#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i8f s ARG 3 N 0.00 3.54 -0.24 0.54 3.52 -0.91 -3.75 118.95 121.66 3i8f s ARG 3 Ca 0.00 -0.05 -0.09 0.00 -0.13 0.00 0.00 55.73 55.46 3i8f s ARG 3 Cb 0.00 -3.17 -0.04 0.00 -1.56 0.00 0.00 34.95 30.18 3i8f s ARG 3 CO 0.00 0.74 0.12 -1.17 -0.81 0.00 0.00 175.30 174.18 3i8f s LEU 4 N -1.23 3.86 -0.54 -0.88 0.20 0.37 -1.84 118.68 118.62 3i8f s LEU 4 Ca 0.19 0.00 -0.17 0.00 0.69 0.00 0.00 54.13 54.84 3i8f s LEU 4 Cb -0.13 -2.03 0.10 0.00 -0.43 0.00 0.00 46.19 43.70 3i8f s LEU 4 CO 0.09 0.05 0.56 -0.75 -0.29 0.00 0.00 176.35 176.00 3i8f s LYS 5 N 1.16 3.02 -0.23 1.98 2.20 0.52 0.25 119.74 128.64 3i8f s LYS 5 Ca 0.06 -1.42 -0.10 0.00 -0.36 0.00 0.00 55.97 54.15 3i8f s LYS 5 Cb -0.14 -4.23 -0.05 0.00 -1.51 0.00 0.00 37.83 31.90 3i8f s LYS 5 CO 0.05 -1.32 0.15 0.08 -0.36 0.00 0.00 175.35 173.94 3i8f s VAL 6 N 2.07 5.32 -0.24 4.02 1.01 0.18 -1.72 120.40 131.05 3i8f s VAL 6 Ca 0.07 0.16 0.02 0.00 0.00 0.00 0.00 61.98 62.24 3i8f s VAL 6 Cb -0.26 -3.47 0.05 0.00 0.00 0.00 0.00 36.38 32.70 3i8f s VAL 6 CO 0.06 0.36 -0.13 -0.75 0.00 0.00 0.00 175.10 174.64 3i8f s LYS 7 N 0.96 2.49 -0.06 2.72 2.20 -1.04 0.18 119.74 127.20 3i8f s LYS 7 Ca 0.07 -1.18 -0.30 0.00 -0.36 0.00 0.00 55.97 54.21 3i8f s LYS 7 Cb -0.13 -2.81 -0.05 0.00 -1.51 0.00 0.00 37.83 33.33 3i8f s LYS 7 CO 0.04 -0.46 1.51 -1.17 -0.36 0.00 0.00 175.35 174.91 3i8f s LEU 8 N 1.17 4.29 -0.05 5.43 1.98 -0.52 -1.95 118.68 129.03 3i8f s LEU 8 Ca -0.04 2.10 0.05 0.00 -2.89 0.00 0.00 54.13 53.35 3i8f s LEU 8 Cb -0.18 -3.54 -0.07 0.00 0.66 0.00 0.00 46.19 43.06 3i8f s LEU 8 CO -0.07 -0.84 0.02 1.33 -1.89 0.00 0.00 176.35 174.90 3i8f n VAL 9 N 5.22 0.36 -3.67 1.68 0.24 -0.53 0.36 118.33 121.99 3i8f n VAL 9 Ca 0.15 -0.22 -0.21 0.00 -2.04 0.00 0.00 64.34 62.02 3i8f n VAL 9 Cb 0.43 -0.82 -0.03 0.00 -1.47 0.00 0.00 33.84 31.95 3i8f n VAL 9 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3i8f s LYS 10 N -2.14 2.57 -0.09 7.34 2.20 -0.71 -4.69 119.74 124.22 3i8f s LYS 10 Ca -0.03 -1.48 -0.22 0.00 -0.36 0.00 0.00 55.97 53.89 3i8f s LYS 10 Cb 0.02 -2.39 -0.04 0.00 -1.51 0.00 0.00 37.83 33.91 3i8f s LYS 10 CO 0.22 -0.10 0.64 -1.12 -0.36 0.00 0.00 175.35 174.63 3i8f s SER 11 N -4.07 6.89 0.46 1.43 0.01 -1.26 -4.91 113.70 112.25 3i8f s SER 11 Ca 0.45 1.07 0.23 0.00 1.31 0.00 0.00 55.95 59.01 3i8f s SER 11 Cb -0.04 -2.37 1.13 0.00 0.21 0.00 0.00 66.02 64.95 3i8f s SER 11 CO 0.27 -0.09 1.94 1.55 0.41 0.00 0.00 173.24 177.32 3i8f h PRO 12 N 6.79 0.00 -5.37 12.44 0.13 -1.96 -3.43 132.00 140.60 3i8f h PRO 12 Ca -0.40 