#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kno n PRO 2 N 0.00 0.00 -3.87 0.03 -0.04 -1.26 -4.76 135.00 125.10 3kno n PRO 2 Ca 0.00 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.35 3kno n PRO 2 Cb 0.00 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.36 3kno n PRO 2 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3kno s ARG 3 N 0.04 0.42 -0.04 0.54 0.52 -1.23 -3.76 118.95 115.43 3kno s ARG 3 Ca 0.00 -0.30 0.03 0.00 -0.52 0.00 0.00 55.73 54.94 3kno s ARG 3 Cb 0.00 0.17 0.00 0.00 0.52 0.00 0.00 34.95 35.65 3kno s ARG 3 CO 0.00 -0.09 -0.13 -1.17 0.02 0.00 0.00 175.30 173.93 3kno s LEU 4 N -1.12 1.82 -0.11 2.53 0.20 -0.81 -1.59 118.68 119.61 3kno s LEU 4 Ca -0.12 -0.27 0.01 0.00 0.69 0.00 0.00 54.13 54.43 3kno s LEU 4 Cb -0.07 -0.77 -0.02 0.00 -0.43 0.00 0.00 46.19 44.90 3kno s LEU 4 CO 0.01 0.10 -0.12 -0.75 -0.29 0.00 0.00 176.35 175.30 3kno s LYS 5 N 0.19 3.12 -0.03 1.98 2.20 0.18 -1.64 119.74 125.75 3kno s LYS 5 Ca -0.05 -0.67 0.02 0.00 -0.36 0.00 0.00 55.97 54.92 3kno s LYS 5 Cb -0.11 -2.58 0.01 0.00 -1.51 0.00 0.00 37.83 33.64 3kno s LYS 5 CO 0.02 0.36 -0.08 0.14 -0.36 0.00 0.00 175.35 175.43 3kno s VAL 6 N -0.03 0.73 -0.28 4.02 -7.23 -0.67 -1.86 120.40 115.09 3kno s VAL 6 Ca -0.03 -0.31 -0.02 0.00 -1.81 0.00 0.00 61.98 59.81 3kno s VAL 6 Cb -0.14 -0.67 0.04 0.00 0.56 0.00 0.00 36.38 36.17 3kno s VAL 6 CO 0.04 0.24 -0.02 -0.75 -0.31 0.00 0.00 175.10 174.30 3kno s LYS 7 N 0.36 2.66 -0.29 4.82 2.20 -1.22 0.37 119.74 128.64 3kno s LYS 7 Ca -0.06 -1.10 -0.29 0.00 -0.36 0.00 0.00 55.97 54.16 3kno s LYS 7 Cb -0.10 -3.11 -0.02 0.00 -1.51 0.00 0.00 37.83 33.09 3kno s LYS 7 CO 0.01 -0.51 1.74 -1.17 -0.36 0.00 0.00 175.35 175.06 3kno s LEU 8 N 1.31 3.63 -0.01 5.43 1.98 -0.64 -2.33 118.68 128.05 3kno s LEU 8 Ca -0.02 1.42 0.18 0.00 -2.89 0.00 0.00 54.13 52.81 3kno s LEU 8 Cb -0.18 -3.53 -0.23 0.00 0.66 0.00 0.00 46.19 42.91 3kno s LEU 8 CO -0.02 -1.56 0.57 1.33 -1.89 0.00 0.00 176.35 174.78 3kno n VAL 9 N 7.10 0.00 -2.96 1.68 0.24 -0.90 0.13 118.33 123.62 3kno n VAL 9 Ca 0.22 -0.24 -0.05 0.00 -2.04 0.00 0.00 64.34 62.22 3kno n VAL 9 Cb 0.46 0.57 0.02 0.00 -1.47 0.00 0.00 33.84 33.42 3kno n VAL 9 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 3kno n LYS 10 N -1.75 0.85 -4.30 7.34 3.00 -0.69 -4.81 118.16 117.80 3kno n LYS 10 Ca 0.00 -0.85 -0.20 0.00 -0.00 0.00 0.00 58.31 57.25 3kno n LYS 10 Cb 0.36 -0.08 -0.16 0.00 0.00 0.00 0.00 35.03 35.16 3kno n LYS 10 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 3kno s SER 11 N -2.00 1.11 0.15 3.14 0.15 -1.26 -4.77 113.70 110.21 3kno s SER 11 Ca 0.17 -0.17 -0.15 0.00 0.70 0.00 0.00 55.95 56.50 3kno s