#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fex s ARG 2 N 0.00 1.73 0.00 1.61 1.70 -1.26 -4.82 118.95 117.91 1fex s ARG 2 Ca 0.00 -1.06 0.00 0.00 -0.47 0.00 0.00 55.73 54.20 1fex s ARG 2 Cb 0.00 0.57 0.00 0.00 -0.57 0.00 0.00 34.95 34.95 1fex s ARG 2 CO 0.00 -0.78 0.00 0.44 -1.08 0.00 0.00 175.30 173.88 1fex n ILE 3 N -0.44 0.00 -2.34 4.99 -5.35 -1.26 -5.16 119.36 109.80 1fex n ILE 3 Ca -0.03 0.00 -0.26 0.00 -0.27 0.00 0.00 62.75 62.19 1fex n ILE 3 Cb 0.60 0.00 0.14 0.00 -1.74 0.00 0.00 39.64 38.64 1fex n ILE 3 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1fex s ALA 4 N -2.00 3.15 -0.05 -1.28 0.00 -1.26 -5.10 121.76 115.22 1fex s ALA 4 Ca 0.00 -1.54 0.03 0.00 0.00 0.00 0.00 51.96 50.45 1fex s ALA 4 Cb 0.00 -2.29 0.00 0.00 0.00 0.00 0.00 23.12 20.83 1fex s ALA 4 CO 0.00 -1.84 -0.15 -0.06 0.00 0.00 0.00 175.76 173.71 1fex s PHE 5 N -3.43 1.54 0.00 0.00 0.40 -1.26 -5.10 117.98 110.13 1fex s PHE 5 Ca 0.69 -0.48 0.00 0.00 -0.60 0.00 0.00 56.93 56.54 1fex s PHE 5 Cb -0.05 -1.07 0.00 0.00 0.51 0.00 0.00 43.02 42.41 1fex s PHE 5 CO 0.48 -0.20 0.00 -2.37 0.70 0.00 0.00 175.22 173.83 1fex n THR 6 N 3.38 0.00 0.01 0.64 5.66 -1.26 -4.95 114.28 117.77 1fex n THR 6 Ca -0.20 0.00 -0.18 0.00 -3.05 0.00 0.00 64.05 60.63 1fex n THR 6 Cb 0.53 -0.61 -0.08 0.00 -1.55 0.00 0.00 70.33 68.62 1fex n THR 6 CO 0.00 0.00 0.00 0.44 -3.05 0.00 0.00 175.07 172.46 1fex h ASP 7 N 0.00 0.89 0.44 1.09 3.32 -2.01 -2.97 116.42 117.18 1fex h ASP 7 Ca 0.00 -0.64 -0.02 0.00 0.02 0.00 0.00 57.03 56.39 1fex h ASP 7 Cb 0.00 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.29 1fex h ASP 7 CO 0.00 1.44 -0.21 0.00 -1.72 0.00 0.00 179.24 178.74 1fex h ALA 8 N 0.53 -0.60 -0.59 3.45 0.00 -2.01 -2.83 119.26 117.21 1fex h ALA 8 Ca -0.08 -0.17 0.10 0.00 0.00 0.00 0.00 54.91 54.76 1fex h ALA 8 Cb 1.53 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 19.51 1fex h ALA 8 CO 0.18 -0.76 0.40 -0.44 0.00 0.00 0.00 179.25 178.62 1fex h ASP 9 N -0.74 0.36 -0.43 0.00 3.32 -1.95 -1.74 116.42 115.24 1fex h ASP 9 Ca -0.06 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 1fex h ASP 9 Cb 0.53 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.99 1fex h ASP 9 CO 0.10 0.22 0.24 0.44 -1.72 0.00 0.00 179.24 178.52 1fex h ASP 10 N 0.40 0.53 -0.67 6.45 3.32 -1.34 -1.45 116.42 123.68 1fex h ASP 10 Ca 0.27 -0.08 -0.07 0.00 0.02 0.00 0.00 57.03 57.17 1fex h ASP 10 Cb 0.54 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.93 1fex h ASP 10 CO -0.07 0.46 0.17 0.58 -1.72 0.00 0.00 179.24 178.66 1fex h VAL 11 N 0.56 1.26 -0.78 -1.35 2.07 -1.10 -1.45 116.25 115.46 1fex h VAL 11 Ca 0.15 -0.95 -0.05 0.00 0.82 0.00 0.00 66.70 