#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kni n PRO 2 N 0.00 2.33 -4.36 0.03 -0.04 -1.26 -4.78 135.00 126.92 3kni n PRO 2 Ca 0.00 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.27 3kni n PRO 2 Cb 0.00 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.31 3kni n PRO 2 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 3kni s ARG 3 N 0.00 0.76 -0.04 0.54 3.52 -0.95 -3.66 118.95 119.12 3kni s ARG 3 Ca 0.00 -0.31 0.00 0.00 -0.13 0.00 0.00 55.73 55.29 3kni s ARG 3 Cb 0.00 -0.73 -0.03 0.00 -1.56 0.00 0.00 34.95 32.63 3kni s ARG 3 CO 0.00 0.18 -0.02 -0.51 -0.81 0.00 0.00 175.30 174.13 3kni s LEU 4 N -0.13 3.42 -0.30 -0.88 1.43 0.66 -0.73 118.68 122.13 3kni s LEU 4 Ca 0.02 0.03 0.00 0.00 -1.03 0.00 0.00 54.13 53.15 3kni s LEU 4 Cb -0.04 -1.85 0.09 0.00 0.03 0.00 0.00 46.19 44.42 3kni s LEU 4 CO -0.00 0.33 0.07 -0.75 0.23 0.00 0.00 176.35 176.23 3kni s LYS 5 N -1.15 0.97 -0.12 1.70 2.20 -0.53 0.31 119.74 123.13 3kni s LYS 5 Ca 0.16 -1.22 -0.02 0.00 -0.36 0.00 0.00 55.97 54.53 3kni s LYS 5 Cb -0.11 -2.33 -0.03 0.00 -1.51 0.00 0.00 37.83 33.85 3kni s LYS 5 CO 0.05 -0.92 -0.05 0.14 -0.36 0.00 0.00 175.35 174.21 3kni s VAL 6 N 1.44 3.84 -0.14 4.02 -7.23 -0.02 -1.23 120.40 121.08 3kni s VAL 6 Ca 0.08 -0.40 0.01 0.00 -1.81 0.00 0.00 61.98 59.86 3kni s VAL 6 Cb -0.18 -2.63 0.02 0.00 0.56 0.00 0.00 36.38 34.15 3kni s VAL 6 CO -0.19 0.54 -0.14 -0.75 -0.31 0.00 0.00 175.10 174.26 3kni s LYS 7 N -0.15 2.24 -0.52 4.82 2.20 -0.96 -0.43 119.74 126.93 3kni s LYS 7 Ca 0.03 -0.54 -0.27 0.00 -0.36 0.00 0.00 55.97 54.82 3kni s LYS 7 Cb -0.13 -2.03 -0.01 0.00 -1.51 0.00 0.00 37.83 34.15 3kni s LYS 7 CO 0.03 -0.20 1.75 -1.17 -0.36 0.00 0.00 175.35 175.39 3kni s LEU 8 N 1.40 3.38 -0.02 5.43 1.98 -0.99 -1.97 118.68 127.89 3kni s LEU 8 Ca 0.03 0.61 0.21 0.00 -2.89 0.00 0.00 54.13 52.09 3kni s LEU 8 Cb -0.13 -2.93 -0.29 0.00 0.66 0.00 0.00 46.19 43.50 3kni s LEU 8 CO -0.09 -2.04 0.59 1.33 -1.89 0.00 0.00 176.35 174.25 3kni n VAL 9 N 7.20 0.00 -4.90 1.68 0.24 -0.31 -0.75 118.33 121.49 3kni n VAL 9 Ca 0.20 -0.33 -0.28 0.00 -2.04 0.00 0.00 64.34 61.88 3kni n VAL 9 Cb 0.50 0.33 -0.15 0.00 -1.47 0.00 0.00 33.84 33.05 3kni n VAL 9 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3kni s LYS 10 N -3.28 1.69 0.20 7.34 2.20 -1.20 -4.88 119.74 121.81 3kni s LYS 10 Ca -0.03 -0.97 -0.31 0.00 -0.36 0.00 0.00 55.97 54.31 3kni s LYS 10 Cb 0.14 -1.78 -0.10 0.00 -1.51 0.00 0.00 37.83 34.58 3kni s LYS 10 CO 0.86 0.47 1.52 0.45 -0.36 0.00 0.00 175.35 178.28 3kni s SER 11 N -1.00 6.61 0.45 1.43 0.15 -1.26 -4.88 113.70 115.20 3kni s SER 11 Ca 0.09 2.64 0.12 0.00 0.70 0.00 0.00 55.95 59.50 3kni