#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 0.87 -2.28 1.61 1.74 -1.26 -5.12 116.66 112.22 1fex n ARG 2 Ca 0.00 -1.52 -0.26 0.00 -0.77 0.00 0.00 57.85 55.30 1fex n ARG 2 Cb 0.00 -0.06 0.05 0.00 -1.02 0.00 0.00 32.46 31.43 1fex n ARG 2 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1fex s ILE 3 N -0.83 2.87 0.00 0.55 1.01 -1.26 -5.10 121.20 118.44 1fex s ILE 3 Ca 0.26 -0.15 0.00 0.00 0.00 0.00 0.00 60.65 60.76 1fex s ILE 3 Cb -0.02 -3.20 0.00 0.00 0.01 0.00 0.00 42.46 39.25 1fex s ILE 3 CO 0.17 -0.21 0.00 0.00 0.00 0.00 0.00 174.94 174.90 1fex n ALA 4 N -2.77 0.00 -3.54 9.38 0.00 -1.26 -5.10 120.51 117.22 1fex n ALA 4 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.22 1fex n ALA 4 Cb 0.59 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.89 1fex n ALA 4 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1fex s PHE 5 N 0.73 0.38 0.00 0.00 0.08 -1.26 -5.10 117.98 112.81 1fex s PHE 5 Ca 0.00 -0.95 0.00 0.00 0.12 0.00 0.00 56.93 56.10 1fex s PHE 5 Cb 0.00 -0.92 0.00 0.00 -0.57 0.00 0.00 43.02 41.53 1fex s PHE 5 CO 0.00 -0.83 0.00 -2.37 -0.10 0.00 0.00 175.22 171.92 1fex n THR 6 N 5.15 0.00 0.11 0.64 5.66 -1.26 -4.75 114.28 119.82 1fex n THR 6 Ca -0.05 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.76 1fex n THR 6 Cb 0.42 -0.69 -0.15 0.00 -1.55 0.00 0.00 70.33 68.36 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 -0.38 0.58 0.24 1.09 5.19 -2.00 -3.06 116.42 118.07 1fex h ASP 7 Ca 0.00 -0.67 -0.04 0.00 -0.62 0.00 0.00 57.03 55.70 1fex h ASP 7 Cb 0.00 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.32 1fex h ASP 7 CO 0.00 1.53 -0.20 0.00 -3.12 0.00 0.00 179.24 177.45 1fex h ALA 8 N 0.38 1.58 0.05 3.45 0.00 -2.00 -2.56 119.26 120.17 1fex h ALA 8 Ca -0.22 -0.18 -0.21 0.00 0.00 0.00 0.00 54.91 54.30 1fex h ALA 8 Cb 2.06 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 19.84 1fex h ALA 8 CO 0.22 0.25 -0.85 -0.44 0.00 0.00 0.00 179.25 178.43 1fex h ASP 9 N 0.00 0.66 -0.96 0.00 5.19 -1.90 -2.77 116.42 116.64 1fex h ASP 9 Ca -0.00 -0.80 0.02 0.00 -0.62 0.00 0.00 57.03 55.63 1fex h ASP 9 Cb 0.37 -0.20 -0.05 0.00 0.18 0.00 0.00 39.33 39.63 1fex h ASP 9 CO 0.03 1.39 0.63 0.44 -3.12 0.00 0.00 179.24 178.60 1fex h ASP 10 N 0.01 1.07 0.16 6.45 5.19 -1.39 0.12 116.42 128.02 1fex h ASP 10 Ca -0.12 -0.02 -0.14 0.00 -0.62 0.00 0.00 57.03 56.13 1fex h ASP 10 Cb 1.56 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 40.80 1fex h ASP 10 CO 0.16 0.76 -0.52 0.58 -3.12 0.00 0.00 179.24 177.10 1fex h VAL 11 N 1.26 1.34 -0.08 -1.35 2.07 -1.52 -2.18 116.25 115.78 1fex h