#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bvg s GLN 2 N 0.00 4.53 -0.22 -0.52 0.74 -1.26 -5.04 119.66 117.89 1bvg s GLN 2 Ca 0.00 1.12 -0.04 0.00 0.05 0.00 0.00 55.36 56.48 1bvg s GLN 2 Cb 0.00 -3.28 0.07 0.00 1.10 0.00 0.00 33.01 30.90 1bvg s GLN 2 CO 0.00 0.52 0.09 0.08 -0.55 0.00 0.00 175.29 175.44 1bvg s VAL 3 N -0.94 0.06 0.00 1.34 1.01 -1.26 -5.01 120.40 115.61 1bvg s VAL 3 Ca 0.36 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.87 1bvg s VAL 3 Cb -0.22 -0.83 0.00 0.00 0.00 0.00 0.00 36.38 35.33 1bvg s VAL 3 CO 0.25 -0.43 0.00 0.35 0.00 0.00 0.00 175.10 175.28 1bvg n THR 4 N 5.21 0.00 -3.97 3.92 -2.24 -1.26 -4.90 114.28 111.04 1bvg n THR 4 Ca -0.07 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.39 1bvg n THR 4 Cb 0.46 -0.84 -0.06 0.00 -2.10 0.00 0.00 70.33 67.79 1bvg n THR 4 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1bvg n LEU 5 N -2.01 -0.62 -2.34 3.22 4.77 -1.26 -2.41 117.00 116.34 1bvg n LEU 5 Ca 0.00 -0.84 0.00 0.00 -0.03 0.00 0.00 56.01 55.14 1bvg n LEU 5 Cb 0.00 -1.40 0.00 0.00 -2.33 0.00 0.00 43.42 39.69 1bvg n LEU 5 CO 0.00 0.07 0.00 0.79 -1.33 0.00 0.00 177.39 176.92 1bvg n TRP 6 N -3.56 0.00 -2.84 -1.77 7.02 -1.26 -4.69 117.44 110.34 1bvg n TRP 6 Ca 0.09 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.57 1bvg n TRP 6 Cb 0.44 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.33 1bvg n TRP 6 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 177.69 176.71 1bvg n GLN 7 N -0.89 0.00 -2.33 -0.99 6.02 -1.01 -5.11 117.38 113.07 1bvg n GLN 7 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.56 1bvg n GLN 7 Cb 0.00 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.24 1bvg n GLN 7 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1bvg s ARG 8 N -1.20 4.24 -1.30 -1.09 0.52 -1.26 -4.91 118.95 113.95 1bvg s ARG 8 Ca 0.00 1.79 -0.17 0.00 -0.52 0.00 0.00 55.73 56.83 1bvg s ARG 8 Cb 0.00 -3.77 0.01 0.00 0.52 0.00 0.00 34.95 31.71 1bvg s ARG 8 CO 0.00 -0.70 2.06 -0.35 0.02 0.00 0.00 175.30 176.33 1bvg n PRO 9 N 6.47 2.63 -2.47 3.54 -0.04 -1.26 -4.96 135.00 138.91 1bvg n PRO 9 Ca 0.14 -2.62 -0.32 0.00 -0.04 0.00 0.00 63.50 60.67 1bvg n PRO 9 Cb 0.44 -3.30 -0.03 0.00 -0.04 0.00 0.00 33.50 30.57 1bvg n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1bvg s LEU 10 N 2.99 3.66 -0.07 1.53 1.43 -1.26 -1.97 118.68 124.99 1bvg s LEU 10 Ca 0.51 1.51 -0.03 0.00 -1.03 0.00 0.00 54.13 55.09 1bvg s LEU 10 Cb 0.11 -4.44 0.04 0.00 0.03 0.00 0.00 46.19 41.93 1bvg s LEU 10 CO -0.01 -0.56 0.15 0.68 0.23 0.00 0.00 176.35 176.85 1bvg s VAL 11 N -2.58 -0.04 -0.39 -1.59 -7.23 -0.29 -4.89 120.40 103.39 1bvg s VAL 11 Ca 0.58 0.15 -0.28 0.00 -1.81 0.00 0.00 61.98 60.62 1bvg s VAL 11 Cb -0.10 -0.25 -0.02 0.00 0.56 0.00 0.00 36.38 36.58 1bvg s VAL 11 CO 0.31 0.06 1.77 -0.89 -0.31 0.00 0.00 175.10 176.04 1bvg s THR 12 N 1.01 3.50 0.17 5.32 2.01 -1.26 -1.54 115.64 124.84 1bvg s THR 12 Ca -0.08 0.48 -0.03 0.00 0.31 0.00 0.00 61.69 62.37 1bvg s THR 12 Cb -0.10 -3.76 -0.05 0.00 0.01 0.00 0.00 72.50 68.60 1bvg s THR 12 CO -0.05 -0.54 0.38 0.27 -0.69 0.00 0.00 174.62 173.99 1bvg s ILE 13 N 7.15 5.18 -0.51 1.82 -4.36 -0.90 -4.22 121.20 125.37 