#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fex n ARG 2 N 0.00 -2.33 -1.14 1.61 5.12 -1.26 -4.57 116.66 114.09 1fex n ARG 2 Ca 0.00 2.01 -0.42 0.00 -1.93 0.00 0.00 57.85 57.50 1fex n ARG 2 Cb 0.00 -4.11 -0.05 0.00 -1.16 0.00 0.00 32.46 27.13 1fex n ARG 2 CO 0.00 0.00 0.00 1.51 -1.93 0.00 0.00 177.63 177.21 1fex n ILE 3 N 0.39 1.87 -3.80 0.55 0.13 -1.26 -4.76 119.36 112.48 1fex n ILE 3 Ca 0.02 -1.60 -0.04 0.00 -1.10 0.00 0.00 62.75 60.03 1fex n ILE 3 Cb 0.33 -2.32 -0.00 0.00 -0.84 0.00 0.00 39.64 36.82 1fex n ILE 3 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1fex s ALA 4 N 4.90 -1.53 -0.42 1.51 0.00 -1.26 -5.12 121.76 119.83 1fex s ALA 4 Ca 0.56 -0.10 0.02 0.00 0.00 0.00 0.00 51.96 52.44 1fex s ALA 4 Cb 0.14 0.69 0.14 0.00 0.00 0.00 0.00 23.12 24.09 1fex s ALA 4 CO 0.11 -1.05 0.26 -0.06 0.00 0.00 0.00 175.76 175.02 1fex s PHE 5 N -2.95 1.48 0.22 0.00 0.08 -1.26 -5.02 117.98 110.53 1fex s PHE 5 Ca 0.15 -2.18 -0.04 0.00 0.12 0.00 0.00 56.93 54.99 1fex s PHE 5 Cb -0.02 -1.43 0.06 0.00 -0.57 0.00 0.00 43.02 41.05 1fex s PHE 5 CO 0.04 -0.79 0.19 -2.37 -0.10 0.00 0.00 175.22 172.19 1fex n THR 6 N 3.51 0.00 -0.14 0.64 5.66 -1.26 -4.57 114.28 118.13 1fex n THR 6 Ca 0.14 -0.08 0.00 0.00 -3.05 0.00 0.00 64.05 61.06 1fex n THR 6 Cb 0.38 -0.99 0.26 0.00 -1.55 0.00 0.00 70.33 68.43 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 -1.37 0.74 0.57 1.09 5.19 -2.00 -1.39 116.42 119.26 1fex h ASP 7 Ca -0.07 -0.06 -0.03 0.00 -0.62 0.00 0.00 57.03 56.25 1fex h ASP 7 Cb 0.23 -0.19 0.01 0.00 0.18 0.00 0.00 39.33 39.55 1fex h ASP 7 CO 0.05 0.61 -0.28 0.00 -3.12 0.00 0.00 179.24 176.50 1fex h ALA 8 N 1.51 -0.88 -0.20 3.45 0.00 -2.01 -2.25 119.26 118.89 1fex h ALA 8 Ca 0.21 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 55.01 1fex h ALA 8 Cb 0.04 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1fex h ALA 8 CO -0.03 -0.82 0.20 -0.44 0.00 0.00 0.00 179.25 178.16 1fex h ASP 9 N -1.05 0.00 -0.11 0.00 5.19 -1.88 -2.01 116.42 116.56 1fex h ASP 9 Ca -0.08 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.25 1fex h ASP 9 Cb 0.59 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.10 1fex h ASP 9 CO 0.13 0.00 -0.26 0.44 -3.12 0.00 0.00 179.24 176.43 1fex h ASP 10 N 0.00 0.42 -0.64 6.45 3.32 -1.16 -3.02 116.42 121.78 1fex h ASP 10 Ca 0.10 -0.58 0.02 0.00 0.02 0.00 0.00 57.03 56.58 1fex h ASP 10 Cb 0.50 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.89 1fex h ASP 10 CO -0.00 0.92 0.43 0.58 -1.72 0.00 0.00 179.24 179.45 1fex h VAL 11 N -0.07 1.14 -0.68 -1.35 2.07 -0.74 0.40 116.25 117.03 1fex h VAL 11 Ca -0.00 