#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3f1h s PRO 2 N 0.00 4.30 0.45 0.03 0.04 -1.26 -4.76 135.00 133.80 3f1h s PRO 2 Ca 0.00 2.12 -0.23 0.00 0.04 0.00 0.00 61.00 62.93 3f1h s PRO 2 Cb 0.00 -3.00 -0.08 0.00 0.04 0.00 0.00 34.50 31.46 3f1h s PRO 2 CO 0.00 -0.20 1.11 1.03 0.04 0.00 0.00 177.00 178.98 3f1h s ARG 3 N -1.87 3.87 -0.18 4.56 0.52 0.23 -2.96 118.95 123.11 3f1h s ARG 3 Ca 0.50 1.62 -0.08 0.00 -0.52 0.00 0.00 55.73 57.25 3f1h s ARG 3 Cb -0.38 -2.38 -0.04 0.00 0.52 0.00 0.00 34.95 32.67 3f1h s ARG 3 CO 0.49 -0.42 0.08 -0.51 0.02 0.00 0.00 175.30 174.96 3f1h s LEU 4 N -3.02 3.92 -0.06 2.53 1.43 0.24 -1.05 118.68 122.67 3f1h s LEU 4 Ca 0.63 0.13 -0.17 0.00 -1.03 0.00 0.00 54.13 53.68 3f1h s LEU 4 Cb -0.24 -2.00 -0.05 0.00 0.03 0.00 0.00 46.19 43.93 3f1h s LEU 4 CO 0.30 0.18 0.45 -0.75 0.23 0.00 0.00 176.35 176.76 3f1h s LYS 5 N 0.33 4.18 -0.14 1.70 2.20 -1.06 -0.33 119.74 126.62 3f1h s LYS 5 Ca 0.04 0.45 -0.04 0.00 -0.36 0.00 0.00 55.97 56.06 3f1h s LYS 5 Cb -0.12 -3.34 0.06 0.00 -1.51 0.00 0.00 37.83 32.92 3f1h s LYS 5 CO -0.00 0.39 0.11 0.14 -0.36 0.00 0.00 175.35 175.63 3f1h s VAL 6 N -0.15 -0.14 -0.14 4.02 -7.23 -0.28 0.17 120.40 116.66 3f1h s VAL 6 Ca 0.25 -0.00 -0.06 0.00 -1.81 0.00 0.00 61.98 60.36 3f1h s VAL 6 Cb -0.16 -0.48 -0.04 0.00 0.56 0.00 0.00 36.38 36.26 3f1h s VAL 6 CO 0.12 -0.15 0.07 -0.75 -0.31 0.00 0.00 175.10 174.07 3f1h s LYS 7 N 2.18 3.53 0.19 4.82 2.20 -0.85 -2.95 119.74 128.87 3f1h s LYS 7 Ca 0.03 -0.30 -0.26 0.00 -0.36 0.00 0.00 55.97 55.08 3f1h s LYS 7 Cb -0.15 -3.08 -0.08 0.00 -1.51 0.00 0.00 37.83 33.01 3f1h s LYS 7 CO -0.08 0.54 0.81 -1.17 -0.36 0.00 0.00 175.35 175.09 3f1h s LEU 8 N -0.39 4.58 0.00 5.43 0.20 -1.11 -1.70 118.68 125.69 3f1h s LEU 8 Ca 0.09 1.69 0.00 0.00 0.69 0.00 0.00 54.13 56.61 3f1h s LEU 8 Cb -0.12 -3.40 0.00 0.00 -0.43 0.00 0.00 46.19 42.24 3f1h s LEU 8 CO 0.02 0.18 0.00 1.33 -0.29 0.00 0.00 176.35 177.59 3f1h n VAL 9 N 1.48 0.00 -4.03 1.68 0.24 0.18 -0.46 118.33 117.41 3f1h n VAL 9 Ca -0.05 0.00 -0.34 0.00 -2.04 0.00 0.00 64.34 61.91 3f1h n VAL 9 Cb 0.49 -0.11 -0.10 0.00 -1.47 0.00 0.00 33.84 32.65 3f1h n VAL 9 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3f1h s LYS 10 N -1.19 3.93 0.17 7.34 2.20 -1.14 -4.86 119.74 126.20 3f1h s LYS 10 Ca 0.00 -0.35 -0.32 0.00 -0.36 0.00 0.00 55.97 54.94 3f1h s LYS 10 Cb 0.00 -3.19 -0.12 0.00 -1.51 0.00 0.00 37.83 33.01 3f1h s LYS 10 CO 0.00 0.29 1.73 0.45 -0.36 0.00 0.00 175.35 177.46 3f1h n SER 11 N 3.46 3.83 0.00 1.43 2.88 -1.26 -4.76 113.62 119.20 3f1h n SER 11 Ca -0.17 1.04 0.08 0.00 -1.33 0.00 0.00 58.87 58.50 