#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fxr s ARG 2 N 0.00 4.14 0.43 0.00 3.52 -1.26 -4.94 118.95 120.84 1fxr s ARG 2 Ca 0.00 2.52 -0.21 0.00 -0.13 0.00 0.00 55.73 57.91 1fxr s ARG 2 Cb 0.00 -2.99 -0.10 0.00 -1.56 0.00 0.00 34.95 30.29 1fxr s ARG 2 CO 0.00 -0.51 0.97 0.21 -0.81 0.00 0.00 175.30 175.16 1fxr s LYS 3 N -1.76 4.20 0.10 5.12 2.20 -1.23 -4.96 119.74 123.39 1fxr s LYS 3 Ca 0.54 1.19 -0.11 0.00 -0.36 0.00 0.00 55.97 57.23 1fxr s LYS 3 Cb -0.46 -2.23 0.01 0.00 -1.51 0.00 0.00 37.83 33.64 1fxr s LYS 3 CO 0.59 -0.06 0.25 -0.59 -0.36 0.00 0.00 175.35 175.17 1fxr s PHE 4 N -2.08 0.05 0.05 4.03 -0.71 -1.26 -0.65 117.98 117.41 1fxr s PHE 4 Ca 0.62 -0.44 -0.26 0.00 -1.04 0.00 0.00 56.93 55.80 1fxr s PHE 4 Cb -0.11 0.03 0.07 0.00 -1.21 0.00 0.00 43.02 41.79 1fxr s PHE 4 CO 0.15 -0.58 0.61 1.52 -1.34 0.00 0.00 175.22 175.58 1fxr s TYR 5 N -3.81 -0.56 0.02 3.49 1.13 -0.74 -4.92 117.35 111.96 1fxr s TYR 5 Ca 0.04 0.69 -0.20 0.00 -1.41 0.00 0.00 57.07 56.19 1fxr s TYR 5 Cb 0.04 0.45 -0.06 0.00 -1.10 0.00 0.00 41.96 41.29 1fxr s TYR 5 CO -0.11 -0.70 0.59 0.08 -2.51 0.00 0.00 175.55 172.89 1fxr s VAL 6 N -2.40 4.86 -0.61 -3.49 1.01 -1.26 -1.47 120.40 117.04 1fxr s VAL 6 Ca -0.05 1.23 -0.19 0.00 0.00 0.00 0.00 61.98 62.97 1fxr s VAL 6 Cb -0.01 -3.92 0.10 0.00 0.00 0.00 0.00 36.38 32.56 1fxr s VAL 6 CO -0.01 0.46 0.73 -0.62 0.00 0.00 0.00 175.10 175.66 1fxr s ASP 7 N -0.46 6.20 0.55 3.32 2.15 0.95 -4.89 116.67 124.49 1fxr s ASP 7 Ca 0.30 -1.44 0.33 0.00 0.43 0.00 0.00 52.55 52.18 1fxr s ASP 7 Cb -0.19 -2.31 1.50 0.00 -0.30 0.00 0.00 42.92 41.62 1fxr s ASP 7 CO 0.18 -1.13 2.04 1.56 -0.17 0.00 0.00 175.17 177.65 1fxr h GLN 8 N 9.19 0.00 -0.62 4.34 4.20 -1.88 -2.78 115.11 127.56 1fxr h GLN 8 Ca -0.28 0.00 0.06 0.00 0.06 0.00 0.00 58.65 58.49 1fxr h GLN 8 Cb 1.08 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.83 1fxr h GLN 8 CO 1.10 0.05 0.41 -0.44 -0.67 0.00 0.00 178.83 179.28 1fxr h ASP 9 N 0.00 0.53 0.42 1.46 3.32 -1.98 -2.92 116.42 117.25 1fxr h ASP 9 Ca -0.00 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.92 1fxr h ASP 9 Cb 0.43 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 1fxr h ASP 9 CO 0.01 0.34 -1.69 1.21 -1.72 0.00 0.00 179.24 177.39 1fxr n GLU 10 N -4.48 0.64 -1.68 3.56 4.07 -1.07 -4.98 120.64 116.70 1fxr n GLU 10 Ca 0.09 0.05 -0.50 0.00 -0.06 0.00 0.00 57.16 56.73 1fxr n GLU 10 Cb 0.24 -1.68 -0.05 0.00 -0.06 0.00 0.00 31.44 29.89 1fxr n GLU 10 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1fxr n ILE 12 N 4.40 1.47 -1.69 0.00 -0.00 -1.26 -4.94 119.36 117.34 1fxr n ILE 12 