SER 11 Cb -0.01 -0.44 0.02 0.00 -1.71 0.00 0.00 66.02 63.88 3kno s SER 11 CO 0.11 0.00 1.73 -0.65 1.20 0.00 0.00 173.24 175.63 3kno h PRO 12 N 6.83 0.67 -1.34 5.44 0.11 -1.98 -3.44 132.00 138.28 3kno h PRO 12 Ca -0.35 -0.10 -0.14 0.00 0.11 0.00 0.00 66.00 65.51 3kno h PRO 12 Cb 1.17 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.14 3kno h PRO 12 CO 0.48 0.57 0.43 -0.89 -0.21 0.00 0.00 178.00 178.38 3kno n ILE 13 N -4.64 0.00 -0.10 4.15 -0.00 -1.26 0.02 119.36 117.53 3kno n ILE 13 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.76 3kno n ILE 13 Cb 0.12 -0.13 0.00 0.00 -0.00 0.00 0.00 39.64 39.63 3kno n ILE 13 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 3kno n GLY 14 N 1.73 1.70 3.07 7.39 0.00 -1.26 -5.11 105.19 112.72 3kno n GLY 14 Ca 0.17 -0.05 -0.13 0.00 0.00 0.00 0.00 46.02 46.01 3kno n GLY 14 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kno s TYR 15 N -2.00 0.68 0.10 1.61 1.51 0.10 -5.12 117.35 114.23 3kno s TYR 15 Ca 0.00 -0.54 -0.35 0.00 -1.01 0.00 0.00 57.07 55.16 3kno s TYR 15 Cb 0.00 -0.41 -0.17 0.00 -0.11 0.00 0.00 41.96 41.27 3kno s TYR 15 CO 0.00 -0.10 1.08 -2.30 -1.11 0.00 0.00 175.55 173.13 3kno n PRO 16 N 1.31 0.64 -0.30 -1.71 -0.02 -1.26 -4.73 135.00 128.93 3kno n PRO 16 Ca -0.22 0.23 -0.05 0.00 -2.02 0.00 0.00 63.50 61.44 3kno n PRO 16 Cb 0.55 -1.69 -0.03 0.00 -0.02 0.00 0.00 33.50 32.31 3kno n PRO 16 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3kno n LYS 17 N 1.72 -0.26 -0.15 -0.52 4.76 -1.26 -0.45 118.16 122.00 3kno n LYS 17 Ca 0.18 1.12 -0.11 0.00 -2.87 0.00 0.00 58.31 56.62 3kno n LYS 17 Cb 0.18 -1.65 -0.07 0.00 -1.84 0.00 0.00 35.03 31.65 3kno n LYS 17 CO 0.00 0.00 0.00 0.38 -1.37 0.00 0.00 177.40 176.41 3kno h ASP 18 N 0.00 -1.64 -1.12 4.39 2.03 -1.97 0.50 116.42 118.61 3kno h ASP 18 Ca 0.18 0.24 0.31 0.00 -0.73 0.00 0.00 57.03 57.02 3kno h ASP 18 Cb 0.36 0.70 -0.08 0.00 -0.83 0.00 0.00 39.33 39.48 3kno h ASP 18 CO -0.71 -0.38 0.74 1.56 -1.03 0.00 0.00 179.24 179.43 3kno h GLN 19 N -0.33 0.24 -0.32 4.15 4.20 -1.10 3.83 115.11 125.79 3kno h GLN 19 Ca 0.12 -0.01 -0.13 0.00 0.06 0.00 0.00 58.65 58.68 3kno h GLN 19 Cb 0.58 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.30 3kno h GLN 19 CO -0.62 0.16 -0.35 0.87 -0.67 0.00 0.00 178.83 178.22 3kno h LYS 20 N 0.25 0.71 0.00 1.46 1.57 0.19 -2.18 116.57 118.58 3kno h LYS 20 Ca 0.61 -0.34 -0.11 0.00 -1.87 0.00 0.00 60.65 58.94 3kno h LYS 20 Cb 1.85 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 34.14 3kno h LYS 20 CO -0.23 0.95 -0.54 0.00 -0.57 0.00 0.00 179.45 179.07 3kno h ALA 21 N 1.01 0.82 0.00 3.86 0.00 0.85 -1.43 119.26 124.37 3kno h ALA 21 Ca 0.06 -0.49 -0.06 0.00 0.00 0.00 0.00 54.91 54.42 3kno h ALA 21 Cb 0.88 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 3kno h ALA 21 CO 0.08 0.67 -0.30 0.00 0.00 0.00 0.00 179.25 179.70 3kno h ALA 22 N 1.46 1.14 0.18 0.00 0.00 0.36 0.26 119.26 122.68 3kno h ALA 22 Ca -0.01 -0.27 -0.35 0.00 0.00 0.00 0.00 54.91 54.28 3kno h ALA 22 Cb 1.17 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.92 3kno h ALA 22 CO 0.07 0.38 -1.73 -0.07 0.00 0.00 0.00 179.25 177.90 3kno h LEU 23 N 0.00 0.61 -1.59 0.00 4.07 -1.09 -2.88 115.31 114.44 3kno h LEU 23 Ca -0.00 -0.89 -0.05 0.00 0.08 0.00 0.00 57.88 57.02 3kno h LEU 23 Cb 0.70 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 42.24 3kno h LEU 23 CO 0.04 1.75 -0.21 0.50 -1.08 0.00 0.00 178.44 179.44 3kno h LYS 24 N 0.11 0.00 0.04 1.13 3.64 -0.97 -0.79 116.57 119.72 3kno h LYS 24 Ca -0.33 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.04 3kno h LYS 24 Cb 2.10 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.92 3kno h LYS 24 CO 0.18 0.21 -0.02 0.00 -2.27 0.00 0.00 179.45 177.56 3kno h ALA 25 N 1.79 -0.05 -0.08 5.00 0.00 -0.49 -3.00 119.26 122.42 3kno h ALA 25 Ca -0.00 -0.10 -0.44 0.00 0.00 0.00 0.00 54.91 54.37 3kno h ALA 25 Cb 0.39 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 3kno h ALA 25 CO 0.03 -0.43 1.57 1.28 0.00 0.00 0.00 179.25 181.69 3kno n LEU 26 N -5.02 6.94 -1.56 0.00 4.77 -0.95 -4.77 117.00 116.42 3kno n LEU 26 Ca -0.08 -3.83 0.00 0.00 -0.03 0.00 0.00 56.01 52.07 3kno n LEU 26 Cb 0.13 -1.46 0.00 0.00 -2.33 0.00 0.00 43.42 39.76 3kno n LEU 26 CO 0.33 1.88 0.00 0.61 -1.33 0.00 0.00 177.39 178.88 3kno n GLY 27 N 2.78 -0.24 3.89 -0.72 0.00 -1.13 -4.91 105.19 104.86 3kno n GLY 27 Ca 0.59 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.31 3kno n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kno s LEU 28 N -2.96 4.04 0.17 0.99 1.43 -0.34 -4.98 118.68 117.02 3kno s LEU 28 Ca 0.00 0.90 0.00 0.00 -1.03 0.00 0.00 54.13 54.00 3kno s LEU 28 Cb 0.00 -3.71 0.00 0.00 0.03 0.00 0.00 46.19 42.51 3kno s LEU 28 CO 0.00 -0.20 0.00 0.54 0.23 0.00 0.00 176.35 176.92 3kno n ARG 29 N -0.74 0.00 -3.23 1.70 5.12 -1.26 -4.25 116.66 114.00 3kno n ARG 29 Ca 0.00 0.00 -0.22 0.00 -1.93 0.00 0.00 57.85 55.71 3kno n ARG 29 Cb 0.53 0.00 0.05 0.00 -1.16 0.00 0.00 32.46 31.89 3kno n ARG 29 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3kno n ARG 30 N -3.06 0.61 -3.51 5.56 1.74 -1.26 -5.11 116.66 111.62 3kno n ARG 30 Ca 0.00 -3.29 -0.22 0.00 -0.77 0.00 0.00 57.85 53.57 3kno n ARG 30 Cb 0.00 -0.11 -0.01 0.00 -1.02 0.00 0.00 32.46 31.33 3kno n ARG 30 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3kno s LEU 31 N 0.00 