66.67 1fex h VAL 11 Cb 0.04 0.55 -0.03 0.00 -1.52 0.00 0.00 31.29 30.33 1fex h VAL 11 CO -0.03 0.36 0.28 0.00 0.02 0.00 0.00 177.57 178.21 1fex h ALA 12 N 1.14 1.01 -0.02 1.67 0.00 -1.11 0.12 119.26 122.07 1fex h ALA 12 Ca 0.22 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 1fex h ALA 12 Cb 0.36 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1fex h ALA 12 CO 0.00 0.66 -0.55 0.82 0.00 0.00 0.00 179.25 180.18 1fex h ILE 13 N 1.14 1.39 0.10 0.00 2.04 -0.98 -2.13 117.51 119.07 1fex h ILE 13 Ca 0.26 -1.88 -0.00 0.00 1.00 0.00 0.00 64.86 64.23 1fex h ILE 13 Cb 0.25 1.99 0.00 0.00 -0.74 0.00 0.00 36.82 38.32 1fex h ILE 13 CO -0.02 0.54 -0.05 0.25 0.00 0.00 0.00 178.15 178.88 1fex h LEU 14 N 0.05 -0.11 -0.35 1.44 5.85 -0.80 -3.02 115.31 118.38 1fex h LEU 14 Ca -0.00 0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.80 1fex h LEU 14 Cb 0.99 0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.97 1fex h LEU 14 CO 0.08 0.34 -0.15 0.74 -0.34 0.00 0.00 178.44 179.11 1fex h THR 15 N -0.97 0.52 -0.36 1.05 2.02 -0.87 0.17 112.91 114.46 1fex h THR 15 Ca -0.01 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.23 1fex h THR 15 Cb 0.10 0.52 -0.06 0.00 -1.74 0.00 0.00 68.15 66.97 1fex h THR 15 CO 0.02 0.00 -0.02 0.22 0.37 0.00 0.00 175.52 176.11 1fex h TYR 16 N -0.09 -0.06 -0.34 3.16 5.03 -1.54 -0.82 116.97 122.32 1fex h TYR 16 Ca 0.18 0.03 -0.02 0.00 2.58 0.00 0.00 58.73 61.49 1fex h TYR 16 Cb 0.36 0.08 -0.01 0.00 1.55 0.00 0.00 36.73 38.71 1fex h TYR 16 CO -0.37 -0.09 0.12 0.28 -1.32 0.00 0.00 178.16 176.78 1fex h VAL 17 N 0.07 1.19 0.00 1.81 2.07 -1.25 -2.06 116.25 118.09 1fex h VAL 17 Ca 0.17 -0.61 -0.00 0.00 0.82 0.00 0.00 66.70 67.08 1fex h VAL 17 Cb 0.25 0.97 -0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1fex h VAL 17 CO -0.31 0.21 -0.00 0.50 0.02 0.00 0.00 177.57 177.99 1fex h LYS 18 N 0.39 0.00 0.00 1.57 1.63 -0.03 0.27 116.57 120.40 1fex h LYS 18 Ca 0.11 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.90 1fex h LYS 18 Cb 0.21 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.84 1fex h LYS 18 CO -0.01 0.00 -0.14 0.93 -3.45 0.00 0.00 179.45 176.79 1fex h GLU 19 N 0.00 0.00 0.00 1.90 3.07 -0.47 -3.43 114.58 115.66 1fex h GLU 19 Ca -0.00 0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 58.78 1fex h GLU 19 Cb 0.02 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.92 1fex h GLU 19 CO 0.00 0.20 -0.72 -0.91 -1.40 0.00 0.00 179.01 176.19 1fex h ASN 20 N -1.00 0.00 -1.97 1.42 2.35 -1.36 -3.46 115.58 111.56 1fex h ASN 20 Ca -0.02 -0.20 -0.63 0.00 -0.55 0.00 0.00 56.30 54.90 1fex h ASN 20 Cb 0.30 0.00 0.05 0.00 0.05 0.00 0.00 38.32 38.72 1fex h ASN 