1bvg s ILE 13 Ca 0.75 -0.14 0.01 0.00 -0.26 0.00 0.00 60.65 61.02 1bvg s ILE 13 Cb -0.20 -3.67 0.13 0.00 1.25 0.00 0.00 42.46 39.98 1bvg s ILE 13 CO 0.31 -0.06 0.27 -0.75 0.24 0.00 0.00 174.94 174.96 1bvg s LYS 14 N -2.95 2.06 -0.22 0.37 2.20 -0.82 -2.83 119.74 117.56 1bvg s LYS 14 Ca 0.40 -2.40 -0.05 0.00 -0.36 0.00 0.00 55.97 53.56 1bvg s LYS 14 Cb -0.12 -3.44 -0.02 0.00 -1.51 0.00 0.00 37.83 32.74 1bvg s LYS 14 CO 0.27 -1.10 -0.01 0.42 -0.36 0.00 0.00 175.35 174.57 1bvg s ILE 15 N 0.10 3.71 -1.18 5.43 1.01 -0.81 -2.28 121.20 127.18 1bvg s ILE 15 Ca 0.15 -0.38 -0.03 0.00 0.00 0.00 0.00 60.65 60.39 1bvg s ILE 15 Cb -0.23 -2.70 -0.02 0.00 0.01 0.00 0.00 42.46 39.53 1bvg s ILE 15 CO -0.03 0.41 0.90 0.61 0.00 0.00 0.00 174.94 176.83 1bvg n GLY 16 N 4.68 -0.61 2.58 6.18 0.00 -1.26 -0.91 105.19 115.85 1bvg n GLY 16 Ca -0.17 0.26 -0.11 0.00 0.00 0.00 0.00 46.02 46.00 1bvg n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bvg n GLY 17 N -1.29 1.02 3.85 -0.02 0.00 -1.26 -4.92 105.19 102.57 1bvg n GLY 17 Ca -0.22 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.58 1bvg n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1bvg s GLN 18 N -2.80 2.44 -0.18 1.61 -1.52 -0.09 -5.12 119.66 114.00 1bvg s GLN 18 Ca 0.00 -1.64 -0.09 0.00 -1.95 0.00 0.00 55.36 51.68 1bvg s GLN 18 Cb 0.00 -2.27 0.06 0.00 -0.22 0.00 0.00 33.01 30.58 1bvg s GLN 18 CO 0.00 -0.22 0.41 -0.51 -0.25 0.00 0.00 175.29 174.72 1bvg s LEU 19 N -4.10 -0.20 0.21 2.90 1.43 -1.26 -1.92 118.68 115.74 1bvg s LEU 19 Ca 0.46 0.92 -0.12 0.00 -1.03 0.00 0.00 54.13 54.35 1bvg s LEU 19 Cb -0.02 1.36 -0.00 0.00 0.03 0.00 0.00 46.19 47.56 1bvg s LEU 19 CO 0.26 -0.20 0.42 -0.54 0.23 0.00 0.00 176.35 176.52 1bvg s LYS 20 N 1.62 1.40 -0.01 1.70 1.02 -1.13 -4.97 119.74 119.37 1bvg s LYS 20 Ca -0.08 -1.18 -0.30 0.00 0.02 0.00 0.00 55.97 54.43 1bvg s LYS 20 Cb -0.09 0.45 -0.03 0.00 -0.52 0.00 0.00 37.83 37.64 1bvg s LYS 20 CO -0.13 -0.57 1.00 -1.21 -0.92 0.00 0.00 175.35 173.52 1bvg s GLU 21 N -3.98 4.53 -0.22 1.68 2.02 -1.26 -2.12 118.70 119.35 1bvg s GLU 21 Ca 0.19 1.44 -0.05 0.00 0.02 0.00 0.00 54.97 56.57 1bvg s GLU 21 Cb 0.01 -3.47 -0.02 0.00 0.10 0.00 0.00 34.13 30.75 1bvg s GLU 21 CO 0.05 -0.10 -0.01 0.00 0.02 0.00 0.00 175.26 175.21 1bvg s ALA 22 N 1.15 2.94 -0.76 5.21 0.00 -0.59 -3.63 121.76 126.07 1bvg s ALA 22 Ca 0.52 -1.10 -0.27 0.00 0.00 0.00 0.00 51.96 51.12 1bvg s ALA 22 Cb -0.21 -1.78 0.03 0.00 0.00 0.00 0.00 23.12 21.16 1bvg s ALA 22 CO 0.27 -0.33 1.31 -1.17 0.00 0.00 0.00 175.76 175.84 1bvg s LEU 23 N 1.32 3.20 -0.91 0.00 2.96 0.49 -1.13 118.68 124.60 1bvg s LEU 23 Ca 0.04 -0.53 -0.23 0.00 -0.22 0.00 0.00 54.13 53.19 1bvg s LEU 23 Cb -0.15 -2.56 -0.23 0.00 0.50 0.00 0.00 46.19 43.75 1bvg s LEU 23 CO -0.00 -1.82 2.45 0.18 -1.32 0.00 0.00 176.35 175.84 1bvg n LEU 24 N 9.41 0.16 -4.20 -0.68 4.77 -0.83 -3.14 117.00 122.48 1bvg n LEU 24 Ca 0.06 -0.33 -0.40 0.00 -0.03 0.00 0.00 56.01 55.31 1bvg n LEU 24 Cb 0.49 -0.96 -0.04 0.00 -2.33 0.00 0.00 43.42 40.57 1bvg n LEU 24 CO 0.70 -1.28 0.45 -0.62 -1.33 0.00 0.00 177.39 175.31 1bvg s ASP 25 N 6.74 6.39 0.15 -1.43 -1.08 -0.72 -4.79 116.67 121.93 1bvg s ASP 25 Ca 1.25 -3.45 0.15 0.00 -0.52 0.00 0.00 52.55 49.98 1bvg s ASP 25 Cb -0.86 -2.03 0.70 0.00 -1.46 0.00 0.00 42.92 39.27 1bvg s ASP 25 CO 0.44 -0.29 1.45 0.41 0.52 0.00 0.00 175.17 177.71 1bvg n THR 26 N 2.79 1.24 -0.09 1.71 -1.04 -1.25 -2.01 114.28 115.63 1bvg n THR 26 Ca 0.19 0.46 -0.12 0.00 -2.04 0.00 0.00 64.05 62.54 1bvg n THR 26 Cb 0.39 -1.39 -0.05 0.00 -1.82 0.00 0.00 70.33 67.46 1bvg n THR 26 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1bvg h GLY 27 N 1.03 0.56 -1.15 3.41 0.00 -1.88 -3.42 103.07 101.62 1bvg h GLY 27 Ca 0.00 -0.49 -0.49 0.00 0.00 0.00 0.00 47.33 46.35 1bvg h GLY 27 CO 0.00 0.44 0.25 0.00 0.00 0.00 0.00 176.54 177.23 1bvg s ALA 28 N -4.64 1.55 -0.62 3.60 0.00 -0.85 -4.94 121.76 115.85 1bvg s ALA 28 Ca -0.13 0.05 0.21 0.00 0.00 0.00 0.00 51.96 52.09 1bvg s ALA 28 Cb 0.07 -3.23 -0.26 0.00 0.00 0.00 0.00 23.12 19.70 1bvg s ALA 28 CO 0.77 -2.36 0.75 -0.25 0.00 0.00 0.00 175.76 174.67 1bvg n ASP 29 N -3.91 0.61 -2.59 0.00 9.92 -1.26 -2.48 116.55 116.84 1bvg n ASP 29 Ca 0.08 -0.60 -0.13 0.00 -0.53 0.00 0.00 54.79 53.61 1bvg n ASP 29 Cb 0.54 1.36 -0.04 0.00 -0.64 0.00 0.00 41.12 42.34 1bvg n ASP 29 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1bvg n ASP 30 N -1.80 0.33 -4.21 -2.24 8.00 -1.26 -1.46 116.55 113.91 1bvg n ASP 30 Ca 0.01 -2.28 -0.42 0.00 0.71 0.00 0.00 54.79 52.81 1bvg n ASP 30 Cb 0.42 0.80 -0.06 0.00 -0.02 0.00 0.00 41.12 42.26 1bvg n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1bvg s THR 31 N -2.62 4.64 0.92 -3.53 2.01 -1.16 0.44 115.64 116.33 1bvg s THR 31 Ca 0.18 -2.61 -0.12 0.00 0.31 0.00 0.00 61.69 59.45 1bvg s THR 31 Cb 0.01 -3.94 0.14 0.00 0.01 0.00 0.00 72.50 68.72 1bvg s THR 31 CO 0.13 -0.94 1.11 0.54 -0.69 0.00 0.00 174.62 174.77 1bvg s VAL 32 N 0.19 2.33 -0.29 3.82 0.11 0.45 -1.12 120.40 125.89 1bvg s VAL 32 Ca 0.16 0.11 -0.15 0.00 -2.93 0.00 0.00 61.98 59.17 1bvg s VAL 32 Cb -0.16 -2.73 0.13 0.00 -1.53 0.00 0.00 36.38 32.09 1bvg s VAL 32 CO -0.05 -0.14 0.88 -0.76 -3.33 0.00 0.00 175.10 171.69 1bvg s LEU 33 N -6.15 -0.69 0.84 2.54 1.02 0.12 -0.83 118.68 115.52 1bvg s LEU 33 Ca 0.64 1.06 -0.17 0.00 0.02 0.00 0.00 54.13 55.67 1bvg s LEU 33 Cb -0.16 1.94 -0.12 0.00 0.02 0.00 0.00 46.19 47.86 1bvg s LEU 33 CO 0.55 -0.16 -0.37 1.21 0.02 0.00 0.00 176.35 177.60 1bvg n GLU 34 N 4.28 0.01 -1.50 1.70 2.13 -1.09 -1.97 120.64 124.20 1bvg n GLU 34 Ca -0.16 0.01 -0.43 0.00 0.66 0.00 0.00 57.16 57.24 1bvg n GLU 34 Cb 0.56 -1.17 -0.00 0.00 0.27 0.00 0.00 31.44 31.10 1bvg n GLU 34 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1bvg n GLU 35 N 1.49 0.77 -2.60 5.31 2.13 0.41 -4.37 120.64 123.78 1bvg n GLU 35 Ca 0.03 0.28 -0.02 0.00 0.66 0.00 0.00 57.16 58.10 1bvg n GLU 35 Cb 0.53 -1.58 0.01 0.00 0.27 0.00 0.00 31.44 30.67 1bvg n GLU 35 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1bvg n MET 36 N 0.62 0.36 -3.22 5.31 0.00 -1.26 -4.96 117.12 113.97 1bvg n MET 36 Ca 0.12 -0.79 -0.45 0.00 0.00 0.00 0.00 57.70 56.58 1bvg n MET 36 Cb 0.36 1.05 -0.06 0.00 0.00 0.00 0.00 33.22 34.58 1bvg n MET 36 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1bvg s SER 37 N -2.19 6.19 0.52 3.17 0.15 -1.26 -5.05 113.70 115.23 1bvg s