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.15 3i8f h PRO 12 Cb 1.19 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.25 3i8f h PRO 12 CO 0.76 0.21 1.62 -0.89 -0.23 0.00 0.00 178.00 179.46 3i8f n ILE 13 N -3.65 0.01 0.00 -3.56 2.08 -1.26 0.72 119.36 113.69 3i8f n ILE 13 Ca -0.01 -0.09 0.00 0.00 0.56 0.00 0.00 62.75 63.21 3i8f n ILE 13 Cb 0.33 -0.79 0.00 0.00 -0.75 0.00 0.00 39.64 38.43 3i8f n ILE 13 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3i8f n GLY 14 N 6.70 1.01 3.78 7.39 0.00 -1.26 -5.11 105.19 117.71 3i8f n GLY 14 Ca 0.59 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.33 3i8f n GLY 14 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3i8f s TYR 15 N -2.00 3.15 0.41 1.61 1.51 0.22 -5.09 117.35 117.16 3i8f s TYR 15 Ca 0.00 0.02 -0.23 0.00 -1.01 0.00 0.00 57.07 55.85 3i8f s TYR 15 Cb 0.00 -1.55 -0.13 0.00 -0.11 0.00 0.00 41.96 40.17 3i8f s TYR 15 CO 0.00 0.52 0.55 -2.30 -1.11 0.00 0.00 175.55 173.21 3i8f n PRO 16 N 0.05 0.57 -0.24 -1.71 -0.02 -1.26 -4.76 135.00 127.63 3i8f n PRO 16 Ca -0.09 0.21 0.05 0.00 -2.02 0.00 0.00 63.50 61.65 3i8f n PRO 16 Cb 0.53 -1.49 0.16 0.00 -0.02 0.00 0.00 33.50 32.68 3i8f n PRO 16 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 3i8f h LYS 17 N 0.84 0.16 -0.07 -0.52 1.79 -1.98 -2.29 116.57 114.49 3i8f h LYS 17 Ca -0.40 -0.01 0.03 0.00 -2.18 0.00 0.00 60.65 58.09 3i8f h LYS 17 Cb 1.40 -0.03 -0.06 0.00 -1.58 0.00 0.00 32.23 31.95 3i8f h LYS 17 CO 0.52 0.10 -0.50 0.38 -1.08 0.00 0.00 179.45 178.87 3i8f h ASP 18 N 0.16 -1.56 -0.65 0.86 2.03 -1.98 0.13 116.42 115.41 3i8f h ASP 18 Ca 0.40 0.19 0.13 0.00 -0.73 0.00 0.00 57.03 57.02 3i8f h ASP 18 Cb 0.69 0.61 -0.10 0.00 -0.83 0.00 0.00 39.33 39.70 3i8f h ASP 18 CO -0.59 -0.49 0.11 1.56 -1.03 0.00 0.00 179.24 178.81 3i8f h GLN 19 N -0.60 0.22 -0.86 4.15 4.20 -1.77 0.56 115.11 121.01 3i8f h GLN 19 Ca 0.04 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 3i8f h GLN 19 Cb 0.69 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.37 3i8f h GLN 19 CO -0.39 0.14 0.54 0.87 -0.67 0.00 0.00 178.83 179.32 3i8f h LYS 20 N 0.22 1.16 -0.86 1.46 1.57 -1.13 0.05 116.57 119.05 3i8f h LYS 20 Ca 0.35 -0.09 0.02 0.00 -1.87 0.00 0.00 60.65 59.06 3i8f h LYS 20 Cb 0.57 -0.25 -0.05 0.00 0.08 0.00 0.00 32.23 32.58 3i8f h LYS 20 CO -0.47 0.80 0.57 0.00 -0.57 0.00 0.00 179.45 179.77 3i8f h ALA 21 N 1.29 1.43 0.53 3.86 0.00 0.26 0.12 119.26 126.74 3i8f h ALA 21 Ca 0.31 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 3i8f h ALA 21 Cb -0.08 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.38 3i8f h ALA 21 CO -0.06 0.51 -0.35 0.00 