20 CO -0.01 1.00 0.68 0.00 -1.65 0.00 0.00 177.43 177.44 1fex n ALA 21 N -3.48 0.26 0.00 -0.83 0.00 0.93 -4.72 120.51 112.67 1fex n ALA 21 Ca -0.15 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.75 1fex n ALA 21 Cb 0.39 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.61 1fex n ALA 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1fex n ARG 22 N 3.35 0.00 -2.46 0.00 1.74 -1.26 -4.52 116.66 113.51 1fex n ARG 22 Ca 0.18 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 57.03 1fex n ARG 22 Cb 0.24 -0.03 0.05 0.00 -1.02 0.00 0.00 32.46 31.69 1fex n ARG 22 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1fex s SER 23 N -1.93 5.09 -1.46 0.55 1.04 -1.26 -4.95 113.70 110.79 1fex s SER 23 Ca 0.00 0.20 -0.10 0.00 0.48 0.00 0.00 55.95 56.53 1fex s SER 23 Cb 0.00 -0.99 -0.07 0.00 0.10 0.00 0.00 66.02 65.06 1fex s SER 23 CO 0.00 -1.33 2.70 -0.81 0.98 0.00 0.00 173.24 174.78 1fex n PRO 24 N -2.58 3.25 0.00 4.02 -0.04 -1.26 -3.64 135.00 134.75 1fex n PRO 24 Ca 0.08 -2.10 0.00 0.00 -0.04 0.00 0.00 63.50 61.44 1fex n PRO 24 Cb 0.60 -2.80 0.00 0.00 -0.04 0.00 0.00 33.50 31.26 1fex n PRO 24 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1fex n SER 25 N 4.10 0.00 0.23 3.54 3.41 -1.26 -4.83 113.62 118.81 1fex n SER 25 Ca 0.69 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 59.38 1fex n SER 25 Cb 0.24 0.24 0.55 0.00 -0.26 0.00 0.00 64.21 64.97 1fex n SER 25 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1fex h SER 26 N 0.00 0.00 1.21 4.04 4.64 -1.87 0.92 113.55 122.50 1fex h SER 26 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1fex h SER 26 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1fex h SER 26 CO 0.00 0.22 -0.80 -0.37 -0.87 0.00 0.00 176.83 175.01 1fex h VAL 27 N 0.00 0.09 0.00 0.95 -1.51 -1.91 -3.38 116.25 110.48 1fex h VAL 27 Ca -0.00 -1.15 -0.32 0.00 -1.23 0.00 0.00 66.70 64.00 1fex h VAL 27 Cb 0.48 1.70 -0.05 0.00 -2.13 0.00 0.00 31.29 31.28 1fex h VAL 27 CO 0.03 0.05 -2.16 0.35 -1.23 0.00 0.00 177.57 174.61 1fex n THR 28 N -2.82 1.16 -1.28 7.19 -2.24 -0.99 -4.99 114.28 110.31 1fex n THR 28 Ca 0.00 -0.39 -0.30 0.00 -2.27 0.00 0.00 64.05 61.09 1fex n THR 28 Cb 0.58 -1.40 0.13 0.00 -2.10 0.00 0.00 70.33 67.55 1fex n THR 28 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1fex s GLY 29 N -5.76 1.61 -0.48 3.38 0.00 0.32 -4.94 107.32 101.45 1fex s GLY 29 Ca -0.28 -0.16 0.02 0.00 0.00 0.00 0.00 44.72 44.30 1fex s GLY 29 CO 0.43 0.34 1.90 0.70 0.00 0.00 0.00 173.10 176.48 1fex n ASN 30 N -3.84 5.03 -0.07 1.64 3.02 -1.26 -4.53 115.26 115.25 1fex n ASN 30 Ca 0.07 -3.52 -0.05 0.00 -0.03 0.00 0.00 54.58 51.04 1fex n ASN 30 Cb 0.56 -0.87 -0.02 