#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 3.86 -0.30 1.61 0.52 -1.26 -4.95 118.95 118.43 1fex s ARG 2 Ca 0.00 2.21 0.15 0.00 -0.52 0.00 0.00 55.73 57.57 1fex s ARG 2 Cb 0.00 -2.70 0.48 0.00 0.52 0.00 0.00 34.95 33.25 1fex s ARG 2 CO 0.00 -0.60 1.11 0.44 0.02 0.00 0.00 175.30 176.27 1fex n ILE 3 N -0.02 1.74 -3.29 1.52 -6.64 -1.26 -5.12 119.36 106.29 1fex n ILE 3 Ca 0.04 -3.59 0.00 0.00 -1.77 0.00 0.00 62.75 57.44 1fex n ILE 3 Cb 0.43 0.14 0.00 0.00 -1.44 0.00 0.00 39.64 38.77 1fex n ILE 3 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 1fex n ALA 4 N -0.53 0.00 -3.72 -1.28 0.00 -1.26 -4.82 120.51 108.91 1fex n ALA 4 Ca 0.22 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.48 1fex n ALA 4 Cb 0.84 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 20.12 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 0.00 0.25 0.00 0.00 0.08 -1.26 -5.13 117.98 111.92 1fex s PHE 5 Ca 0.00 0.07 0.00 0.00 0.12 0.00 0.00 56.93 57.12 1fex s PHE 5 Cb 0.00 -0.46 0.00 0.00 -0.57 0.00 0.00 43.02 41.99 1fex s PHE 5 CO 0.00 -0.17 0.00 -2.37 -0.10 0.00 0.00 175.22 172.58 1fex n THR 6 N 4.61 0.00 -0.08 0.64 5.66 -1.26 -4.79 114.28 119.05 1fex n THR 6 Ca -0.18 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.61 1fex n THR 6 Cb 0.50 -0.15 -0.12 0.00 -1.55 0.00 0.00 70.33 69.01 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 0.08 -0.44 1.09 3.32 -2.01 -3.30 116.42 115.17 1fex h ASP 7 Ca 0.00 -0.61 0.05 0.00 0.02 0.00 0.00 57.03 56.49 1fex h ASP 7 Cb 0.00 -0.03 -0.05 0.00 0.22 0.00 0.00 39.33 39.48 1fex h ASP 7 CO 0.00 1.53 0.16 0.00 -1.72 0.00 0.00 179.24 179.22 1fex h ALA 8 N -0.37 0.53 -0.85 3.45 0.00 -2.01 -2.12 119.26 117.88 1fex h ALA 8 Ca -0.34 0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.64 1fex h ALA 8 Cb 1.42 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 19.18 1fex h ALA 8 CO -0.15 -0.22 0.55 -0.44 0.00 0.00 0.00 179.25 178.99 1fex h ASP 9 N 0.34 0.92 -0.12 0.00 5.19 -1.93 -1.38 116.42 119.45 1fex h ASP 9 Ca 0.20 -0.01 0.03 0.00 -0.62 0.00 0.00 57.03 56.64 1fex h ASP 9 Cb 0.19 -0.21 -0.00 0.00 0.18 0.00 0.00 39.33 39.48 1fex h ASP 9 CO -0.20 0.64 0.09 0.44 -3.12 0.00 0.00 179.24 177.09 1fex h ASP 10 N 1.08 0.00 0.03 6.45 3.32 -1.46 0.09 116.42 125.93 1fex h ASP 10 Ca 0.33 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.38 1fex h ASP 10 Cb -0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.53 1fex h ASP 10 CO -0.11 0.00 -0.01 0.58 -1.72 0.00 0.00 179.24 177.98 1fex h VAL 11 N 0.00 1.11 -0.67 -1.35 2.07 -1.03 -2.48 116.25 113.89 1fex h VAL 11 Ca 0.06 -1.71 0.00 0.00 