VAL 11 Ca 0.37 -1.77 -0.06 0.00 0.82 0.00 0.00 66.70 66.05 1fex h VAL 11 Cb -0.08 1.79 0.00 0.00 -1.52 0.00 0.00 31.29 31.49 1fex h VAL 11 CO -0.10 0.54 -0.19 0.00 0.02 0.00 0.00 177.57 177.84 1fex h ALA 12 N 1.13 0.13 0.00 1.67 0.00 -1.04 -0.73 119.26 120.42 1fex h ALA 12 Ca 0.01 -0.38 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 1fex h ALA 12 Cb 1.02 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 1fex h ALA 12 CO 0.09 0.07 -0.11 0.82 0.00 0.00 0.00 179.25 180.13 1fex h ILE 13 N -0.22 0.81 0.00 0.00 2.04 -0.80 -2.01 117.51 117.33 1fex h ILE 13 Ca -0.00 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.46 1fex h ILE 13 Cb 0.80 1.23 0.00 0.00 -0.74 0.00 0.00 36.82 38.11 1fex h ILE 13 CO 0.04 0.10 -0.11 0.25 0.00 0.00 0.00 178.15 178.44 1fex h LEU 14 N 0.00 0.00 -1.56 1.44 5.85 -1.30 -2.76 115.31 116.98 1fex h LEU 14 Ca -0.00 0.00 0.27 0.00 0.84 0.00 0.00 57.88 58.99 1fex h LEU 14 Cb 0.22 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.18 1fex h LEU 14 CO 0.01 0.46 0.69 0.74 -0.34 0.00 0.00 178.44 180.01 1fex h THR 15 N -0.82 0.52 0.07 1.05 2.02 -1.14 0.63 112.91 115.23 1fex h THR 15 Ca 0.00 -0.10 -0.15 0.00 0.77 0.00 0.00 66.41 66.93 1fex h THR 15 Cb 0.11 0.21 0.02 0.00 -1.74 0.00 0.00 68.15 66.74 1fex h THR 15 CO 0.00 0.05 -0.64 0.22 0.37 0.00 0.00 175.52 175.52 1fex h TYR 16 N 0.28 0.51 -0.14 3.16 5.03 -1.50 -2.77 116.97 121.54 1fex h TYR 16 Ca 0.56 -0.33 -0.12 0.00 2.58 0.00 0.00 58.73 61.43 1fex h TYR 16 Cb 1.64 -0.04 0.00 0.00 1.55 0.00 0.00 36.73 39.88 1fex h TYR 16 CO -0.00 1.20 -0.36 0.28 -1.32 0.00 0.00 178.16 177.96 1fex h VAL 17 N -0.32 1.36 0.00 1.81 2.07 -0.91 -2.16 116.25 118.11 1fex h VAL 17 Ca -0.10 -1.64 -0.04 0.00 0.82 0.00 0.00 66.70 65.73 1fex h VAL 17 Cb 1.43 2.04 -0.01 0.00 -1.52 0.00 0.00 31.29 33.23 1fex h VAL 17 CO 0.12 0.49 -0.21 0.50 0.02 0.00 0.00 177.57 178.49 1fex h LYS 18 N 0.11 0.00 0.00 1.57 1.63 0.06 0.61 116.57 120.56 1fex h LYS 18 Ca -0.00 0.00 -0.16 0.00 -0.85 0.00 0.00 60.65 59.64 1fex h LYS 18 Cb 0.97 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.58 1fex h LYS 18 CO 0.08 0.21 -0.86 0.93 -3.45 0.00 0.00 179.45 176.36 1fex h GLU 19 N 0.00 0.00 0.00 1.90 4.39 -1.45 -3.41 114.58 116.02 1fex h GLU 19 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1fex h GLU 19 Cb 0.39 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 1fex h GLU 19 CO 0.03 0.63 -0.71 0.09 -1.16 0.00 0.00 179.01 177.89 1fex n ASN 20 N -3.21 1.49 -4.50 1.42 3.02 -0.82 -4.90 115.26 107.77 1fex n ASN 20 Ca -0.01 0.25 -0.41 0.00 -0.03 0.00 0.00 54.58 54.38 