SER 37 Ca 0.11 -1.36 0.05 0.00 0.70 0.00 0.00 55.95 55.45 1bvg s SER 37 Cb -0.02 -2.25 0.04 0.00 -1.71 0.00 0.00 66.02 62.08 1bvg s SER 37 CO 0.03 -0.91 0.72 -0.76 1.20 0.00 0.00 173.24 173.52 1bvg s LEU 38 N 2.22 3.37 -0.29 3.45 2.01 -1.26 -4.65 118.68 123.52 1bvg s LEU 38 Ca 0.09 -0.38 -0.07 0.00 0.01 0.00 0.00 54.13 53.79 1bvg s LEU 38 Cb -0.24 -2.45 -0.23 0.00 0.01 0.00 0.00 46.19 43.27 1bvg s LEU 38 CO 0.07 -1.10 3.50 -0.81 1.01 0.00 0.00 176.35 179.02 1bvg n PRO 39 N -2.18 2.31 0.00 1.29 -0.04 -1.26 -4.98 135.00 130.15 1bvg n PRO 39 Ca 0.10 -1.23 0.00 0.00 -0.04 0.00 0.00 63.50 62.33 1bvg n PRO 39 Cb 0.60 -2.14 0.00 0.00 -0.04 0.00 0.00 33.50 31.91 1bvg n PRO 39 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1bvg n GLY 40 N 2.67 0.50 3.00 0.55 0.00 -1.26 -4.88 105.19 105.76 1bvg n GLY 40 Ca 0.49 -0.84 -0.14 0.00 0.00 0.00 0.00 46.02 45.53 1bvg n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1bvg n ARG 41 N -0.01 -2.33 -2.65 1.61 5.12 -1.26 -4.94 116.66 112.21 1bvg n ARG 41 Ca 0.00 1.99 -0.05 0.00 -1.93 0.00 0.00 57.85 57.86 1bvg n ARG 41 Cb 0.00 -4.63 0.01 0.00 -1.16 0.00 0.00 32.46 26.69 1bvg n ARG 41 CO 0.00 0.00 0.00 -2.67 -1.93 0.00 0.00 177.63 173.03 1bvg n TRP 42 N -0.09 -1.75 -3.92 -1.55 4.27 -1.26 -4.28 117.44 108.85 1bvg n TRP 42 Ca 0.05 -1.11 -0.10 0.00 -3.89 0.00 0.00 57.50 52.45 1bvg n TRP 42 Cb 0.46 0.53 -0.12 0.00 -1.36 0.00 0.00 31.31 30.82 1bvg n TRP 42 CO 0.00 0.00 0.00 0.15 -2.29 0.00 0.00 177.69 175.55 1bvg s LYS 43 N -2.08 0.24 0.26 -2.67 1.02 -1.11 -4.96 119.74 110.43 1bvg s LYS 43 Ca 0.10 -0.36 -0.30 0.00 0.02 0.00 0.00 55.97 55.43 1bvg s LYS 43 Cb -0.03 0.09 -0.09 0.00 -0.52 0.00 0.00 37.83 37.28 1bvg s LYS 43 CO 0.07 -0.04 1.02 -1.25 -0.92 0.00 0.00 175.35 174.23 1bvg s PRO 44 N -0.94 4.75 0.14 -1.68 0.04 -1.26 -0.30 135.00 135.75 1bvg s PRO 44 Ca -0.10 1.64 -0.05 0.00 0.04 0.00 0.00 61.00 62.53 1bvg s PRO 44 Cb -0.06 -3.24 0.02 0.00 0.04 0.00 0.00 34.50 31.26 1bvg s PRO 44 CO -0.00 0.36 0.28 0.36 0.04 0.00 0.00 177.00 178.04 1bvg n LYS 45 N 1.38 0.40 -3.70 4.56 2.85 -0.25 -4.86 118.16 118.54 1bvg n LYS 45 Ca -0.01 -0.81 -0.11 0.00 -1.05 0.00 0.00 58.31 56.33 1bvg n LYS 45 Cb 0.46 1.00 -0.11 0.00 -0.65 0.00 0.00 35.03 35.73 1bvg n LYS 45 CO 0.00 0.00 0.00 -1.64 -0.05 0.00 0.00 177.40 175.71 1bvg s MET 46 N -2.04 0.37 0.05 -1.58 -1.94 -1.26 -1.33 119.30 111.57 1bvg s MET 46 Ca 0.06 0.74 -0.04 0.00 -1.71 0.00 0.00 55.69 54.74 1bvg s MET 46 Cb -0.02 -0.02 -0.05 0.00 2.01 0.00 0.00 34.83 36.75 1bvg s MET 46 CO 0.04 -0.15 0.27 0.96 -0.01 0.00 0.00 175.02 176.13 1bvg s ILE 47 N 1.31 5.31 -0.30 2.53 -4.36 0.04 -4.88 121.20 120.85 1bvg s ILE 47 Ca -0.09 -0.05 0.03 0.00 -0.26 0.00 0.00 60.65 60.28 1bvg s ILE 47 Cb -0.08 -3.59 0.08 0.00 1.25 0.00 0.00 42.46 40.11 1bvg s ILE 47 CO -0.11 0.23 -0.03 -0.83 0.24 0.00 0.00 174.94 174.44 1bvg s GLY 48 N -2.10 1.78 0.00 6.27 0.00 -1.26 -0.65 107.32 111.36 1bvg s GLY 48 Ca 0.32 -2.08 0.00 0.00 0.00 0.00 0.00 44.72 42.97 1bvg s GLY 48 CO 0.21 0.75 0.00 0.61 0.00 0.00 0.00 173.10 174.68 1bvg n GLY 49 N 4.40 3.19 3.65 0.20 0.00 -1.00 -4.98 105.19 110.65 1bvg n GLY 49 Ca -0.07 -0.29 