Ca 0.22 -0.84 -0.05 0.00 -0.00 0.00 0.00 62.75 62.08 1fxr n ILE 12 Cb 0.25 -0.15 -0.02 0.00 -0.00 0.00 0.00 39.64 39.72 1fxr n ILE 12 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1fxr n ALA 13 N 0.56 -0.41 0.23 -1.39 0.00 -1.26 -4.87 120.51 113.37 1fxr n ALA 13 Ca 0.18 0.07 0.17 0.00 0.00 0.00 0.00 53.44 53.86 1fxr n ALA 13 Cb 0.74 -0.81 0.77 0.00 0.00 0.00 0.00 19.45 20.14 1fxr n ALA 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1fxr n GLU 15 N -3.25 -0.08 -0.31 0.00 1.02 -1.26 -4.94 120.64 111.82 1fxr n GLU 15 Ca 0.02 0.02 0.12 0.00 -0.02 0.00 0.00 57.16 57.30 1fxr n GLU 15 Cb 0.50 -3.37 0.34 0.00 -0.02 0.00 0.00 31.44 28.89 1fxr n GLU 15 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 1fxr h SER 16 N 0.00 0.74 0.15 1.62 0.02 -1.99 -1.81 113.55 112.28 1fxr h SER 16 Ca 0.00 0.06 -0.08 0.00 -0.84 0.00 0.00 61.79 60.93 1fxr h SER 16 Cb 0.04 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 1fxr h SER 16 CO 0.00 0.35 -0.28 0.00 -1.14 0.00 0.00 176.83 175.75 1fxr h VAL 18 N 0.20 1.52 -0.21 0.00 2.07 -1.69 0.26 116.25 118.39 1fxr h VAL 18 Ca 0.03 -2.78 -0.09 0.00 0.82 0.00 0.00 66.70 64.68 1fxr h VAL 18 Cb 0.61 2.59 -0.00 0.00 -1.52 0.00 0.00 31.29 32.97 1fxr h VAL 18 CO 0.04 0.81 -0.20 -0.33 0.02 0.00 0.00 177.57 177.91 1fxr h GLU 19 N 0.09 0.51 -0.03 1.57 5.08 -1.06 -3.15 114.58 117.59 1fxr h GLU 19 Ca -0.06 -0.27 -0.25 0.00 -1.00 0.00 0.00 59.36 57.79 1fxr h GLU 19 Cb 1.61 0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.89 1fxr h GLU 19 CO 0.15 0.85 -0.96 0.82 -1.00 0.00 0.00 179.01 178.86 1fxr h ILE 20 N 0.19 1.31 -2.06 3.13 2.04 -1.00 -3.40 117.51 117.73 1fxr h ILE 20 Ca 0.03 -2.24 -0.57 0.00 1.00 0.00 0.00 64.86 63.08 1fxr h ILE 20 Cb 0.75 2.30 -0.40 0.00 -0.74 0.00 0.00 36.82 38.73 1fxr h ILE 20 CO 0.05 0.69 -0.96 0.00 0.00 0.00 0.00 178.15 177.93 1fxr n ALA 21 N -2.61 2.93 0.34 1.87 0.00 0.08 -4.98 120.51 118.13 1fxr n ALA 21 Ca -0.09 -3.82 0.15 0.00 0.00 0.00 0.00 53.44 49.68 1fxr n ALA 21 Cb 0.84 -0.84 0.57 0.00 0.00 0.00 0.00 19.45 20.02 1fxr n ALA 21 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1fxr h PRO 22 N 3.99 0.00 0.00 0.00 0.13 -1.72 -0.89 132.00 133.51 1fxr h PRO 22 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1fxr h PRO 22 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 1fxr h PRO 22 CO 0.58 0.00 -0.39 0.41 -0.23 0.00 0.00 178.00 178.37 1fxr n GLY 23 N 0.15 -1.52 0.08 1.56 0.00 -1.25 -4.30 105.19 99.91 1fxr n GLY 23 Ca 0.02 -0.17 -0.10 0.00 0.00 0.00 0.00 46.02 45.77 1fxr n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fxr n ALA 24 N -1.81 