#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 1.71 -0.44 1.61 3.00 -1.26 -5.02 118.95 118.55 1fex s ARG 2 Ca 0.00 -0.58 0.04 0.00 0.00 0.00 0.00 55.73 55.19 1fex s ARG 2 Cb 0.00 -1.49 0.64 0.00 0.00 0.00 0.00 34.95 34.10 1fex s ARG 2 CO 0.00 0.23 1.86 1.51 0.00 0.00 0.00 175.30 178.90 1fex n ILE 3 N 3.15 3.14 -4.12 1.52 0.13 -1.26 -4.83 119.36 117.10 1fex n ILE 3 Ca -0.18 -2.09 -0.15 0.00 -1.10 0.00 0.00 62.75 59.22 1fex n ILE 3 Cb 0.53 -0.48 -0.02 0.00 -0.84 0.00 0.00 39.64 38.83 1fex n ILE 3 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 1fex n ALA 4 N -1.13 0.30 -3.53 1.51 0.00 -1.26 -5.12 120.51 111.27 1fex n ALA 4 Ca 0.56 -1.14 -0.29 0.00 0.00 0.00 0.00 53.44 52.58 1fex n ALA 4 Cb 1.54 0.56 -0.13 0.00 0.00 0.00 0.00 19.45 21.43 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 -1.71 0.85 0.85 0.00 0.08 -1.26 -5.02 117.98 111.77 1fex s PHE 5 Ca 0.06 -1.57 -0.14 0.00 0.12 0.00 0.00 56.93 55.40 1fex s PHE 5 Cb -0.00 -1.08 0.20 0.00 -0.57 0.00 0.00 43.02 41.56 1fex s PHE 5 CO 0.04 -0.83 1.09 0.25 -0.10 0.00 0.00 175.22 175.67 1fex n THR 6 N 4.29 0.00 0.25 0.64 -2.24 -1.26 -4.72 114.28 111.24 1fex n THR 6 Ca 0.07 -0.76 0.08 0.00 -2.27 0.00 0.00 64.05 61.16 1fex n THR 6 Cb 0.38 -1.54 0.63 0.00 -2.10 0.00 0.00 70.33 67.70 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 -1.60 0.00 -0.03 3.42 5.19 -2.00 -1.85 116.42 119.55 1fex h ASP 7 Ca -0.36 0.00 -0.12 0.00 -0.62 0.00 0.00 57.03 55.93 1fex h ASP 7 Cb 1.00 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.52 1fex h ASP 7 CO 0.25 0.04 -0.44 0.00 -3.12 0.00 0.00 179.24 175.97 1fex h ALA 8 N 1.96 0.10 -0.70 3.45 0.00 -2.00 -3.00 119.26 119.07 1fex h ALA 8 Ca -0.00 -0.50 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 1fex h ALA 8 Cb 0.08 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1fex h ALA 8 CO 0.01 0.26 0.36 -0.44 0.00 0.00 0.00 179.25 179.43 1fex h ASP 9 N -0.16 0.90 -0.98 0.00 5.19 -1.80 -0.87 116.42 118.69 1fex h ASP 9 Ca -0.05 -0.12 0.02 0.00 -0.62 0.00 0.00 57.03 56.27 1fex h ASP 9 Cb 1.13 -0.23 -0.05 0.00 0.18 0.00 0.00 39.33 40.36 1fex h ASP 9 CO 0.09 0.76 0.65 0.44 -3.12 0.00 0.00 179.24 178.06 1fex h ASP 10 N 0.98 1.09 -0.20 6.45 5.19 -1.41 0.15 116.42 128.66 1fex h ASP 10 Ca 0.24 -0.02 -0.13 0.00 -0.62 0.00 0.00 57.03 56.50 1fex h ASP 10 Cb 0.08 -0.26 0.00 0.00 0.18 0.00 0.00 39.33 39.33 1fex h ASP 10 CO -0.03 0.77 -0.40 0.58 -3.12 0.00 0.00 179.24 177.04 1fex h VAL 11 N 1.28 1.32 -0.13 -1.35 2.07 -1.30 -0.56 116.25 117.58 1fex h VAL 11 Ca 0.38 -1.62 -0.01 0.00 0.82 0.00 0.00 66.70 66.27 1fex h VAL 11 Cb -0.07 1.