0.00 0.00 0.00 179.25 179.35 3i8f h ALA 22 N 1.48 -1.14 -1.04 0.00 0.00 0.17 0.40 119.26 119.13 3i8f h ALA 22 Ca 0.33 -0.17 0.28 0.00 0.00 0.00 0.00 54.91 55.35 3i8f h ALA 22 Cb -0.06 0.49 -0.12 0.00 0.00 0.00 0.00 17.79 18.10 3i8f h ALA 22 CO -0.08 -1.12 0.63 -0.07 0.00 0.00 0.00 179.25 178.61 3i8f h LEU 23 N -0.83 0.54 0.86 0.00 3.38 -0.71 -0.55 115.31 117.99 3i8f h LEU 23 Ca -0.07 0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 3i8f h LEU 23 Cb 0.67 0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.49 3i8f h LEU 23 CO 0.05 0.03 -0.41 0.11 0.09 0.00 0.00 178.44 178.31 3i8f h LYS 24 N 0.44 -1.11 -0.73 1.13 6.56 0.17 -1.74 116.57 121.29 3i8f h LYS 24 Ca 0.66 0.08 0.07 0.00 -1.06 0.00 0.00 60.65 60.40 3i8f h LYS 24 Cb 1.50 0.25 -0.09 0.00 -0.57 0.00 0.00 32.23 33.32 3i8f h LYS 24 CO -0.44 -0.74 -0.41 0.00 -2.06 0.00 0.00 179.45 175.80 3i8f n ALA 25 N -2.62 -0.42 -1.00 3.86 0.00 0.13 -1.77 120.51 118.70 3i8f n ALA 25 Ca -0.14 0.63 0.00 0.00 0.00 0.00 0.00 53.44 53.93 3i8f n ALA 25 Cb 0.45 -0.13 0.00 0.00 0.00 0.00 0.00 19.45 19.77 3i8f n ALA 25 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3i8f n LEU 26 N -4.93 0.00 0.00 0.00 4.77 -1.02 -4.92 117.00 110.90 3i8f n LEU 26 Ca 0.02 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 3i8f n LEU 26 Cb 0.20 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 3i8f n LEU 26 CO -0.11 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.56 3i8f n GLY 27 N -0.41 0.00 3.43 -0.72 0.00 -0.73 -5.11 105.19 101.65 3i8f n GLY 27 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 3i8f n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i8f s LEU 28 N 0.00 4.79 -0.20 0.99 1.43 -0.69 -4.84 118.68 120.16 3i8f s LEU 28 Ca 0.00 -1.08 0.04 0.00 -1.03 0.00 0.00 54.13 52.06 3i8f s LEU 28 Cb 0.00 -2.42 -0.15 0.00 0.03 0.00 0.00 46.19 43.65 3i8f s LEU 28 CO 0.00 -1.24 -0.14 0.54 0.23 0.00 0.00 176.35 175.74 3i8f n ARG 29 N 7.00 0.67 -4.04 1.70 1.74 -1.26 -4.40 116.66 118.07 3i8f n ARG 29 Ca -0.06 0.10 -0.29 0.00 -0.77 0.00 0.00 57.85 56.84 3i8f n ARG 29 Cb 0.44 -1.43 -0.05 0.00 -1.02 0.00 0.00 32.46 30.40 3i8f n ARG 29 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3i8f s ARG 30 N -2.42 3.00 0.52 5.56 0.52 -1.26 -5.09 118.95 119.78 3i8f s ARG 30 Ca -0.25 -0.72 -0.17 0.00 -0.52 0.00 0.00 55.73 54.07 3i8f s ARG 30 Cb 0.07 -2.76 -0.07 0.00 0.52 0.00 0.00 34.95 32.71 3i8f s ARG 30 CO 0.53 0.54 1.01 -1.17 0.02 0.00 0.00 175.30 176.22 3i8f s LEU 31 N -2.74 3.65 0.00 2.53 2.96 -1.26 -2.93 118.68 120.88 3i8f s LEU 31 Ca 0.31 1.69 0.00 0.00 -0.22 0.00 0.00 54.13 55.91 