1fex n ASN 20 Cb 0.83 -0.64 -0.10 0.00 -0.61 0.00 0.00 39.78 39.26 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 -4.00 0.52 0.00 5.41 0.00 0.21 -4.54 120.51 118.12 1fex n ALA 21 Ca -0.10 -0.48 0.00 0.00 0.00 0.00 0.00 53.44 52.86 1fex n ALA 21 Cb 0.37 -2.62 0.00 0.00 0.00 0.00 0.00 19.45 17.20 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 8.62 0.00 -3.55 0.00 0.63 -1.26 -4.77 116.66 116.34 1fex n ARG 22 Ca 0.53 0.00 -0.22 0.00 -0.92 0.00 0.00 57.85 57.25 1fex n ARG 22 Cb 0.23 -0.37 -0.01 0.00 0.45 0.00 0.00 32.46 32.76 1fex n ARG 22 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1fex s SER 23 N -3.75 6.18 -0.91 6.15 1.04 -1.26 -4.97 113.70 116.18 1fex s SER 23 Ca 0.00 0.18 -0.17 0.00 0.48 0.00 0.00 55.95 56.43 1fex s SER 23 Cb 0.00 -1.75 -0.11 0.00 0.10 0.00 0.00 66.02 64.26 1fex s SER 23 CO 0.00 -0.30 2.03 -0.81 0.98 0.00 0.00 173.24 175.14 1fex n PRO 24 N -1.67 1.86 0.00 4.02 -0.04 -1.26 -3.15 135.00 134.76 1fex n PRO 24 Ca -0.05 -1.87 0.00 0.00 -0.04 0.00 0.00 63.50 61.54 1fex n PRO 24 Cb 0.57 -2.87 0.00 0.00 -0.04 0.00 0.00 33.50 31.16 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 6.52 0.00 0.20 3.54 3.41 -1.26 -4.86 113.62 121.17 1fex n SER 25 Ca 0.50 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.99 1fex n SER 25 Cb 0.34 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.23 1fex n SER 25 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1fex h SER 26 N 0.00 -0.81 -0.79 4.04 0.02 -1.92 -3.02 113.55 111.06 1fex h SER 26 Ca 0.00 0.06 -0.29 0.00 -0.84 0.00 0.00 61.79 60.72 1fex h SER 26 Cb 0.00 0.26 -0.18 0.00 0.14 0.00 0.00 62.40 62.62 1fex h SER 26 CO 0.00 -0.42 0.36 1.33 -1.14 0.00 0.00 176.83 176.96 1fex n VAL 27 N -4.21 3.00 -0.08 2.27 0.24 -1.26 -1.13 118.33 117.16 1fex n VAL 27 Ca -0.08 -1.76 -0.07 0.00 -2.04 0.00 0.00 64.34 60.39 1fex n VAL 27 Cb 0.29 -0.39 -0.13 0.00 -1.47 0.00 0.00 33.84 32.14 1fex n VAL 27 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 1fex n THR 28 N -0.45 1.06 -1.46 3.34 -1.04 -1.15 -4.51 114.28 110.07 1fex n THR 28 Ca 0.46 -0.66 0.03 0.00 -2.04 0.00 0.00 64.05 61.84 1fex n THR 28 Cb 1.45 -0.56 0.20 0.00 -1.82 0.00 0.00 70.33 69.60 1fex n THR 28 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1fex n GLY 29 N 2.01 4.99 2.79 3.41 0.00 -1.18 -4.95 105.19 112.25 1fex n GLY 29 Ca -0.25 -1.25 -0.18 0.00 0.00 0.00 0.00 46.02 44.34 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 -1.13 -4.53 -0.11 1.61 4.13 -1.26 -4.87 115.26 109.10 1fex n ASN 30 Ca 0.23 -0.07 -0.22 0.00 1.68 0.00 0.00 54.58 56.20 1fex n ASN 30 Cb 