0.00 -0.61 0.00 0.00 39.78 38.84 1fex n ASN 30 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1fex h ALA 31 N 1.38 0.01 -0.72 5.41 0.00 -1.87 -3.02 119.26 120.46 1fex h ALA 31 Ca 0.57 -0.52 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1fex h ALA 31 Cb 2.03 0.50 -0.04 0.00 0.00 0.00 0.00 17.79 20.28 1fex h ALA 31 CO 1.16 0.50 0.47 1.25 0.00 0.00 0.00 179.25 182.63 1fex h LEU 32 N -1.00 0.77 0.08 0.00 5.85 -1.80 -1.17 115.31 118.04 1fex h LEU 32 Ca -0.02 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 1fex h LEU 32 Cb 0.53 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.38 1fex h LEU 32 CO -0.01 0.54 -0.04 -0.50 -0.34 0.00 0.00 178.44 178.09 1fex h TRP 33 N 0.89 -0.09 -0.94 1.25 4.06 -1.80 -2.91 115.95 116.41 1fex h TRP 33 Ca 0.28 -0.00 0.14 0.00 2.06 0.00 0.00 58.89 61.37 1fex h TRP 33 Cb 0.01 0.03 -0.08 0.00 -1.00 0.00 0.00 29.16 28.13 1fex h TRP 33 CO -0.00 0.39 0.60 0.87 -3.56 0.00 0.00 178.44 176.74 1fex h LYS 34 N -0.64 0.77 -0.37 0.49 1.79 -1.36 0.19 116.57 117.44 1fex h LYS 34 Ca -0.01 -0.05 -0.02 0.00 -2.18 0.00 0.00 60.65 58.39 1fex h LYS 34 Cb 0.53 -0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 30.99 1fex h LYS 34 CO 0.02 0.51 0.13 0.00 -1.08 0.00 0.00 179.45 179.02 1fex h ALA 35 N 1.59 1.54 -0.10 3.86 0.00 -1.18 -2.62 119.26 122.34 1fex h ALA 35 Ca 0.48 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 55.20 1fex h ALA 35 Cb 0.68 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1fex h ALA 35 CO -0.25 0.36 -0.24 1.98 0.00 0.00 0.00 179.25 181.10 1fex h MET 36 N 0.52 0.34 -0.44 0.00 1.85 -0.45 -2.43 114.93 114.32 1fex h MET 36 Ca 0.13 -0.23 0.13 0.00 -0.61 0.00 0.00 59.70 59.11 1fex h MET 36 Cb 0.14 0.03 -0.02 0.00 0.43 0.00 0.00 31.60 32.18 1fex h MET 36 CO -0.01 0.84 0.39 1.49 -0.40 0.00 0.00 176.91 179.22 1fex h GLU 37 N -0.10 0.00 0.14 0.39 4.22 -0.95 1.07 114.58 119.34 1fex h GLU 37 Ca -0.00 0.00 -0.32 0.00 0.08 0.00 0.00 59.36 59.12 1fex h GLU 37 Cb 0.85 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.09 1fex h GLU 37 CO 0.05 0.00 -1.58 0.87 -2.18 0.00 0.00 179.01 176.18 1fex h LYS 38 N 0.00 0.30 -1.67 1.92 1.57 -1.38 -3.41 116.57 113.89 1fex h LYS 38 Ca 0.21 -0.51 -0.49 0.00 -1.87 0.00 0.00 60.65 57.99 1fex h LYS 38 Cb 0.98 0.19 -0.35 0.00 0.08 0.00 0.00 32.23 33.13 1fex h LYS 38 CO -0.00 1.18 -1.03 0.45 -0.57 0.00 0.00 179.45 179.48 1fex n SER 39 N -3.50 -0.17 -4.93 0.86 2.88 -0.17 -5.13 113.62 103.47 1fex n SER 39 Ca -0.18 -2.87 -0.25 0.00 -1.33 0.00 0.00 58.87 54.23 1fex n SER 39 Cb 1.05 -0.23 -0.00 0.00 -0.75 0.00 0.00 64.21 64.28 1fex n SER 39 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1fex s SER 40 N -1.51 6.24 0.33 -3.46 1.04 0.35 -4.71 113.70 111.99 1fex s SER 40 Ca 0.35 0.67 0.13 0.00 0.48 0.00 0.00 55.95 57.58 1fex s SER 40 Cb 0.22 -2.10 0.57 0.00 0.10 0.00 0.00 66.02 64.81 1fex s SER 40 CO -0.12 -0.47 1.72 0.25 0.98 0.00 0.00 173.24 175.60 1fex h LEU 41 N 0.47 0.00 0.00 2.42 6.46 -1.95 -3.45 115.31 119.25 1fex h LEU 41 Ca -0.48 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.28 1fex h LEU 41 Cb 1.22 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.15 1fex h LEU 41 CO 0.61 0.48 0.00 0.35 -0.62 0.00 0.00 178.44 179.26 1fex n THR 42 N -3.85 0.00 -3.82 1.05 -2.24 -1.26 -5.08 114.28 99.08 1fex n THR 42 Ca -0.01 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.46 1fex n THR 42 Cb 0.51 -0.26 -0.10 0.00 -2.10 0.00 0.00 70.33 68.38 1fex n THR 42 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1fex s GLN 43 N 2.08 2.69 0.34 -0.78 -1.52 -1.26 -5.05 119.66 116.16 1fex s GLN 43 Ca 0.00 -3.30 0.04 0.00 -1.95 0.00 0.00 55.36 50.16 1fex s GLN 43 Cb 0.00 -3.59 -0.02 0.00 -0.22 0.00 0.00 33.01 29.18 1fex s GLN 43 CO 0.00 -1.27 0.34 -1.01 -0.25 0.00 0.00 175.29 173.10 1fex s HIS 44 N -1.37 1.54 0.00 0.91 3.76 -1.26 -5.03 115.29 113.85 1fex s HIS 44 Ca 0.25 -1.55 0.00 0.00 -0.15 0.00 0.00 55.06 53.61 1fex s HIS 44 Cb -0.06 -0.51 0.00 0.00 1.11 0.00 0.00 32.58 33.12 1fex s HIS 44 CO -0.15 -0.96 0.00 -1.13 -0.85 0.00 0.00 174.74 171.65 1fex n SER 45 N -1.53 0.61 -0.07 1.40 3.41 -1.26 -4.60 113.62 111.57 1fex n SER 45 Ca 0.05 -0.83 -0.13 0.00 -0.26 0.00 0.00 58.87 57.71 1fex n SER 45 Cb 0.62 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.43 1fex n SER 45 CO 0.00 0.00 0.00 -2.67 -0.16 0.00 0.00 175.04 172.21 1fex n TRP 46 N -0.57 0.41 0.11 7.33 4.27 -1.26 -3.89 117.44 123.82 1fex n TRP 46 Ca 0.00 0.12 -0.05 0.00 -3.89 0.00 0.00 57.50 53.68 1fex n TRP 46 Cb 0.00 -1.07 -0.03 0.00 -1.36 0.00 0.00 31.31 28.86 1fex n TRP 46 CO 0.00 0.00 0.00 1.96 -2.29 0.00 0.00 177.69 177.36 1fex h GLN 47 N 0.01 -0.30 -0.41 -2.67 4.20 -1.97 0.20 115.11 114.18 1fex h GLN 47 Ca -0.48 0.02 0.12 0.00 0.06 0.00 0.00 58.65 58.37 1fex h GLN 47 Cb 2.08 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 29.91 1fex h GLN 47 CO 0.02 -0.20 0.35 1.03 -0.67 0.00 0.00 178.83 179.36 1fex h SER 48 N -0.31 0.00 0.56 1.46 0.87 -1.95 0.37 113.55 114.56 1fex h SER 48 Ca -0.03 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.51 1fex h SER 48 Cb 0.25 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.22 1fex h SER 48 CO 0.01 0.00 -0.27 0.25 -0.53 0.00 0.00 176.83 176.29 1fex h LEU 49 N 0.00 -0.64 -0.79 2.23 7.12 -1.50 -2.12 115.31 119.61 1fex h LEU 49 Ca 0.19 -0.04 -0.02 0.00 0.13 0.00 0.00 57.88 58.14 