3f1h n SER 11 Cb 0.52 -1.53 0.42 0.00 -0.75 0.00 0.00 64.21 62.86 3f1h n SER 11 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3f1h n PRO 12 N 4.34 0.19 -1.63 -1.46 -0.04 -1.26 -4.84 135.00 130.31 3f1h n PRO 12 Ca 0.17 0.14 -0.45 0.00 -0.04 0.00 0.00 63.50 63.32 3f1h n PRO 12 Cb 0.34 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 32.28 3f1h n PRO 12 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 3f1h n ILE 13 N -1.33 1.57 0.00 0.52 2.08 -1.26 -1.63 119.36 119.31 3f1h n ILE 13 Ca 0.07 -0.39 0.00 0.00 0.56 0.00 0.00 62.75 62.99 3f1h n ILE 13 Cb 0.15 -1.18 0.00 0.00 -0.75 0.00 0.00 39.64 37.86 3f1h n ILE 13 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3f1h n GLY 14 N 1.48 2.81 3.74 7.39 0.00 -1.26 -4.98 105.19 114.36 3f1h n GLY 14 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 3f1h n GLY 14 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3f1h s TYR 15 N -1.21 3.70 0.27 1.61 1.51 -0.64 -4.97 117.35 117.61 3f1h s TYR 15 Ca 0.00 1.69 -0.20 0.00 -1.01 0.00 0.00 57.07 57.55 3f1h s TYR 15 Cb 0.00 -3.18 -0.14 0.00 -0.11 0.00 0.00 41.96 38.54 3f1h s TYR 15 CO 0.00 -0.25 0.22 -2.30 -1.11 0.00 0.00 175.55 172.11 3f1h n PRO 16 N 2.46 0.00 -0.26 -1.71 -0.02 -1.26 -4.60 135.00 129.61 3f1h n PRO 16 Ca 0.02 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.57 3f1h n PRO 16 Cb 0.47 -0.83 0.21 0.00 -0.02 0.00 0.00 33.50 33.32 3f1h n PRO 16 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3f1h h LYS 17 N 0.51 0.31 -0.48 -0.52 3.11 -1.97 -2.46 116.57 115.07 3f1h h LYS 17 Ca -0.28 -0.02 0.09 0.00 -2.81 0.00 0.00 60.65 57.63 3f1h h LYS 17 Cb 1.21 -0.07 -0.10 0.00 -1.00 0.00 0.00 32.23 32.27 3f1h h LYS 17 CO 0.43 0.20 -0.34 0.38 -2.81 0.00 0.00 179.45 177.30 3f1h h ASP 18 N 0.32 -1.16 -0.37 4.20 2.03 -2.00 0.20 116.42 119.63 3f1h h ASP 18 Ca 0.44 0.21 -0.00 0.00 -0.73 0.00 0.00 57.03 56.95 3f1h h ASP 18 Cb 0.77 0.55 -0.02 0.00 -0.83 0.00 0.00 39.33 39.80 3f1h h ASP 18 CO -0.50 -0.32 0.22 1.56 -1.03 0.00 0.00 179.24 179.17 3f1h h GLN 19 N -0.22 0.52 -0.78 4.15 4.20 -1.76 -0.17 115.11 121.04 3f1h h GLN 19 Ca 0.19 -0.04 0.12 0.00 0.06 0.00 0.00 58.65 58.98 3f1h h GLN 19 Cb 0.55 -0.11 -0.08 0.00 0.30 0.00 0.00 27.48 28.13 3f1h h GLN 19 CO -0.60 0.38 0.39 0.87 -0.67 0.00 0.00 178.83 179.20 3f1h h LYS 20 N 0.53 0.59 0.00 1.46 1.79 -0.50 -1.47 116.57 118.97 3f1h h LYS 20 Ca 0.14 -0.04 -0.12 0.00 -2.18 0.00 0.00 60.65 58.46 3f1h h LYS 20 Cb 0.00 -0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 30.50 3f1h h LYS 20 CO -0.02 0.39 -0.55 0.00 -1.08 0.00 0.00 179.45 178.18 3f1h h ALA 21 N 1.50 0.82 0.26 3.86 0.00 -0.36 -3.05 119.26 122.29 3f1h h ALA 21 Ca 0.41 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3f1h h ALA 21 Cb 0.52 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3f1h h ALA 21 CO -0.32 0.69 -0.12 0.00 0.00 0.00 0.00 179.25 179.50 3f1h h ALA 22 N 1.45 -0.34 -0.20 0.00 0.00 -0.52 -0.81 119.26 118.84 3f1h h ALA 22 Ca -0.01 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 54.79 3f1h h ALA 22 Cb 1.18 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 3f1h h ALA 22 CO 0.07 -0.55 0.30 -0.07 0.00 0.00 0.00 179.25 179.01 3f1h h LEU 23 N -0.63 0.00 -0.02 0.00 3.38 -1.41 0.38 115.31 117.01 3f1h h LEU 23 Ca -0.04 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.74 3f1h h LEU 23 Cb 0.45 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.21 3f1h h LEU 23 CO 0.06 0.00 -0.74 0.50 0.09 0.00 0.00 178.44 178.35 3f1h h LYS 24 N 0.00 0.54 -0.17 1.13 3.64 -1.30 0.24 116.57 120.64 3f1h h LYS 24 Ca 0.09 -0.55 -0.15 0.00 -1.27 0.00 0.00 60.65 58.78 3f1h h LYS 24 Cb 0.70 0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.66 3f1h h LYS 24 CO -0.00 1.18 -0.50 0.00 -2.27 0.00 0.00 179.45 177.85 3f1h h ALA 25 N 0.37 0.80 0.00 5.00 0.00 0.10 -1.28 119.26 124.26 3f1h h ALA 25 Ca -0.09 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.34 3f1h h ALA 25 Cb 1.42 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3f1h h ALA 25 CO 0.15 0.67 0.00 1.28 0.00 0.00 0.00 179.25 181.35 3f1h n LEU 26 N -3.97 0.00 -1.64 0.00 4.77 0.67 -4.86 117.00 111.97 3f1h n LEU 26 Ca -0.02 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.76 3f1h n LEU 26 Cb 0.57 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.60 3f1h n LEU 26 CO 0.45 0.00 -0.20 0.61 -1.33 0.00 0.00 177.39 176.93 3f1h n GLY 27 N 0.31 1.28 3.49 -0.72 0.00 -0.48 -4.91 105.19 104.16 3f1h n GLY 27 Ca 0.02 -0.10 -0.44 0.00 0.00 0.00 0.00 46.02 45.51 3f1h n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3f1h s LEU 28 N -4.63 4.75 0.00 0.99 1.43 0.84 -4.92 118.68 117.13 3f1h s LEU 28 Ca 0.00 -2.74 0.00 0.00 -1.03 0.00 0.00 54.13 50.36 3f1h s LEU 28 Cb 0.00 -2.44 0.00 0.00 0.03 0.00 0.00 46.19 43.78 3f1h s LEU 28 CO 0.00 -0.89 0.06 0.54 0.23 0.00 0.00 176.35 176.29 3f1h n ARG 29 N 6.41 0.00 -3.73 1.70 5.12 -1.26 -4.67 116.66 120.23 3f1h n ARG 29 Ca 0.38 0.03 -0.25 0.00 -1.93 0.00 0.00 57.85 56.07 3f1h n ARG 29 Cb 0.44 -0.56 0.01 0.00 -1.16 0.00 0.00 32.46 31.19 3f1h n ARG 29 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 3f1h n ARG 30 N -0.09 0.67 -1.62 5.56 1.85 -1.26 -5.04 116.66 116.74 3f1h n ARG 30 Ca 0.00 -3.39 -0.32 0.00 -1.00 0.00 0.00 57.85 53.14 3f1h n ARG 30 