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 1fex h VAL 11 Cb 0.87 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 1fex h VAL 11 CO 0.06 0.15 0.34 0.00 0.02 0.00 0.00 177.57 178.14 1fex h ALA 12 N 1.61 0.87 -0.14 1.67 0.00 -1.48 -1.76 119.26 120.03 1fex h ALA 12 Ca 0.24 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 1fex h ALA 12 Cb -0.04 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.48 1fex h ALA 12 CO -0.06 0.42 -0.36 0.82 0.00 0.00 0.00 179.25 180.08 1fex h ILE 13 N 0.94 1.36 -0.02 0.00 2.04 -1.23 -2.66 117.51 117.94 1fex h ILE 13 Ca 0.23 -1.64 0.03 0.00 1.00 0.00 0.00 64.86 64.49 1fex h ILE 13 Cb 0.10 2.05 -0.06 0.00 -0.74 0.00 0.00 36.82 38.18 1fex h ILE 13 CO -0.03 0.49 -0.37 0.25 0.00 0.00 0.00 178.15 178.49 1fex h LEU 14 N 0.09 -1.11 -0.27 1.44 5.85 -0.74 0.44 115.31 121.01 1fex h LEU 14 Ca -0.01 0.14 0.02 0.00 0.84 0.00 0.00 57.88 58.88 1fex h LEU 14 Cb 0.97 0.45 -0.03 0.00 0.37 0.00 0.00 40.66 42.42 1fex h LEU 14 CO 0.08 -0.42 0.12 0.74 -0.34 0.00 0.00 178.44 178.62 1fex h THR 15 N -0.51 0.96 -0.54 1.05 2.02 -1.40 -0.23 112.91 114.26 1fex h THR 15 Ca 0.06 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.16 1fex h THR 15 Cb 0.60 0.68 -0.03 0.00 -1.74 0.00 0.00 68.15 67.67 1fex h THR 15 CO -0.31 0.05 0.34 0.22 0.37 0.00 0.00 175.52 176.20 1fex h TYR 16 N 0.25 0.70 0.77 3.16 5.03 -1.06 0.01 116.97 125.83 1fex h TYR 16 Ca 0.12 0.01 -0.04 0.00 2.58 0.00 0.00 58.73 61.40 1fex h TYR 16 Cb 0.06 -0.23 0.01 0.00 1.55 0.00 0.00 36.73 38.12 1fex h TYR 16 CO -0.11 0.46 -0.37 0.28 -1.32 0.00 0.00 178.16 177.09 1fex h VAL 17 N 0.73 0.00 0.00 1.81 2.07 0.23 -2.35 116.25 118.73 1fex h VAL 17 Ca 0.20 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.53 1fex h VAL 17 Cb -0.05 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.72 1fex h VAL 17 CO -0.04 0.00 0.06 0.50 0.02 0.00 0.00 177.57 178.11 1fex h LYS 18 N -1.23 0.00 0.09 1.57 1.63 -1.04 0.16 116.57 117.76 1fex h LYS 18 Ca -0.11 0.00 -0.27 0.00 -0.85 0.00 0.00 60.65 59.43 1fex h LYS 18 Cb 0.80 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.42 1fex h LYS 18 CO 0.17 0.00 -1.28 0.93 -3.45 0.00 0.00 179.45 175.82 1fex h GLU 19 N 0.00 0.19 0.00 1.90 4.39 -0.72 -3.41 114.58 116.93 1fex h GLU 19 Ca 0.00 -0.32 -0.14 0.00 0.34 0.00 0.00 59.36 59.24 1fex h GLU 19 Cb 0.12 0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.86 1fex h GLU 19 CO 0.00 1.10 -1.26 0.09 -1.16 0.00 0.00 179.01 177.79 1fex n ASN 20 N -3.44 1.34 0.00 1.42 3.02 -0.72 -4.91 115.26 111.97 1fex n ASN 20 Ca -0.09 0.22 0.00 0.00 -0.03 0.00 0.00 54.58 54.68 1fex n ASN 20 Cb 1.01 -0.52 0.00 0.00 -0.61 0.00 0.00 39.78 39.66 