3i8f s LEU 31 Cb -0.11 -4.52 0.00 0.00 0.50 0.00 0.00 46.19 42.05 3i8f s LEU 31 CO 0.24 -0.75 0.00 1.67 -1.32 0.00 0.00 176.35 176.19 3i8f n GLN 32 N -1.54 0.00 -1.75 1.98 -0.06 0.16 -4.95 117.38 111.22 3i8f n GLN 32 Ca 0.07 0.00 -0.38 0.00 -2.00 0.00 0.00 57.00 54.70 3i8f n GLN 32 Cb 0.54 -1.98 0.06 0.00 -4.06 0.00 0.00 30.24 24.79 3i8f n GLN 32 CO 0.00 0.00 0.00 -1.14 -0.20 0.00 0.00 177.06 175.72 3i8f s GLN 33 N 0.00 2.83 0.04 3.69 0.74 -1.15 -4.71 119.66 121.09 3i8f s GLN 33 Ca 0.00 2.16 0.08 0.00 0.05 0.00 0.00 55.36 57.65 3i8f s GLN 33 Cb 0.00 -2.04 -0.03 0.00 1.10 0.00 0.00 33.01 32.04 3i8f s GLN 33 CO 0.00 -1.41 -0.22 -1.21 -0.55 0.00 0.00 175.29 171.89 3i8f s GLU 34 N -3.15 1.95 -0.16 1.67 2.02 -1.26 -1.45 118.70 118.33 3i8f s GLU 34 Ca 0.77 -1.03 -0.04 0.00 0.02 0.00 0.00 54.97 54.69 3i8f s GLU 34 Cb -0.39 -2.09 0.08 0.00 0.10 0.00 0.00 34.13 31.82 3i8f s GLU 34 CO 0.44 0.53 0.21 0.50 0.02 0.00 0.00 175.26 176.96 3i8f s ARG 35 N -1.29 0.14 -0.18 1.61 6.06 0.49 -4.97 118.95 120.81 3i8f s ARG 35 Ca 0.13 0.39 -0.19 0.00 -2.50 0.00 0.00 55.73 53.56 3i8f s ARG 35 Cb -0.10 -0.77 -0.03 0.00 0.06 0.00 0.00 34.95 34.11 3i8f s ARG 35 CO 0.03 -0.50 0.52 0.14 -2.50 0.00 0.00 175.30 172.99 3i8f s VAL 36 N 2.33 5.12 0.09 7.11 -7.23 -1.25 0.51 120.40 127.08 3i8f s VAL 36 Ca 0.05 0.98 0.01 0.00 -1.81 0.00 0.00 61.98 61.21 3i8f s VAL 36 Cb -0.14 -3.84 -0.04 0.00 0.56 0.00 0.00 36.38 32.91 3i8f s VAL 36 CO -0.10 0.21 -0.06 -0.76 -0.31 0.00 0.00 175.10 174.08 3i8f s LEU 37 N 1.38 2.49 0.65 1.32 1.43 0.70 -4.89 118.68 121.75 3i8f s LEU 37 Ca 0.25 -0.96 -0.17 0.00 -1.03 0.00 0.00 54.13 52.21 3i8f s LEU 37 Cb -0.15 -0.03 -0.01 0.00 0.03 0.00 0.00 46.19 46.02 3i8f s LEU 37 CO 0.10 -0.47 1.22 -0.70 0.23 0.00 0.00 176.35 176.74 3i8f s GLU 38 N -3.65 2.64 -0.18 1.70 2.56 -1.26 0.14 118.70 120.65 3i8f s GLU 38 Ca 0.09 1.84 0.05 0.00 0.00 0.00 0.00 54.97 56.95 3i8f s GLU 38 Cb 0.04 -1.89 0.41 0.00 2.00 0.00 0.00 34.13 34.70 3i8f s GLU 38 CO -0.05 -1.47 1.32 -3.47 -0.56 0.00 0.00 175.26 171.03 3i8f n ASP 39 N -2.02 3.50 -4.57 -1.70 2.03 -1.25 -4.68 116.55 107.86 3i8f n ASP 39 Ca 0.14 -2.67 -0.34 0.00 0.52 0.00 0.00 54.79 52.44 3i8f n ASP 39 Cb 0.50 -0.64 0.12 0.00 -0.72 0.00 0.00 41.12 40.37 3i8f n ASP 39 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 3i8f n THR 40 N 0.01 1.30 -0.32 5.18 -2.24 -1.26 -4.70 114.28 112.25 3i8f n THR 40 Ca 0.23 -0.22 0.15 0.00 -2.27 0.00 0.00 64.05 61.93 3i8f n THR 40 Cb 0.93 -0.94 0.34 0.00 -2.10 0.00 0.00 70.33 68.56 3i8f n THR 40 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 3i8f h