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 1fex h VAL 11 CO -0.10 0.50 0.05 0.00 0.02 0.00 0.00 177.57 178.04 1fex h ALA 12 N 0.60 0.17 0.00 1.67 0.00 -0.71 0.22 119.26 121.21 1fex h ALA 12 Ca 0.01 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1fex h ALA 12 Cb 1.00 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.73 1fex h ALA 12 CO 0.09 -0.23 -0.15 0.82 0.00 0.00 0.00 179.25 179.77 1fex h ILE 13 N 0.04 0.47 0.00 0.00 2.04 -0.76 -2.39 117.51 116.91 1fex h ILE 13 Ca 0.04 -0.81 0.00 0.00 1.00 0.00 0.00 64.86 65.09 1fex h ILE 13 Cb 0.19 1.57 0.00 0.00 -0.74 0.00 0.00 36.82 37.84 1fex h ILE 13 CO -0.00 0.15 -0.08 0.25 0.00 0.00 0.00 178.15 178.47 1fex h LEU 14 N 0.00 0.00 -2.00 1.44 5.85 -0.59 -2.91 115.31 117.10 1fex h LEU 14 Ca -0.00 0.00 0.17 0.00 0.84 0.00 0.00 57.88 58.89 1fex h LEU 14 Cb 0.55 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 1fex h LEU 14 CO 0.02 0.52 0.44 0.00 -0.34 0.00 0.00 178.44 179.08 1fex h THR 15 N -0.95 0.67 -0.06 1.05 1.03 -0.63 0.60 112.91 114.63 1fex h THR 15 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 66.41 66.28 1fex h THR 15 Cb 0.08 0.69 0.01 0.00 -1.07 0.00 0.00 68.15 67.86 1fex h THR 15 CO 0.00 0.00 -0.44 0.22 -0.01 0.00 0.00 175.52 175.29 1fex h TYR 16 N 0.00 0.55 -0.07 0.00 5.03 -1.55 -2.14 116.97 118.79 1fex h TYR 16 Ca 0.28 -0.26 -0.08 0.00 2.58 0.00 0.00 58.73 61.26 1fex h TYR 16 Cb 1.16 -0.08 0.00 0.00 1.55 0.00 0.00 36.73 39.37 1fex h TYR 16 CO 0.00 1.03 -0.26 0.28 -1.32 0.00 0.00 178.16 177.90 1fex h VAL 17 N -0.09 1.42 0.00 1.81 2.07 -0.99 -1.37 116.25 119.10 1fex h VAL 17 Ca -0.04 -1.64 -0.01 0.00 0.82 0.00 0.00 66.70 65.84 1fex h VAL 17 Cb 1.11 2.28 -0.00 0.00 -1.52 0.00 0.00 31.29 33.16 1fex h VAL 17 CO 0.09 0.47 -0.03 0.50 0.02 0.00 0.00 177.57 178.62 1fex h LYS 18 N -0.19 0.00 0.11 1.57 3.64 0.05 0.37 116.57 122.13 1fex h LYS 18 Ca -0.01 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.08 1fex h LYS 18 Cb 0.89 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.70 1fex h LYS 18 CO 0.05 0.03 -1.48 0.93 -2.27 0.00 0.00 179.45 176.71 1fex h GLU 19 N 0.00 0.23 0.00 1.90 4.39 -1.30 -3.43 114.58 116.37 1fex h GLU 19 Ca -0.00 -0.40 0.00 0.00 0.34 0.00 0.00 59.36 59.30 1fex h GLU 19 Cb 0.07 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 1fex h GLU 19 CO 0.00 1.19 -0.44 0.09 -1.16 0.00 0.00 179.01 178.69 1fex n ASN 20 N -3.90 1.32 -4.54 1.42 3.02 -0.52 -4.76 115.26 107.29 