1fex n ASN 20 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1fex n ALA 21 N -3.87 0.00 -1.94 5.41 0.00 0.50 -4.72 120.51 115.89 1fex n ALA 21 Ca -0.20 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.13 1fex n ALA 21 Cb 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.94 1fex n ALA 21 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1fex n ARG 22 N 0.00 -1.84 -3.51 0.00 3.00 -1.26 -4.84 116.66 108.21 1fex n ARG 22 Ca 0.00 0.57 -0.11 0.00 -0.00 0.00 0.00 57.85 58.31 1fex n ARG 22 Cb 0.00 -4.99 -0.03 0.00 0.00 0.00 0.00 32.46 27.44 1fex n ARG 22 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1fex s SER 23 N -1.98 -0.46 -1.32 6.15 1.04 -1.26 -5.05 113.70 110.82 1fex s SER 23 Ca 0.00 0.23 -0.12 0.00 0.48 0.00 0.00 55.95 56.54 1fex s SER 23 Cb 0.00 0.44 -0.05 0.00 0.10 0.00 0.00 66.02 66.51 1fex s SER 23 CO 0.00 -0.62 2.42 -0.81 0.98 0.00 0.00 173.24 175.21 1fex n PRO 24 N 0.18 2.81 0.05 4.02 -0.04 -1.26 -3.72 135.00 137.04 1fex n PRO 24 Ca -0.13 -2.16 0.00 0.00 -0.04 0.00 0.00 63.50 61.18 1fex n PRO 24 Cb 0.61 -2.92 0.00 0.00 -0.04 0.00 0.00 33.50 31.14 1fex n PRO 24 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1fex n SER 25 N 5.12 -0.67 -0.02 3.54 7.64 -1.26 -4.83 113.62 123.14 1fex n SER 25 Ca 0.60 0.17 -0.16 0.00 1.01 0.00 0.00 58.87 60.48 1fex n SER 25 Cb 0.29 0.91 -0.09 0.00 -1.01 0.00 0.00 64.21 64.32 1fex n SER 25 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1fex h SER 26 N 0.00 0.64 0.61 6.43 0.02 -1.89 0.57 113.55 119.93 1fex h SER 26 Ca 0.00 -0.66 -0.08 0.00 -0.84 0.00 0.00 61.79 60.21 1fex h SER 26 Cb 0.00 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.34 1fex h SER 26 CO 0.00 1.20 -0.40 -0.37 -1.14 0.00 0.00 176.83 176.12 1fex h VAL 27 N 0.12 1.08 0.00 2.27 -1.51 -1.93 -3.08 116.25 113.20 1fex h VAL 27 Ca -0.04 -1.47 -0.15 0.00 -1.23 0.00 0.00 66.70 63.80 1fex h VAL 27 Cb 1.21 1.84 -0.03 0.00 -2.13 0.00 0.00 31.29 32.18 1fex h VAL 27 CO 0.11 0.39 -1.70 1.07 -1.23 0.00 0.00 177.57 176.21 1fex n THR 28 N -3.76 0.89 -0.43 7.19 5.66 -1.21 -4.93 114.28 117.69 1fex n THR 28 Ca -0.01 -0.66 0.00 0.00 -3.05 0.00 0.00 64.05 60.32 1fex n THR 28 Cb 0.47 -0.47 0.00 0.00 -1.55 0.00 0.00 70.33 68.79 1fex n THR 28 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1fex n GLY 29 N 1.41 0.37 0.61 1.09 0.00 0.20 -5.02 105.19 103.86 1fex n GLY 29 Ca -0.12 -1.69 0.02 0.00 0.00 0.00 0.00 46.02 44.23 1fex n GLY 29 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1fex n ASN 30 N 0.00 0.44 -0.08 1.61 5.03 -1.26 -4.88 115.26 116.11 1fex n ASN 30 Ca 0.00 -2.16 -0.11 0.00 0.87 0.00 0.00 54.58 53.18 1fex n ASN 