Cb 0.00 0.30 0.06 0.00 -1.05 0.00 0.00 32.46 31.77 3f1h n ARG 30 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 3f1h s LEU 31 N 0.00 3.28 -2.11 2.89 2.96 -1.26 -3.35 118.68 121.08 3f1h s LEU 31 Ca 0.34 1.92 0.00 0.00 -0.22 0.00 0.00 54.13 56.17 3f1h s LEU 31 Cb -0.03 -4.54 0.00 0.00 0.50 0.00 0.00 46.19 42.12 3f1h s LEU 31 CO 0.22 -1.71 0.00 0.00 -1.32 0.00 0.00 176.35 173.53 3f1h n GLN 32 N -2.76 -1.48 -3.13 1.98 1.13 0.39 -4.94 117.38 108.57 3f1h n GLN 32 Ca 0.10 1.20 -0.39 0.00 -1.94 0.00 0.00 57.00 55.96 3f1h n GLN 32 Cb 0.52 -5.59 -0.05 0.00 0.11 0.00 0.00 30.24 25.23 3f1h n GLN 32 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 3f1h s GLN 33 N -3.69 4.34 0.83 -1.09 0.74 -1.21 -4.82 119.66 114.77 3f1h s GLN 33 Ca 0.00 0.70 -0.12 0.00 0.05 0.00 0.00 55.36 56.00 3f1h s GLN 33 Cb 0.00 -3.49 0.09 0.00 1.10 0.00 0.00 33.01 30.71 3f1h s GLN 33 CO 0.00 -0.01 1.11 -1.21 -0.55 0.00 0.00 175.29 174.62 3f1h s GLU 34 N 1.13 1.81 -0.30 1.67 0.41 -1.26 -2.75 118.70 119.40 3f1h s GLU 34 Ca 0.32 0.58 -0.15 0.00 -0.41 0.00 0.00 54.97 55.31 3f1h s GLU 34 Cb -0.16 -1.89 0.18 0.00 -1.78 0.00 0.00 34.13 30.48 3f1h s GLU 34 CO 0.14 -1.80 1.14 0.50 -0.49 0.00 0.00 175.26 174.75 3f1h s ARG 35 N -5.16 0.05 -0.22 1.61 6.06 -1.15 -4.92 118.95 115.21 3f1h s ARG 35 Ca 0.62 0.04 -0.11 0.00 -2.50 0.00 0.00 55.73 53.78 3f1h s ARG 35 Cb -0.15 0.02 -0.05 0.00 0.06 0.00 0.00 34.95 34.84 3f1h s ARG 35 CO 0.54 -0.10 0.19 0.08 -2.50 0.00 0.00 175.30 173.51 3f1h s VAL 36 N 2.91 5.35 0.19 7.11 1.01 -1.26 -1.13 120.40 134.59 3f1h s VAL 36 Ca 0.31 0.26 -0.21 0.00 0.00 0.00 0.00 61.98 62.34 3f1h s VAL 36 Cb 0.00 -3.53 0.05 0.00 0.00 0.00 0.00 36.38 32.90 3f1h s VAL 36 CO -0.22 0.36 0.60 -1.48 0.00 0.00 0.00 175.10 174.36 3f1h s LEU 37 N 0.90 -0.31 0.46 3.92 0.05 0.56 -4.93 118.68 119.33 3f1h s LEU 37 Ca 0.09 -0.26 -0.24 0.00 0.05 0.00 0.00 54.13 53.77 3f1h s LEU 37 Cb -0.13 2.49 -0.08 0.00 -2.05 0.00 0.00 46.19 46.42 3f1h s LEU 37 CO 0.03 -1.07 1.31 -0.62 -0.55 0.00 0.00 176.35 175.46 3f1h n GLU 38 N -0.38 1.92 -2.91 1.48 1.02 -1.26 0.81 120.64 121.32 3f1h n GLU 38 Ca -0.12 0.69 -0.44 0.00 -0.02 0.00 0.00 57.16 57.26 3f1h n GLU 38 Cb 0.63 -2.47 -0.01 0.00 -0.02 0.00 0.00 31.44 29.58 3f1h n GLU 38 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3f1h s ASP 39 N -0.62 6.92 0.38 1.62 2.15 -1.15 -4.65 116.67 121.32 3f1h s ASP 39 Ca 0.64 -2.66 0.07 0.00 0.43 0.00 0.00 52.55 51.03 3f1h s ASP 39 Cb -0.47 -2.42 -0.00 0.00 -0.30 0.00 0.00 42.92 39.73 3f1h s ASP 39 CO 0.56 -0.88 0.49 0.42 -0.17 0.00 0.00 175.17 175.59 3f1h s THR 40 N 2.15 3.37 0.19 1.71 -4.23 -1.26 -4.82 115.64 112.75 3f1h s THR 40 Ca 0.41 -1.06 -0.12 0.00 -1.18 0.00 0.00 61.69 59.73 3f1h s THR 40 Cb -0.03 -3.15 0.11 0.00 1.34 0.00 0.00 72.50 70.76 3f1h s THR 40 CO -0.02 -0.07 1.85 -0.65 -0.54 0.00 0.00 174.62 175.19 3f1h h PRO 41 N 0.81 0.78 0.00 3.99 0.11 -2.01 -2.44 132.00 133.25 3f1h h PRO 41 Ca -0.42 -0.05 -0.14 0.00 0.11 0.00 0.00 66.00 65.50 3f1h h PRO 41 Cb 1.27 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 3f1h h PRO 41 CO 0.50 0.52 -0.67 0.00 -0.21 0.00 0.00 178.00 178.14 3f1h h ALA 42 N 1.25 0.81 0.07 -0.75 0.00 -1.98 -2.42 119.26 116.23 3f1h h ALA 42 Ca 0.24 -0.61 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 3f1h h ALA 42 Cb -0.05 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3f1h h ALA 42 CO -0.07 0.84 -0.03 0.82 0.00 0.00 0.00 179.25 180.80 3f1h h ILE 43 N 0.00 1.11 -0.78 0.00 1.08 -1.84 -3.01 117.51 114.07 3f1h h ILE 43 Ca -0.01 -0.64 0.11 0.00 -0.39 0.00 0.00 64.86 63.93 3f1h h ILE 43 Cb 1.25 1.52 -0.08 0.00 -3.07 0.00 0.00 36.82 36.45 3f1h h ILE 43 CO 0.09 0.16 0.41 0.03 -0.69 0.00 0.00 178.15 178.14 3f1h h ARG 44 N -0.38 0.64 -0.92 2.37 3.08 -1.37 -2.16 114.38 115.64 3f1h h ARG 44 Ca -0.01 -0.04 0.25 0.00 0.07 0.00 0.00 59.98 60.25 3f1h h ARG 44 Cb 0.33 -0.14 -0.16 0.00 0.08 0.00 0.00 29.97 30.08 3f1h h ARG 44 CO 0.02 0.42 0.08 0.78 -1.07 0.00 0.00 179.97 180.20 3f1h h GLY 45 N 0.66 1.22 0.40 0.04 0.00 -1.29 0.98 103.07 105.07 3f1h h GLY 45 Ca 0.40 0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.81 3f1h h GLY 45 CO -0.29 -0.44 -0.15 3.43 0.00 0.00 0.00 176.54 179.09 3f1h h ASN 46 N 0.07 -0.35 -0.77 0.19 -0.26 -1.40 -3.09 115.58 109.97 3f1h h ASN 46 Ca 0.56 -0.13 0.22 0.00 -0.56 0.00 0.00 56.30 56.39 3f1h h ASN 46 Cb 1.13 0.09 -0.03 0.00 -1.06 0.00 0.00 38.32 38.45 3f1h h ASN 46 CO -0.81 0.13 0.81 0.58 -1.06 0.00 0.00 177.43 177.09 3f1h h VAL 47 N -1.02 0.21 0.79 2.81 2.07 -0.85 0.22 116.25 120.49 3f1h h VAL 47 Ca -0.04 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.44 3f1h h VAL 47 Cb 0.46 0.36 0.01 0.00 -1.52 0.00 0.00 31.29 30.59 3f1h h VAL 47 CO 0.07 0.00 -0.38 -0.08 0.02 0.00 0.00 177.57 177.20 3f1h h GLU 48 N 0.00 -1.02 0.03 1.57 4.57 0.10 -2.71 114.58 117.11 3f1h h GLU 48 Ca 0.37 0.07 0.03 0.00 -1.18 0.00 0.00 59.36 58.64 3f1h h GLU 48 Cb 1.99 0.23 -0.04 0.00 -0.16 0.00 0.00 28.75 30.78 3f1h h GLU 48 CO -0.00 -0.67 -0.22 0.87 -1.18 0.00 0.00 179.01 177.81 3f1h h LYS 49 N -1.17 -0.34 -0.23 1.92 1.57 -0.54 -2.01 116.57 115.77 3f1h h LYS 49 Ca -0.11 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 3f1h h LYS 49 Cb 0.83 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.22 