4.03 -0.86 0.55 0.20 -1.26 -4.49 118.68 116.85 3kno s LEU 31 Ca 0.56 0.14 -0.05 0.00 0.69 0.00 0.00 54.13 55.47 3kno s LEU 31 Cb -0.04 -3.01 -0.00 0.00 -0.43 0.00 0.00 46.19 42.71 3kno s LEU 31 CO 0.35 -0.33 0.69 0.00 -0.29 0.00 0.00 176.35 176.77 3kno n GLN 32 N -1.69 -1.39 -3.73 1.98 1.13 0.12 -4.98 117.38 108.81 3kno n GLN 32 Ca -0.04 0.99 -0.16 0.00 -1.94 0.00 0.00 57.00 55.85 3kno n GLN 32 Cb 0.57 -4.12 -0.16 0.00 0.11 0.00 0.00 30.24 26.64 3kno n GLN 32 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 3kno s GLN 33 N -4.39 -0.02 -0.06 -1.09 0.74 -1.21 -4.96 119.66 108.67 3kno s GLN 33 Ca 0.11 0.30 -0.14 0.00 0.05 0.00 0.00 55.36 55.69 3kno s GLN 33 Cb -0.04 -0.30 -0.05 0.00 1.10 0.00 0.00 33.01 33.72 3kno s GLN 33 CO 0.83 -0.22 0.35 -1.21 -0.55 0.00 0.00 175.29 174.49 3kno s GLU 34 N 1.46 3.94 -0.17 1.67 2.02 -1.26 -1.63 118.70 124.73 3kno s GLU 34 Ca -0.05 0.27 0.00 0.00 0.02 0.00 0.00 54.97 55.21 3kno s GLU 34 Cb -0.12 -3.27 0.04 0.00 0.10 0.00 0.00 34.13 30.87 3kno s GLU 34 CO -0.04 0.58 -0.08 0.50 0.02 0.00 0.00 175.26 176.24 3kno s ARG 35 N -0.64 1.75 -1.27 1.61 6.06 0.16 -4.94 118.95 121.68 3kno s ARG 35 Ca 0.21 -0.64 -0.14 0.00 -2.50 0.00 0.00 55.73 52.67 3kno s ARG 35 Cb -0.15 -2.16 0.14 0.00 0.06 0.00 0.00 34.95 32.84 3kno s ARG 35 CO 0.10 -0.41 1.66 1.33 -2.50 0.00 0.00 175.30 175.48 3kno n VAL 36 N 4.79 4.15 -3.50 7.11 0.24 -1.26 -1.67 118.33 128.20 3kno n VAL 36 Ca -0.13 -4.39 -0.20 0.00 -2.04 0.00 0.00 64.34 57.57 3kno n VAL 36 Cb 0.48 -2.43 -0.01 0.00 -1.47 0.00 0.00 33.84 30.41 3kno n VAL 36 CO 0.00 0.00 0.00 -1.48 -2.14 0.00 0.00 176.83 173.21 3kno s LEU 37 N 1.78 4.00 0.88 1.34 2.34 -0.65 -4.96 118.68 123.40 3kno s LEU 37 Ca 0.45 -0.05 -0.11 0.00 0.06 0.00 0.00 54.13 54.48 3kno s LEU 37 Cb 0.03 -2.85 0.12 0.00 -0.56 0.00 0.00 46.19 42.93 3kno s LEU 37 CO 0.01 -0.39 1.10 -0.70 -1.06 0.00 0.00 176.35 175.31 3kno s GLU 38 N -4.19 1.36 -0.42 1.48 2.56 -1.26 -1.92 118.70 116.30 3kno s GLU 38 Ca 0.43 1.20 0.01 0.00 0.00 0.00 0.00 54.97 56.61 3kno s GLU 38 Cb -0.09 -1.79 0.11 0.00 2.00 0.00 0.00 34.13 34.36 3kno s GLU 38 CO 0.32 -2.28 0.17 0.34 -0.56 0.00 0.00 175.26 173.25 3kno s ASP 39 N -3.08 4.93 -0.13 -1.70 2.15 -1.25 -4.43 116.67 113.17 3kno s ASP 39 Ca 0.64 -2.29 -0.14 0.00 0.43 0.00 0.00 52.55 51.19 3kno s ASP 39 Cb -0.20 -1.73 0.04 0.00 -0.30 0.00 0.00 42.92 40.73 3kno s ASP 39 CO 0.58 -0.42 0.38 0.42 -0.17 0.00 0.00 175.17 175.96 3kno s THR 40 N 0.74 0.01 0.12 1.71 -4.23 -1.26 -4.61 115.64 108.12 3kno s THR 40 Ca 0.11 -0.06 0.07 0.00 -1.18 0.00 0.00 61.69 60.63 3kno s THR 40 Cb -0.21 -0.56 0.11 0.00 1.34 0.00 0.00 72.50 73.18 3kno s THR 40 