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 1bvg n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1bvg s ILE 50 N 3.50 4.84 0.00 -0.61 1.01 -1.26 -4.15 121.20 124.54 1bvg s ILE 50 Ca 0.00 1.60 0.00 0.00 0.00 0.00 0.00 60.65 62.25 1bvg s ILE 50 Cb 0.00 -4.13 0.00 0.00 0.01 0.00 0.00 42.46 38.34 1bvg s ILE 50 CO 0.00 -0.05 0.00 0.61 0.00 0.00 0.00 174.94 175.50 1bvg n GLY 51 N 3.66 2.90 0.00 6.18 0.00 -1.26 -4.96 105.19 111.72 1bvg n GLY 51 Ca 0.05 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.33 1bvg n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bvg n GLY 52 N 0.00 0.73 3.45 -0.02 0.00 -1.26 -5.13 105.19 102.96 1bvg n GLY 52 Ca 0.00 -0.61 -0.35 0.00 0.00 0.00 0.00 46.02 45.06 1bvg n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bvg s PHE 53 N -2.03 3.04 0.29 1.61 0.40 -1.26 -2.38 117.98 117.65 1bvg s PHE 53 Ca 0.00 -0.45 0.05 0.00 -0.60 0.00 0.00 56.93 55.93 1bvg s PHE 53 Cb 0.00 -2.07 -0.02 0.00 0.51 0.00 0.00 43.02 41.43 1bvg s PHE 53 CO 0.00 -0.22 0.43 0.96 0.70 0.00 0.00 175.22 177.08 1bvg s ILE 54 N 0.95 4.84 -0.20 0.64 -4.36 0.17 -4.86 121.20 118.39 1bvg s ILE 54 Ca 0.01 -0.91 -0.09 0.00 -0.26 0.00 0.00 60.65 59.40 1bvg s ILE 54 Cb -0.14 -3.71 -0.05 0.00 1.25 0.00 0.00 42.46 39.81 1bvg s ILE 54 CO 0.02 -0.31 0.10 -0.54 0.24 0.00 0.00 174.94 174.45 1bvg s LYS 55 N -4.10 4.07 0.28 0.37 1.02 -1.26 -0.78 119.74 119.34 1bvg s LYS 55 Ca 0.38 -0.29 0.02 0.00 0.02 0.00 0.00 55.97 56.11 1bvg s LYS 55 Cb -0.09 -3.34 -0.05 0.00 -0.52 0.00 0.00 37.83 33.83 1bvg s LYS 55 CO 0.31 0.25 0.11 0.14 -0.92 0.00 0.00 175.35 175.24 1bvg s VAL 56 N 0.48 0.53 -0.32 3.17 -7.23 -0.44 -3.29 120.40 113.29 1bvg s VAL 56 Ca 0.06 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.23 1bvg s VAL 56 Cb -0.12 -2.59 0.08 0.00 0.56 0.00 0.00 36.38 34.30 1bvg s VAL 56 CO -0.00 0.00 0.03 -0.13 -0.31 0.00 0.00 175.10 174.68 1bvg s ARG 57 N -3.94 2.06 -0.71 4.82 0.52 0.96 -1.09 118.95 121.57 1bvg s ARG 57 Ca 0.36 -1.55 -0.25 0.00 -0.52 0.00 0.00 55.73 53.77 1bvg s ARG 57 Cb 0.07 -3.20 -0.13 0.00 0.52 0.00 0.00 34.95 32.21 1bvg s ARG 57 CO 0.15 -0.78 2.41 0.94 0.02 0.00 0.00 175.30 178.05 1bvg n GLN 58 N 4.48 0.67 -2.91 3.54 7.27 0.59 -2.23 117.38 128.79 1bvg n GLN 58 Ca -0.07 -0.48 -0.44 0.00 0.07 0.00 0.00 57.00 56.08 1bvg n GLN 58 Cb 0.42 -3.37 -0.03 0.00 2.41 0.00 0.00 30.24 29.67 1bvg n GLN 58 CO 0.00 0.00 0.00 0.71 0.07 0.00 0.00 177.06 177.84 1bvg s TYR 59 N 12.90 3.03 0.05 3.69 2.02 -0.75 -2.76 117.35 135.54 1bvg s TYR 59 Ca 0.99 -1.23 -0.30 0.00 -0.37 0.00 0.00 57.07 56.16 1bvg s TYR 59 Cb -0.23 -4.28 -0.04 0.00 -0.40 0.00 0.00 41.96 37.00 1bvg s TYR 59 CO 0.19 -1.52 1.00 -0.51 -1.57 0.00 0.00 175.55 173.14 1bvg s ASP 60 N 3.67 7.39 0.00 2.29 1.11 -1.26 -1.33 116.67 128.53 1bvg s ASP 60 Ca 0.30 1.76 0.00 0.00 0.18 0.00 0.00 52.55 54.80 1bvg s ASP 60 Cb -0.07 -2.58 0.00 0.00 1.07 0.00 0.00 42.92 41.34 1bvg s ASP 60 CO -0.06 -0.21 0.00 1.67 1.18 0.00 0.00 175.17 177.76 1bvg n GLN 61 N 3.42 0.00 -4.06 8.23 7.27 -0.98 -4.95 117.38 126.30 1bvg n GLN 61 Ca 0.05 0.11 -0.33 0.00 0.07 0.00 0.00 57.00 56.89 1bvg n GLN 61 Cb 0.50 -1.36 -0.15 0.00 2.41 0.00 0.00 30.24 31.63 1bvg n GLN 