1.62 -2.47 4.61 0.00 -0.79 -4.14 120.51 117.52 1fxr n ALA 24 Ca 0.04 -0.91 -0.30 0.00 0.00 0.00 0.00 53.44 52.27 1fxr n ALA 24 Cb 0.43 -0.01 -0.12 0.00 0.00 0.00 0.00 19.45 19.75 1fxr n ALA 24 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1fxr s PHE 25 N -2.37 2.56 0.06 0.00 0.08 -0.41 -0.33 117.98 117.57 1fxr s PHE 25 Ca -0.15 -0.25 -0.08 0.00 0.12 0.00 0.00 56.93 56.57 1fxr s PHE 25 Cb 0.05 -1.42 -0.00 0.00 -0.57 0.00 0.00 43.02 41.08 1fxr s PHE 25 CO 0.54 0.31 0.17 0.00 -0.10 0.00 0.00 175.22 176.14 1fxr s ALA 26 N -1.02 -0.22 0.05 5.36 0.00 -0.98 -4.60 121.76 120.36 1fxr s ALA 26 Ca 0.16 -0.50 -0.24 0.00 0.00 0.00 0.00 51.96 51.38 1fxr s ALA 26 Cb -0.11 0.36 -0.06 0.00 0.00 0.00 0.00 23.12 23.31 1fxr s ALA 26 CO 0.07 -0.41 0.72 -1.64 0.00 0.00 0.00 175.76 174.50 1fxr s MET 27 N -3.16 4.45 -0.40 0.00 -1.94 -1.26 -1.18 119.30 115.81 1fxr s MET 27 Ca -0.00 0.99 -0.26 0.00 -1.71 0.00 0.00 55.69 54.71 1fxr s MET 27 Cb 0.02 -3.34 0.02 0.00 2.01 0.00 0.00 34.83 33.54 1fxr s MET 27 CO -0.07 0.36 0.94 0.34 -0.01 0.00 0.00 175.02 176.58 1fxr s ASP 28 N -0.30 6.63 0.57 3.03 -1.08 0.08 -4.92 116.67 120.68 1fxr s ASP 28 Ca 0.36 0.45 0.27 0.00 -0.52 0.00 0.00 52.55 53.11 1fxr s ASP 28 Cb -0.20 -2.47 1.68 0.00 -1.46 0.00 0.00 42.92 40.47 1fxr s ASP 28 CO 0.22 -0.93 2.21 1.55 0.52 0.00 0.00 175.17 178.74 1fxr h PRO 29 N 8.68 0.00 0.00 4.34 0.13 -1.97 -0.14 132.00 143.04 1fxr h PRO 29 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 1fxr h PRO 29 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1fxr h PRO 29 CO 1.00 0.02 -0.78 0.39 -0.23 0.00 0.00 178.00 178.40 1fxr n GLU 30 N -3.94 2.24 0.00 0.86 4.71 -1.26 -4.40 120.64 118.85 1fxr n GLU 30 Ca -0.03 -0.02 0.05 0.00 -0.01 0.00 0.00 57.16 57.15 1fxr n GLU 30 Cb 0.11 -1.16 -0.01 0.00 -1.01 0.00 0.00 31.44 29.37 1fxr n GLU 30 CO 0.00 0.00 0.00 0.44 0.09 0.00 0.00 177.13 177.66 1fxr n ILE 31 N -1.41 0.00 -3.71 -3.67 -5.35 -0.78 -5.02 119.36 99.42 1fxr n ILE 31 Ca 0.02 -0.38 -0.25 0.00 -0.27 0.00 0.00 62.75 61.88 1fxr n ILE 31 Cb 0.23 1.11 0.05 0.00 -1.74 0.00 0.00 39.64 39.29 1fxr n ILE 31 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1fxr n GLU 32 N -0.36 -6.17 -4.23 6.28 -0.58 -0.14 -5.01 120.64 110.43 1fxr n GLU 32 Ca 0.04 0.70 -0.18 0.00 -0.42 0.00 0.00 57.16 57.30 1fxr n GLU 32 Cb 0.21 -5.57 -0.11 0.00 -0.57 0.00 0.00 31.44 25.40 1fxr n GLU 32 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1fxr s LYS 33 N -6.20 0.99 0.46 3.49 -0.14 -1.26 -4.37 119.74 112.71 1fxr s LYS 33 Ca 0.38 -1.18 -0.12 0.00 -1.36 0.00 0.00 55.97 53.70 1fxr s LYS 33 Cb -0.18 -0.91 -0.06 0.00 -1.68 0.00 0.00 37.83 34.99 1fxr s LYS 33 CO 0.79 0.18 0.85 0.00 -0.76 0.00 0.00 175.35 176.41 1fxr s ALA 34 N -1.93 3.26 0.13 5.17 0.00 -1.26 -0.74 121.76 126.38 1fxr s ALA 34 Ca 0.07 -0.11 -0.07 0.00 0.00 0.00 0.00 51.96 51.84 1fxr s ALA 34 Cb -0.06 -2.84 -0.01 0.00 0.00 0.00 0.00 23.12 20.21 1fxr s ALA 34 CO 0.03 -0.15 0.21 1.52 0.00 0.00 0.00 175.76 177.37 1fxr s TYR 35 N -2.53 0.38 -0.36 0.00 1.13 -0.32 -4.83 117.35 110.81 1fxr s TYR 35 Ca 0.53 -0.77 -0.29 0.00 -1.41 0.00 0.00 57.07 55.13 1fxr s TYR 35 Cb -0.10 -0.13 0.02 0.00 -1.10 0.00 0.00 41.96 40.65 1fxr s TYR 35 CO 0.34 -0.62 1.14 0.08 -2.51 0.00 0.00 175.55 173.99 1fxr s VAL 36 N -3.94 4.35 -0.33 -3.49 1.01 -1.26 -2.32 120.40 114.42 1fxr s VAL 36 Ca 0.13 1.51 0.23 0.00 0.00 0.00 0.00 61.98 63.85 1fxr s VAL 36 Cb 0.05 -4.41 0.06 0.00 0.00 0.00 0.00 36.38 32.08 1fxr s VAL 36 CO -0.04 -0.61 1.18 0.07 0.00 0.00 0.00 175.10 175.70 1fxr h LYS 37 N 8.66 0.00 -1.84 2.72 2.10 -0.99 -3.46 116.57 123.76 1fxr h LYS 37 Ca -0.22 0.00 0.06 0.00 -2.00 0.00 0.00 60.65 58.49 1fxr h LYS 37 Cb 1.07 0.00 -0.21 0.00 -0.90 0.00 0.00 32.23 32.19 1fxr h LYS 37 CO 1.06 0.00 -0.19 0.34 -2.00 0.00 0.00 179.45 178.66 1fxr s ASP 38 N -5.33 -1.08 0.54 7.07 2.15 -1.09 -5.02 116.67 113.92 1fxr s ASP 38 Ca 0.02 1.34 0.31 0.00 0.43 0.00 0.00 52.55 54.65 1fxr s ASP 38 Cb 0.09 2.16 1.54 0.00 -0.30 0.00 0.00 42.92 46.41 1fxr s ASP 38 CO 0.76 -0.23 2.08 1.62 -0.17 0.00 0.00 175.17 179.23 1fxr h VAL 39 N 6.02 0.37 -0.42 1.11 3.04 -1.89 -1.64 116.25 122.84 1fxr h VAL 39 Ca -0.19 -0.50 0.00 0.00 -1.01 0.00 0.00 66.70 65.00 1fxr h VAL 39 Cb 1.11 1.36 0.00 0.00 -2.01 0.00 0.00 31.29 31.76 1fxr h VAL 39 CO 0.14 0.09 0.00 -0.62 -1.01 0.00 0.00 177.57 176.16 1fxr n GLU 40 N -3.42 2.45 -0.12 4.17 -0.58 -1.26 -4.62 120.64 117.26 1fxr n GLU 40 Ca -0.01 -2.21 0.03 0.00 -0.42 0.00 0.00 57.16 54.55 1fxr n GLU 40 Cb 0.24 -1.51 0.08 0.00 -0.57 0.00 0.00 31.44 29.69 1fxr n GLU 40 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1fxr n GLY 41 N 1.49 0.26 3.48 0.62 0.00 -0.62 -4.79 105.19 105.63 1fxr n GLY 41 Ca 0.20 -0.20 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 1fxr n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fxr s ALA 42 N -1.69 -1.69 0.94 4.61 0.00 -1.26 -2.90 121.76 119.76 1fxr s ALA 42 Ca 0.12 0.97 -0.12 0.00 0.00 0.00 0.00 51.96 52.93 1fxr s ALA 42 Cb 0.07 0.37 0.15 0.00 0.00 0.00 0.00 23.12 23.71 1fxr s ALA 42 CO 0.07 -0.53 1.10 -1.54 0.00 0.00 0.00 175.76 174.86 1fxr s SER 43 N -1.83 3.15 0.30 0.00 1.04 -1.26 -4.83 113.70 110.26 1fxr s SER 43 Ca -0.06 1.25 