.67 -0.15 0.00 -0.72 0.00 0.00 41.12 38.97 1bgs n ASP 83 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1bgs s ILE 84 N 2.99 2.42 -0.14 5.18 1.01 -1.26 -1.29 121.20 130.10 1bgs s ILE 84 Ca 0.49 -0.96 0.01 0.00 0.00 0.00 0.00 60.65 60.18 1bgs s ILE 84 Cb 0.02 -1.89 -0.01 0.00 0.01 0.00 0.00 42.46 40.59 1bgs s ILE 84 CO 0.04 0.58 -0.16 -0.89 0.00 0.00 0.00 174.94 174.51 1bgs s THR 85 N -0.53 2.71 -0.17 2.92 2.01 -0.44 -4.99 115.64 117.15 1bgs s THR 85 Ca 0.07 -0.77 -0.03 0.00 0.31 0.00 0.00 61.69 61.27 1bgs s THR 85 Cb -0.11 -2.13 -0.02 0.00 0.01 0.00 0.00 72.50 70.25 1bgs s THR 85 CO 0.01 0.52 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.78 1bgs s ILE 86 N 0.63 3.64 -0.29 1.82 1.01 -1.26 -0.43 121.20 126.33 1bgs s ILE 86 Ca -0.08 -0.43 0.03 0.00 0.00 0.00 0.00 60.65 60.16 1bgs s ILE 86 Cb -0.16 -2.61 0.07 0.00 0.01 0.00 0.00 42.46 39.78 1bgs s ILE 86 CO 0.03 0.47 -0.06 -0.63 0.00 0.00 0.00 174.94 174.75 1bgs s ILE 87 N 0.73 2.18 -0.37 2.92 1.01 -0.38 -5.00 121.20 122.29 1bgs s ILE 87 Ca -0.02 -1.86 -0.18 0.00 0.00 0.00 0.00 60.65 58.59 1bgs s ILE 87 Cb -0.15 -2.40 0.00 0.00 0.01 0.00 0.00 42.46 39.93 1bgs s ILE 87 CO 0.02 -0.22 0.50 -0.76 0.00 0.00 0.00 174.94 174.49 1bgs s LEU 88 N 1.04 4.44 0.00 2.97 1.43 -1.26 -0.42 118.68 126.88 1bgs s LEU 88 Ca -0.02 -0.16 0.00 0.00 -1.03 0.00 0.00 54.13 52.91 1bgs s LEU 88 Cb -0.20 -2.55 0.00 0.00 0.03 0.00 0.00 46.19 43.47 1bgs s LEU 88 CO -0.06 -0.51 0.07 -1.54 0.23 0.00 0.00 176.35 174.54