1fex h LEU 49 Cb 0.89 0.17 -0.04 0.00 -0.53 0.00 0.00 40.66 41.15 1fex h LEU 49 CO -0.00 -0.29 0.43 0.50 -0.13 0.00 0.00 178.44 178.94 1fex h LYS 50 N -1.03 1.11 -0.50 1.25 3.11 0.28 -2.76 116.57 118.04 1fex h LYS 50 Ca -0.08 -0.14 0.07 0.00 -2.81 0.00 0.00 60.65 57.69 1fex h LYS 50 Cb 0.65 -0.21 -0.06 0.00 -1.00 0.00 0.00 32.23 31.60 1fex h LYS 50 CO 0.13 0.83 0.18 0.22 -2.81 0.00 0.00 179.45 178.00 1fex h ASP 51 N 1.10 0.19 -0.59 4.20 3.58 -0.94 -2.44 116.42 121.53 1fex h ASP 51 Ca 0.28 0.06 -0.08 0.00 0.42 0.00 0.00 57.03 57.71 1fex h ASP 51 Cb 0.05 0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.11 1fex h ASP 51 CO -0.04 0.13 0.07 -0.09 -2.88 0.00 0.00 179.24 176.43 1fex h ARG 52 N 0.36 1.00 -0.65 0.28 1.12 -1.15 0.14 114.38 115.47 1fex h ARG 52 Ca 0.24 -0.28 0.09 0.00 -1.11 0.00 0.00 59.98 58.91 1fex h ARG 52 Cb 0.25 -0.11 -0.04 0.00 -0.01 0.00 0.00 29.97 30.06 1fex h ARG 52 CO -0.24 0.96 0.43 -0.92 -3.11 0.00 0.00 179.97 177.08 1fex h TYR 53 N 0.89 0.56 0.00 2.20 3.20 -1.17 -1.21 116.97 121.44 1fex h TYR 53 Ca 0.18 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.96 1fex h TYR 53 Cb 0.46 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.53 1fex h TYR 53 CO 0.03 0.27 -1.28 1.28 -1.64 0.00 0.00 178.16 176.82 1fex n LEU 54 N -4.48 0.82 -0.11 2.82 4.77 -1.04 -0.02 117.00 119.76 1fex n LEU 54 Ca 0.10 0.34 -0.06 0.00 -0.03 0.00 0.00 56.01 56.36 1fex n LEU 54 Cb 0.33 0.02 0.02 0.00 -2.33 0.00 0.00 43.42 41.46 1fex n LEU 54 CO 0.34 0.01 0.94 0.11 -1.33 0.00 0.00 177.39 177.46 1fex h LYS 55 N 0.00 0.27 0.00 3.23 1.57 0.53 -3.41 116.57 118.76 1fex h LYS 55 Ca -0.10 -0.02 -0.13 0.00 -1.87 0.00 0.00 60.65 58.53 1fex h LYS 55 Cb 1.34 -0.06 -0.11 0.00 0.08 0.00 0.00 32.23 33.48 1fex h LYS 55 CO 0.03 0.18 -0.02 -2.39 -0.57 0.00 0.00 179.45 176.68 1fex n HIS 56 N -5.01 -1.12 0.00 -1.35 1.44 -1.12 -5.06 115.22 103.00 1fex n HIS 56 Ca 0.01 -1.14 0.00 0.00 -2.01 0.00 0.00 57.72 54.58 1fex n HIS 56 Cb 0.13 1.33 0.00 0.00 0.12 0.00 0.00 29.99 31.56 1fex n HIS 56 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1fex n LEU 57 N -0.27 0.00 0.00 2.39 4.77 -1.05 -5.03 117.00 117.81 1fex n LEU 57 Ca -0.15 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 1fex n LEU 57 Cb 0.72 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.81 1fex n LEU 57 CO -0.09 -0.38 0.00 0.54 -1.33 0.00 0.00 177.39 176.13 1fex n ARG 58 N -2.14 0.00 0.00 3.23 1.74 0.97 -5.03 116.66 115.43 1fex n ARG 58 Ca 0.00 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.20 1fex n ARG 58 Cb 0.00 0.00 0.19 0.00 -1.02 0.00 0.00 32.46 31.63 1fex n ARG 58 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52