#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bxy n PRO 2 N 0.00 0.25 -3.49 0.03 -0.04 -1.26 -4.89 135.00 125.61 1bxy n PRO 2 Ca 0.00 0.09 -0.22 0.00 -0.04 0.00 0.00 63.50 63.32 1bxy n PRO 2 Cb 0.00 -1.40 0.00 0.00 -0.04 0.00 0.00 33.50 32.07 1bxy n PRO 2 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1bxy n ARG 3 N 1.35 0.77 -4.29 0.54 1.74 0.03 -4.67 116.66 112.14 1bxy n ARG 3 Ca 0.18 -2.99 -0.34 0.00 -0.77 0.00 0.00 57.85 53.93 1bxy n ARG 3 Cb 0.18 0.29 -0.13 0.00 -1.02 0.00 0.00 32.46 31.78 1bxy n ARG 3 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1bxy s LEU 4 N 0.00 3.00 -0.22 0.55 1.43 -0.32 -1.66 118.68 121.47 1bxy s LEU 4 Ca 0.29 -0.27 -0.14 0.00 -1.03 0.00 0.00 54.13 52.98 1bxy s LEU 4 Cb -0.02 -1.73 -0.04 0.00 0.03 0.00 0.00 46.19 44.42 1bxy s LEU 4 CO 0.18 0.09 0.31 -0.75 0.23 0.00 0.00 176.35 176.41 1bxy s LYS 5 N 0.81 4.13 -0.13 1.70 2.20 0.98 -0.08 119.74 129.36 1bxy s LYS 5 Ca -0.02 0.02 0.03 0.00 -0.36 0.00 0.00 55.97 55.64 1bxy s LYS 5 Cb -0.15 -3.54 0.00 0.00 -1.51 0.00 0.00 37.83 32.64 1bxy s LYS 5 CO 0.02 -0.01 -0.22 0.08 -0.36 0.00 0.00 175.35 174.86 1bxy s VAL 6 N 1.24 2.17 -0.12 4.02 1.01 0.71 -1.12 120.40 128.31 1bxy s VAL 6 Ca 0.15 -0.96 0.03 0.00 0.00 0.00 0.00 61.98 61.20 1bxy s VAL 6 Cb -0.14 -1.86 0.01 0.00 0.00 0.00 0.00 36.38 34.38 1bxy s VAL 6 CO 0.07 0.55 -0.22 -0.75 0.00 0.00 0.00 175.10 174.74 1bxy s LYS 7 N 0.62 2.92 -0.60 2.72 2.20 -0.37 -1.24 119.74 126.00 1bxy s LYS 7 Ca -0.11 -0.83 -0.28 0.00 -0.36 0.00 0.00 55.97 54.40 1bxy s LYS 7 Cb -0.16 -2.29 0.01 0.00 -1.51 0.00 0.00 37.83 33.88 1bxy s LYS 7 CO 0.03 0.08 1.44 -1.17 -0.36 0.00 0.00 175.35 175.36 1bxy s LEU 8 N 0.60 3.34 0.00 5.43 2.96 -0.42 -0.28 118.68 130.31 1bxy s LEU 8 Ca -0.13 0.15 0.21 0.00 -0.22 0.00 0.00 54.13 54.14 1bxy s LEU 8 Cb -0.17 -2.90 0.40 0.00 0.50 0.00 0.00 46.19 44.02 1bxy s LEU 8 CO 0.03 -1.81 1.35 1.33 -1.32 0.00 0.00 176.35 175.94 1bxy n VAL 9 N 6.80 0.53 -4.13 1.68 0.24 -0.40 -0.26 118.33 122.80 1bxy n VAL 9 Ca 0.11 -0.76 -0.15 0.00 -2.04 0.00 0.00 64.34 61.50 1bxy n VAL 9 Cb 0.49 0.95 -0.12 0.00 -1.47 0.00 0.00 33.84 33.69 1bxy n VAL 9 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1bxy s LYS 10 N -1.39 0.59 0.12 7.34 1.02 -1.14 -4.93 119.74 121.34 1bxy s LYS 10 Ca 0.36 -0.67 -0.31 0.00 0.02 0.00 0.00 55.97 55.37 1bxy s LYS 10 Cb 0.21 -0.45 -0.07 0.00 -0.52 0.00 0.00 37.83 37.00 1bxy s LYS 10 CO 0.29 0.10 1.28 0.45 -0.92 0.00 0.00 175.35 176.55 1bxy s SER 11 N -1.28 6.96 0.00 2.83 0.15 -1.26 -4.79 113.70 116.31 1bxy s SER 11 Ca -0.06 2.21 0.09 0.00 0.70 0.00 0.00 55.95 58.90 1bxy s SER 11 Cb -0.08 -2.59 0.56 0.00 -1.71 0.00 0.00 66.02 