s SER 11 Cb -0.09 -2.60 1.01 0.00 -1.71 0.00 0.00 66.02 62.62 3kni s SER 11 CO 0.01 -0.78 2.04 -0.65 1.20 0.00 0.00 173.24 175.06 3kni h PRO 12 N 6.12 0.18 -6.11 5.44 0.11 -1.99 -3.46 132.00 132.30 3kni h PRO 12 Ca -0.44 -0.02 -0.69 0.00 0.11 0.00 0.00 66.00 64.96 3kni h PRO 12 Cb 1.21 -0.03 0.09 0.00 0.11 0.00 0.00 31.00 32.37 3kni h PRO 12 CO 0.86 0.21 -0.15 -0.89 -0.21 0.00 0.00 178.00 177.82 3kni n ILE 13 N -4.42 1.22 -0.91 4.15 5.41 -1.26 -1.50 119.36 122.06 3kni n ILE 13 Ca -0.01 -0.30 0.00 0.00 1.00 0.00 0.00 62.75 63.44 3kni n ILE 13 Cb 0.16 -0.25 0.00 0.00 -0.71 0.00 0.00 39.64 38.83 3kni n ILE 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3kni n GLY 14 N 1.81 0.76 3.99 7.39 0.00 -1.26 -5.00 105.19 112.87 3kni n GLY 14 Ca 0.17 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.00 3kni n GLY 14 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3kni s TYR 15 N -3.25 3.09 0.48 1.61 1.51 -0.56 -5.08 117.35 115.15 3kni s TYR 15 Ca 0.00 -0.23 -0.24 0.00 -1.01 0.00 0.00 57.07 55.59 3kni s TYR 15 Cb 0.00 -2.03 -0.07 0.00 -0.11 0.00 0.00 41.96 39.74 3kni s TYR 15 CO 0.00 -0.05 1.37 -2.30 -1.11 0.00 0.00 175.55 173.46 3kni n PRO 16 N -1.66 1.97 0.00 -1.71 -0.02 -1.26 -4.84 135.00 127.48 3kni n PRO 16 Ca 0.01 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 3kni n PRO 16 Cb 0.58 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 3kni n PRO 16 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3kni n LYS 17 N -0.44 0.00 -0.32 -0.52 4.01 -1.26 -1.25 118.16 118.37 3kni n LYS 17 Ca 0.07 0.82 0.21 0.00 -0.51 0.00 0.00 58.31 58.90 3kni n LYS 17 Cb 0.42 -1.42 0.42 0.00 -0.51 0.00 0.00 35.03 33.95 3kni n LYS 17 CO 0.00 0.00 0.00 0.38 -1.11 0.00 0.00 177.40 176.67 3kni h ASP 18 N 0.00 0.33 -0.69 4.39 3.04 -1.98 1.16 116.42 122.66 3kni h ASP 18 Ca 0.00 0.20 -0.03 0.00 -3.24 0.00 0.00 57.03 53.96 3kni h ASP 18 Cb 0.00 0.19 -0.03 0.00 -1.04 0.00 0.00 39.33 38.45 3kni h ASP 18 CO 0.00 -0.16 0.33 1.56 -2.04 0.00 0.00 179.24 178.93 3kni h GLN 19 N 0.27 1.03 -0.39 4.15 4.20 -1.67 -1.22 115.11 121.48 3kni h GLN 19 Ca 0.68 -0.15 -0.07 0.00 0.06 0.00 0.00 58.65 59.18 3kni h GLN 19 Cb 1.52 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 29.10 3kni h GLN 19 CO -0.64 0.81 -0.02 0.87 -0.67 0.00 0.00 178.83 179.18 3kni h LYS 20 N 1.02 0.70 -0.86 1.46 1.57 0.27 -2.78 116.57 117.95 3kni h LYS 20 Ca 0.25 -0.23 0.13 0.00 -1.87 0.00 0.00 60.65 58.92 3kni h LYS 20 Cb 0.13 -0.06 -0.06 0.00 0.08 0.00 0.00 32.23 32.32 3kni h LYS 20 CO -0.03 0.80 0.56 0.00 -0.57 0.00 0.00 179.45 180.21 3kni h ALA 21 N 0.87 1.80 0.19 3.86 0.00 -0.33 -2.69 119.26 122.97 3kni h ALA 21 Ca 