1fex n ASN 20 Ca -0.26 0.46 -0.15 0.00 -0.03 0.00 0.00 54.58 54.60 1fex n ASN 20 Cb 0.91 -0.75 -0.11 0.00 -0.61 0.00 0.00 39.78 39.23 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 -3.39 0.49 0.00 5.41 0.00 0.13 -4.50 120.51 118.65 1fex n ALA 21 Ca -0.06 -1.33 0.00 0.00 0.00 0.00 0.00 53.44 52.05 1fex n ALA 21 Cb 0.23 -3.05 0.00 0.00 0.00 0.00 0.00 19.45 16.63 1fex n ALA 21 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1fex n ARG 22 N 8.00 0.82 -3.92 0.00 1.85 -1.26 -4.62 116.66 117.52 1fex n ARG 22 Ca 0.50 0.00 -0.21 0.00 -1.00 0.00 0.00 57.85 57.14 1fex n ARG 22 Cb 0.37 -0.93 -0.03 0.00 -1.05 0.00 0.00 32.46 30.82 1fex n ARG 22 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 1fex s SER 23 N -1.74 5.66 -1.33 2.89 1.04 -1.26 -4.99 113.70 113.96 1fex s SER 23 Ca 0.00 -0.25 -0.10 0.00 0.48 0.00 0.00 55.95 56.08 1fex s SER 23 Cb 0.00 -1.34 -0.07 0.00 0.10 0.00 0.00 66.02 64.71 1fex s SER 23 CO 0.00 -0.18 2.54 -0.81 0.98 0.00 0.00 173.24 175.76 1fex n PRO 24 N -1.34 2.95 0.00 4.02 -0.04 -1.26 -3.61 135.00 135.73 1fex n PRO 24 Ca -0.05 -2.01 0.00 0.00 -0.04 0.00 0.00 63.50 61.40 1fex n PRO 24 Cb 0.58 -2.77 0.00 0.00 -0.04 0.00 0.00 33.50 31.27 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 4.39 0.00 0.48 3.54 2.88 -1.26 -4.86 113.62 118.78 1fex n SER 25 Ca 0.63 0.00 -0.19 0.00 -1.33 0.00 0.00 58.87 57.98 1fex n SER 25 Cb 0.23 0.25 -0.09 0.00 -0.75 0.00 0.00 64.21 63.85 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 -1.07 -0.22 -3.46 0.02 -1.90 0.90 113.55 107.81 1fex h SER 26 Ca 0.00 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 1fex h SER 26 Cb 0.00 0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 1fex h SER 26 CO 0.00 -0.74 0.15 -0.37 -1.14 0.00 0.00 176.83 174.72 1fex h VAL 27 N -1.22 1.06 0.00 2.27 -1.51 -1.93 -2.01 116.25 112.90 1fex h VAL 27 Ca -0.12 -0.11 -0.19 0.00 -1.23 0.00 0.00 66.70 65.05 1fex h VAL 27 Cb 0.94 0.73 -0.03 0.00 -2.13 0.00 0.00 31.29 30.81 1fex h VAL 27 CO 0.19 0.06 -0.92 0.74 -1.23 0.00 0.00 177.57 176.40 1fex h THR 28 N 0.30 1.48 -3.33 7.19 2.02 -1.83 -3.46 112.91 115.27 1fex h THR 28 Ca 0.08 -3.12 0.00 0.00 0.77 0.00 0.00 66.41 64.15 1fex h THR 28 Cb -0.03 2.73 0.00 0.00 -1.74 0.00 0.00 68.15 69.11 1fex h THR 28 CO -0.02 0.84 0.00 0.61 0.37 0.00 0.00 175.52 177.33 1fex n GLY 29 N 1.33 1.41 0.77 2.16 0.00 0.31 -5.04 105.19 106.13 1fex n GLY 29 Ca -0.00 -2.02 0.06 0.00 0.00 0.00 0.00 46.02 44.05 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 -2.03 1.57 -0.09 1.61 