62.19 1bxy s SER 11 CO 0.01 -0.53 1.18 -0.81 1.20 0.00 0.00 173.24 174.28 1bxy n PRO 12 N 3.58 0.78 -3.29 5.44 -0.04 -1.26 -4.90 135.00 135.31 1bxy n PRO 12 Ca 0.09 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.17 1bxy n PRO 12 Cb 0.44 -1.19 -0.06 0.00 -0.04 0.00 0.00 33.50 32.66 1bxy n PRO 12 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1bxy s ILE 13 N -2.00 4.76 -0.13 0.52 1.01 -1.26 -2.39 121.20 121.71 1bxy s ILE 13 Ca 0.14 1.12 0.00 0.00 0.00 0.00 0.00 60.65 61.91 1bxy s ILE 13 Cb 0.06 -3.85 0.00 0.00 0.01 0.00 0.00 42.46 38.68 1bxy s ILE 13 CO 0.11 0.45 0.00 0.61 0.00 0.00 0.00 174.94 176.11 1bxy n GLY 14 N 1.42 0.50 3.81 6.18 0.00 -1.26 -5.02 105.19 110.83 1bxy n GLY 14 Ca -0.09 -0.61 -0.36 0.00 0.00 0.00 0.00 46.02 44.97 1bxy n GLY 14 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1bxy s TYR 15 N -2.01 3.60 0.87 1.61 1.51 -1.01 -5.02 117.35 116.90 1bxy s TYR 15 Ca 0.00 1.45 -0.11 0.00 -1.01 0.00 0.00 57.07 57.40 1bxy s TYR 15 Cb 0.00 -2.68 0.12 0.00 -0.11 0.00 0.00 41.96 39.29 1bxy s TYR 15 CO 0.00 0.25 1.14 -2.14 -1.11 0.00 0.00 175.55 173.70 1bxy s PRO 16 N -2.20 1.37 0.55 -1.71 0.02 -1.26 -4.61 135.00 127.16 1bxy s PRO 16 Ca 0.47 1.51 0.31 0.00 0.02 0.00 0.00 61.00 63.31 1bxy s PRO 16 Cb -0.16 -1.77 1.63 0.00 0.02 0.00 0.00 34.50 34.22 1bxy s PRO 16 CO 0.21 -2.37 2.12 1.57 -0.33 0.00 0.00 177.00 178.20 1bxy h LYS 17 N -1.57 0.00 0.00 5.54 2.10 -1.98 -0.30 116.57 120.37 1bxy h LYS 17 Ca -0.44 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.13 1bxy h LYS 17 Cb 1.26 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.58 1bxy h LYS 17 CO 0.44 0.08 -0.42 -0.44 -2.00 0.00 0.00 179.45 177.11 1bxy h ASP 18 N 0.00 0.00 0.15 7.07 3.32 -1.99 -0.88 116.42 124.09 1bxy h ASP 18 Ca -0.00 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.76 1bxy h ASP 18 Cb 0.28 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.84 1bxy h ASP 18 CO 0.01 0.42 -1.45 1.56 -1.72 0.00 0.00 179.24 178.06 1bxy h GLN 19 N 0.00 0.32 -0.92 3.56 4.20 -1.58 -3.16 115.11 117.54 1bxy h GLN 19 Ca -0.00 -0.55 0.05 0.00 0.06 0.00 0.00 58.65 58.21 1bxy h GLN 19 Cb 1.01 0.20 -0.06 0.00 0.30 0.00 0.00 27.48 28.94 1bxy h GLN 19 CO 0.05 1.26 0.60 0.87 -0.67 0.00 0.00 178.83 180.94 1bxy h LYS 20 N -0.15 1.05 -0.87 1.46 1.57 -1.13 -2.40 116.57 116.10 1bxy h LYS 20 Ca -0.29 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.41 1bxy h LYS 20 Cb 1.88 -0.24 -0.04 0.00 0.08 0.00 0.00 32.23 33.91 1bxy h LYS 20 CO 0.12 0.70 0.49 0.00 -0.57 0.00 0.00 179.45 180.18 1bxy h ALA 21 N 1.49 1.11 0.00 3.86 0.00 -1.23 -1.57 119.26 122.92 1bxy h ALA 21 Ca 0.38 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 