0.11 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.03 3kni h ALA 21 Cb 0.50 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 3kni h ALA 21 CO 0.02 -0.01 -0.52 0.00 0.00 0.00 0.00 179.25 178.74 3kni h ALA 22 N 1.59 -1.03 -0.12 0.00 0.00 -0.94 -0.75 119.26 118.01 3kni h ALA 22 Ca 0.42 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.24 3kni h ALA 22 Cb 0.61 0.87 -0.00 0.00 0.00 0.00 0.00 17.79 19.27 3kni h ALA 22 CO -0.18 -1.14 0.45 -0.07 0.00 0.00 0.00 179.25 178.30 3kni h LEU 23 N -0.80 0.00 0.24 0.00 4.07 -1.55 0.21 115.31 117.47 3kni h LEU 23 Ca -0.02 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.93 3kni h LEU 23 Cb 0.78 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.52 3kni h LEU 23 CO -0.24 0.00 -0.11 0.50 -1.08 0.00 0.00 178.44 177.50 3kni h LYS 24 N 0.00 -0.31 -0.01 1.13 1.63 -1.16 4.64 116.57 122.49 3kni h LYS 24 Ca 0.06 0.02 0.03 0.00 -0.85 0.00 0.00 60.65 59.91 3kni h LYS 24 Cb 0.95 0.07 -0.06 0.00 -0.60 0.00 0.00 32.23 32.59 3kni h LYS 24 CO -0.00 0.03 -0.43 0.00 -3.45 0.00 0.00 179.45 175.60 3kni h ALA 25 N -0.56 -0.70 -0.94 5.00 0.00 -0.40 2.44 119.26 124.09 3kni h ALA 25 Ca -0.03 -0.05 0.21 0.00 0.00 0.00 0.00 54.91 55.04 3kni h ALA 25 Cb 0.48 0.77 -0.08 0.00 0.00 0.00 0.00 17.79 18.97 3kni h ALA 25 CO 0.05 -0.97 0.61 -0.07 0.00 0.00 0.00 179.25 178.87 3kni h LEU 26 N -0.58 0.49 0.00 0.00 3.38 -0.78 -3.45 115.31 114.37 3kni h LEU 26 Ca 0.05 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3kni h LEU 26 Cb 0.66 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.38 3kni h LEU 26 CO -0.33 0.18 0.00 0.61 0.09 0.00 0.00 178.44 178.99 3kni n GLY 27 N -1.47 1.06 3.51 0.83 0.00 0.82 -5.00 105.19 104.94 3kni n GLY 27 Ca 0.21 -0.40 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 3kni n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kni s LEU 28 N 0.00 4.35 0.00 0.99 1.43 1.42 -4.93 118.68 121.93 3kni s LEU 28 Ca 0.00 -0.40 0.00 0.00 -1.03 0.00 0.00 54.13 52.70 3kni s LEU 28 Cb 0.00 -2.78 0.00 0.00 0.03 0.00 0.00 46.19 43.44 3kni s LEU 28 CO 0.00 -1.05 0.14 0.54 0.23 0.00 0.00 176.35 176.21 3kni n ARG 29 N 6.92 0.00 -4.37 1.70 1.74 -1.26 -4.52 116.66 116.87 3kni n ARG 29 Ca 0.00 0.36 -0.23 0.00 -0.77 0.00 0.00 57.85 57.21 3kni n ARG 29 Cb 0.47 -0.94 -0.11 0.00 -1.02 0.00 0.00 32.46 30.86 3kni n ARG 29 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3kni s ARG 30 N -1.00 1.38 0.40 5.56 3.00 -1.26 -5.10 118.95 121.92 3kni s ARG 30 Ca 0.00 -1.49 -0.23 0.00 0.00 0.00 0.00 55.73 54.01 3kni s ARG 30 Cb 0.00 -1.49 -0.13 0.00 0.00 0.00 0.00 34.95 33.34 3kni s ARG 30 CO 0.00 0.30 0.60 1.28 0.00 0.00 0.00 175.30 177.49 