0.00 0.00 0.48 0.00 0.00 55.95 57.62 1fxr s SER 43 Cb -0.00 -1.91 0.46 0.00 0.10 0.00 0.00 66.02 64.66 1fxr s SER 43 CO 0.00 -2.81 1.84 -0.61 0.98 0.00 0.00 173.24 172.64 1fxr h GLN 44 N -1.67 0.73 -0.06 4.02 4.15 -1.99 -1.57 115.11 118.72 1fxr h GLN 44 Ca -0.52 -0.15 -0.11 0.00 0.77 0.00 0.00 58.65 58.64 1fxr h GLN 44 Cb 1.31 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.88 1fxr h GLN 44 CO 0.58 0.69 -0.44 0.93 -1.93 0.00 0.00 178.83 178.65 1fxr h GLU 45 N 0.70 0.15 -0.04 1.69 4.39 -1.99 -1.66 114.58 117.82 1fxr h GLU 45 Ca 0.15 -0.07 -0.17 0.00 0.34 0.00 0.00 59.36 59.61 1fxr h GLU 45 Cb 0.31 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 1fxr h GLU 45 CO 0.00 0.57 -0.73 1.49 -1.16 0.00 0.00 179.01 179.18 1fxr h GLU 46 N 0.12 0.22 -0.17 2.33 4.81 -1.83 -1.21 114.58 118.86 1fxr h GLU 46 Ca 0.01 -0.19 -0.01 0.00 -0.13 0.00 0.00 59.36 59.03 1fxr h GLU 46 Cb 0.84 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.25 1fxr h GLU 46 CO 0.06 0.86 0.05 0.28 -0.73 0.00 0.00 179.01 179.53 1fxr h VAL 47 N 0.15 1.18 -0.87 0.32 2.07 -1.00 -2.33 116.25 115.78 1fxr h VAL 47 Ca -0.02 -0.57 0.02 0.00 0.82 0.00 0.00 66.70 66.94 1fxr h VAL 47 Cb 1.29 1.25 -0.05 0.00 -1.52 0.00 0.00 31.29 32.27 1fxr h VAL 47 CO 0.11 0.18 0.57 -0.33 0.02 0.00 0.00 177.57 178.12 1fxr h GLU 48 N 0.09 1.11 -0.56 1.57 5.08 -1.17 0.33 114.58 121.02 1fxr h GLU 48 Ca 0.05 -0.07 0.07 0.00 -1.00 0.00 0.00 59.36 58.42 1fxr h GLU 48 Cb 0.23 -0.25 -0.06 0.00 0.50 0.00 0.00 28.75 29.17 1fxr h GLU 48 CO -0.00 0.73 0.24 1.49 -1.00 0.00 0.00 179.01 180.48 1fxr h GLU 49 N 1.14 0.45 -0.37 2.33 4.81 -1.09 0.12 114.58 121.97 1fxr h GLU 49 Ca 0.33 -0.03 -0.14 0.00 -0.13 0.00 0.00 59.36 59.40 1fxr h GLU 49 Cb -0.08 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.19 1fxr h GLU 49 CO -0.09 0.29 -0.31 0.00 -0.73 0.00 0.00 179.01 178.17 1fxr h ALA 50 N 1.35 0.75 -0.67 2.92 0.00 -0.63 -1.19 119.26 121.78 1fxr h ALA 50 Ca 0.27 -0.42 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 1fxr h ALA 50 Cb 0.26 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 1fxr h ALA 50 CO -0.23 0.66 0.22 0.52 0.00 0.00 0.00 179.25 180.41 1fxr h MET 51 N 0.68 1.04 0.00 0.00 2.86 -0.41 -1.61 114.93 117.49 1fxr h MET 51 Ca 0.07 -0.22 -0.13 0.00 -2.06 0.00 0.00 59.70 57.37 1fxr h MET 51 Cb 0.86 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 32.35 1fxr h MET 51 CO 0.08 0.90 -0.61 -0.44 1.06 0.00 0.00 176.91 177.90 1fxr h ASP 52 N 0.98 0.00 0.78 1.22 3.32 -0.54 -3.17 116.42 119.01 1fxr h ASP 52 Ca 0.22 0.00 -0.19 0.00 0.02 0.00 0.00 57.03 57.08 1fxr h ASP 52 Cb 