61 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 1bvg s ILE 62 N -2.91 2.36 -0.99 1.69 -1.09 -0.28 -4.80 121.20 115.17 1bvg s ILE 62 Ca 0.00 -1.14 -0.25 0.00 -2.23 0.00 0.00 60.65 57.03 1bvg s ILE 62 Cb 0.00 -2.16 -0.12 0.00 -1.58 0.00 0.00 42.46 38.60 1bvg s ILE 62 CO 0.00 0.29 2.10 -0.22 -1.23 0.00 0.00 174.94 175.87 1bvg s LEU 63 N 1.25 2.87 -0.35 2.97 1.98 -1.26 -1.86 118.68 124.28 1bvg s LEU 63 Ca -0.00 -0.82 -0.19 0.00 -2.89 0.00 0.00 54.13 50.24 1bvg s LEU 63 Cb -0.16 -2.57 -0.00 0.00 0.66 0.00 0.00 46.19 44.11 1bvg s LEU 63 CO -0.08 -3.60 0.54 -0.51 -1.89 0.00 0.00 176.35 170.80 1bvg s ILE 64 N 13.17 4.99 -0.41 6.68 2.07 0.58 -4.21 121.20 144.08 1bvg s ILE 64 Ca 0.78 0.41 -0.22 0.00 -1.41 0.00 0.00 60.65 60.21 1bvg s ILE 64 Cb -0.06 -3.98 0.02 0.00 0.13 0.00 0.00 42.46 38.56 1bvg s ILE 64 CO 0.09 -0.22 0.71 -0.70 -1.91 0.00 0.00 174.94 172.91 1bvg s GLU 65 N 2.45 3.51 -0.17 3.50 2.12 -0.97 -1.39 118.70 127.74 1bvg s GLU 65 Ca 0.20 -0.06 -0.03 0.00 0.36 0.00 0.00 54.97 55.44 1bvg s GLU 65 Cb -0.15 -3.89 -0.02 0.00 0.26 0.00 0.00 34.13 30.33 1bvg s GLU 65 CO 0.13 -0.94 -0.05 0.42 -0.54 0.00 0.00 175.26 174.28 1bvg s ILE 66 N 2.99 3.62 -0.94 -3.70 1.09 0.28 -1.94 121.20 122.61 1bvg s ILE 66 Ca 0.27 -0.44 -0.01 0.00 -1.10 0.00 0.00 60.65 59.36 1bvg s ILE 66 Cb -0.13 -2.60 0.00 0.00 -1.06 0.00 0.00 42.46 38.67 1bvg s ILE 66 CO 0.19 0.47 0.79 0.00 -0.10 0.00 0.00 174.94 176.29 1bvg n GLY 68 N -1.22 0.77 3.14 0.00 0.00 -1.26 -4.93 105.19 101.70 1bvg n GLY 68 Ca -0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 1bvg n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1bvg s HIS 69 N -2.47 2.26 0.41 1.61 3.76 -0.77 -5.11 115.29 114.97 1bvg s HIS 69 Ca 0.00 -0.99 -0.26 0.00 -0.15 0.00 0.00 55.06 53.67 1bvg s HIS 69 Cb 0.00 -1.56 -0.09 0.00 1.11 0.00 0.00 32.58 32.05 1bvg s HIS 69 CO 0.00 -0.44 1.29 0.15 -0.85 0.00 0.00 174.74 174.89 1bvg s LYS 70 N 0.61 3.97 -0.29 1.40 3.01 -1.26 -0.55 119.74 126.62 1bvg s LYS 70 Ca -0.14 2.12 0.04 0.00 -1.01 0.00 0.00 55.97 56.98 1bvg s LYS 70 Cb -0.17 -2.75 0.19 0.00 -1.01 0.00 0.00 37.83 34.10 1bvg s LYS 70 CO 0.04 -0.48 0.57 0.00 0.51 0.00 0.00 175.35 175.99 1bvg s ALA 71 N -1.28 -2.24 0.48 5.17 0.00 -0.49 -4.83 121.76 118.58 1bvg s ALA 71 Ca 0.57 1.20 -0.19 0.00 0.00 0.00 0.00 51.96 53.55 1bvg s ALA 71 Cb -0.37 -2.38 -0.09 0.00 0.00 0.00 0.00 23.12 20.27 1bvg s ALA 71 CO 0.48 -1.68 0.98 0.42 0.00 0.00 0.00 175.76 175.96 1bvg s ILE 72 N 2.81 4.36 -0.02 0.00 -1.09 -1.26 -0.30 121.20 125.70 1bvg s ILE 72 Ca 0.13 1.30 -0.19 0.00 -2.23 0.00 0.00 60.65 59.67 1bvg s ILE 72 Cb -0.12 -3.62 0.06 0.00 -1.58 0.00 0.00 42.46 37.20 1bvg s ILE 72 CO -0.25 -0.48 0.85 0.61 -1.23 0.00 0.00 174.94 174.44 1bvg n GLY 73 N -1.03 0.35 3.48 6.18 0.00 -0.78 -4.81 105.19 108.58 1bvg n GLY 73 Ca 0.07 -0.97 -0.43 0.00 0.00 0.00 0.00 46.02 44.69 1bvg n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bvg s THR 74 N -2.06 4.71 -0.41 2.61 2.01 -1.26 -1.13 115.64 120.12 1bvg s THR 74 Ca 0.20 -0.20 -0.15 0.00 0.31 0.00 0.00 61.69 61.85 1bvg s THR 74 Cb -0.00 -4.37 0.02 0.00 0.01 0.00 0.00 72.50 68.15 1bvg s THR 74 CO -0.01 -0.89 0.32 -0.69 -0.69 