#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 -1.14 -2.19 1.61 5.12 -1.26 -4.79 116.66 114.01 1fex n ARG 2 Ca 0.00 0.75 -0.27 0.00 -1.93 0.00 0.00 57.85 56.40 1fex n ARG 2 Cb 0.00 -1.39 0.05 0.00 -1.16 0.00 0.00 32.46 29.96 1fex n ARG 2 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1fex s ILE 3 N -1.10 2.93 0.80 0.55 1.01 -1.26 -5.08 121.20 119.04 1fex s ILE 3 Ca 0.00 -0.03 -0.13 0.00 0.00 0.00 0.00 60.65 60.49 1fex s ILE 3 Cb 0.00 -3.24 0.18 0.00 0.01 0.00 0.00 42.46 39.42 1fex s ILE 3 CO 0.00 -0.27 1.08 0.00 0.00 0.00 0.00 174.94 175.76 1fex n ALA 4 N -2.86 -1.20 -2.73 9.38 0.00 -1.26 -5.08 120.51 116.76 1fex n ALA 4 Ca 0.07 -1.44 -0.04 0.00 0.00 0.00 0.00 53.44 52.03 1fex n ALA 4 Cb 0.59 -0.06 0.02 0.00 0.00 0.00 0.00 19.45 20.00 1fex n ALA 4 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1fex n PHE 5 N -3.47 -2.90 -0.80 0.00 3.72 -1.26 -5.11 117.46 107.64 1fex n PHE 5 Ca 0.14 -1.15 -0.15 0.00 -0.05 0.00 0.00 57.45 56.23 1fex n PHE 5 Cb 0.48 1.37 0.13 0.00 -0.94 0.00 0.00 39.48 40.52 1fex n PHE 5 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1fex n THR 6 N 2.81 0.00 -0.03 4.37 -2.24 -1.26 -4.82 114.28 113.12 1fex n THR 6 Ca 0.16 -0.25 -0.07 0.00 -2.27 0.00 0.00 64.05 61.61 1fex n THR 6 Cb 0.59 -1.13 0.11 0.00 -2.10 0.00 0.00 70.33 67.79 1fex n THR 6 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1fex h ASP 7 N -1.86 0.65 -0.76 3.42 3.32 -2.01 -2.97 116.42 116.20 1fex h ASP 7 Ca -0.21 -0.27 -0.02 0.00 0.02 0.00 0.00 57.03 56.55 1fex h ASP 7 Cb 0.64 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.98 1fex h ASP 7 CO 0.14 0.94 0.39 0.00 -1.72 0.00 0.00 179.24 178.99 1fex h ALA 8 N 1.10 1.24 -0.64 3.45 0.00 -2.00 -2.15 119.26 120.26 1fex h ALA 8 Ca 0.06 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1fex h ALA 8 Cb 0.84 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1fex h ALA 8 CO 0.07 0.60 0.06 -0.44 0.00 0.00 0.00 179.25 179.54 1fex h ASP 9 N 1.09 1.04 0.02 0.00 5.19 -1.86 -2.69 116.42 119.21 1fex h ASP 9 Ca 0.27 -0.26 -0.08 0.00 -0.62 0.00 0.00 57.03 56.34 1fex h ASP 9 Cb 0.07 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 39.29 1fex h ASP 9 CO -0.04 1.05 -0.22 0.44 -3.12 0.00 0.00 179.24 177.36 1fex h ASP 10 N 0.99 0.33 -0.35 6.45 3.32 -1.32 -2.48 116.42 123.37 1fex h ASP 10 Ca 0.19 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 1fex h ASP 10 Cb 0.48 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 1fex h ASP 10 CO 0.02 0.56 0.16 0.58 -1.72 0.00 0.00 179.24 178.85 1fex h VAL 11 N 0.31 1.17 -0.46 -1.35 2.07 -1.07 0.24 116.25 117.16 1fex h VAL 11 Ca 0.05 -0.49 -0.06 0.00 0.82 0.00 0.00 66.70 67.02 1fex h VAL 11 Cb 0.56 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 1fex h VAL 11 CO 0.04 0.18 0.06 0.00 0.02 0.00 0.00 177.57 177.87 1fex h ALA 12 N 1.01 0.61 -0.30 1.67 0.00 -1.37 -0.33 119.26 120.55 1fex h ALA 12 Ca 0.12 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1fex h ALA 12 Cb 0.13 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1fex h ALA 12 CO -0.01 0.34 0.05 0.82 0.00 0.00 0.00 179.25 180.45 1fex h ILE 13 N 0.62 1.23 0.67 0.00 2.04 -1.25 0.25 117.51 121.07 1fex h ILE 13 Ca 0.14 -0.80 -0.03 0.00 1.00 0.00 0.00 64.86 65.16 1fex h ILE 13 Cb 0.40 1.18 0.01 0.00 -0.74 0.00 0.00 36.82 37.66 1fex h ILE 13 CO 0.01 0.26 -0.32 0.25 0.00 0.00 0.00 178.15 178.35 1fex h LEU 14 N 0.32 -0.76 -1.07 1.44 5.85 -0.41 0.30 115.31 120.98 1fex h LEU 14 Ca 0.09 0.03 0.18 0.00 0.84 0.00 0.00 57.88 59.02 1fex h LEU 14 Cb 0.34 0.20 -0.10 0.00 0.37 0.00 0.00 40.66 41.47 1fex h LEU 14 CO 0.01 -0.53 0.62 0.74 -0.34 0.00 0.00 178.44 178.93 1fex h THR 15 N -0.93 0.74 0.38 1.05 2.02 -1.10 0.47 112.91 115.54 1fex h THR 15 Ca -0.09 -0.26 -0.02 0.00 0.77 0.00 0.00 66.41 66.81 1fex h THR 15 Cb 0.69 -0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.01 1fex h THR 15 CO 0.15 0.14 -0.18 0.22 0.37 0.00 0.00 175.52 176.22 1fex h TYR 16 N 0.76 -0.47 -0.51 3.16 5.03 -0.76 -1.33 116.97 122.85 1fex h TYR 16 Ca 0.55 -0.01 0.03 0.00 2.58 0.00 0.00 58.73 61.88 1fex h TYR 16 Cb 0.86 0.16 -0.04 0.00 1.55 0.00 0.00 36.73 39.26 1fex h TYR 16 CO -0.00 -0.15 0.30 0.28 -1.32 0.00 0.00 178.16 177.27 1fex h VAL 17 N -0.82 1.04 0.00 1.81 2.07 0.33 -0.16 116.25 120.51 1fex h VAL 17 Ca -0.05 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1fex h VAL 17 Cb 0.53 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 1fex h VAL 17 CO 0.09 0.11 0.00 1.17 0.02 0.00 0.00 177.57 178.95 1fex n LYS 18 N -4.81 0.18 -0.08 1.57 4.81 0.16 -1.08 118.16 118.91 1fex n LYS 18 Ca 0.04 0.52 -0.23 0.00 -0.87 0.00 0.00 58.31 57.77 1fex n LYS 18 Cb 0.09 -1.93 -0.12 0.00 0.02 0.00 0.00 35.03 33.09 1fex n LYS 18 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1fex n GLU 19 N -2.29 0.63 -0.08 1.64 -0.58 -0.18 -4.73 120.64 115.05 1fex n GLU 19 Ca 0.01 0.43 -0.07 0.00 -0.42 0.00 0.00 57.16 57.11 1fex n GLU 19 Cb 0.15 -1.69 -0.03 0.00 -0.57 0.00 0.00 31.44 29.30 1fex n GLU 19 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1fex n ASN 20 N -4.09 1.83 -4.51 1.62 3.02 -0.55 -4.84 115.26 107.73 1fex n ASN 20 Ca -0.36 0.58 -0.38 0.00 -0.03 0.00 0.00 54.58 54.40 1fex n ASN 20 Cb 0.82 -0.87 -0.13 0.00 -0.61 0.00 0.00 39.78 39.00 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 -3.70 0.47 -2.25 5.41 0.00 -0.24 -4.69 120.51 115.50 1fex n ALA 21 Ca -0.11 -0.50 0.04 0.00 0.00 0.00 0.00 53.44 52.87 1fex n ALA 21 Cb 0.34 -2.50 0.05 0.00 0.00 0.00 0.00 19.45 17.33 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 8.34 0.26 -3.46 0.00 5.12 -1.26 -4.78 116.66 120.88 1fex n ARG 22 Ca 0.60 -2.04 -0.14 0.00 -1.93 0.00 0.00 57.85 54.34 1fex n ARG 22 Cb 0.16 -0.35 -0.03 0.00 -1.16 0.00 0.00 32.46 31.07 1fex n ARG 22 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 1fex s SER 23 N -2.04 -0.59 -1.03 0.55 1.04 -1.26 -5.04 113.70 105.32 1fex s SER 23 Ca 0.29 0.26 -0.12 0.00 0.48 0.00 0.00 55.95 56.86 1fex s SER 23 Cb 0.32 0.57 -0.08 0.00 0.10 0.00 0.00 66.02 66.93 1fex s SER 23 CO -0.12 -0.82 2.19 -0.81 0.98 0.00 0.00 173.24 174.65 1fex n PRO 24 N 0.09 2.23 0.00 4.02 -0.04 -1.26 -3.20 135.00 136.84 1fex n PRO 24 Ca -0.17 -1.79 0.00 0.00 -0.04 0.00 0.00 63.50 61.50 1fex n PRO 24 Cb 0.62 -2.72 0.00 0.00 -0.04 0.00 0.00 33.50 31.36 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 5.23 0.00 0.12 3.54 2.88 -1.26 -4.90 113.62 119.22 1fex n SER 25 Ca 0.51 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 58.10 1fex n SER 25 Cb 0.25 0.15 0.49 0.00 -0.75 0.00 0.00 64.21 64.35 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 0.24 -0.46 -3.46 0.02 -1.94 0.48 113.55 108.44 1fex h SER 26 Ca 0.00 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1fex h SER 26 Cb 0.00 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.48 1fex h SER 26 CO 0.00 0.23 0.00 1.33 -1.14 0.00 0.00 176.83 177.25 1fex n VAL 27 N -4.45 1.88 -1.85 2.27 0.24 -1.26 -3.91 118.33 111.26 1fex n VAL 27 Ca 0.00 -1.01 -0.05 0.00 -2.04 0.00 0.00 64.34 61.24 1fex n VAL 27 Cb 0.12 -0.22 -0.05 0.00 -1.47 0.00 0.00 33.84 32.22 1fex n VAL 27 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 1fex n THR 28 N 0.58 0.00 -1.33 3.34 5.66 -0.29 -4.95 114.28 117.29 1fex n THR 28 Ca 0.21 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.21 1fex n THR 28 Cb 0.89 0.34 0.01 0.00 -1.55 0.00 0.00 70.33 70.01 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 0.00 -0.99 2.12 1.09 0.00 0.15 -4.90 105.19 102.66 1fex n GLY 29 Ca -0.19 -0.05 -0.14 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.09 -3.83 0.00 1.61 4.13 -1.26 -4.83 115.26 110.99 1fex n ASN 30 Ca 0.01 0.36 0.00 0.00 1.68 0.00 0.00 54.58 56.62 1fex n ASN 30 Cb 0.57 -3.52 0.00 0.00 -1.54 0.00 0.00 