1bxy h ALA 21 Cb 0.13 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1bxy h ALA 21 CO -0.14 0.61 -0.00 0.00 0.00 0.00 0.00 179.25 179.72 1bxy h ALA 22 N 1.26 -0.00 -0.68 0.00 0.00 -1.45 -0.13 119.26 118.26 1bxy h ALA 22 Ca 0.31 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 1bxy h ALA 22 Cb 0.01 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1bxy h ALA 22 CO -0.05 -0.46 0.24 -0.07 0.00 0.00 0.00 179.25 178.91 1bxy h LEU 23 N -0.09 0.95 -0.52 0.00 3.38 -1.33 0.10 115.31 117.80 1bxy h LEU 23 Ca -0.00 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 1bxy h LEU 23 Cb 0.09 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1bxy h LEU 23 CO 0.00 0.87 0.15 0.50 0.09 0.00 0.00 178.44 180.05 1bxy h LYS 24 N 1.00 0.81 -0.39 1.13 3.64 -1.11 0.29 116.57 121.93 1bxy h LYS 24 Ca 0.23 -0.18 -0.04 0.00 -1.27 0.00 0.00 60.65 59.38 1bxy h LYS 24 Cb 0.24 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 1bxy h LYS 24 CO -0.01 0.76 0.07 0.00 -2.27 0.00 0.00 179.45 177.99 1bxy h ALA 25 N 1.02 1.38 0.00 5.00 0.00 -0.51 -1.89 119.26 124.25 1bxy h ALA 25 Ca 0.17 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1bxy h ALA 25 Cb 0.29 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1bxy h ALA 25 CO -0.00 0.44 0.00 -0.07 0.00 0.00 0.00 179.25 179.62 1bxy h LEU 26 N 0.58 0.00 0.21 0.00 3.38 -0.01 -3.47 115.31 116.00 1bxy h LEU 26 Ca 0.13 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 1bxy h LEU 26 Cb 0.27 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 1bxy h LEU 26 CO 0.00 0.00 -0.04 0.61 0.09 0.00 0.00 178.44 179.10 1bxy n GLY 27 N 1.12 0.34 3.23 0.83 0.00 -0.01 -4.96 105.19 105.74 1bxy n GLY 27 Ca 0.05 -0.85 -0.38 0.00 0.00 0.00 0.00 46.02 44.84 1bxy n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bxy s LEU 28 N -0.47 4.58 -0.02 0.99 1.43 -0.60 -4.90 118.68 119.69 1bxy s LEU 28 Ca 0.00 -1.39 0.13 0.00 -1.03 0.00 0.00 54.13 51.84 1bxy s LEU 28 Cb 0.00 -1.86 -0.19 0.00 0.03 0.00 0.00 46.19 44.17 1bxy s LEU 28 CO 0.00 -0.40 0.27 -1.14 0.23 0.00 0.00 176.35 175.31 1bxy n ARG 29 N 4.77 0.44 -3.77 1.70 0.63 -1.26 -4.41 116.66 114.75 1bxy n ARG 29 Ca -0.10 -0.11 -0.12 0.00 -0.92 0.00 0.00 57.85 56.59 1bxy n ARG 29 Cb 0.43 -1.30 -0.08 0.00 0.45 0.00 0.00 32.46 31.97 1bxy n ARG 29 CO 0.00 0.00 0.00 -0.98 -2.51 0.00 0.00 177.63 174.14 1bxy s ARG 30 N -2.85 0.74 0.23 -0.14 1.70 -1.26 -4.99 118.95 112.37 1bxy s ARG 30 Ca -0.05 -0.40 -0.29 0.00 -0.47 0.00 0.00 55.73 54.52 1bxy s ARG 30 Cb 0.08 0.32 -0.15 0.00 -0.57 0.00 0.00 34.95 34.62 1bxy s ARG 30 CO 0.52 -0.22 0.88 1.28 -1.08 0.00 0.00 175.30 176.68 1bxy n LEU 31 N 0.87 0.70 0.00 -1.89 4.77 -1.26 -1.87 117.00 118.32 1bxy n LEU 31 Ca -0.20 1.