#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3huz n PRO 2 N 0.00 2.50 -4.27 2.12 -0.02 -1.26 -4.62 135.00 129.45 3huz n PRO 2 Ca 0.00 0.00 -0.25 0.00 -2.02 0.00 0.00 63.50 61.23 3huz n PRO 2 Cb 0.00 0.00 -0.08 0.00 -0.02 0.00 0.00 33.50 33.40 3huz n PRO 2 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 3huz s ARG 3 N 0.00 2.15 -0.11 -0.52 3.52 -1.26 -2.94 118.95 119.79 3huz s ARG 3 Ca 0.00 -1.78 -0.25 0.00 -0.13 0.00 0.00 55.73 53.56 3huz s ARG 3 Cb 0.00 -1.95 0.06 0.00 -1.56 0.00 0.00 34.95 31.50 3huz s ARG 3 CO 0.00 0.04 0.61 -1.17 -0.81 0.00 0.00 175.30 173.97 3huz s LEU 4 N -3.79 -0.36 -0.08 -0.88 0.20 0.48 -3.73 118.68 110.52 3huz s LEU 4 Ca 0.37 0.82 -0.03 0.00 0.69 0.00 0.00 54.13 55.98 3huz s LEU 4 Cb 0.02 2.23 0.04 0.00 -0.43 0.00 0.00 46.19 48.05 3huz s LEU 4 CO 0.21 -0.45 0.10 -0.75 -0.29 0.00 0.00 176.35 175.17 3huz s LYS 5 N -0.68 -0.01 0.24 1.98 2.20 -1.23 0.23 119.74 122.48 3huz s LYS 5 Ca -0.08 0.34 0.11 0.00 -0.36 0.00 0.00 55.97 55.99 3huz s LYS 5 Cb -0.02 -0.70 -0.05 0.00 -1.51 0.00 0.00 37.83 35.54 3huz s LYS 5 CO 0.06 -0.40 -0.20 0.14 -0.36 0.00 0.00 175.35 174.59 3huz s VAL 6 N 2.21 2.29 0.12 4.02 -7.23 -0.65 -4.59 120.40 116.57 3huz s VAL 6 Ca 0.04 -2.28 0.07 0.00 -1.81 0.00 0.00 61.98 58.01 3huz s VAL 6 Cb -0.13 -2.20 -0.04 0.00 0.56 0.00 0.00 36.38 34.58 3huz s VAL 6 CO -0.05 -0.37 -0.17 -0.75 -0.31 0.00 0.00 175.10 173.44 3huz s LYS 7 N -3.33 1.11 -0.70 4.82 2.20 -1.25 0.23 119.74 122.81 3huz s LYS 7 Ca 0.26 -1.24 -0.19 0.00 -0.36 0.00 0.00 55.97 54.44 3huz s LYS 7 Cb -0.05 -1.16 0.12 0.00 -1.51 0.00 0.00 37.83 35.23 3huz s LYS 7 CO 0.12 0.25 0.85 -1.17 -0.36 0.00 0.00 175.35 175.03 3huz s LEU 8 N -2.30 5.31 -0.03 5.43 1.98 0.52 -3.27 118.68 126.33 3huz s LEU 8 Ca 0.09 -1.64 0.19 0.00 -2.89 0.00 0.00 54.13 49.88 3huz s LEU 8 Cb -0.07 -2.33 -0.29 0.00 0.66 0.00 0.00 46.19 44.16 3huz s LEU 8 CO 0.04 -1.10 0.41 1.33 -1.89 0.00 0.00 176.35 175.14 3huz n VAL 9 N 5.41 0.03 -2.41 1.68 0.24 -0.88 0.38 118.33 122.79 3huz n VAL 9 Ca 0.01 -0.44 0.00 0.00 -2.04 0.00 0.00 64.34 61.87 3huz n VAL 9 Cb 0.45 0.05 0.00 0.00 -1.47 0.00 0.00 33.84 32.87 3huz n VAL 9 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 3huz n LYS 10 N -2.17 2.08 -4.55 7.34 3.00 -0.98 -4.87 118.16 118.00 3huz n LYS 10 Ca -0.04 0.00 -0.23 0.00 -0.00 0.00 0.00 58.31 58.04 3huz n LYS 10 Cb 0.51 0.00 -0.16 0.00 0.00 0.00 0.00 35.03 35.38 3huz n LYS 10 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 3huz s SER 11 N -1.00 1.59 0.05 3.14 0.15 -1.26 -4.86 113.70 111.51 3huz s SER 11 Ca 0.00 -0.26 -0.24 0.00 0.70 0.00 0.00 55.95 56.16 3huz s SER 11 Cb 0.00 -0.51 -0.12 0.00 -1.71 0.00 0.00 66.02 63.69 3huz s SER 11 CO 0.00 0.08 1.36 -0.65 1.20 0.00 0.00 173.24 175.23 3huz h PRO 12 N 6.49 -0.67 -3.61 5.44 0.11 -1.97 -3.44 132.00 134.35 3huz h PRO 12 Ca -0.33 0.05 -0.49 0.00 0.11 0.00 0.00 66.00 65.34 3huz h PRO 12 Cb 1.17 0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.42 3huz h PRO 12 CO 0.48 -0.45 0.65 -0.89 -0.21 0.00 0.00 178.00 177.58 3huz n ILE 13 N -4.40 0.00 0.00 4.15 -0.00 -1.26 -0.99 119.36 116.86 3huz n ILE 13 Ca -0.08 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.67 3huz n ILE 13 Cb 0.31 -0.30 0.00 0.00 -0.00 0.00 0.00 39.64 39.65 3huz n ILE 13 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 3huz n GLY 14 N 3.68 1.55 3.81 7.39 0.00 -1.26 -5.10 105.19 115.26 3huz n GLY 14 Ca 0.27 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.04 3huz n GLY 14 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3huz s TYR 15 N -2.09 3.15 0.99 1.61 1.51 -0.17 -5.10 117.35 117.25 3huz s TYR 15 Ca 0.00 -0.04 -0.17 0.00 -1.01 0.00 0.00 57.07 55.85 3huz s TYR 15 Cb 0.00 -1.49 -0.11 0.00 -0.11 0.00 0.00 41.96 40.25 3huz s TYR 15 CO 0.00 0.52 -0.61 -2.30 -1.11 0.00 0.00 175.55 172.05 3huz n PRO 16 N -0.57 -0.09 -0.06 -1.71 -0.02 -1.26 -4.81 135.00 126.47 3huz n PRO 16 Ca -0.08 -0.02 -0.07 0.00 -2.02 0.00 0.00 63.50 61.31 3huz n PRO 16 Cb 0.55 -1.18 -0.05 0.00 -0.02 0.00 0.00 33.50 32.81 3huz n PRO 16 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3huz h LYS 17 N -1.14 -0.19 0.10 -0.52 1.63 -2.00 -3.14 116.57 111.30 3huz h LYS 17 Ca -0.44 0.01 0.02 0.00 -0.85 0.00 0.00 60.65 59.39 3huz h LYS 17 Cb 1.31 0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 32.95 3huz h LYS 17 CO 0.25 -0.13 -0.19 0.38 -3.45 0.00 0.00 179.45 176.31 3huz h ASP 18 N -0.20 -0.55 0.00 4.20 2.03 -2.00 -2.76 116.42 117.15 3huz h ASP 18 Ca 0.03 0.07 0.00 0.00 -0.73 0.00 0.00 57.03 56.40 3huz h ASP 18 Cb 0.28 0.21 0.00 0.00 -0.83 0.00 0.00 39.33 38.99 3huz h ASP 18 CO -0.26 -0.27 0.58 1.56 -1.03 0.00 0.00 179.24 179.81 3huz h GLN 19 N -0.37 0.00 0.14 4.15 4.20 -1.90 1.53 115.11 122.87 3huz h GLN 19 Ca 0.03 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.39 3huz h GLN 19 Cb 0.39 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 3huz h GLN 19 CO -0.12 0.00 -1.84 0.87 -0.67 0.00 0.00 178.83 177.07 3huz h LYS 20 N 0.00 0.31 -0.70 1.46 1.57 -1.50 -3.33 116.57 114.37 3huz h LYS 20 Ca 0.00 -0.52 -0.07 0.00 -1.87 0.00 0.00 60.65 58.19 3huz h LYS 20 Cb 1.16 0.19 -0.03 0.00 0.08 0.00 0.00 32.23 33.63 3huz h LYS 20 CO 0.00 1.22 0.18 0.00 -0.57 0.00 0.00 179.45 180.28 3huz h ALA 21 N 0.17 0.98 -0.88 3.86 0.00 0.20 -2.40 119.26 121.19 