0.82 0.00 0.00 66.70 65.87 1fex h VAL 11 Cb 0.24 2.05 -0.03 0.00 -1.52 0.00 0.00 31.29 32.03 1fex h VAL 11 CO -0.00 0.36 0.43 0.00 0.02 0.00 0.00 177.57 178.37 1fex h ALA 12 N -0.32 1.49 -0.15 1.67 0.00 -1.23 0.29 119.26 121.02 1fex h ALA 12 Ca -0.00 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.71 1fex h ALA 12 Cb 0.62 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1fex h ALA 12 CO 0.01 0.46 -0.50 0.82 0.00 0.00 0.00 179.25 180.03 1fex h ILE 13 N 0.92 1.33 0.31 0.00 2.04 -1.09 -2.49 117.51 118.54 1fex h ILE 13 Ca 0.24 -1.74 -0.02 0.00 1.00 0.00 0.00 64.86 64.35 1fex h ILE 13 Cb -0.08 1.77 0.00 0.00 -0.74 0.00 0.00 36.82 37.78 1fex h ILE 13 CO -0.05 0.53 -0.15 0.25 0.00 0.00 0.00 178.15 178.73 1fex h LEU 14 N 0.31 -0.36 -1.62 1.44 5.85 -0.86 -2.49 115.31 117.60 1fex h LEU 14 Ca 0.01 0.01 0.26 0.00 0.84 0.00 0.00 57.88 59.01 1fex h LEU 14 Cb 1.00 0.09 -0.07 0.00 0.37 0.00 0.00 40.66 42.05 1fex h LEU 14 CO 0.09 0.09 0.67 0.74 -0.34 0.00 0.00 178.44 179.69 1fex h THR 15 N -1.11 0.55 -0.03 1.05 2.02 -1.06 0.84 112.91 115.18 1fex h THR 15 Ca -0.04 -0.09 -0.19 0.00 0.77 0.00 0.00 66.41 66.85 1fex h THR 15 Cb 0.32 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 66.99 1fex h THR 15 CO 0.07 0.05 -0.82 0.22 0.37 0.00 0.00 175.52 175.41 1fex h TYR 16 N 0.27 0.44 0.00 3.16 5.03 -1.50 -2.56 116.97 121.80 1fex h TYR 16 Ca 0.53 -0.22 -0.21 0.00 2.58 0.00 0.00 58.73 61.40 1fex h TYR 16 Cb 1.57 -0.06 -0.03 0.00 1.55 0.00 0.00 36.73 39.76 1fex h TYR 16 CO -0.00 1.00 -1.13 0.28 -1.32 0.00 0.00 178.16 176.98 1fex h VAL 17 N 0.19 1.29 0.00 1.81 2.07 0.05 -2.98 116.25 118.68 1fex h VAL 17 Ca -0.04 -2.96 -0.04 0.00 0.82 0.00 0.00 66.70 64.47 1fex h VAL 17 Cb 1.42 2.62 -0.01 0.00 -1.52 0.00 0.00 31.29 33.81 1fex h VAL 17 CO 0.13 0.73 -0.19 0.50 0.02 0.00 0.00 177.57 178.76 1fex h LYS 18 N 0.00 0.00 0.10 1.57 1.63 0.48 -0.76 116.57 119.59 1fex h LYS 18 Ca -0.09 0.00 -0.33 0.00 -0.85 0.00 0.00 60.65 59.38 1fex h LYS 18 Cb 1.76 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 33.37 1fex h LYS 18 CO 0.10 0.19 -1.81 0.93 -3.45 0.00 0.00 179.45 175.42 1fex h GLU 19 N 0.00 0.21 0.00 1.90 4.39 -1.52 -3.43 114.58 116.13 1fex h GLU 19 Ca -0.00 -0.35 0.00 0.00 0.34 0.00 0.00 59.36 59.35 1fex h GLU 19 Cb 0.96 0.13 0.00 0.00 -0.10 0.00 0.00 28.75 29.74 1fex h GLU 19 CO 0.03 1.02 -0.72 0.09 -1.16 0.00 0.00 179.01 178.27 1fex n ASN 20 N -3.38 1.48 -4.49 1.42 3.02 -1.12 -4.91 115.26 107.27 1fex n ASN 20 Ca -0.24 0.29 -0.53 0.00 -0.03 0.00 0.00 54.58 54.07 1fex n ASN 20 Cb 1.05 -0.70 -0.07 0.00 -0.61 0.00 0.00 39.78 39.45 