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.94 1bxy n LEU 31 Cb 0.58 -1.15 0.00 0.00 -2.33 0.00 0.00 43.42 40.52 1bxy n LEU 31 CO 0.21 -1.91 0.00 0.00 -1.33 0.00 0.00 177.39 174.36 1bxy n GLN 32 N 1.02 -1.78 -2.33 3.23 1.13 0.65 -4.99 117.38 114.31 1bxy n GLN 32 Ca 0.14 0.44 -0.41 0.00 -1.94 0.00 0.00 57.00 55.23 1bxy n GLN 32 Cb 0.27 -4.83 -0.03 0.00 0.11 0.00 0.00 30.24 25.76 1bxy n GLN 32 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 1bxy s GLN 33 N -1.81 4.51 0.25 -1.09 0.74 -0.78 -4.77 119.66 116.71 1bxy s GLN 33 Ca 0.00 1.96 0.12 0.00 0.05 0.00 0.00 55.36 57.49 1bxy s GLN 33 Cb 0.00 -3.16 -0.05 0.00 1.10 0.00 0.00 33.01 30.91 1bxy s GLN 33 CO 0.00 0.01 -0.20 -1.21 -0.55 0.00 0.00 175.29 173.34 1bxy s GLU 34 N -1.31 1.66 -0.02 1.67 2.02 -1.26 -1.30 118.70 120.16 1bxy s GLU 34 Ca 0.48 -1.66 -0.04 0.00 0.02 0.00 0.00 54.97 53.76 1bxy s GLU 34 Cb -0.35 -1.82 0.00 0.00 0.10 0.00 0.00 34.13 32.07 1bxy s GLU 34 CO 0.44 0.36 0.10 1.03 0.02 0.00 0.00 175.26 177.21 1bxy s ARG 35 N -3.23 0.25 -0.19 1.61 1.81 -0.37 -4.96 118.95 113.86 1bxy s ARG 35 Ca 0.27 -0.08 -0.05 0.00 -1.72 0.00 0.00 55.73 54.15 1bxy s ARG 35 Cb -0.06 0.11 -0.03 0.00 -0.45 0.00 0.00 34.95 34.52 1bxy s ARG 35 CO 0.14 -0.05 -0.01 0.08 -0.68 0.00 0.00 175.30 174.78 1bxy s VAL 36 N -0.51 3.97 0.02 3.52 1.01 -1.26 -0.21 120.40 126.94 1bxy s VAL 36 Ca -0.06 -0.31 0.03 0.00 0.00 0.00 0.00 61.98 61.64 1bxy s VAL 36 Cb -0.04 -2.78 -0.02 0.00 0.00 0.00 0.00 36.38 33.54 1bxy s VAL 36 CO 0.00 0.44 -0.10 -0.76 0.00 0.00 0.00 175.10 174.68 1bxy s LEU 37 N 0.86 2.13 0.32 3.92 1.43 0.88 -4.93 118.68 123.29 1bxy s LEU 37 Ca 0.01 -0.35 -0.29 0.00 -1.03 0.00 0.00 54.13 52.46 1bxy s LEU 37 Cb -0.14 -0.44 -0.11 0.00 0.03 0.00 0.00 46.19 45.53 1bxy s LEU 37 CO 0.02 0.01 1.42 -1.61 0.23 0.00 0.00 176.35 176.43 1bxy s GLU 38 N -0.85 4.23 -0.78 1.70 8.01 -1.26 -1.18 118.70 128.58 1bxy s GLU 38 Ca -0.00 2.38 -0.25 0.00 0.01 0.00 0.00 54.97 57.11 1bxy s GLU 38 Cb -0.06 -3.04 -0.04 0.00 -4.31 0.00 0.00 34.13 26.67 1bxy s GLU 38 CO 0.00 -0.40 1.94 0.34 0.01 0.00 0.00 175.26 177.16 1bxy s ASP 39 N -0.07 5.14 0.45 -0.19 -1.08 -1.26 -4.80 116.67 114.86 1bxy s ASP 39 Ca 0.54 -0.25 0.05 0.00 -0.52 0.00 0.00 52.55 52.37 1bxy s ASP 39 Cb -0.43 -2.55 -0.05 0.00 -1.46 0.00 0.00 42.92 38.43 1bxy s ASP 39 CO 0.53 -2.65 0.01 0.42 0.52 0.00 0.00 175.17 174.00 1bxy s THR 40 N 9.89 1.66 0.26 1.71 -4.23 -1.26 -5.01 115.64 118.65 1bxy s THR 40 Ca 0.70 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 59.18 1bxy s THR 40 Cb -0.09 -2.66 0.24 0.00 1.34 0.00 0.00 72.50 71.34 1bxy s THR 40 CO 0.08 0.00 