3huz h ALA 21 Ca -0.37 -0.24 0.24 0.00 0.00 0.00 0.00 54.91 54.53 3huz h ALA 21 Cb 2.06 -0.27 -0.14 0.00 0.00 0.00 0.00 17.79 19.44 3huz h ALA 21 CO 0.13 0.66 0.26 0.00 0.00 0.00 0.00 179.25 180.31 3huz h ALA 22 N 1.13 1.31 0.00 0.00 0.00 -0.79 1.77 119.26 122.67 3huz h ALA 22 Ca 0.22 0.22 -0.09 0.00 0.00 0.00 0.00 54.91 55.26 3huz h ALA 22 Cb 0.36 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3huz h ALA 22 CO 0.00 -0.46 -0.42 -0.07 0.00 0.00 0.00 179.25 178.30 3huz h LEU 23 N 0.23 0.00 -0.31 0.00 4.07 -1.57 -0.67 115.31 117.06 3huz h LEU 23 Ca 0.56 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.52 3huz h LEU 23 Cb 1.13 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.87 3huz h LEU 23 CO -0.64 0.42 0.00 0.50 -1.08 0.00 0.00 178.44 177.64 3huz h LYS 24 N 0.00 0.00 0.00 1.13 1.63 0.26 0.48 116.57 120.07 3huz h LYS 24 Ca -0.00 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 3huz h LYS 24 Cb 1.15 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 32.78 3huz h LYS 24 CO 0.05 0.00 -0.15 0.00 -3.45 0.00 0.00 179.45 175.90 3huz h ALA 25 N 2.32 0.01 0.00 5.00 0.00 0.19 -3.31 119.26 123.48 3huz h ALA 25 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3huz h ALA 25 Cb 0.67 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3huz h ALA 25 CO 0.00 0.13 0.00 1.28 0.00 0.00 0.00 179.25 180.66 3huz n LEU 26 N -4.71 0.00 -1.36 0.00 4.77 -0.32 -4.89 117.00 110.49 3huz n LEU 26 Ca -0.04 0.29 -0.10 0.00 -0.03 0.00 0.00 56.01 56.13 3huz n LEU 26 Cb 0.13 -0.29 0.01 0.00 -2.33 0.00 0.00 43.42 40.94 3huz n LEU 26 CO 0.07 -0.14 -0.06 0.61 -1.33 0.00 0.00 177.39 176.54 3huz n GLY 27 N 0.03 0.04 3.22 -0.72 0.00 0.99 -4.98 105.19 103.76 3huz n GLY 27 Ca 0.07 -0.41 -0.43 0.00 0.00 0.00 0.00 46.02 45.26 3huz n GLY 27 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3huz n LEU 28 N -1.76 5.41 -1.61 0.99 4.77 0.13 -4.88 117.00 120.05 3huz n LEU 28 Ca -0.08 -5.10 -0.12 0.00 -0.03 0.00 0.00 56.01 50.68 3huz n LEU 28 Cb 0.57 -1.36 0.09 0.00 -2.33 0.00 0.00 43.42 40.39 3huz n LEU 28 CO 0.18 1.47 0.89 0.54 -1.33 0.00 0.00 177.39 179.14 3huz n ARG 29 N 2.32 1.62 -3.68 3.23 1.74 -1.26 -4.77 116.66 115.86 3huz n ARG 29 Ca 0.24 -1.48 -0.10 0.00 -0.77 0.00 0.00 57.85 55.75 3huz n ARG 29 Cb 0.38 -1.58 -0.03 0.00 -1.02 0.00 0.00 32.46 30.21 3huz n ARG 29 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3huz s ARG 30 N -1.62 1.47 -0.06 5.56 0.52 -1.26 -5.16 118.95 118.40 3huz s ARG 30 Ca 0.28 -0.79 -0.10 0.00 -0.52 0.00 0.00 55.73 54.60 3huz s ARG 30 Cb 0.24 0.57 -0.05 0.00 0.52 0.00 0.00 34.95 36.23 3huz s ARG 30 CO 0.05 -0.65 0.26 -1.17 0.02 0.00 0.00 175.30 173.81 3huz