PRO 41 N -1.04 0.48 0.00 -0.78 0.11 -1.99 -2.54 132.00 126.23 3i8f h PRO 41 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3i8f h PRO 41 Cb 1.30 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3i8f h PRO 41 CO 0.42 0.32 0.00 0.00 -0.21 0.00 0.00 178.00 178.53 3i8f n ALA 42 N -2.41 -0.17 -0.26 -0.75 0.00 -1.26 -1.00 120.51 114.66 3i8f n ALA 42 Ca 0.24 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.62 3i8f n ALA 42 Cb 0.68 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.09 3i8f n ALA 42 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3i8f n ILE 43 N -1.09 -0.40 -0.13 0.00 2.08 -1.20 0.15 119.36 118.77 3i8f n ILE 43 Ca 0.00 1.51 -0.04 0.00 0.56 0.00 0.00 62.75 64.77 3i8f n ILE 43 Cb 0.00 -1.89 0.02 0.00 -0.75 0.00 0.00 39.64 37.02 3i8f n ILE 43 CO 0.00 0.00 0.00 -0.09 0.56 0.00 0.00 176.55 177.02 3i8f h ARG 44 N 0.00 -0.01 -1.00 0.38 2.43 -1.51 0.34 114.38 115.01 3i8f h ARG 44 Ca 0.13 0.00 0.21 0.00 -0.81 0.00 0.00 59.98 59.51 3i8f h ARG 44 Cb 0.28 0.00 -0.11 0.00 -0.42 0.00 0.00 29.97 29.73 3i8f h ARG 44 CO -0.60 -0.01 0.61 0.78 -1.51 0.00 0.00 179.97 179.25 3i8f h GLY 45 N -0.01 1.73 0.52 2.80 0.00 0.32 0.86 103.07 109.29 3i8f h GLY 45 Ca 0.21 -0.33 -0.04 0.00 0.00 0.00 0.00 47.33 47.16 3i8f h GLY 45 CO -0.44 -0.11 -0.15 3.43 0.00 0.00 0.00 176.54 179.26 3i8f h ASN 46 N 0.67 0.19 -0.96 0.19 -0.26 -0.03 -2.28 115.58 113.11 3i8f h ASN 46 Ca 0.59 -0.64 0.12 0.00 -0.56 0.00 0.00 56.30 55.81 3i8f h ASN 46 Cb 1.05 -0.06 -0.08 0.00 -1.06 0.00 0.00 38.32 38.17 3i8f h ASN 46 CO -0.39 0.80 0.61 0.58 -1.06 0.00 0.00 177.43 177.97 3i8f h VAL 47 N -0.40 0.92 0.00 2.81 2.07 0.18 0.49 116.25 122.32 3i8f h VAL 47 Ca -0.01 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.20 3i8f h VAL 47 Cb 0.79 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 3i8f h VAL 47 CO 0.03 0.17 0.00 -0.33 0.02 0.00 0.00 177.57 177.46 3i8f h GLU 48 N 0.92 0.00 -0.15 1.57 5.08 0.65 -1.83 114.58 120.82 3i8f h GLU 48 Ca 0.47 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.72 3i8f h GLU 48 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 3i8f h GLU 48 CO -0.23 0.00 -0.31 -0.22 -1.00 0.00 0.00 179.01 177.25 3i8f h LYS 49 N 0.00 0.47 -0.64 2.33 3.64 0.57 -3.01 116.57 119.93 3i8f h LYS 49 Ca 0.00 -0.31 -0.10 0.00 -1.27 0.00 0.00 60.65 58.97 3i8f h LYS 49 Cb 0.67 0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.47 3i8f h LYS 49 CO 0.00 0.92 0.12 1.33 -2.27 0.00 0.00 179.45 179.55 3i8f n VAL 50 N -4.38 2.84 0.09 2.00 0.24 -0.87 -4.58 118.33 113.68 3i8f n VAL 50 Ca -0.07 -1.55 0.04 0.00 -2.04 0.00 0.00 64.34 