CO -0.05 -0.03 0.51 -2.65 -0.54 0.00 0.00 174.62 171.86 3kno n PRO 41 N 2.62 -0.02 0.27 3.99 -0.02 -1.26 0.25 135.00 140.83 3kno n PRO 41 Ca -0.14 0.45 0.16 0.00 -2.02 0.00 0.00 63.50 61.95 3kno n PRO 41 Cb 0.57 -0.81 0.69 0.00 -0.02 0.00 0.00 33.50 33.94 3kno n PRO 41 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kno h ALA 42 N 0.65 1.03 0.00 3.55 0.00 -1.99 0.14 119.26 122.65 3kno h ALA 42 Ca 0.28 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 55.00 3kno h ALA 42 Cb 0.73 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 3kno h ALA 42 CO -0.25 0.07 -1.11 -0.89 0.00 0.00 0.00 179.25 177.07 3kno n ILE 43 N -3.20 1.48 -0.11 0.00 2.08 0.68 -4.10 119.36 116.20 3kno n ILE 43 Ca -0.00 0.04 0.18 0.00 0.56 0.00 0.00 62.75 63.54 3kno n ILE 43 Cb 0.30 -2.20 0.59 0.00 -0.75 0.00 0.00 39.64 37.58 3kno n ILE 43 CO 0.00 0.00 0.00 0.03 0.56 0.00 0.00 176.55 177.14 3kno h ARG 44 N -1.00 0.23 -0.02 0.38 3.08 -1.50 0.16 114.38 115.71 3kno h ARG 44 Ca -0.21 -0.01 0.02 0.00 0.07 0.00 0.00 59.98 59.84 3kno h ARG 44 Cb 0.99 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.95 3kno h ARG 44 CO -0.13 0.15 -0.43 0.78 -1.07 0.00 0.00 179.97 179.27 3kno h GLY 45 N 0.23 -1.18 0.78 0.04 0.00 -0.86 2.33 103.07 104.41 3kno h GLY 45 Ca 0.34 0.66 -0.04 0.00 0.00 0.00 0.00 47.33 48.28 3kno h GLY 45 CO -0.07 -0.29 -0.38 3.43 0.00 0.00 0.00 176.54 179.23 3kno h ASN 46 N -0.53 -0.89 -0.86 0.19 4.21 -1.48 -1.98 115.58 114.25 3kno h ASN 46 Ca 0.01 0.03 0.36 0.00 1.21 0.00 0.00 56.30 57.91 3kno h ASN 46 Cb 0.57 0.23 -0.16 0.00 -1.12 0.00 0.00 38.32 37.85 3kno h ASN 46 CO -0.30 -0.52 0.44 0.52 -1.29 0.00 0.00 177.43 176.28 3kno n VAL 47 N -5.46 -0.36 -0.09 2.81 0.31 0.47 0.26 118.33 116.26 3kno n VAL 47 Ca -0.13 1.76 -0.12 0.00 -0.01 0.00 0.00 64.34 65.84 3kno n VAL 47 Cb 0.41 -2.85 -0.04 0.00 -0.91 0.00 0.00 33.84 30.46 3kno n VAL 47 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3kno h GLU 48 N 0.00 0.60 -0.36 5.55 4.39 0.43 -3.01 114.58 122.17 3kno h GLU 48 Ca 0.72 -0.27 -0.02 0.00 0.34 0.00 0.00 59.36 60.13 3kno h GLU 48 Cb 1.89 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 30.52 3kno h GLU 48 CO -0.67 0.85 0.15 -0.22 -1.16 0.00 0.00 179.01 177.95 3kno h LYS 49 N 0.33 0.54 -0.68 2.33 3.64 0.43 -2.80 116.57 120.36 3kno h LYS 49 Ca 0.06 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3kno h LYS 49 Cb 0.68 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 3kno h LYS 49 CO 0.05 0.52 0.00 1.33 -2.27 0.00 0.00 179.45 179.07 3kno n VAL 50 N -4.69 0.89 -0.33 2.00 0.24 -0.39 -4.48 118.33 111.57 3kno n VAL 50 Ca -0.01 -0.51 0.25 0.00 -2.04 0.00 0.00 64.34 62.03 3kno n VAL 