0.00 0.00 174.62 172.66 1bvg s VAL 75 N 3.07 5.24 -0.48 3.82 1.01 -0.44 -3.00 120.40 129.61 1bvg s VAL 75 Ca 0.21 -0.59 -0.29 0.00 0.00 0.00 0.00 61.98 61.31 1bvg s VAL 75 Cb -0.17 -3.94 0.03 0.00 0.00 0.00 0.00 36.38 32.31 1bvg s VAL 75 CO 0.15 -0.31 1.14 -0.76 0.00 0.00 0.00 175.10 175.31 1bvg s LEU 76 N 1.75 3.63 -0.37 3.92 1.02 -0.28 -1.81 118.68 126.55 1bvg s LEU 76 Ca 0.06 0.44 -0.20 0.00 0.02 0.00 0.00 54.13 54.45 1bvg s LEU 76 Cb -0.19 -3.53 0.00 0.00 0.02 0.00 0.00 46.19 42.50 1bvg s LEU 76 CO 0.11 -1.26 0.63 -0.69 0.02 0.00 0.00 176.35 175.15 1bvg s VAL 77 N 4.47 4.89 0.00 -1.59 1.01 -0.94 0.13 120.40 128.36 1bvg s VAL 77 Ca 0.48 0.51 0.00 0.00 0.00 0.00 0.00 61.98 62.96 1bvg s VAL 77 Cb -0.07 -4.09 0.00 0.00 0.00 0.00 0.00 36.38 32.22 1bvg s VAL 77 CO 0.32 -0.35 0.00 0.61 0.00 0.00 0.00 175.10 175.68 1bvg n GLY 78 N 4.73 3.49 1.60 4.51 0.00 -0.83 -0.03 105.19 118.66 1bvg n GLY 78 Ca -0.01 -1.29 -0.03 0.00 0.00 0.00 0.00 46.02 44.69 1bvg n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1bvg n PRO 79 N 0.00 1.20 -3.05 1.61 -0.04 -1.21 0.16 135.00 133.66 1bvg n PRO 79 Ca 0.00 -0.21 -0.39 0.00 -0.04 0.00 0.00 63.50 62.85 1bvg n PRO 79 Cb 0.00 -1.19 -0.06 0.00 -0.04 0.00 0.00 33.50 32.21 1bvg n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1bvg s THR 80 N 0.14 4.59 -1.34 0.52 -1.32 -1.26 -4.93 115.64 112.03 1bvg s THR 80 Ca 0.13 1.56 0.00 0.00 -1.21 0.00 0.00 61.69 62.17 1bvg s THR 80 Cb 0.06 -4.07 0.00 0.00 -1.51 0.00 0.00 72.50 66.98 1bvg s THR 80 CO -0.00 0.47 0.67 -0.81 -2.21 0.00 0.00 174.62 172.74 1bvg n PRO 81 N 2.08 1.00 -3.51 7.08 -0.04 -1.26 -3.52 135.00 136.82 1bvg n PRO 81 Ca -0.06 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.30 1bvg n PRO 81 Cb 0.50 -1.33 -0.02 0.00 -0.04 0.00 0.00 33.50 32.61 1bvg n PRO 81 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1bvg s VAL 82 N -1.34 0.00 -0.72 0.52 1.01 -1.26 -5.00 120.40 113.60 1bvg s VAL 82 Ca 0.00 -0.19 -0.15 0.00 0.00 0.00 0.00 61.98 61.65 1bvg s VAL 82 Cb 0.00 -1.19 0.19 0.00 0.00 0.00 0.00 36.38 35.37 1bvg s VAL 82 CO 0.00 0.00 0.68 0.20 0.00 0.00 0.00 175.10 175.98 1bvg s ASN 83 N -2.77 6.55 -0.04 3.32 0.01 -1.24 -2.69 114.94 118.09 1bvg s ASN 83 Ca 0.03 -2.35 -0.30 0.00 -0.71 0.00 0.00 52.86 49.53 1bvg s ASN 83 Cb -0.02 -2.21 -0.02 0.00 0.41 0.00 0.00 41.25 39.40 1bvg s ASN 83 CO -0.09 -0.69 1.00 -0.63 -1.51 0.00 0.00 177.10 175.18 1bvg s ILE 84 N 0.73 4.81 -0.60 0.60 -1.09 -0.01 -0.38 121.20 125.27 1bvg s ILE 84 Ca 0.13 2.04 -0.09 0.00 -2.23 0.00 0.00 60.65 60.50 1bvg s ILE 84 Cb -0.17 -4.31 0.16 0.00 -1.58 0.00 0.00 42.46 36.56 1bvg s ILE 84 CO -0.05 0.10 0.48 -0.63 -1.23 0.00 0.00 174.94 173.61 1bvg s ILE 85 N 1.41 4.42 0.00 2.92 1.09 -1.19 -0.41 121.20 129.43 1bvg s ILE 85 Ca 0.51 -2.29 0.00 0.00 -1.10 0.00 0.00 60.65 57.77 1bvg s ILE 85 Cb -0.20 -3.85 0.00 0.00 -1.06 0.00 0.00 42.46 37.35 1bvg s ILE 85 CO 0.24 -0.87 0.00 0.61 -0.10 0.00 0.00 174.94 174.82 1bvg n GLY 86 N 4.27 -0.33 0.33 6.18 0.00 0.17 -1.76 105.19 114.06 1bvg n GLY 86 Ca 0.02 -1.71 -0.07 0.00 0.00 0.00 0.00 46.02 44.26 1bvg n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1bvg h ARG 87 N 0.00 1.16 -1.61 1.61 2.47 -1.48 -0.88 114.38 115.65 1bvg h ARG 87 Ca 0.00 -0.24 0.47 0.00 -1.26 0.00 0.00 59.98 58.95 1bvg h ARG 87 Cb 0.00 -0.17 -0.07 0.00 -1.65 0.00 0.00 29.97 28.08 1bvg h ARG 87 CO 0.00 0.98 1.15 -2.95 0.56 0.00 0.00 179.97 179.71 1bvg h ASN 88 N 1.11 0.03 0.00 7.04 -1.07 -1.53 0.38 115.58 121.54 1bvg h ASN 88 Ca 0.24 0.01 -0.13 0.00 0.07 0.00 0.00 56.30 56.49 1bvg h ASN 88 Cb 0.29 0.01 -0.03 0.00 -2.07 0.00 0.00 38.32 36.53 1bvg h ASN 88 CO -0.01 -0.01 -1.85 0.18 0.07 0.00 0.00 177.43 175.81 1bvg n LEU 89 N -4.10 0.00 0.00 6.14 7.99 -0.92 -4.22 117.00 121.89 1bvg n LEU 89 Ca 0.36 0.00 0.11 0.00 -0.01 0.00 0.00 56.01 56.47 1bvg n LEU 89 Cb 1.66 0.18 0.62 0.00 -0.11 0.00 0.00 43.42 45.78 1bvg n LEU 89 CO 0.41 0.18 0.85 0.18 -1.51 0.00 0.00 177.39 177.50 1bvg n LEU 90 N -2.29 0.00 -0.01 2.23 4.77 0.11 -2.01 117.00 119.81 1bvg n LEU 90 Ca -0.13 0.09 0.11 0.00 -0.03 0.00 0.00 56.01 56.05 1bvg n LEU 90 Cb 0.69 -0.09 -0.17 0.00 -2.33 0.00 0.00 43.42 41.52 1bvg n LEU 90 CO 0.31 -0.03 -0.75 0.35 -1.33 0.00 0.00 177.39 175.94 1bvg n THR 91 N -1.09 0.00 0.04 -5.08 -2.24 -0.06 -1.01 114.28 104.85 1bvg n THR 91 Ca 0.15 -0.49 -0.22 0.00 -2.27 0.00 0.00 64.05 61.21 1bvg n THR 91 Cb 0.11 0.01 -0.14 0.00 -2.10 0.00 0.00 70.33 68.20 1bvg n THR 91 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1bvg h GLN 92 N 0.00 0.34 -0.01 -0.78 1.08 -1.59 -3.30 115.11 110.85 1bvg h GLN 92 Ca 0.00 -0.58 0.00 0.00 -1.45 0.00 0.00 58.65 56.62 1bvg h GLN 92 Cb 0.99 0.22 0.00 0.00 -0.05 0.00 0.00 27.48 28.64 1bvg h GLN 92 CO 0.00 1.28 -0.01 0.44 -0.95 0.00 0.00 178.83 179.58 1bvg n ILE 93 N -3.61 0.00 -3.13 2.54 -5.35 -1.04 -4.91 119.36 103.85 1bvg n ILE 93 Ca -0.27 -0.10 -0.14 0.00 -0.27 0.00 0.00 62.75 61.96 1bvg n ILE 93 Cb 1.04 -0.07 0.06 0.00 -1.74 0.00 0.00 39.64 38.93 1bvg n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1bvg n GLY 94 N 1.10 -0.10 3.80 3.28 0.00 -1.23 -4.91 105.19 107.13 1bvg n GLY 94 Ca 0.21 -0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 1bvg n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bvg s ALA 95 N -3.23 2.89 -0.05 4.61 0.00 -0.18 -5.02 121.76 120.78 1bvg s ALA 95 Ca 0.22 0.60 -0.02 0.00 0.00 0.00 0.00 51.96 52.76 1bvg s ALA 95 Cb -0.10 -3.25 0.04 0.00 0.00 0.00 0.00 23.12 19.81 1bvg s ALA 95 CO 0.51 -0.28 0.11 0.95 0.00 0.00 0.00 175.76 177.05 1bvg s THR 96 N -1.98 -0.07 -0.77 0.00 -4.23 -1.26 -4.86 115.64 102.46 1bvg s THR 96 Ca 0.66 0.22 -0.20 0.00 -1.18 0.00 0.00 61.69 61.19 1bvg s THR 96 Cb -0.16 -0.20 0.11 0.00 1.34 0.00 0.00 72.50 73.59 1bvg s THR 96 CO 0.20 0.09 0.98 -0.76 -0.54 0.00 0.00 174.62 174.59 1bvg s LEU 97 N 1.28 4.95 -0.18 4.79 1.02 -1.26 -5.01 118.68 124.29 1bvg s LEU 97 Ca -0.08 -1.60 -0.06 0.00 0.02 0.00 0.00 54.13 52.41 1bvg s LEU 97 Cb -0.12 -2.38 -0.03 0.00 0.02 0.00 0.00 46.19 43.68 1bvg s LEU 97 CO -0.05 -1.18 0.02 0.20 0.02 0.00 0.00 176.35 175.35 1bvg s ASN 98 N 3.59 5.18 0.00 2.29 0.02 -1.26 -5.30 114.94 119.47 1bvg s ASN 98 Ca 0.25 -0.05 0.00 0.00 -1.02 0.00 0.00 52.86 52.04 1bvg s ASN 98 Cb -0.13 -1.87 0.00 0.00 0.02 0.00 0.00 41.25 39.27 1bvg s ASN 98 CO -0.00 0.15 0.19 2.22 0.02 0.00 0.00 177.10 179.68