0.29 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 1fxr h ASP 52 CO -0.01 0.61 -0.87 0.74 -1.72 0.00 0.00 179.24 177.99 1fxr h THR 53 N 0.00 1.58 -0.83 0.35 2.02 -1.07 -3.47 112.91 111.49 1fxr h THR 53 Ca -0.01 -2.85 -0.74 0.00 0.77 0.00 0.00 66.41 63.59 1fxr h THR 53 Cb 1.17 2.56 -0.02 0.00 -1.74 0.00 0.00 68.15 70.13 1fxr h THR 53 CO 0.08 0.82 1.21 0.00 0.37 0.00 0.00 175.52 178.00 1fxr h PRO 55 N 9.54 0.01 -0.53 0.00 0.13 -1.92 -0.75 132.00 138.48 1fxr h PRO 55 Ca -0.27 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1fxr h PRO 55 Cb 1.36 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.48 1fxr h PRO 55 CO 1.03 0.01 0.00 1.33 -0.23 0.00 0.00 178.00 180.13 1fxr n VAL 56 N -4.53 1.37 -4.10 1.56 0.24 -1.26 -5.01 118.33 106.60 1fxr n VAL 56 Ca -0.02 -1.15 -0.33 0.00 -2.04 0.00 0.00 64.34 60.80 1fxr n VAL 56 Cb 0.11 0.32 -0.04 0.00 -1.47 0.00 0.00 33.84 32.77 1fxr n VAL 56 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1fxr n GLN 57 N 0.90 -1.47 -0.04 7.34 1.13 -0.29 -4.90 117.38 120.04 1fxr n GLN 57 Ca 0.20 0.21 0.10 0.00 -1.94 0.00 0.00 57.00 55.58 1fxr n GLN 57 Cb 0.66 -3.67 0.11 0.00 0.11 0.00 0.00 30.24 27.46 1fxr n GLN 57 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1fxr s ILE 59 N -1.64 5.33 0.13 0.00 1.01 -1.26 -0.04 121.20 124.73 1fxr s ILE 59 Ca 0.27 0.17 0.08 0.00 0.00 0.00 0.00 60.65 61.17 1fxr s ILE 59 Cb 0.18 -3.49 -0.04 0.00 0.01 0.00 0.00 42.46 39.12 1fxr s ILE 59 CO 0.27 0.33 -0.20 -1.00 0.00 0.00 0.00 174.94 174.34 1fxr s HIS 60 N 1.15 1.80 0.49 3.97 3.76 -0.54 -4.94 115.29 120.97 1fxr s HIS 60 Ca 0.07 -0.44 -0.13 0.00 -0.15 0.00 0.00 55.06 54.41 1fxr s HIS 60 Cb -0.14 -0.94 -0.07 0.00 1.11 0.00 0.00 32.58 32.54 1fxr s HIS 60 CO 0.05 0.26 0.90 -1.58 -0.85 0.00 0.00 174.74 173.53 1fxr s TRP 61 N -1.58 3.49 -0.32 1.40 0.23 -1.26 -1.78 118.94 119.11 1fxr s TRP 61 Ca 0.11 1.25 -0.02 0.00 -2.03 0.00 0.00 56.10 55.41 1fxr s TRP 61 Cb -0.08 -2.63 0.12 0.00 0.03 0.00 0.00 33.47 30.91 1fxr s TRP 61 CO 0.05 -0.31 0.17 -2.00 0.96 0.00 0.00 176.95 175.83 1fxr s GLU 62 N -4.17 0.41 -0.20 4.98 2.12 0.18 -4.85 118.70 117.17 1fxr s GLU 62 Ca 0.55 -0.97 -0.03 0.00 0.36 0.00 0.00 54.97 54.87 1fxr s GLU 62 Cb -0.10 -1.28 -0.21 0.00 0.26 0.00 0.00 34.13 32.80 1fxr s GLU 62 CO 0.35 -1.12 0.04 -0.25 -0.54 0.00 0.00 175.26 173.74 1fxr n ASP 63 N 4.60 2.04 0.00 -1.70 8.00 -1.26 -3.58 116.55 124.65 1fxr n ASP 63 Ca 0.03 0.05 0.09 0.00 0.71 0.00 0.00 54.79 55.68 1fxr n ASP 63 Cb 0.39 -0.65 0.54 0.00 -0.02 0.00 0.00 41.12 41.39 1fxr n ASP 63 CO 0.00 0.00 0.00 -1.84 -0.39 0.00 0.00 177.20 174.97