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 -3.92 0.72 -2.01 5.41 0.00 -0.29 -4.67 120.51 115.75 1fex n ALA 21 Ca -0.10 0.08 -0.03 0.00 0.00 0.00 0.00 53.44 53.39 1fex n ALA 21 Cb 0.37 -2.43 -0.01 0.00 0.00 0.00 0.00 19.45 17.39 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 7.46 0.22 -3.80 0.00 3.00 -1.26 -4.69 116.66 117.60 1fex n ARG 22 Ca 0.38 -0.60 -0.05 0.00 -0.00 0.00 0.00 57.85 57.58 1fex n ARG 22 Cb 0.18 0.43 -0.02 0.00 0.00 0.00 0.00 32.46 33.06 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 -0.59 -0.21 -1.31 6.15 1.04 -1.26 -5.05 113.70 112.46 1fex s SER 23 Ca 0.01 -0.48 -0.14 0.00 0.48 0.00 0.00 55.95 55.82 1fex s SER 23 Cb 0.07 0.59 -0.04 0.00 0.10 0.00 0.00 66.02 66.74 1fex s SER 23 CO -0.02 -1.08 2.33 -0.81 0.98 0.00 0.00 173.24 174.64 1fex n PRO 24 N -0.47 2.72 0.00 4.02 -0.04 -1.26 -3.51 135.00 136.46 1fex n PRO 24 Ca -0.05 -2.25 0.00 0.00 -0.04 0.00 0.00 63.50 61.15 1fex n PRO 24 Cb 0.60 -3.02 0.00 0.00 -0.04 0.00 0.00 33.50 31.04 1fex n PRO 24 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1fex n SER 25 N 5.60 0.00 0.05 3.54 2.88 -1.26 -4.89 113.62 119.53 1fex n SER 25 Ca 0.57 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 58.09 1fex n SER 25 Cb 0.33 0.08 -0.01 0.00 -0.75 0.00 0.00 64.21 63.86 1fex n SER 25 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1fex h SER 26 N 0.00 -0.10 0.81 -3.46 0.02 -1.89 0.83 113.55 109.76 1fex h SER 26 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1fex h SER 26 Cb 0.00 0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.57 1fex h SER 26 CO 0.00 -0.05 0.00 -0.37 -1.14 0.00 0.00 176.83 175.27 1fex h VAL 27 N -0.18 0.00 0.00 2.27 -1.51 -1.95 -2.93 116.25 111.95 1fex h VAL 27 Ca -0.01 -0.38 -0.20 0.00 -1.23 0.00 0.00 66.70 64.87 1fex h VAL 27 Cb 0.09 1.32 -0.04 0.00 -2.13 0.00 0.00 31.29 30.54 1fex h VAL 27 CO 0.02 0.00 -1.85 0.35 -1.23 0.00 0.00 177.57 174.86 1fex n THR 28 N -2.91 1.02 -2.58 7.19 -2.24 -1.23 -4.96 114.28 108.56 1fex n THR 28 Ca 0.00 -0.71 0.00 0.00 -2.27 0.00 0.00 64.05 61.08 1fex n THR 28 Cb 0.25 -0.51 0.00 0.00 -2.10 0.00 0.00 70.33 67.97 1fex n THR 28 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1fex n GLY 29 N 1.48 1.94 0.82 3.38 0.00 0.29 -4.95 105.19 108.15 1fex n GLY 29 Ca -0.16 -2.09 0.05 0.00 0.00 0.00 0.00 46.02 43.82 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 -1.72 1.49 -0.10 1.61 3.02 -1.26 -4.81 115.26 113.50 1fex n ASN 30 Ca 0.00 -3.24 -0.18 0.00 -0.03 0.00 0.00 54.58 51.13 1fex n ASN 30 Cb 0.00 -0.45 -0.09 0.00 -0.61 0.00 0.00 39.78 38.63 1fex n ASN 30 