3.02 -1.26 -4.80 115.26 113.27 1fex n ASN 30 Ca 0.00 -3.48 -0.14 0.00 -0.03 0.00 0.00 54.58 50.92 1fex n ASN 30 Cb 0.00 -0.48 -0.07 0.00 -0.61 0.00 0.00 39.78 38.62 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 -0.79 0.67 -0.22 5.41 0.00 -1.26 -2.66 120.51 121.66 1fex n ALA 31 Ca 0.16 -0.51 0.10 0.00 0.00 0.00 0.00 53.44 53.19 1fex n ALA 31 Cb 0.78 -0.25 0.39 0.00 0.00 0.00 0.00 19.45 20.37 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 0.62 -0.05 0.00 5.85 -1.87 0.23 115.31 119.09 1fex h LEU 32 Ca -0.21 0.02 -0.12 0.00 0.84 0.00 0.00 57.88 58.42 1fex h LEU 32 Cb 0.97 -0.10 0.01 0.00 0.37 0.00 0.00 40.66 41.90 1fex h LEU 32 CO -0.13 0.35 -0.43 -0.50 -0.34 0.00 0.00 178.44 177.40 1fex h TRP 33 N 0.68 0.53 -0.82 1.25 4.06 -1.86 -2.91 115.95 116.88 1fex h TRP 33 Ca 0.38 -0.25 0.02 0.00 2.06 0.00 0.00 58.89 61.10 1fex h TRP 33 Cb 0.55 -0.07 -0.04 0.00 -1.00 0.00 0.00 29.16 28.60 1fex h TRP 33 CO -0.00 1.03 0.54 0.87 -3.56 0.00 0.00 178.44 177.31 1fex h LYS 34 N -0.13 1.04 -0.48 0.49 1.57 -1.06 -1.20 116.57 116.80 1fex h LYS 34 Ca -0.04 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1fex h LYS 34 Cb 1.11 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 33.17 1fex h LYS 34 CO 0.09 0.69 0.31 0.00 -0.57 0.00 0.00 179.45 179.97 1fex h ALA 35 N 1.32 1.65 -0.41 3.86 0.00 -0.61 -1.69 119.26 123.38 1fex h ALA 35 Ca 0.31 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 55.04 1fex h ALA 35 Cb -0.06 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1fex h ALA 35 CO -0.09 0.32 -0.32 1.98 0.00 0.00 0.00 179.25 181.15 1fex h MET 36 N 0.65 0.92 -0.88 0.00 1.85 -1.04 -2.79 114.93 113.65 1fex h MET 36 Ca 0.18 -0.45 0.16 0.00 -0.61 0.00 0.00 59.70 58.98 1fex h MET 36 Cb -0.07 -0.00 -0.07 0.00 0.43 0.00 0.00 31.60 31.89 1fex h MET 36 CO -0.04 1.10 0.57 1.49 -0.40 0.00 0.00 176.91 179.64 1fex h GLU 37 N 0.77 0.55 0.00 0.39 4.81 -0.53 1.10 114.58 121.67 1fex h GLU 37 Ca 0.08 -0.03 -0.20 0.00 -0.13 0.00 0.00 59.36 59.07 1fex h GLU 37 Cb 0.90 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.13 1fex h GLU 37 CO 0.08 0.36 -0.96 0.87 -0.73 0.00 0.00 179.01 178.63 1fex h LYS 38 N 0.57 0.00 -1.53 1.92 1.57 -1.40 -3.39 116.57 114.31 1fex h LYS 38 Ca 0.45 -0.00 -0.45 0.00 -1.87 0.00 0.00 60.65 58.78 1fex h LYS 38 Cb 0.88 0.00 -0.34 0.00 0.08 0.00 0.00 32.23 32.86 1fex h LYS 38 CO -0.19 0.96 -0.99 0.43 -0.57 0.00 0.00 179.45 179.09 1fex n SER 39 N -3.40 -0.21 -4.96 0.86 7.64 -0.09 -5.13 113.62 108.33 1fex n SER 39 Ca -0.00 -3.02 -0.23 