3kni n LEU 31 N 0.15 0.18 0.00 2.53 4.77 -1.26 -1.96 117.00 121.40 3kni n LEU 31 Ca -0.12 0.95 0.00 0.00 -0.03 0.00 0.00 56.01 56.81 3kni n LEU 31 Cb 0.57 -1.13 0.00 0.00 -2.33 0.00 0.00 43.42 40.53 3kni n LEU 31 CO 0.30 -2.70 0.00 0.00 -1.33 0.00 0.00 177.39 173.66 3kni n GLN 32 N 0.61 0.00 -1.62 3.23 1.13 0.07 -4.99 117.38 115.81 3kni n GLN 32 Ca 0.12 0.00 -0.56 0.00 -1.94 0.00 0.00 57.00 54.61 3kni n GLN 32 Cb 0.38 -0.15 -0.07 0.00 0.11 0.00 0.00 30.24 30.51 3kni n GLN 32 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56 3kni n GLN 33 N -0.42 0.85 -4.10 -1.09 7.27 -0.83 -4.66 117.38 114.40 3kni n GLN 33 Ca 0.00 0.31 -0.35 0.00 0.07 0.00 0.00 57.00 57.03 3kni n GLN 33 Cb 0.00 -1.92 -0.11 0.00 2.41 0.00 0.00 30.24 30.61 3kni n GLN 33 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 3kni s GLU 34 N 1.41 3.76 0.21 3.69 2.02 -1.26 -2.35 118.70 126.18 3kni s GLU 34 Ca 0.91 -0.45 0.07 0.00 0.02 0.00 0.00 54.97 55.51 3kni s GLU 34 Cb -1.09 -3.12 -0.05 0.00 0.10 0.00 0.00 34.13 29.98 3kni s GLU 34 CO 0.57 0.14 -0.10 0.50 0.02 0.00 0.00 175.26 176.38 3kni s ARG 35 N 0.69 1.33 -0.05 1.61 3.52 0.42 -4.99 118.95 121.48 3kni s ARG 35 Ca 0.01 -1.62 0.01 0.00 -0.13 0.00 0.00 55.73 54.01 3kni s ARG 35 Cb -0.14 -0.99 0.02 0.00 -1.56 0.00 0.00 34.95 32.28 3kni s ARG 35 CO 0.02 0.11 -0.06 0.14 -0.81 0.00 0.00 175.30 174.69 3kni s VAL 36 N -3.08 0.69 0.40 7.11 -7.23 -1.26 -0.84 120.40 116.19 3kni s VAL 36 Ca 0.24 -0.21 0.02 0.00 -1.81 0.00 0.00 61.98 60.21 3kni s VAL 36 Cb 0.01 -0.69 -0.01 0.00 0.56 0.00 0.00 36.38 36.26 3kni s VAL 36 CO 0.07 0.26 0.06 0.18 -0.31 0.00 0.00 175.10 175.36 3kni n LEU 37 N 4.03 0.00 -4.59 1.32 4.77 0.15 -4.92 117.00 117.76 3kni n LEU 37 Ca -0.24 -2.72 -0.42 0.00 -0.03 0.00 0.00 56.01 52.60 3kni n LEU 37 Cb 0.51 0.60 -0.06 0.00 -2.33 0.00 0.00 43.42 42.14 3kni n LEU 37 CO 0.23 -0.40 0.46 -0.70 -1.33 0.00 0.00 177.39 175.65 3kni s GLU 38 N -3.46 3.82 -0.21 3.23 2.56 -1.26 -0.25 118.70 123.12 3kni s GLU 38 Ca 0.09 0.28 -0.28 0.00 0.00 0.00 0.00 54.97 55.06 3kni s GLU 38 Cb 0.00 -3.77 -0.05 0.00 2.00 0.00 0.00 34.13 32.32 3kni s GLU 38 CO 0.06 -0.70 2.16 0.34 -0.56 0.00 0.00 175.26 176.57 3kni s ASP 39 N 1.72 5.55 0.14 -1.70 2.15 -1.24 -4.81 116.67 118.48 3kni s ASP 39 Ca 0.28 1.88 -0.13 0.00 0.43 0.00 0.00 52.55 55.01 3kni s ASP 39 Cb -0.14 -2.51 0.01 0.00 -0.30 0.00 0.00 42.92 39.98 3kni s ASP 39 CO 0.14 -1.88 0.34 0.42 -0.17 0.00 0.00 175.17 174.01 3kni s THR 40 N 7.94 0.08 0.00 1.71 -4.23 -1.26 -4.66 115.64 115.22 3kni s THR 40 Ca 0.98 -0.97 0.00 0.00 -1.18 0.00 0.00 61.69 60.52 3kni s THR 40 Cb -0.32 -1.45 0.00 0.00 1.34 0.00 0.00 72.50 72.06 