0.80 -3.76 -0.11 0.00 -1.54 0.00 0.00 39.78 35.17 1fex n ASN 30 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1fex n ALA 31 N -2.78 0.81 0.10 5.41 0.00 -1.16 -2.88 120.51 120.01 1fex n ALA 31 Ca -0.12 -0.56 0.16 0.00 0.00 0.00 0.00 53.44 52.92 1fex n ALA 31 Cb 0.60 -0.44 0.69 0.00 0.00 0.00 0.00 19.45 20.30 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 0.13 0.00 5.85 -1.41 0.24 115.31 119.13 1fex h LEU 32 Ca -0.37 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.16 1fex h LEU 32 Cb 1.29 0.00 0.02 0.00 0.37 0.00 0.00 40.66 42.34 1fex h LEU 32 CO -0.22 0.00 -0.87 -0.50 -0.34 0.00 0.00 178.44 176.51 1fex h TRP 33 N 0.00 0.51 -0.76 1.25 4.06 -1.80 -3.10 115.95 116.11 1fex h TRP 33 Ca 0.16 -0.37 -0.01 0.00 2.06 0.00 0.00 58.89 60.73 1fex h TRP 33 Cb 0.66 -0.02 -0.04 0.00 -1.00 0.00 0.00 29.16 28.76 1fex h TRP 33 CO 0.00 1.33 0.45 0.87 -3.56 0.00 0.00 178.44 177.53 1fex h LYS 34 N -0.39 1.04 -0.60 0.49 1.57 -1.16 -2.02 116.57 115.49 1fex h LYS 34 Ca -0.16 -0.10 0.01 0.00 -1.87 0.00 0.00 60.65 58.53 1fex h LYS 34 Cb 1.63 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 33.69 1fex h LYS 34 CO 0.13 0.74 0.39 0.00 -0.57 0.00 0.00 179.45 180.14 1fex h ALA 35 N 1.44 0.77 -0.93 3.86 0.00 -0.64 -1.89 119.26 121.87 1fex h ALA 35 Ca 0.27 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 1fex h ALA 35 Cb -0.02 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.50 1fex h ALA 35 CO -0.05 0.17 0.57 1.98 0.00 0.00 0.00 179.25 181.92 1fex h MET 36 N 0.78 1.24 -0.85 0.00 -1.53 -1.30 -1.92 114.93 111.35 1fex h MET 36 Ca 0.23 -0.10 0.15 0.00 -3.44 0.00 0.00 59.70 56.54 1fex h MET 36 Cb -0.06 -0.27 -0.06 0.00 -0.55 0.00 0.00 31.60 30.66 1fex h MET 36 CO -0.07 0.86 0.55 1.49 0.14 0.00 0.00 176.91 179.89 1fex h GLU 37 N 1.27 0.55 0.00 0.39 4.22 -0.79 1.02 114.58 121.23 1fex h GLU 37 Ca 0.33 -0.03 -0.13 0.00 0.08 0.00 0.00 59.36 59.61 1fex h GLU 37 Cb -0.08 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.03 1fex h GLU 37 CO -0.07 0.36 -0.61 0.87 -2.18 0.00 0.00 179.01 177.39 1fex h LYS 38 N 0.56 0.00 -0.36 1.92 1.79 -1.20 -3.40 116.57 115.88 1fex h LYS 38 Ca 0.43 0.00 -0.18 0.00 -2.18 0.00 0.00 60.65 58.72 1fex h LYS 38 Cb 0.82 0.00 -0.15 0.00 -1.58 0.00 0.00 32.23 31.33 1fex h LYS 38 CO -0.17 0.61 -0.45 0.45 -1.08 0.00 0.00 179.45 178.81 1fex n SER 39 N -3.66 -2.96 -3.58 0.86 2.88 0.52 -5.15 113.62 102.54 1fex n SER 39 Ca -0.01 -2.99 -0.10 0.00 -1.33 0.00 0.00 58.87 54.44 1fex n SER 39 Cb 0.64 1.70 0.04 0.00 -0.75 0.00 0.00 64.21 65.84 1fex n SER 39 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1fex