0.00 1.01 0.00 0.00 58.87 56.63 1fex n SER 39 Cb 0.91 -0.03 0.04 0.00 -1.01 0.00 0.00 64.21 64.11 1fex n SER 39 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1fex s SER 40 N -1.76 5.34 0.03 6.43 0.15 0.36 -4.74 113.70 119.51 1fex s SER 40 Ca 0.35 0.21 0.09 0.00 0.70 0.00 0.00 55.95 57.30 1fex s SER 40 Cb 0.27 -1.14 -0.23 0.00 -1.71 0.00 0.00 66.02 63.21 1fex s SER 40 CO -0.11 -1.13 0.93 0.25 1.20 0.00 0.00 173.24 174.39 1fex h LEU 41 N -0.01 0.03 0.00 3.45 6.46 -1.94 -3.48 115.31 119.83 1fex h LEU 41 Ca -0.44 -0.05 0.00 0.00 -0.12 0.00 0.00 57.88 57.27 1fex h LEU 41 Cb 1.29 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 41.21 1fex h LEU 41 CO 0.56 1.04 0.00 0.41 -0.62 0.00 0.00 178.44 179.83 1fex n THR 42 N -3.21 0.00 -3.96 1.05 -1.04 -1.26 -5.11 114.28 100.76 1fex n THR 42 Ca -0.10 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.58 1fex n THR 42 Cb 1.00 -0.09 -0.14 0.00 -1.82 0.00 0.00 70.33 69.29 1fex n THR 42 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 1fex s GLN 43 N 1.91 1.85 -0.04 -2.82 1.11 -1.26 -5.07 119.66 115.33 1fex s GLN 43 Ca 0.00 -1.70 -0.29 0.00 0.01 0.00 0.00 55.36 53.38 1fex s GLN 43 Cb 0.00 -3.24 0.09 0.00 -1.01 0.00 0.00 33.01 28.85 1fex s GLN 43 CO 0.00 -0.87 0.80 -1.01 0.01 0.00 0.00 175.29 174.23 1fex s HIS 44 N 1.03 -0.49 0.31 0.91 3.76 -1.26 -4.48 115.29 115.08 1fex s HIS 44 Ca 0.05 0.67 -0.05 0.00 -0.15 0.00 0.00 55.06 55.58 1fex s HIS 44 Cb -0.20 0.47 0.07 0.00 1.11 0.00 0.00 32.58 34.03 1fex s HIS 44 CO -0.06 -0.55 0.37 -1.13 -0.85 0.00 0.00 174.74 172.51 1fex n SER 45 N 0.42 -0.46 -0.02 1.40 3.41 -1.26 -4.69 113.62 112.43 1fex n SER 45 Ca -0.14 -0.98 -0.13 0.00 -0.26 0.00 0.00 58.87 57.36 1fex n SER 45 Cb 0.59 -0.30 -0.14 0.00 -0.26 0.00 0.00 64.21 64.11 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 -2.77 0.97 -0.01 7.33 4.27 -1.26 -4.02 117.44 121.94 1fex n TRP 46 Ca 0.05 0.29 -0.12 0.00 -3.89 0.00 0.00 57.50 53.83 1fex n TRP 46 Cb 0.17 -1.16 -0.08 0.00 -1.36 0.00 0.00 31.31 28.89 1fex n TRP 46 CO 0.00 0.00 0.00 0.37 -2.29 0.00 0.00 177.69 175.77 1fex h GLN 47 N 0.02 0.09 -0.23 -2.67 4.15 -1.94 -0.31 115.11 114.23 1fex h GLN 47 Ca -0.36 -0.03 0.07 0.00 0.77 0.00 0.00 58.65 59.10 1fex h GLN 47 Cb 2.04 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 29.70 1fex h GLN 47 CO 0.07 0.33 0.21 1.03 -1.93 0.00 0.00 178.83 178.54 1fex h SER 48 N -0.15 0.00 0.40 -0.69 0.87 -1.97 0.48 113.55 112.48 1fex h SER 48 Ca 0.02 0.00 -0.32 0.00 -1.23 0.00 0.00 61.79 60.26 1fex h SER 48 