39.78 35.29 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 0.65 0.00 -0.08 5.41 0.00 -1.26 -2.91 120.51 122.32 1fex n ALA 31 Ca -0.14 -0.13 0.21 0.00 0.00 0.00 0.00 53.44 53.38 1fex n ALA 31 Cb 0.48 0.00 0.66 0.00 0.00 0.00 0.00 19.45 20.59 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 0.00 0.08 0.25 0.00 5.85 -1.88 -0.31 115.31 119.29 1fex h LEU 32 Ca 0.00 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1fex h LEU 32 Cb 0.00 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.02 1fex h LEU 32 CO 0.00 0.04 -0.12 -0.50 -0.34 0.00 0.00 178.44 177.52 1fex h TRP 33 N 0.08 -0.31 -0.71 1.25 4.06 -1.77 -3.03 115.95 115.52 1fex h TRP 33 Ca 0.32 -0.01 0.13 0.00 2.06 0.00 0.00 58.89 61.39 1fex h TRP 33 Cb 1.17 0.10 -0.05 0.00 -1.00 0.00 0.00 29.16 29.38 1fex h TRP 33 CO -0.00 0.04 0.47 0.87 -3.56 0.00 0.00 178.44 176.26 1fex h LYS 34 N -0.94 0.45 -0.90 0.49 1.79 -1.25 -0.50 116.57 115.71 1fex h LYS 34 Ca -0.03 -0.03 0.01 0.00 -2.18 0.00 0.00 60.65 58.42 1fex h LYS 34 Cb 0.49 -0.10 -0.04 0.00 -1.58 0.00 0.00 32.23 30.99 1fex h LYS 34 CO 0.06 0.30 0.59 0.00 -1.08 0.00 0.00 179.45 179.31 1fex h ALA 35 N 1.65 1.14 -0.31 3.86 0.00 -1.08 -2.47 119.26 122.05 1fex h ALA 35 Ca 0.34 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.19 1fex h ALA 35 Cb 0.70 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1fex h ALA 35 CO -0.11 0.54 0.20 0.52 0.00 0.00 0.00 179.25 180.40 1fex h MET 36 N 1.22 0.40 -0.77 0.00 2.86 -0.96 0.25 114.93 117.92 1fex h MET 36 Ca 0.33 -0.02 0.17 0.00 -2.06 0.00 0.00 59.70 58.12 1fex h MET 36 Cb -0.14 -0.09 -0.05 0.00 0.06 0.00 0.00 31.60 31.39 1fex h MET 36 CO -0.07 0.26 0.52 1.49 1.06 0.00 0.00 176.91 180.18 1fex h GLU 37 N 0.41 0.30 0.00 1.72 4.22 -1.31 0.84 114.58 120.76 1fex h GLU 37 Ca 0.12 -0.02 -0.14 0.00 0.08 0.00 0.00 59.36 59.40 1fex h GLU 37 Cb -0.03 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 1fex h GLU 37 CO -0.03 0.20 -1.30 -0.22 -2.18 0.00 0.00 179.01 175.48 1fex h LYS 38 N 0.31 0.00 -0.39 1.92 3.64 -1.15 -3.43 116.57 117.47 1fex h LYS 38 Ca 0.38 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 59.51 1fex h LYS 38 Cb 1.04 0.00 -0.17 0.00 -0.41 0.00 0.00 32.23 32.69 1fex h LYS 38 CO -0.11 0.26 -0.56 0.45 -2.27 0.00 0.00 179.45 177.22 1fex n SER 39 N -2.88 -2.64 -4.76 4.20 2.88 0.82 -5.11 113.62 106.12 1fex n SER 39 Ca -0.08 -3.18 -0.23 0.00 -1.33 0.00 0.00 58.87 54.06 1fex n SER 39 Cb 0.79 1.54 0.02 0.00 -0.75 0.00 0.00 64.21 65.81 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 1.83 2.48 0.03 -3.46 3.41 0.27 -4.49 