30 Cb 0.00 -0.25 -0.05 0.00 -1.02 0.00 0.00 39.78 38.47 1fex n ASN 30 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1fex n ALA 31 N -0.10 0.60 0.07 5.41 0.00 -1.26 -2.68 120.51 122.55 1fex n ALA 31 Ca 0.03 -0.50 0.19 0.00 0.00 0.00 0.00 53.44 53.17 1fex n ALA 31 Cb 0.76 -0.14 0.73 0.00 0.00 0.00 0.00 19.45 20.81 1fex n ALA 31 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1fex h LEU 32 N -1.00 0.00 0.07 0.00 5.85 -1.91 0.32 115.31 118.64 1fex h LEU 32 Ca -0.13 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.47 1fex h LEU 32 Cb 0.81 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.84 1fex h LEU 32 CO -0.08 0.00 -0.57 -0.50 -0.34 0.00 0.00 178.44 176.95 1fex h TRP 33 N 0.00 0.26 -0.46 1.25 4.06 -1.83 -2.63 115.95 116.60 1fex h TRP 33 Ca 0.20 -0.19 0.01 0.00 2.06 0.00 0.00 58.89 60.97 1fex h TRP 33 Cb 0.89 -0.01 -0.02 0.00 -1.00 0.00 0.00 29.16 29.02 1fex h TRP 33 CO 0.00 1.22 0.30 0.87 -3.56 0.00 0.00 178.44 177.27 1fex h LYS 34 N -0.68 0.59 -0.45 0.49 1.57 -1.04 -2.33 116.57 114.71 1fex h LYS 34 Ca -0.12 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.59 1fex h LYS 34 Cb 1.35 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.51 1fex h LYS 34 CO 0.05 0.39 0.14 0.00 -0.57 0.00 0.00 179.45 179.46 1fex h ALA 35 N 1.18 0.59 -0.65 3.86 0.00 -0.53 -2.54 119.26 121.16 1fex h ALA 35 Ca 0.17 -0.17 0.11 0.00 0.00 0.00 0.00 54.91 55.01 1fex h ALA 35 Cb -0.05 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 1fex h ALA 35 CO -0.05 0.24 0.44 1.98 0.00 0.00 0.00 179.25 181.85 1fex h MET 36 N 0.59 0.44 0.00 0.00 1.85 -1.12 0.34 114.93 117.02 1fex h MET 36 Ca 0.15 -0.03 -0.10 0.00 -0.61 0.00 0.00 59.70 59.11 1fex h MET 36 Cb 0.26 -0.10 -0.01 0.00 0.43 0.00 0.00 31.60 32.18 1fex h MET 36 CO -0.01 0.29 -0.48 1.49 -0.40 0.00 0.00 176.91 177.81 1fex h GLU 37 N 0.46 0.00 -0.23 0.39 4.22 -1.01 -3.03 114.58 115.37 1fex h GLU 37 Ca 0.30 0.00 -0.05 0.00 0.08 0.00 0.00 59.36 59.70 1fex h GLU 37 Cb 0.58 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 1fex h GLU 37 CO -0.09 0.48 -0.03 1.17 -2.18 0.00 0.00 179.01 178.35 1fex n LYS 38 N -3.55 2.29 0.04 1.92 4.81 0.09 -4.68 118.16 119.08 1fex n LYS 38 Ca -0.00 -2.90 0.00 0.00 -0.87 0.00 0.00 58.31 54.54 1fex n LYS 38 Cb 0.58 -1.77 0.00 0.00 0.02 0.00 0.00 35.03 33.86 1fex n LYS 38 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1fex n SER 39 N -0.87 0.36 -2.73 3.14 3.41 0.96 -5.01 113.62 112.88 1fex n SER 39 Ca 0.23 0.12 -0.04 0.00 -0.26 0.00 0.00 58.87 58.92 1fex n SER 39 Cb 0.88 -0.06 0.02 0.00 -0.26 0.00 0.00 64.21 64.79 1fex n SER 39 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1fex