s LEU 31 N -2.85 4.42 -0.55 2.53 0.20 -1.26 -4.21 118.68 116.96 3huz s LEU 31 Ca 0.08 0.67 -0.01 0.00 0.69 0.00 0.00 54.13 55.56 3huz s LEU 31 Cb -0.02 -2.34 0.00 0.00 -0.43 0.00 0.00 46.19 43.40 3huz s LEU 31 CO -0.03 0.36 0.46 0.00 -0.29 0.00 0.00 176.35 176.86 3huz n GLN 32 N 1.82 -3.08 -4.52 1.98 1.13 1.23 -4.97 117.38 110.97 3huz n GLN 32 Ca -0.17 0.38 -0.28 0.00 -1.94 0.00 0.00 57.00 55.00 3huz n GLN 32 Cb 0.54 -4.03 -0.17 0.00 0.11 0.00 0.00 30.24 26.70 3huz n GLN 32 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 3huz s GLN 33 N -4.74 2.10 -0.10 -1.09 0.74 -1.24 -4.84 119.66 110.48 3huz s GLN 33 Ca 0.03 -0.53 -0.10 0.00 0.05 0.00 0.00 55.36 54.82 3huz s GLN 33 Cb -0.02 -1.77 -0.05 0.00 1.10 0.00 0.00 33.01 32.28 3huz s GLN 33 CO 0.33 -0.03 0.22 -1.21 -0.55 0.00 0.00 175.29 174.05 3huz s GLU 34 N 0.89 3.74 -0.14 1.67 2.02 -1.26 -0.35 118.70 125.27 3huz s GLU 34 Ca -0.09 0.02 0.00 0.00 0.02 0.00 0.00 54.97 54.92 3huz s GLU 34 Cb -0.15 -3.25 -0.01 0.00 0.10 0.00 0.00 34.13 30.82 3huz s GLU 34 CO 0.00 0.64 -0.15 0.50 0.02 0.00 0.00 175.26 176.27 3huz s ARG 35 N -0.70 3.26 -1.22 1.61 6.06 0.62 -4.92 118.95 123.66 3huz s ARG 35 Ca 0.17 -0.74 -0.16 0.00 -2.50 0.00 0.00 55.73 52.49 3huz s ARG 35 Cb -0.13 -2.60 0.12 0.00 0.06 0.00 0.00 34.95 32.40 3huz s ARG 35 CO 0.06 0.10 1.55 0.14 -2.50 0.00 0.00 175.30 174.65 3huz s VAL 36 N 0.61 4.55 0.36 7.11 -7.23 -1.26 -1.64 120.40 122.90 3huz s VAL 36 Ca -0.09 -2.14 0.06 0.00 -1.81 0.00 0.00 61.98 58.00 3huz s VAL 36 Cb -0.16 -5.04 -0.00 0.00 0.56 0.00 0.00 36.38 31.74 3huz s VAL 36 CO 0.03 -1.81 0.51 -0.76 -0.31 0.00 0.00 175.10 172.75 3huz s LEU 37 N 3.02 3.88 -0.37 1.32 1.43 0.62 -4.95 118.68 123.62 3huz s LEU 37 Ca 0.47 -0.20 -0.12 0.00 -1.03 0.00 0.00 54.13 53.26 3huz s LEU 37 Cb 0.00 -2.77 0.02 0.00 0.03 0.00 0.00 46.19 43.48 3huz s LEU 37 CO 0.02 -0.52 0.22 -0.70 0.23 0.00 0.00 176.35 175.60 3huz s GLU 38 N -4.24 2.92 -0.80 1.70 2.56 -1.26 -0.39 118.70 119.18 3huz s GLU 38 Ca 0.47 -1.02 -0.23 0.00 0.00 0.00 0.00 54.97 54.20 3huz s GLU 38 Cb -0.10 -3.76 -0.18 0.00 2.00 0.00 0.00 34.13 32.09 3huz s GLU 38 CO 0.32 -0.67 2.38 -3.47 -0.56 0.00 0.00 175.26 173.25 3huz n ASP 39 N 5.03 1.06 -4.49 -1.70 2.03 -1.15 -4.78 116.55 112.55 3huz n ASP 39 Ca -0.12 -1.02 -0.28 0.00 0.52 0.00 0.00 54.79 53.90 3huz n ASP 39 Cb 0.47 -1.35 -0.11 0.00 -0.72 0.00 0.00 41.12 39.40 3huz n ASP 39 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 3huz s THR 40 N 10.79 2.76 0.58 5.18 -4.23 -1.26 -4.48 115.64 124.98 3huz s THR 40 Ca 1.05 -1.74 0.28 0.00 -1.18 0.00 0.00 61.69 60.10 3huz s THR 40 Cb -0.37 -2.32 0.36 0.00 1.34 0.00 0.00 