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1fex n ALA 31 N -0.64 0.72 0.27 5.41 0.00 -1.26 -2.82 120.51 122.19 1fex n ALA 31 Ca 0.14 -0.50 0.11 0.00 0.00 0.00 0.00 53.44 53.20 1fex n ALA 31 Cb 0.82 -0.39 0.76 0.00 0.00 0.00 0.00 19.45 20.64 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 0.00 0.00 5.85 -1.87 -1.19 115.31 117.10 1fex h LEU 32 Ca -0.28 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.39 1fex h LEU 32 Cb 1.13 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 1fex h LEU 32 CO -0.17 0.03 -0.27 -0.50 -0.34 0.00 0.00 178.44 177.19 1fex h TRP 33 N 0.00 0.00 -0.54 1.25 4.06 -1.86 -2.87 115.95 116.00 1fex h TRP 33 Ca -0.00 0.00 0.08 0.00 2.06 0.00 0.00 58.89 61.03 1fex h TRP 33 Cb 0.06 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 28.16 1fex h TRP 33 CO 0.00 0.98 0.20 0.87 -3.56 0.00 0.00 178.44 176.92 1fex h LYS 34 N -1.00 0.36 -0.54 0.49 1.79 -1.35 -1.27 116.57 115.05 1fex h LYS 34 Ca -0.07 -0.02 -0.06 0.00 -2.18 0.00 0.00 60.65 58.31 1fex h LYS 34 Cb 0.95 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 31.50 1fex h LYS 34 CO -0.04 0.24 0.09 0.00 -1.08 0.00 0.00 179.45 178.66 1fex h ALA 35 N 1.36 1.13 -0.47 3.86 0.00 -1.36 -2.70 119.26 121.09 1fex h ALA 35 Ca 0.26 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.98 1fex h ALA 35 Cb 0.30 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1fex h ALA 35 CO -0.27 0.57 0.25 1.98 0.00 0.00 0.00 179.25 181.78 1fex h MET 36 N 0.82 0.47 -0.58 0.00 1.85 -1.01 0.23 114.93 116.72 1fex h MET 36 Ca 0.17 -0.03 -0.03 0.00 -0.61 0.00 0.00 59.70 59.20 1fex h MET 36 Cb 0.36 -0.11 -0.03 0.00 0.43 0.00 0.00 31.60 32.26 1fex h MET 36 CO 0.01 0.31 0.23 1.49 -0.40 0.00 0.00 176.91 178.55 1fex h GLU 37 N 0.49 0.84 -0.55 0.39 4.81 -1.17 -1.50 114.58 117.89 1fex h GLU 37 Ca 0.20 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1fex h GLU 37 Cb 0.10 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.33 1fex h GLU 37 CO -0.14 0.69 0.00 1.17 -0.73 0.00 0.00 179.01 180.01 1fex n LYS 38 N -4.32 2.49 0.00 1.92 3.00 -0.67 -4.52 118.16 116.06 1fex n LYS 38 Ca 0.05 -1.83 0.00 0.00 -0.00 0.00 0.00 58.31 56.53 1fex n LYS 38 Cb 0.17 -1.54 0.00 0.00 0.00 0.00 0.00 35.03 33.66 1fex n LYS 38 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1fex n SER 39 N 0.80 0.00 -3.27 3.14 2.88 0.74 -5.03 113.62 112.87 1fex n SER 39 Ca 0.17 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.53 1fex n SER 39 Cb 0.53 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.92 1fex n SER 39 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1fex s SER 40 N -2.95 0.84 