n SER 40 N 2.14 1.13 -0.09 -3.46 3.41 0.32 -4.74 113.62 112.34 1fex n SER 40 Ca 0.12 -1.82 -0.18 0.00 -0.26 0.00 0.00 58.87 56.72 1fex n SER 40 Cb 0.61 -0.23 -0.13 0.00 -0.26 0.00 0.00 64.21 64.20 1fex n SER 40 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1fex n LEU 41 N 0.00 2.63 0.00 1.04 7.94 -1.26 -4.99 117.00 122.36 1fex n LEU 41 Ca 0.09 -0.01 -0.13 0.00 -1.11 0.00 0.00 56.01 54.85 1fex n LEU 41 Cb 0.32 -0.85 0.04 0.00 0.53 0.00 0.00 43.42 43.46 1fex n LEU 41 CO 0.21 0.87 0.24 0.35 -1.11 0.00 0.00 177.39 177.95 1fex n THR 42 N -3.29 0.00 -3.57 1.96 -2.24 -1.26 -5.07 114.28 100.81 1fex n THR 42 Ca -0.40 -1.28 -0.41 0.00 -2.27 0.00 0.00 64.05 59.70 1fex n THR 42 Cb 1.02 -0.68 -0.09 0.00 -2.10 0.00 0.00 70.33 68.48 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 -3.73 2.49 0.05 -0.78 -0.21 -1.26 -5.04 119.66 111.18 1fex s GLN 43 Ca 0.40 -1.70 -0.27 0.00 0.02 0.00 0.00 55.36 53.82 1fex s GLN 43 Cb -0.03 -3.88 0.08 0.00 1.00 0.00 0.00 33.01 30.18 1fex s GLN 43 CO 0.25 -1.13 0.72 -1.01 -2.12 0.00 0.00 175.29 172.00 1fex s HIS 44 N 1.37 -0.49 0.27 0.91 3.76 -1.26 -5.05 115.29 114.79 1fex s HIS 44 Ca 0.05 0.46 -0.15 0.00 -0.15 0.00 0.00 55.06 55.28 1fex s HIS 44 Cb -0.25 0.52 -0.08 0.00 1.11 0.00 0.00 32.58 33.87 1fex s HIS 44 CO -0.00 -0.68 0.68 -1.54 -0.85 0.00 0.00 174.74 172.34 1fex s SER 45 N -2.27 6.80 0.40 1.40 1.04 -1.26 -4.77 113.70 115.03 1fex s SER 45 Ca -0.00 1.21 0.17 0.00 0.48 0.00 0.00 55.95 57.81 1fex s SER 45 Cb -0.01 -2.34 1.05 0.00 0.10 0.00 0.00 66.02 64.82 1fex s SER 45 CO -0.07 -0.11 1.82 4.11 0.98 0.00 0.00 173.24 179.97 1fex h TRP 46 N 2.62 0.63 0.54 5.02 5.08 -1.92 -2.09 115.95 125.83 1fex h TRP 46 Ca -0.48 0.02 -0.03 0.00 1.08 0.00 0.00 58.89 59.49 1fex h TRP 46 Cb 1.18 -0.19 0.01 0.00 -3.00 0.00 0.00 29.16 27.15 1fex h TRP 46 CO 0.62 0.13 -0.26 0.37 -1.28 0.00 0.00 178.44 178.03 1fex h GLN 47 N 0.44 -0.70 -0.24 0.12 4.15 -1.92 -0.93 115.11 116.03 1fex h GLN 47 Ca 0.52 0.05 0.07 0.00 0.77 0.00 0.00 58.65 60.05 1fex h GLN 47 Cb 1.24 0.16 -0.01 0.00 0.21 0.00 0.00 27.48 29.08 1fex h GLN 47 CO -0.23 -0.42 0.33 1.03 -1.93 0.00 0.00 178.83 177.61 1fex h SER 48 N -0.85 0.00 0.40 -0.69 0.87 -1.78 0.57 113.55 112.07 1fex h SER 48 Ca -0.07 0.00 -0.32 0.00 -1.23 0.00 0.00 61.79 60.17 1fex h SER 48 Cb 0.60 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.57 1fex h SER 48 CO 0.12 0.00 -1.51 -0.07 -0.53 0.00 0.00 176.83 174.84 1fex h LEU 49 N 0.00 0.54 0.06 2.23 3.38 -1.13 -3.00 115.31 117.39 1fex h LEU 49 Ca 0.11 -0.68 -0.25 0.00 0.09 0.00 