3kni s THR 40 CO 0.35 -0.36 0.73 -2.65 -0.54 0.00 0.00 174.62 172.15 3kni n PRO 41 N -0.20 0.00 -0.29 3.99 -0.02 -1.26 -0.81 135.00 136.42 3kni n PRO 41 Ca -0.13 0.73 0.09 0.00 -2.02 0.00 0.00 63.50 62.17 3kni n PRO 41 Cb 0.63 -1.23 0.22 0.00 -0.02 0.00 0.00 33.50 33.11 3kni n PRO 41 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kni h ALA 42 N -1.54 1.02 0.29 3.55 0.00 -1.99 0.33 119.26 120.91 3kni h ALA 42 Ca 0.00 0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 3kni h ALA 42 Cb 0.00 0.42 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3kni h ALA 42 CO 0.00 -0.46 -0.14 0.82 0.00 0.00 0.00 179.25 179.47 3kni h ILE 43 N 0.12 0.72 -0.88 0.00 1.08 -1.72 -1.76 117.51 115.07 3kni h ILE 43 Ca 0.49 -0.05 0.16 0.00 -0.39 0.00 0.00 64.86 65.08 3kni h ILE 43 Cb 0.94 0.75 -0.07 0.00 -3.07 0.00 0.00 36.82 35.37 3kni h ILE 43 CO -0.71 0.01 0.57 0.03 -0.69 0.00 0.00 178.15 177.37 3kni h ARG 44 N -0.42 0.56 0.00 2.37 3.08 0.54 -2.03 114.38 118.48 3kni h ARG 44 Ca -0.04 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.98 3kni h ARG 44 Cb 0.32 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.24 3kni h ARG 44 CO 0.07 0.37 0.00 0.41 -1.07 0.00 0.00 179.97 179.75 3kni n GLY 45 N -1.46 -3.32 0.29 0.04 0.00 -0.05 0.93 105.19 101.63 3kni n GLY 45 Ca 0.18 0.52 -0.09 0.00 0.00 0.00 0.00 46.02 46.62 3kni n GLY 45 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3kni h ASN 46 N 0.00 -0.84 -0.80 1.61 4.21 -1.44 -1.97 115.58 116.35 3kni h ASN 46 Ca 0.00 0.14 0.08 0.00 1.21 0.00 0.00 56.30 57.73 3kni h ASN 46 Cb 0.00 0.37 -0.11 0.00 -1.12 0.00 0.00 38.32 37.46 3kni h ASN 46 CO 0.00 -0.31 -0.56 0.58 -1.29 0.00 0.00 177.43 175.85 3kni h VAL 47 N -0.31 0.01 -0.92 2.81 2.07 -1.06 0.84 116.25 119.68 3kni h VAL 47 Ca 0.11 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.86 3kni h VAL 47 Cb 0.49 0.01 -0.12 0.00 -1.52 0.00 0.00 31.29 30.14 3kni h VAL 47 CO -0.35 0.00 0.45 -0.33 0.02 0.00 0.00 177.57 177.35 3kni h GLU 48 N -0.13 0.44 0.00 1.57 4.39 0.12 -0.96 114.58 120.01 3kni h GLU 48 Ca 0.14 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.82 3kni h GLU 48 Cb 0.48 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 3kni h GLU 48 CO -0.83 0.29 0.00 -0.22 -1.16 0.00 0.00 179.01 177.10 3kni h LYS 49 N 0.46 0.00 0.00 2.33 3.64 0.14 -2.03 116.57 121.11 3kni h LYS 49 Ca 0.58 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.95 3kni h LYS 49 Cb 1.09 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.89 3kni h LYS 49 CO -0.51 0.00 -0.44 1.33 -2.27 0.00 0.00 179.45 177.56 3kni n VAL 50 N -3.03 2.07 -0.28 2.00 0.24 -0.41 -4.80 118.33 114.12 3kni n VAL 50 Ca -0.01 -3.00 -0.00 0.00 -2.04 0.00 0.00 64.34 59.28 3kni n VAL 50 Cb 0.17 -0.19 0.06 0.00 -1.47 0.00 0.00 33.84 32.41 3kni n VAL 50 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3kni h ALA 51 N 0.84 0.29 0.00 2.33 0.00 -0.90 0.40 119.26 122.21 3kni h ALA 51 Ca -0.01 0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3kni h ALA 51 Cb 1.03 0.76 0.00 0.00 0.00 0.00 0.00 17.79 19.58 3kni h ALA 51 CO 0.00 -0.53 0.00 -2.39 0.00 0.00 0.00 179.25 176.33 3kni n HIS 52 N -5.49 0.00 -0.89 0.00 1.44 -1.26 -1.98 115.22 107.04 3kni n HIS 52 Ca 0.09 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 55.88 3kni n HIS 52 Cb 0.40 -0.23 0.11 0.00 0.12 0.00 0.00 29.99 30.39 3kni n HIS 52 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3kni n LEU 53 N -1.23 2.26 -3.67 2.39 4.77 0.14 -4.74 117.00 116.92 3kni n LEU 53 Ca 0.04 -2.87 -0.12 0.00 -0.03 0.00 0.00 56.01 53.04 3kni n LEU 53 Cb 0.05 -0.35 -0.08 0.00 -2.33 0.00 0.00 43.42 40.71 3kni n LEU 53 CO 0.05 0.67 0.26 -0.69 -1.33 0.00 0.00 177.39 176.35 3kni s VAL 54 N -2.51 -0.00 -0.18 4.08 1.01 -0.84 -1.17 120.40 120.80 3kni s VAL 54 Ca 0.26 0.01 -0.20 0.00 0.00 0.00 0.00 61.98 62.05 3kni s VAL 54 Cb 0.23 -0.83 -0.03 0.00 0.00 0.00 0.00 36.38 35.75 3kni s VAL 54 CO 0.02 0.01 0.61 -0.13 0.00 0.00 0.00 175.10 175.61 3kni s ARG 55 N 0.79 4.24 -0.03 2.72 0.52 -0.83 -4.85 118.95 121.51 3kni s ARG 55 Ca -0.04 0.60 0.00 0.00 -0.52 0.00 0.00 55.73 55.77 3kni s ARG 55 Cb -0.05 -3.55 -0.03 0.00 0.52 0.00 0.00 34.95 31.84 3kni s ARG 55 CO -0.06 -0.16 0.00 0.08 0.02 0.00 0.00 175.30 175.19 3kni s VAL 56 N 1.63 4.23 0.09 3.52 1.01 -1.26 -2.28 120.40 127.35 3kni s VAL 56 Ca 0.29 -0.48 -0.03 0.00 0.00 0.00 0.00 61.98 61.76 3kni s VAL 56 Cb -0.16 -2.85 -0.03 0.00 0.00 0.00 0.00 36.38 33.34 3kni s VAL 56 CO 0.11 0.45 0.06 -0.70 0.00 0.00 0.00 175.10 175.02 3kni s GLU 57 N -1.34 0.81 -0.02 2.72 2.12 -0.37 -5.04 118.70 117.58 3kni s GLU 57 Ca 0.18 -1.25 0.02 0.00 0.36 0.00 0.00 54.97 54.28 3kni s GLU 57 Cb -0.11 0.26 -0.03 0.00 0.26 0.00 0.00 34.13 34.50 3kni s GLU 57 CO 0.08 -0.22 -0.06 0.08 -0.54 0.00 0.00 175.26 174.60 3kni s VAL 58 N -3.96 3.73 0.39 3.70 1.01 -1.26 -1.45 120.40 122.56 3kni s VAL 58 Ca 0.13 -0.65 0.05 0.00 0.00 0.00 0.00 61.98 61.51 3kni s VAL 58 Cb 0.07 -2.59 -0.02 0.00 0.00 0.00 0.00 36.38 33.84 3kni s VAL 58 CO -0.05 0.47 0.18 -0.69 0.00 0.00 0.00 175.10 175.00 3kni s VAL 59 N -0.94 0.38 0.00 2.92 1.01 0.09 -4.91 120.40 118.95 3kni s VAL 59 Ca 0.16 -2.00 0.00 0.00 0.00 0.00 0.00 61.98 60.14 3kni s VAL 59 Cb -0.11 -2.36 0.00 0.00 0.00 0.00 0.00 36.38 33.91 3kni s VAL 59 CO 0.06 0.00 0.00 -0.62 0.00 0.00 0.00 175.10 174.54