0.00 -3.46 0.15 -0.66 -5.07 113.70 102.56 1fex s SER 40 Ca 0.00 -2.09 0.00 0.00 0.70 0.00 0.00 55.95 54.56 1fex s SER 40 Cb 0.00 0.46 0.00 0.00 -1.71 0.00 0.00 66.02 64.77 1fex s SER 40 CO 0.00 -0.20 0.00 -0.11 1.20 0.00 0.00 173.24 174.13 1fex n LEU 41 N 3.58 0.00 0.00 3.45 0.00 -1.21 -4.88 117.00 117.94 1fex n LEU 41 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.19 1fex n LEU 41 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.89 1fex n LEU 41 CO 0.07 0.00 0.00 0.41 0.00 0.00 0.00 177.39 177.87 1fex n THR 42 N 0.00 0.00 -1.77 1.96 -1.04 -1.26 -5.03 114.28 107.14 1fex n THR 42 Ca 0.00 0.00 -0.37 0.00 -2.04 0.00 0.00 64.05 61.64 1fex n THR 42 Cb 0.00 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 68.46 1fex n THR 42 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1fex n GLN 43 N 0.00 1.87 -3.78 -2.82 6.02 -1.26 -4.81 117.38 112.60 1fex n GLN 43 Ca 0.00 -2.36 -0.07 0.00 -0.01 0.00 0.00 57.00 54.56 1fex n GLN 43 Cb 0.00 -3.37 -0.02 0.00 1.02 0.00 0.00 30.24 27.87 1fex n GLN 43 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 1fex s HIS 44 N 7.35 -0.23 0.23 1.08 3.76 -1.26 -5.01 115.29 121.21 1fex s HIS 44 Ca 0.61 -0.17 0.09 0.00 -0.15 0.00 0.00 55.06 55.44 1fex s HIS 44 Cb 0.07 0.68 -0.04 0.00 1.11 0.00 0.00 32.58 34.39 1fex s HIS 44 CO 0.11 -1.12 -0.04 -1.54 -0.85 0.00 0.00 174.74 171.29 1fex s SER 45 N -2.89 4.42 0.42 1.40 1.04 -1.26 -4.97 113.70 111.87 1fex s SER 45 Ca 0.10 -0.62 0.09 0.00 0.48 0.00 0.00 55.95 55.99 1fex s SER 45 Cb -0.05 -0.79 0.91 0.00 0.10 0.00 0.00 66.02 66.19 1fex s SER 45 CO 0.03 0.04 2.05 4.11 0.98 0.00 0.00 173.24 180.46 1fex h TRP 46 N 2.30 0.39 0.80 5.02 5.08 -1.91 -2.24 115.95 125.38 1fex h TRP 46 Ca -0.45 0.00 -0.03 0.00 1.08 0.00 0.00 58.89 59.49 1fex h TRP 46 Cb 1.23 -0.13 -0.00 0.00 -3.00 0.00 0.00 29.16 27.26 1fex h TRP 46 CO 0.67 0.28 -0.50 1.96 -1.28 0.00 0.00 178.44 179.58 1fex h GLN 47 N 0.41 -1.17 -0.09 0.12 4.20 -1.95 0.16 115.11 116.79 1fex h GLN 47 Ca 0.11 0.08 0.03 0.00 0.06 0.00 0.00 58.65 58.92 1fex h GLN 47 Cb 0.02 0.27 -0.00 0.00 0.30 0.00 0.00 27.48 28.07 1fex h GLN 47 CO -0.02 -0.78 0.08 1.03 -0.67 0.00 0.00 178.83 178.47 1fex h SER 48 N -1.21 0.00 0.37 1.46 0.87 -1.95 0.17 113.55 113.26 1fex h SER 48 Ca -0.11 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.43 1fex h SER 48 Cb 0.97 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.94 1fex h SER 48 CO 0.10 0.00 -0.18 0.25 -0.53 0.00 0.00 176.83 176.47 1fex h LEU 49 N 0.00 -0.43 -0.64 2.23 7.12 -0.74 -2.05 115.31 120.81 1fex h LEU 49 Ca 0.04 -0.14 -0.02 0.00 0.13 0.00 0.00 