113.62 113.70 1fex n SER 40 Ca 0.12 -2.71 -0.09 0.00 -0.26 0.00 0.00 58.87 55.93 1fex n SER 40 Cb 0.61 -0.16 -0.13 0.00 -0.26 0.00 0.00 64.21 64.27 1fex n SER 40 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1fex h LEU 41 N 0.00 0.07-10.05 1.04 7.12 -1.92 -3.47 115.31 108.09 1fex h LEU 41 Ca -0.31 -0.09 -0.67 0.00 0.13 0.00 0.00 57.88 56.94 1fex h LEU 41 Cb 1.22 -0.02 -0.12 0.00 -0.53 0.00 0.00 40.66 41.20 1fex h LEU 41 CO 0.48 1.07 -0.50 0.42 -0.13 0.00 0.00 178.44 179.78 1fex s THR 42 N -2.66 1.21 -0.76 1.05 -4.23 -1.26 -5.08 115.64 103.92 1fex s THR 42 Ca -0.02 -1.96 -0.19 0.00 -1.18 0.00 0.00 61.69 58.34 1fex s THR 42 Cb 0.09 -2.18 0.13 0.00 1.34 0.00 0.00 72.50 71.88 1fex s THR 42 CO 0.83 0.00 0.90 -1.10 -0.54 0.00 0.00 174.62 174.71 1fex s GLN 43 N -3.90 3.33 0.20 3.99 1.11 -1.26 -4.98 119.66 118.15 1fex s GLN 43 Ca 0.08 -1.58 -0.01 0.00 0.01 0.00 0.00 55.36 53.86 1fex s GLN 43 Cb 0.01 -4.51 0.01 0.00 -1.01 0.00 0.00 33.01 27.51 1fex s GLN 43 CO 0.04 -1.62 0.28 0.72 0.01 0.00 0.00 175.29 174.72 1fex n HIS 44 N 6.24 -1.03 -3.40 0.91 8.25 -1.26 -5.10 115.22 119.83 1fex n HIS 44 Ca 0.07 -1.30 0.00 0.00 -0.26 0.00 0.00 57.72 56.22 1fex n HIS 44 Cb 0.46 0.31 0.00 0.00 1.12 0.00 0.00 29.99 31.88 1fex n HIS 44 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1fex n SER 45 N -1.83 1.09 -0.09 0.41 3.41 -1.26 -4.59 113.62 110.75 1fex n SER 45 Ca 0.00 -0.86 -0.11 0.00 -0.26 0.00 0.00 58.87 57.64 1fex n SER 45 Cb 0.33 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.16 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 -0.39 0.00 0.30 7.33 4.27 -1.26 -4.06 117.44 123.62 1fex n TRP 46 Ca 0.00 0.00 -0.16 0.00 -3.89 0.00 0.00 57.50 53.45 1fex n TRP 46 Cb 0.00 -0.80 -0.08 0.00 -1.36 0.00 0.00 31.31 29.07 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 0.00 -0.88 -0.02 -2.67 4.20 -1.98 0.60 115.11 114.36 1fex h GLN 47 Ca -0.45 0.06 0.01 0.00 0.06 0.00 0.00 58.65 58.33 1fex h GLN 47 Cb 1.86 0.20 -0.00 0.00 0.30 0.00 0.00 27.48 29.84 1fex h GLN 47 CO -0.02 -0.59 0.02 1.03 -0.67 0.00 0.00 178.83 178.60 1fex h SER 48 N -0.91 0.00 0.07 1.46 0.87 -1.99 0.04 113.55 113.09 1fex h SER 48 Ca -0.07 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.49 1fex h SER 48 Cb 0.76 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.72 1fex h SER 48 CO 0.02 0.00 -0.03 0.25 -0.53 0.00 0.00 176.83 176.53 1fex h LEU 49 N 0.00 -0.07 -0.76 2.23 5.85 -1.50 -1.43 115.31 119.62 1fex h LEU 49 Ca 0.01 -0.40 -0.07 0.00 0.84 0.00 0.00 57.88 58.25 1fex h LEU 49 Cb 0.04 