50 Cb 0.14 -0.23 0.47 0.00 -1.47 0.00 0.00 33.84 32.75 3kno n VAL 50 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3kno h ALA 51 N 3.02 1.83 0.00 2.33 0.00 -1.35 1.60 119.26 126.68 3kno h ALA 51 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3kno h ALA 51 Cb 0.88 0.34 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3kno h ALA 51 CO 0.14 -0.74 0.00 -2.39 0.00 0.00 0.00 179.25 176.25 3kno n HIS 52 N -5.26 0.00 -0.04 0.00 1.44 -1.26 -3.39 115.22 106.71 3kno n HIS 52 Ca 0.32 0.00 -0.08 0.00 -2.01 0.00 0.00 57.72 55.95 3kno n HIS 52 Cb 1.05 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 31.13 3kno n HIS 52 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3kno n LEU 53 N -0.73 0.97 -4.45 2.39 4.77 0.54 -4.81 117.00 115.68 3kno n LEU 53 Ca 0.09 0.07 -0.33 0.00 -0.03 0.00 0.00 56.01 55.80 3kno n LEU 53 Cb 0.04 -0.23 -0.13 0.00 -2.33 0.00 0.00 43.42 40.77 3kno n LEU 53 CO 0.06 0.24 -0.42 -0.69 -1.33 0.00 0.00 177.39 175.26 3kno s VAL 54 N -2.14 3.36 -0.75 4.08 1.01 -0.73 -1.71 120.40 123.52 3kno s VAL 54 Ca -0.11 -0.57 -0.24 0.00 0.00 0.00 0.00 61.98 61.06 3kno s VAL 54 Cb 0.04 -2.40 0.06 0.00 0.00 0.00 0.00 36.38 34.07 3kno s VAL 54 CO 0.14 0.54 1.15 -0.13 0.00 0.00 0.00 175.10 176.80 3kno s ARG 55 N -0.02 3.23 1.16 2.72 0.52 -0.98 -4.65 118.95 120.93 3kno s ARG 55 Ca -0.02 -0.73 -0.17 0.00 -0.52 0.00 0.00 55.73 54.28 3kno s ARG 55 Cb -0.14 -4.39 0.21 0.00 0.52 0.00 0.00 34.95 31.15 3kno s ARG 55 CO 0.04 -1.98 0.40 0.28 0.02 0.00 0.00 175.30 174.06 3kno n VAL 56 N 6.15 0.00 0.00 3.52 0.31 -1.26 -3.45 118.33 123.60 3kno n VAL 56 Ca 0.05 -0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 3kno n VAL 56 Cb 0.48 -0.68 0.00 0.00 -0.91 0.00 0.00 33.84 32.73 3kno n VAL 56 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3kno n GLU 57 N -3.03 0.00 -2.66 5.55 2.13 -0.78 -4.89 120.64 116.96 3kno n GLU 57 Ca 0.05 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.47 3kno n GLU 57 Cb 0.50 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 32.17 3kno n GLU 57 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 3kno s VAL 58 N 0.00 4.12 -0.13 6.31 -7.23 -1.26 -0.64 120.40 121.56 3kno s VAL 58 Ca 0.00 1.92 -0.21 0.00 -1.81 0.00 0.00 61.98 61.88 3kno s VAL 58 Cb 0.00 -4.23 0.05 0.00 0.56 0.00 0.00 36.38 32.76 3kno s VAL 58 CO 0.00 0.37 0.53 -0.69 -0.31 0.00 0.00 175.10 175.01 3kno s VAL 59 N -0.56 0.01 0.00 1.32 1.01 -0.62 -4.92 120.40 116.64 3kno s VAL 59 Ca 0.45 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.34 3kno s VAL 59 Cb -0.26 -0.79 0.00 0.00 0.00 0.00 0.00 36.38 35.33 3kno s VAL 59 CO 0.33 -0.05 0.00 1.21 0.00 0.00 0.00 175.10 176.59