57.88 57.89 1fex h LEU 49 Cb 0.20 0.11 -0.03 0.00 -0.53 0.00 0.00 40.66 40.41 1fex h LEU 49 CO -0.00 -0.04 0.32 0.50 -0.13 0.00 0.00 178.44 179.08 1fex h LYS 50 N -0.88 0.91 -0.46 1.25 1.63 -0.22 -2.26 116.57 116.53 1fex h LYS 50 Ca -0.05 -0.13 0.04 0.00 -0.85 0.00 0.00 60.65 59.66 1fex h LYS 50 Cb 0.54 -0.17 -0.03 0.00 -0.60 0.00 0.00 32.23 31.98 1fex h LYS 50 CO 0.08 0.72 0.31 0.22 -3.45 0.00 0.00 179.45 177.33 1fex h ASP 51 N 0.87 0.41 -0.46 4.20 1.82 -1.00 -1.74 116.42 120.52 1fex h ASP 51 Ca 0.22 -0.00 -0.11 0.00 -0.39 0.00 0.00 57.03 56.75 1fex h ASP 51 Cb 0.10 -0.09 -0.01 0.00 0.68 0.00 0.00 39.33 40.00 1fex h ASP 51 CO -0.03 0.28 -0.14 -0.09 -1.61 0.00 0.00 179.24 177.65 1fex h ARG 52 N 0.48 0.91 -0.53 0.28 9.65 -0.77 0.85 114.38 125.24 1fex h ARG 52 Ca 0.19 -0.36 -0.01 0.00 -1.10 0.00 0.00 59.98 58.70 1fex h ARG 52 Cb 0.17 -0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 28.68 1fex h ARG 52 CO -0.05 1.01 0.30 -0.92 2.80 0.00 0.00 179.97 183.11 1fex h TYR 53 N 0.75 0.69 0.00 2.20 3.20 -1.08 -2.67 116.97 120.06 1fex h TYR 53 Ca 0.11 -0.00 -0.24 0.00 3.14 0.00 0.00 58.73 61.74 1fex h TYR 53 Cb 0.70 -0.23 -0.04 0.00 1.54 0.00 0.00 36.73 38.70 1fex h TYR 53 CO 0.05 0.48 -1.63 1.28 -1.64 0.00 0.00 178.16 176.70 1fex n LEU 54 N -4.41 0.82 0.16 2.82 4.77 -1.04 -0.10 117.00 120.02 1fex n LEU 54 Ca 0.05 0.38 -0.14 0.00 -0.03 0.00 0.00 56.01 56.26 1fex n LEU 54 Cb 0.09 0.15 -0.07 0.00 -2.33 0.00 0.00 43.42 41.26 1fex n LEU 54 CO 0.36 0.29 0.64 0.11 -1.33 0.00 0.00 177.39 177.46 1fex h LYS 55 N 0.00 -0.61 -0.02 3.23 1.79 0.11 -3.41 116.57 117.66 1fex h LYS 55 Ca -0.25 0.04 -0.20 0.00 -2.18 0.00 0.00 60.65 58.06 1fex h LYS 55 Cb 1.85 0.14 -0.16 0.00 -1.58 0.00 0.00 32.23 32.48 1fex h LYS 55 CO 0.06 -0.40 -0.34 -2.39 -1.08 0.00 0.00 179.45 175.30 1fex n HIS 56 N -5.44 -2.18 0.07 -1.35 1.44 -1.15 -5.00 115.22 101.61 1fex n HIS 56 Ca -0.08 -1.84 0.00 0.00 -2.01 0.00 0.00 57.72 53.79 1fex n HIS 56 Cb 0.35 1.53 0.00 0.00 0.12 0.00 0.00 29.99 31.99 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 -1.04 0.45 -4.65 2.39 4.77 -1.16 -5.04 117.00 112.73 1fex n LEU 57 Ca -0.10 0.22 -0.36 0.00 -0.03 0.00 0.00 56.01 55.74 1fex n LEU 57 Cb 0.86 -0.03 -0.09 0.00 -2.33 0.00 0.00 43.42 41.83 1fex n LEU 57 CO -0.11 -0.64 -0.19 -0.60 -1.33 0.00 0.00 177.39 174.53 1fex s ARG 58 N -2.00 4.05 0.00 3.23 6.06 0.86 -5.04 118.95 126.11 1fex s ARG 58 Ca 0.00 -0.28 0.00 0.00 -2.50 0.00 0.00 55.73 52.95 1fex s ARG 58 Cb 0.00 -3.48 0.00 0.00 0.06 0.00 0.00 34.95 31.53 1fex s ARG 58 CO 0.00 0.10 0.00 0.41 -2.50 0.00 0.00 175.30 173.31