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 1fex h LEU 49 CO -0.00 0.38 0.14 0.50 -0.34 0.00 0.00 178.44 179.12 1fex h LYS 50 N -0.55 1.07 -0.68 1.25 3.11 0.66 -2.86 116.57 118.58 1fex h LYS 50 Ca -0.01 -0.26 -0.06 0.00 -2.81 0.00 0.00 60.65 57.51 1fex h LYS 50 Cb 0.47 -0.14 -0.03 0.00 -1.00 0.00 0.00 32.23 31.54 1fex h LYS 50 CO 0.01 0.96 0.20 0.22 -2.81 0.00 0.00 179.45 178.04 1fex h ASP 51 N 1.01 1.00 -0.99 4.20 1.82 -1.01 -2.88 116.42 119.58 1fex h ASP 51 Ca 0.21 -0.22 0.01 0.00 -0.39 0.00 0.00 57.03 56.64 1fex h ASP 51 Cb 0.39 -0.26 -0.05 0.00 0.68 0.00 0.00 39.33 40.09 1fex h ASP 51 CO 0.01 0.96 0.66 -0.09 -1.61 0.00 0.00 179.24 179.16 1fex h ARG 52 N 1.00 1.30 -0.20 0.28 9.65 -1.04 0.81 114.38 126.19 1fex h ARG 52 Ca 0.22 -0.08 0.01 0.00 -1.10 0.00 0.00 59.98 59.03 1fex h ARG 52 Cb 0.32 -0.29 -0.02 0.00 -1.39 0.00 0.00 29.97 28.59 1fex h ARG 52 CO -0.00 0.86 0.10 -0.92 2.80 0.00 0.00 179.97 182.81 1fex h TYR 53 N 1.34 0.19 0.00 2.20 3.20 -1.35 -2.57 116.97 119.99 1fex h TYR 53 Ca 0.36 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.16 1fex h TYR 53 Cb -0.16 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.05 1fex h TYR 53 CO -0.00 0.11 -0.41 -0.07 -1.64 0.00 0.00 178.16 176.15 1fex h LEU 54 N 0.22 0.00 0.47 2.82 3.38 -1.41 -1.88 115.31 118.91 1fex h LEU 54 Ca 0.08 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1fex h LEU 54 Cb 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1fex h LEU 54 CO -0.05 0.37 -0.34 0.11 0.09 0.00 0.00 178.44 178.62 1fex h LYS 55 N 0.00 -0.77 0.00 1.13 1.79 0.10 -3.42 116.57 115.41 1fex h LYS 55 Ca -0.01 0.05 -0.16 0.00 -2.18 0.00 0.00 60.65 58.36 1fex h LYS 55 Cb 1.29 0.17 -0.13 0.00 -1.58 0.00 0.00 32.23 31.98 1fex h LYS 55 CO 0.05 -0.51 -0.24 -2.39 -1.08 0.00 0.00 179.45 175.28 1fex n HIS 56 N -5.47 -1.88 0.02 -1.35 1.44 -1.11 -5.02 115.22 101.85 1fex n HIS 56 Ca -0.11 -1.54 -0.01 0.00 -2.01 0.00 0.00 57.72 54.05 1fex n HIS 56 Cb 0.36 1.46 -0.00 0.00 0.12 0.00 0.00 29.99 31.93 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 -1.19 0.72 -4.53 2.39 4.77 -0.94 -5.04 117.00 113.17 1fex n LEU 57 Ca -0.14 0.10 -0.29 0.00 -0.03 0.00 0.00 56.01 55.65 1fex n LEU 57 Cb 0.83 -0.26 0.23 0.00 -2.33 0.00 0.00 43.42 41.89 1fex n LEU 57 CO -0.13 -0.62 0.56 0.00 -1.33 0.00 0.00 177.39 175.88 1fex s ARG 58 N -1.66 -0.45 0.00 3.23 1.70 -0.75 -5.06 118.95 115.96 1fex s ARG 58 Ca -0.02 1.05 0.00 0.00 -0.47 0.00 0.00 55.73 56.28 1fex s ARG 58 Cb 0.00 -1.59 0.00 0.00 -0.57 0.00 0.00 34.95 32.79 1fex s ARG 58 CO 0.03 -3.47 0.00 0.41 -1.08 0.00 0.00 175.30 171.19