1.85 -0.65 -0.54 0.00 0.00 174.62 175.35 1bxy h PRO 41 N 1.60 0.96 -0.52 3.99 0.11 -1.99 -1.52 132.00 134.64 1bxy h PRO 41 Ca -0.44 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 1bxy h PRO 41 Cb 1.27 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 32.14 1bxy h PRO 41 CO 0.78 0.64 0.26 0.00 -0.21 0.00 0.00 178.00 179.47 1bxy h ALA 42 N 1.46 1.48 0.03 -0.75 0.00 -1.96 -1.04 119.26 118.48 1bxy h ALA 42 Ca 0.42 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 1bxy h ALA 42 Cb 0.28 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1bxy h ALA 42 CO -0.21 0.42 -0.01 0.82 0.00 0.00 0.00 179.25 180.26 1bxy h ILE 43 N 0.72 1.43 -0.54 0.00 1.08 -1.71 -2.96 117.51 115.53 1bxy h ILE 43 Ca 0.18 -1.69 0.09 0.00 -0.39 0.00 0.00 64.86 63.05 1bxy h ILE 43 Cb 0.06 2.52 -0.07 0.00 -3.07 0.00 0.00 36.82 36.26 1bxy h ILE 43 CO -0.03 0.42 0.14 0.03 -0.69 0.00 0.00 178.15 178.02 1bxy h ARG 44 N -0.80 0.28 -0.84 2.37 3.08 -1.08 0.12 114.38 117.51 1bxy h ARG 44 Ca -0.00 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 1bxy h ARG 44 Cb 0.71 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.66 1bxy h ARG 44 CO 0.01 0.19 0.39 0.78 -1.07 0.00 0.00 179.97 180.27 1bxy h GLY 45 N 0.29 1.31 1.72 0.04 0.00 -1.31 -0.73 103.07 104.41 1bxy h GLY 45 Ca 0.27 -0.67 -0.23 0.00 0.00 0.00 0.00 47.33 46.70 1bxy h GLY 45 CO -0.32 0.63 -1.06 3.43 0.00 0.00 0.00 176.54 179.23 1bxy h ASN 46 N 1.21 0.32 -0.67 0.19 2.35 -1.17 -3.20 115.58 114.62 1bxy h ASN 46 Ca 0.29 -0.31 -0.02 0.00 -0.55 0.00 0.00 56.30 55.71 1bxy h ASN 46 Cb 0.14 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.38 1bxy h ASN 46 CO -0.03 1.18 0.34 0.58 -1.65 0.00 0.00 177.43 177.84 1bxy h VAL 47 N 0.09 1.22 -0.27 2.81 2.07 -0.60 -2.60 116.25 118.98 1bxy h VAL 47 Ca -0.08 -0.61 0.08 0.00 0.82 0.00 0.00 66.70 66.91 1bxy h VAL 47 Cb 1.75 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 1bxy h VAL 47 CO 0.17 0.26 0.19 -0.33 0.02 0.00 0.00 177.57 177.87 1bxy h GLU 48 N 0.93 0.00 0.00 1.57 5.08 -1.13 -0.88 114.58 120.16 1bxy h GLU 48 Ca 0.23 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.51 1bxy h GLU 48 Cb 0.10 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1bxy h GLU 48 CO -0.03 0.00 -0.39 0.87 -1.00 0.00 0.00 179.01 178.46 1bxy h LYS 49 N 0.00 0.00 0.00 2.33 1.57 -1.47 -3.18 116.57 115.83 1bxy h LYS 49 Ca 0.13 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.84 1bxy h LYS 49 Cb 0.51 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.69 1bxy h LYS 49 CO -0.00 0.39 -0.68 1.33 -0.57 0.00 0.00 179.45 179.92 1bxy n VAL 50 N -3.85 1.43 -0.26 0.50 0.24 -0.85 -4.89 118.33 110.65 1bxy n VAL 50 Ca -0.01 -2.44 0.23 