3f1h h LYS 49 CO 0.18 -0.23 0.00 1.33 -0.57 0.00 0.00 179.45 180.16 3f1h n VAL 50 N -5.34 0.00 -0.28 0.50 0.24 -1.05 -4.21 118.33 108.18 3f1h n VAL 50 Ca -0.05 0.00 0.05 0.00 -2.04 0.00 0.00 64.34 62.29 3f1h n VAL 50 Cb 0.26 -0.19 0.14 0.00 -1.47 0.00 0.00 33.84 32.57 3f1h n VAL 50 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3f1h h ALA 51 N 2.33 0.68 0.00 2.33 0.00 -1.02 0.17 119.26 123.75 3f1h h ALA 51 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3f1h h ALA 51 Cb 0.11 0.56 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3f1h h ALA 51 CO 0.00 -0.43 0.00 -2.39 0.00 0.00 0.00 179.25 176.43 3f1h n HIS 52 N -5.47 0.00 -0.73 0.00 1.44 -1.26 -2.04 115.22 107.15 3f1h n HIS 52 Ca 0.13 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.84 3f1h n HIS 52 Cb 0.47 -0.01 0.00 0.00 0.12 0.00 0.00 29.99 30.57 3f1h n HIS 52 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 3f1h n LEU 53 N -0.41 0.33 -3.81 2.39 4.32 0.60 -4.73 117.00 115.69 3f1h n LEU 53 Ca 0.00 -0.33 -0.12 0.00 -0.02 0.00 0.00 56.01 55.54 3f1h n LEU 53 Cb 0.01 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 41.71 3f1h n LEU 53 CO 0.00 0.08 -0.08 0.68 -1.22 0.00 0.00 177.39 176.85 3f1h s VAL 54 N -0.06 0.04 -0.16 4.08 -7.23 -0.87 -0.65 120.40 115.56 3f1h s VAL 54 Ca 0.00 -0.36 -0.05 0.00 -1.81 0.00 0.00 61.98 59.76 3f1h s VAL 54 Cb 0.00 -0.46 -0.03 0.00 0.56 0.00 0.00 36.38 36.45 3f1h s VAL 54 CO 0.00 -0.20 0.01 -0.13 -0.31 0.00 0.00 175.10 174.47 3f1h s ARG 55 N -0.78 3.73 -0.26 4.82 1.81 -0.69 -4.79 118.95 122.79 3f1h s ARG 55 Ca -0.09 -0.44 -0.09 0.00 -1.72 0.00 0.00 55.73 53.40 3f1h s ARG 55 Cb -0.05 -3.02 -0.04 0.00 -0.45 0.00 0.00 34.95 31.39 3f1h s ARG 55 CO 0.02 0.30 0.13 0.08 -0.68 0.00 0.00 175.30 175.15 3f1h s VAL 56 N 0.23 4.83 0.64 3.52 1.01 -1.26 -2.00 120.40 127.37 3f1h s VAL 56 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 61.98 62.03 3f1h s VAL 56 Cb -0.13 -3.28 0.10 0.00 0.00 0.00 0.00 36.38 33.07 3f1h s VAL 56 CO 0.02 0.30 0.88 -1.61 0.00 0.00 0.00 175.10 174.69 3f1h s GLU 57 N 1.61 2.02 -0.06 2.72 0.41 0.13 -4.96 118.70 120.57 3f1h s GLU 57 Ca 0.07 -1.37 0.00 0.00 -0.41 0.00 0.00 54.97 53.26 3f1h s GLU 57 Cb -0.15 -2.50 0.02 0.00 -1.78 0.00 0.00 34.13 29.72 3f1h s GLU 57 CO 0.07 -1.12 -0.04 0.08 -0.49 0.00 0.00 175.26 173.76 3f1h s VAL 58 N -2.89 0.56 0.00 2.63 1.01 -1.26 -2.55 120.40 117.90 3f1h s VAL 58 Ca 0.64 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.52 3f1h s VAL 58 Cb -0.06 -0.60 0.00 0.00 0.00 0.00 0.00 36.38 35.72 3f1h s VAL 58 CO 0.41 0.25 0.00 0.52 0.00 0.00 0.00 175.10 176.28