0.00 57.88 57.15 1fex h LEU 49 Cb 0.76 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 1fex h LEU 49 CO -0.00 1.55 -1.21 0.50 0.09 0.00 0.00 178.44 179.37 1fex h LYS 50 N 0.09 0.13 -0.29 1.13 3.11 0.36 -2.90 116.57 118.21 1fex h LYS 50 Ca -0.24 -0.23 -0.07 0.00 -2.81 0.00 0.00 60.65 57.30 1fex h LYS 50 Cb 2.06 0.08 -0.01 0.00 -1.00 0.00 0.00 32.23 33.36 1fex h LYS 50 CO 0.20 1.06 -0.10 0.22 -2.81 0.00 0.00 179.45 178.02 1fex h ASP 51 N 0.04 0.59 -0.33 4.20 3.58 -0.08 -2.69 116.42 121.73 1fex h ASP 51 Ca -0.11 -0.38 -0.12 0.00 0.42 0.00 0.00 57.03 56.84 1fex h ASP 51 Cb 1.89 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 42.77 1fex h ASP 51 CO 0.16 0.84 -0.24 -0.09 -2.88 0.00 0.00 179.24 177.03 1fex h ARG 52 N 0.34 0.82 -0.33 0.28 1.12 -1.63 0.16 114.38 115.15 1fex h ARG 52 Ca 0.07 -0.35 0.02 0.00 -1.11 0.00 0.00 59.98 58.61 1fex h ARG 52 Cb 0.59 -0.03 -0.02 0.00 -0.01 0.00 0.00 29.97 30.51 1fex h ARG 52 CO 0.03 0.98 0.22 -0.92 -3.11 0.00 0.00 179.97 177.17 1fex h TYR 53 N 0.71 0.36 0.00 2.20 3.20 -1.43 -2.03 116.97 119.98 1fex h TYR 53 Ca 0.09 0.01 -0.16 0.00 3.14 0.00 0.00 58.73 61.81 1fex h TYR 53 Cb 0.77 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.89 1fex h TYR 53 CO 0.04 0.22 -1.48 1.28 -1.64 0.00 0.00 178.16 176.58 1fex n LEU 54 N -4.49 0.76 -0.08 2.82 4.77 -1.02 -0.29 117.00 119.47 1fex n LEU 54 Ca 0.03 0.33 -0.08 0.00 -0.03 0.00 0.00 56.01 56.26 1fex n LEU 54 Cb 0.12 0.09 -0.01 0.00 -2.33 0.00 0.00 43.42 41.29 1fex n LEU 54 CO 0.35 0.14 0.96 0.11 -1.33 0.00 0.00 177.39 177.62 1fex h LYS 55 N 0.00 0.30 0.00 3.23 1.57 0.06 -3.41 116.57 118.32 1fex h LYS 55 Ca -0.17 -0.02 -0.15 0.00 -1.87 0.00 0.00 60.65 58.44 1fex h LYS 55 Cb 1.57 -0.07 -0.12 0.00 0.08 0.00 0.00 32.23 33.69 1fex h LYS 55 CO 0.04 0.20 -0.11 -2.39 -0.57 0.00 0.00 179.45 176.62 1fex n HIS 56 N -4.96 -1.49 0.05 -1.35 1.44 -1.13 -5.02 115.22 102.75 1fex n HIS 56 Ca -0.01 -1.34 0.00 0.00 -2.01 0.00 0.00 57.72 54.36 1fex n HIS 56 Cb 0.07 1.39 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 -0.59 0.09 -4.05 2.39 4.77 -1.10 -5.00 117.00 113.50 1fex n LEU 57 Ca -0.14 0.15 -0.34 0.00 -0.03 0.00 0.00 56.01 55.65 1fex n LEU 57 Cb 0.75 0.07 -0.12 0.00 -2.33 0.00 0.00 43.42 41.80 1fex n LEU 57 CO -0.10 -0.52 -0.09 -0.60 -1.33 0.00 0.00 177.39 174.76 1fex s ARG 58 N -2.00 2.20 0.00 3.23 6.06 0.61 -5.04 118.95 124.02 1fex s ARG 58 Ca 0.00 -2.37 0.00 0.00 -2.50 0.00 0.00 55.73 50.86 1fex s ARG 58 Cb 0.00 -3.54 0.00 0.00 0.06 0.00 0.00 34.95 31.47 1fex s ARG 58 CO 0.00 -1.12 0.00 0.41 -2.50 0.00 0.00 175.30 172.09