0.00 -2.04 0.00 0.00 64.34 60.07 1bxy n VAL 50 Cb 0.45 0.19 0.56 0.00 -1.47 0.00 0.00 33.84 33.57 1bxy n VAL 50 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1bxy h ALA 51 N 0.98 2.38 -0.00 2.33 0.00 -1.16 0.37 119.26 124.16 1bxy h ALA 51 Ca -0.08 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1bxy h ALA 51 Cb 1.31 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1bxy h ALA 51 CO 0.03 -0.70 -0.10 0.72 0.00 0.00 0.00 179.25 179.20 1bxy n HIS 52 N -4.48 0.00 0.71 0.00 8.25 -1.26 -3.53 115.22 114.92 1bxy n HIS 52 Ca 0.21 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.75 1bxy n HIS 52 Cb 0.83 -0.24 -0.10 0.00 1.12 0.00 0.00 29.99 31.61 1bxy n HIS 52 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1bxy n LEU 53 N -1.11 0.71 -4.29 2.41 4.77 0.11 -4.87 117.00 114.73 1bxy n LEU 53 Ca 0.13 -0.45 -0.20 0.00 -0.03 0.00 0.00 56.01 55.46 1bxy n LEU 53 Cb 0.28 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.25 1bxy n LEU 53 CO 0.25 0.18 -0.47 0.68 -1.33 0.00 0.00 177.39 176.69 1bxy s VAL 54 N -2.64 1.59 -0.07 4.08 -7.23 -1.16 -1.28 120.40 113.70 1bxy s VAL 54 Ca 0.05 -1.78 0.02 0.00 -1.81 0.00 0.00 61.98 58.47 1bxy s VAL 54 Cb 0.12 -1.66 -0.03 0.00 0.56 0.00 0.00 36.38 35.38 1bxy s VAL 54 CO 0.69 -0.32 -0.12 -0.60 -0.31 0.00 0.00 175.10 174.43 1bxy s ARG 55 N -2.61 2.71 -0.07 4.82 3.52 0.61 -4.84 118.95 123.08 1bxy s ARG 55 Ca 0.11 -0.66 0.03 0.00 -0.13 0.00 0.00 55.73 55.08 1bxy s ARG 55 Cb -0.06 -2.47 -0.02 0.00 -1.56 0.00 0.00 34.95 30.84 1bxy s ARG 55 CO 0.05 0.56 -0.16 0.08 -0.81 0.00 0.00 175.30 175.02 1bxy s VAL 56 N -0.56 2.87 0.05 7.11 1.01 -1.26 -1.23 120.40 128.39 1bxy s VAL 56 Ca 0.08 -0.77 -0.03 0.00 0.00 0.00 0.00 61.98 61.26 1bxy s VAL 56 Cb -0.12 -2.13 -0.03 0.00 0.00 0.00 0.00 36.38 34.10 1bxy s VAL 56 CO 0.01 0.57 0.04 -1.83 0.00 0.00 0.00 175.10 173.89 1bxy s GLU 57 N -0.31 0.64 -0.26 2.72 -1.05 -0.28 -4.96 118.70 115.20 1bxy s GLU 57 Ca 0.02 -1.05 -0.15 0.00 -0.15 0.00 0.00 54.97 53.65 1bxy s GLU 57 Cb -0.13 0.24 -0.04 0.00 -0.44 0.00 0.00 34.13 33.76 1bxy s GLU 57 CO 0.03 -0.15 0.36 0.08 0.95 0.00 0.00 175.26 176.53 1bxy s VAL 58 N -3.52 5.19 0.29 1.83 1.01 -1.26 -0.01 120.40 123.93 1bxy s VAL 58 Ca 0.03 0.56 0.01 0.00 0.00 0.00 0.00 61.98 62.58 1bxy s VAL 58 Cb 0.05 -3.69 -0.00 0.00 0.00 0.00 0.00 36.38 32.73 1bxy s VAL 58 CO -0.09 0.18 0.03 1.33 0.00 0.00 0.00 175.10 176.56 1bxy n VAL 59 N 4.99 0.00 1.07 2.92 0.24 -0.66 -4.96 118.33 121.93 1bxy n VAL 59 Ca -0.09 -1.49 0.12 0.00 -2.04 0.00 0.00 64.34 60.85 1bxy n VAL 59 Cb 0.51 0.38 0.16 0.00 -1.47 0.00 0.00 33.84 33.42 1bxy n VAL 59 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90