60.72 3i8f n VAL 50 Cb 0.48 -0.32 0.23 0.00 -1.47 0.00 0.00 33.84 32.76 3i8f n VAL 50 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i8f n ALA 51 N 0.20 0.69 1.04 2.33 0.00 -0.70 0.73 120.51 124.81 3i8f n ALA 51 Ca 0.34 0.08 0.11 0.00 0.00 0.00 0.00 53.44 53.97 3i8f n ALA 51 Cb 1.28 -0.80 0.06 0.00 0.00 0.00 0.00 19.45 19.99 3i8f n ALA 51 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 3i8f n HIS 52 N -1.76 0.00 0.00 0.00 1.44 -1.26 -4.03 115.22 109.61 3i8f n HIS 52 Ca -0.01 0.00 0.01 0.00 -2.01 0.00 0.00 57.72 55.72 3i8f n HIS 52 Cb 0.22 -0.05 0.03 0.00 0.12 0.00 0.00 29.99 30.31 3i8f n HIS 52 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3i8f n LEU 53 N -0.71 1.93 -4.24 2.39 4.77 0.22 -4.85 117.00 116.52 3i8f n LEU 53 Ca 0.08 -1.72 -0.13 0.00 -0.03 0.00 0.00 56.01 54.21 3i8f n LEU 53 Cb 0.39 -0.04 -0.10 0.00 -2.33 0.00 0.00 43.42 41.34 3i8f n LEU 53 CO 0.33 0.48 -0.29 -0.69 -1.33 0.00 0.00 177.39 175.89 3i8f s VAL 54 N -0.78 0.42 -0.25 4.08 1.01 -0.94 -1.45 120.40 122.49 3i8f s VAL 54 Ca 0.05 -1.97 -0.00 0.00 0.00 0.00 0.00 61.98 60.05 3i8f s VAL 54 Cb 0.03 -2.30 0.07 0.00 0.00 0.00 0.00 36.38 34.18 3i8f s VAL 54 CO 0.04 -0.28 0.02 -0.13 0.00 0.00 0.00 175.10 174.75 3i8f s ARG 55 N -4.01 1.10 0.05 2.72 0.52 -0.82 -4.85 118.95 113.65 3i8f s ARG 55 Ca 0.30 -0.92 -0.06 0.00 -0.52 0.00 0.00 55.73 54.54 3i8f s ARG 55 Cb 0.07 -2.34 -0.05 0.00 0.52 0.00 0.00 34.95 33.15 3i8f s ARG 55 CO 0.07 -0.74 0.29 0.08 0.02 0.00 0.00 175.30 175.03 3i8f s VAL 56 N 1.55 5.27 0.02 3.52 1.01 -1.26 -2.50 120.40 128.01 3i8f s VAL 56 Ca 0.01 0.09 -0.08 0.00 0.00 0.00 0.00 61.98 62.00 3i8f s VAL 56 Cb -0.18 -3.59 -0.00 0.00 0.00 0.00 0.00 36.38 32.61 3i8f s VAL 56 CO -0.12 0.27 0.15 -0.70 0.00 0.00 0.00 175.10 174.70 3i8f s GLU 57 N -2.04 0.58 -0.01 2.72 2.12 -0.70 -5.03 118.70 116.34 3i8f s GLU 57 Ca 0.31 -0.56 0.02 0.00 0.36 0.00 0.00 54.97 55.10 3i8f s GLU 57 Cb -0.13 0.24 -0.03 0.00 0.26 0.00 0.00 34.13 34.46 3i8f s GLU 57 CO 0.19 -0.15 -0.02 0.08 -0.54 0.00 0.00 175.26 174.82 3i8f s VAL 58 N -2.08 4.04 0.00 3.70 1.01 -1.26 -0.36 120.40 125.45 3i8f s VAL 58 Ca -0.09 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.28 3i8f s VAL 58 Cb -0.04 -2.78 0.00 0.00 0.00 0.00 0.00 36.38 33.56 3i8f s VAL 58 CO -0.02 0.41 0.00 0.52 0.00 0.00 0.00 175.10 176.01 3i8f n VAL 59 N 1.52 0.00 0.92 2.92 0.31 -0.77 -4.92 118.33 118.30 3i8f n VAL 59 Ca -0.15 0.00 0.11 0.00 -0.01 0.00 0.00 64.34 64.29 3i8f n VAL 59 Cb 0.53 0.00 0.09 0.00 -0.91 0.00 0.00 33.84 33.55 3i8f n VAL 59 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67