n SER 40 N -3.16 -2.73 -3.55 4.04 3.41 -1.15 -5.07 113.62 105.40 1fex n SER 40 Ca 0.00 -2.25 -0.12 0.00 -0.26 0.00 0.00 58.87 56.24 1fex n SER 40 Cb 0.19 1.40 -0.04 0.00 -0.26 0.00 0.00 64.21 65.50 1fex n SER 40 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 1fex s LEU 41 N 0.83 -0.07 0.00 1.04 2.96 -1.22 -4.94 118.68 117.28 1fex s LEU 41 Ca 0.28 -0.02 -0.18 0.00 -0.22 0.00 0.00 54.13 53.99 1fex s LEU 41 Cb 0.06 2.17 0.28 0.00 0.50 0.00 0.00 46.19 49.20 1fex s LEU 41 CO -0.08 -0.83 0.64 0.35 -1.32 0.00 0.00 176.35 175.11 1fex n THR 42 N 0.01 0.00 -2.30 3.68 -2.24 -1.26 -4.77 114.28 107.39 1fex n THR 42 Ca -0.17 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.25 1fex n THR 42 Cb 0.63 -0.72 -0.04 0.00 -2.10 0.00 0.00 70.33 68.10 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 -4.40 3.02 0.23 -0.78 -0.21 -1.26 -4.91 119.66 111.35 1fex s GLN 43 Ca 0.49 -0.39 -0.09 0.00 0.02 0.00 0.00 55.36 55.39 1fex s GLN 43 Cb -0.09 -4.88 -0.02 0.00 1.00 0.00 0.00 33.01 29.03 1fex s GLN 43 CO 0.41 -2.66 0.36 -1.01 -2.12 0.00 0.00 175.29 170.28 1fex s HIS 44 N 7.45 0.63 -0.07 0.91 3.76 -1.26 -4.56 115.29 122.15 1fex s HIS 44 Ca 0.55 -0.94 -0.06 0.00 -0.15 0.00 0.00 55.06 54.46 1fex s HIS 44 Cb -0.06 -0.06 -0.04 0.00 1.11 0.00 0.00 32.58 33.53 1fex s HIS 44 CO 0.03 -0.88 0.17 -1.54 -0.85 0.00 0.00 174.74 171.67 1fex s SER 45 N -3.07 6.40 0.43 1.40 1.04 -1.26 -4.91 113.70 113.73 1fex s SER 45 Ca 0.28 0.45 0.15 0.00 0.48 0.00 0.00 55.95 57.31 1fex s SER 45 Cb 0.02 -2.05 1.05 0.00 0.10 0.00 0.00 66.02 65.13 1fex s SER 45 CO 0.10 0.35 1.95 4.11 0.98 0.00 0.00 173.24 180.73 1fex h TRP 46 N 4.52 0.46 -0.82 5.02 5.08 -1.91 -1.07 115.95 127.23 1fex h TRP 46 Ca -0.53 0.01 -0.01 0.00 1.08 0.00 0.00 58.89 59.45 1fex h TRP 46 Cb 1.21 -0.15 -0.04 0.00 -3.00 0.00 0.00 29.16 27.19 1fex h TRP 46 CO 0.72 0.19 0.47 0.37 -1.28 0.00 0.00 178.44 178.91 1fex h GLN 47 N 0.41 1.13 0.32 0.12 4.15 -1.93 0.75 115.11 120.06 1fex h GLN 47 Ca 0.33 -0.12 -0.02 0.00 0.77 0.00 0.00 58.65 59.61 1fex h GLN 47 Cb 0.72 -0.23 0.00 0.00 0.21 0.00 0.00 27.48 28.18 1fex h GLN 47 CO -0.10 0.82 -0.16 1.03 -1.93 0.00 0.00 178.83 178.50 1fex h SER 48 N 1.13 -0.37 -0.18 -0.69 0.87 -1.60 0.31 113.55 113.04 1fex h SER 48 Ca 0.29 0.01 0.05 0.00 -1.23 0.00 0.00 61.79 60.91 1fex h SER 48 Cb 0.00 0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.05 1fex h SER 48 CO -0.05 -0.25 0.21 0.17 -0.53 0.00 0.00 176.83 176.38 1fex h LEU 49 N -0.46 0.00 0.11 2.23 -0.00 -1.55 -0.32 115.31 115.31 1fex h LEU 49 Ca -0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.83 1fex h LEU 49 Cb 