72.50 71.52 3huz s THR 40 CO 0.25 -0.04 2.05 -0.65 -0.54 0.00 0.00 174.62 175.69 3huz h PRO 41 N 3.30 0.00 0.22 3.99 0.11 -1.98 0.87 132.00 138.50 3huz h PRO 41 Ca -0.48 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 3huz h PRO 41 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3huz h PRO 41 CO 0.49 0.00 -0.10 0.00 -0.21 0.00 0.00 178.00 178.17 3huz h ALA 42 N 1.72 -0.59 -0.91 -0.75 0.00 -1.95 -1.28 119.26 115.50 3huz h ALA 42 Ca 0.13 -0.06 0.18 0.00 0.00 0.00 0.00 54.91 55.15 3huz h ALA 42 Cb 0.66 0.11 -0.11 0.00 0.00 0.00 0.00 17.79 18.45 3huz h ALA 42 CO -0.00 -0.57 0.49 0.82 0.00 0.00 0.00 179.25 179.99 3huz h ILE 43 N -0.49 0.66 -0.38 0.00 1.08 -1.79 0.21 117.51 116.80 3huz h ILE 43 Ca -0.03 -0.21 0.05 0.00 -0.39 0.00 0.00 64.86 64.28 3huz h ILE 43 Cb 0.22 -0.01 -0.05 0.00 -3.07 0.00 0.00 36.82 33.91 3huz h ILE 43 CO 0.05 0.11 0.11 0.03 -0.69 0.00 0.00 178.15 177.76 3huz h ARG 44 N 0.62 0.24 -0.18 2.37 3.08 -0.87 -2.84 114.38 116.80 3huz h ARG 44 Ca 0.53 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.59 3huz h ARG 44 Cb 0.84 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.78 3huz h ARG 44 CO -0.41 0.16 -0.37 0.78 -1.07 0.00 0.00 179.97 179.06 3huz h GLY 45 N 0.25 -1.28 -0.04 0.04 0.00 0.65 0.17 103.07 102.86 3huz h GLY 45 Ca 0.18 0.72 0.01 0.00 0.00 0.00 0.00 47.33 48.24 3huz h GLY 45 CO -0.21 -0.33 -0.12 3.43 0.00 0.00 0.00 176.54 179.31 3huz h ASN 46 N -0.33 -0.38 -1.00 0.19 4.21 -1.36 -0.62 115.58 116.30 3huz h ASN 46 Ca 0.03 0.05 0.26 0.00 1.21 0.00 0.00 56.30 57.85 3huz h ASN 46 Cb 0.43 0.15 -0.19 0.00 -1.12 0.00 0.00 38.32 37.59 3huz h ASN 46 CO -0.34 -0.10 -0.02 0.58 -1.29 0.00 0.00 177.43 176.25 3huz h VAL 47 N -0.12 0.01 -0.96 2.81 2.07 -1.42 1.47 116.25 120.11 3huz h VAL 47 Ca 0.01 -0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.72 3huz h VAL 47 Cb 0.14 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 29.81 3huz h VAL 47 CO -0.10 0.00 0.54 -0.33 0.02 0.00 0.00 177.57 177.70 3huz h GLU 48 N 0.00 0.64 -0.43 1.57 5.08 0.88 -0.86 114.58 121.46 3huz h GLU 48 Ca 0.59 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.91 3huz h GLU 48 Cb 1.17 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.27 3huz h GLU 48 CO -0.95 0.42 0.00 1.17 -1.00 0.00 0.00 179.01 178.65 3huz n LYS 49 N -4.85 2.03 -2.10 2.33 0.00 0.50 -3.88 118.16 112.20 3huz n LYS 49 Ca 0.22 -1.60 0.02 0.00 0.00 0.00 0.00 58.31 56.95 3huz n LYS 49 Cb 0.58 -1.36 0.03 0.00 0.00 0.00 0.00 35.03 34.29 3huz n LYS 49 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 3huz n VAL 50 N 0.80 0.56 0.00 3.15 0.24 -0.38 -4.94 118.33 117.76 3huz n VAL 50 Ca 0.15 -1.85 -0.00 0.00 -2.04 0.00 0.00 64.34 60.61 3huz n VAL 50 Cb 0.38 1.13 -0.00 0.00 -1.47 0.00 0.00 33.84 33.88 3huz n VAL 50 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3huz h ALA 51 N 1.71 -0.61 -0.59 2.33 0.00 -1.53 -2.31 119.26 118.26 3huz h ALA 51 Ca -0.19 -0.00 0.22 0.00 0.00 0.00 0.00 54.91 54.93 3huz h ALA 51 Cb 1.61 0.39 -0.08 0.00 0.00 0.00 0.00 17.79 19.71 3huz h ALA 51 CO 0.13 -0.61 0.36 -2.39 0.00 0.00 0.00 179.25 176.73 3huz n HIS 52 N -2.39 0.43 0.14 0.00 1.44 -1.26 0.32 115.22 113.90 3huz n HIS 52 Ca -0.00 0.44 0.08 0.00 -2.01 0.00 0.00 57.72 56.23 3huz n HIS 52 Cb 0.00 -0.84 0.05 0.00 0.12 0.00 0.00 29.99 29.32 3huz n HIS 52 CO 0.00 0.00 0.00 -0.07 -2.81 0.00 0.00 176.34 173.46 3huz h LEU 53 N 0.00 0.00 -8.38 2.39 3.38 -1.82 -3.42 115.31 107.46 3huz h LEU 53 Ca 0.42 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.22 3huz h LEU 53 Cb 1.25 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.87 3huz h LEU 53 CO -0.29 0.20 -0.49 -0.69 0.09 0.00 0.00 178.44 177.26 3huz s VAL 54 N -3.16 0.05 -0.14 1.22 1.01 0.94 -2.07 120.40 118.24 3huz s VAL 54 Ca 0.03 -1.76 0.01 0.00 0.00 0.00 0.00 61.98 60.26 3huz s VAL 54 Cb 0.07 -2.18 0.02 0.00 0.00 0.00 0.00 36.38 34.29 3huz s VAL 54 CO 0.74 -0.20 -0.17 -0.13 0.00 0.00 0.00 175.10 175.34 3huz s ARG 55 N -4.06 2.52 0.00 2.72 0.52 -1.20 -4.60 118.95 114.85 3huz s ARG 55 Ca 0.27 -0.66 0.00 0.00 -0.52 0.00 0.00 55.73 54.83 3huz s ARG 55 Cb 0.05 -2.19 0.00 0.00 0.52 0.00 0.00 34.95 33.33 3huz s ARG 55 CO 0.06 -0.15 0.00 0.28 0.02 0.00 0.00 175.30 175.50 3huz n VAL 56 N 4.49 0.00 -0.71 3.52 0.31 -1.26 -3.81 118.33 120.87 3huz n VAL 56 Ca -0.19 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 3huz n VAL 56 Cb 0.51 -0.24 0.00 0.00 -0.91 0.00 0.00 33.84 33.20 3huz n VAL 56 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3huz n GLU 57 N 0.00 -1.98 -3.22 5.55 2.13 -1.26 -4.26 120.64 117.60 3huz n GLU 57 Ca 0.00 1.44 -0.39 0.00 0.66 0.00 0.00 57.16 58.87 3huz n GLU 57 Cb 0.00 -1.58 -0.06 0.00 0.27 0.00 0.00 31.44 30.08 3huz n GLU 57 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3huz s VAL 58 N -1.36 5.03 0.16 6.31 1.01 -1.26 -3.47 120.40 126.81 3huz s VAL 58 Ca 0.00 1.18 0.05 0.00 0.00 0.00 0.00 61.98 63.21 3huz s VAL 58 Cb 0.00 -3.91 -0.05 0.00 0.00 0.00 0.00 36.38 32.42 3huz s VAL 58 CO 0.00 0.36 -0.09 -0.69 0.00 0.00 0.00 175.10 174.68 3huz s VAL 59 N 0.22 1.18 0.00 2.92 1.01 -1.24 -4.93 120.40 119.56 3huz s VAL 59 Ca 0.31 -2.07 0.00 0.00 0.00 0.00 0.00 61.98 60.22 3huz s VAL 59 Cb -0.17 -1.91 0.00 0.00 0.00 0.00 0.00 36.38 34.30 3huz s VAL 59 CO 0.15 -0.69 0.00 -1.84 0.00 0.00 0.00 175.10 172.72