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.00 1fex h LEU 49 CO 0.07 0.00 -0.05 0.50 -0.00 0.00 0.00 178.44 178.96 1fex h LYS 50 N 0.00 -0.14 -0.15 0.17 3.11 -0.61 -2.93 116.57 116.03 1fex h LYS 50 Ca 0.08 0.01 0.04 0.00 -2.81 0.00 0.00 60.65 57.98 1fex h LYS 50 Cb 0.50 0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 31.75 1fex h LYS 50 CO -0.00 0.17 0.14 0.22 -2.81 0.00 0.00 179.45 177.17 1fex h ASP 51 N -0.99 0.00 -0.15 4.20 1.82 0.02 -1.31 116.42 120.01 1fex h ASP 51 Ca -0.02 0.00 -0.20 0.00 -0.39 0.00 0.00 57.03 56.43 1fex h ASP 51 Cb 0.38 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.39 1fex h ASP 51 CO 0.02 0.00 -0.65 -0.09 -1.61 0.00 0.00 179.24 176.92 1fex h ARG 52 N 0.00 0.77 -0.89 0.28 1.12 -1.11 0.18 114.38 114.72 1fex h ARG 52 Ca 0.07 -0.54 0.05 0.00 -1.11 0.00 0.00 59.98 58.45 1fex h ARG 52 Cb 0.35 0.09 -0.06 0.00 -0.01 0.00 0.00 29.97 30.34 1fex h ARG 52 CO -0.00 1.17 0.57 -0.92 -3.11 0.00 0.00 179.97 177.67 1fex h TYR 53 N 0.56 1.06 0.00 2.20 3.20 -1.04 -2.03 116.97 120.92 1fex h TYR 53 Ca -0.01 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.84 1fex h TYR 53 Cb 1.25 -0.35 -0.01 0.00 1.54 0.00 0.00 36.73 39.17 1fex h TYR 53 CO 0.07 0.57 -0.82 -0.07 -1.64 0.00 0.00 178.16 176.27 1fex h LEU 54 N 1.06 0.00 0.03 2.82 3.38 -1.52 -1.90 115.31 119.17 1fex h LEU 54 Ca 0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.35 1fex h LEU 54 Cb 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1fex h LEU 54 CO -0.15 0.15 -0.04 0.11 0.09 0.00 0.00 178.44 178.60 1fex h LYS 55 N 0.00 -0.08 0.00 1.13 1.79 -0.21 -3.42 116.57 115.78 1fex h LYS 55 Ca -0.03 0.01 -0.15 0.00 -2.18 0.00 0.00 60.65 58.29 1fex h LYS 55 Cb 1.14 0.02 -0.12 0.00 -1.58 0.00 0.00 32.23 31.69 1fex h LYS 55 CO 0.01 -0.05 -0.09 -2.39 -1.08 0.00 0.00 179.45 175.85 1fex n HIS 56 N -5.14 -1.46 0.00 -1.35 1.44 -1.10 -5.06 115.22 102.55 1fex n HIS 56 Ca -0.07 -1.33 0.00 0.00 -2.01 0.00 0.00 57.72 54.31 1fex n HIS 56 Cb 0.08 1.40 0.00 0.00 0.12 0.00 0.00 29.99 31.58 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 -0.57 0.00 -3.38 2.39 4.77 -1.02 -5.03 117.00 114.16 1fex n LEU 57 Ca -0.15 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.71 1fex n LEU 57 Cb 0.75 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.85 1fex n LEU 57 CO -0.10 -0.36 0.09 0.54 -1.33 0.00 0.00 177.39 176.24 1fex n ARG 58 N -2.07 -1.41 -0.98 3.23 1.74 -0.75 -5.06 116.66 111.36 1fex n ARG 58 Ca 0.00 1.12 0.00 0.00 -0.77 0.00 0.00 57.85 58.20 1fex n ARG 58 Cb 0.00 -4.39 0.00 0.00 -1.02 0.00 0.00 32.46 27.05 1fex n ARG 58 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52