Cb 0.28 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.23 1fex h SER 48 CO 0.00 0.00 -1.61 -0.07 -0.53 0.00 0.00 176.83 174.62 1fex h LEU 49 N 0.00 0.39 -0.09 2.23 3.38 -1.62 -3.05 115.31 116.55 1fex h LEU 49 Ca 0.11 -0.58 -0.24 0.00 0.09 0.00 0.00 57.88 57.25 1fex h LEU 49 Cb 0.53 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 41.16 1fex h LEU 49 CO -0.00 1.49 -0.94 0.50 0.09 0.00 0.00 178.44 179.58 1fex h LYS 50 N 0.07 0.67 -0.01 1.13 3.11 0.18 -2.81 116.57 118.90 1fex h LYS 50 Ca -0.27 -0.66 -0.00 0.00 -2.81 0.00 0.00 60.65 56.91 1fex h LYS 50 Cb 2.03 0.17 -0.00 0.00 -1.00 0.00 0.00 32.23 33.43 1fex h LYS 50 CO 0.15 1.26 -0.00 0.22 -2.81 0.00 0.00 179.45 178.26 1fex h ASP 51 N 0.40 0.03 0.09 4.20 1.82 -0.24 -2.94 116.42 119.79 1fex h ASP 51 Ca -0.10 -0.34 -0.02 0.00 -0.39 0.00 0.00 57.03 56.19 1fex h ASP 51 Cb 1.58 -0.01 -0.00 0.00 0.68 0.00 0.00 39.33 41.58 1fex h ASP 51 CO 0.18 0.36 -0.08 -0.09 -1.61 0.00 0.00 179.24 178.00 1fex h ARG 52 N -0.31 0.00 0.55 0.28 1.12 -1.63 -0.06 114.38 114.33 1fex h ARG 52 Ca 0.00 0.00 -0.03 0.00 -1.11 0.00 0.00 59.98 58.85 1fex h ARG 52 Cb 0.35 0.00 0.01 0.00 -0.01 0.00 0.00 29.97 30.31 1fex h ARG 52 CO 0.00 0.08 -0.26 -0.92 -3.11 0.00 0.00 179.97 175.76 1fex h TYR 53 N 0.00 -0.68 0.00 2.20 3.20 -1.32 -2.81 116.97 117.55 1fex h TYR 53 Ca -0.00 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.85 1fex h TYR 53 Cb 0.15 0.23 -0.00 0.00 1.54 0.00 0.00 36.73 38.65 1fex h TYR 53 CO 0.00 -0.42 -0.03 -0.07 -1.64 0.00 0.00 178.16 175.99 1fex h LEU 54 N -0.84 0.00 0.24 2.82 3.38 -1.47 0.32 115.31 119.76 1fex h LEU 54 Ca -0.08 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1fex h LEU 54 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1fex h LEU 54 CO 0.12 0.03 -0.11 0.11 0.09 0.00 0.00 178.44 178.68 1fex h LYS 55 N 0.00 -0.30 -0.08 1.13 1.57 -0.87 -3.42 116.57 114.60 1fex h LYS 55 Ca -0.00 0.02 -0.19 0.00 -1.87 0.00 0.00 60.65 58.61 1fex h LYS 55 Cb 0.38 0.07 -0.19 0.00 0.08 0.00 0.00 32.23 32.57 1fex h LYS 55 CO 0.00 -0.09 -0.42 -2.39 -0.57 0.00 0.00 179.45 175.99 1fex n HIS 56 N -5.16 -1.54 0.00 -1.35 1.44 -1.07 -4.96 115.22 102.58 1fex n HIS 56 Ca -0.09 -1.81 0.00 0.00 -2.01 0.00 0.00 57.72 53.81 1fex n HIS 56 Cb 0.20 1.27 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 -1.34 0.18 -4.55 2.39 4.77 0.12 -5.00 117.00 113.56 1fex n LEU 57 Ca -0.13 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.55 1fex n LEU 57 Cb 0.87 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.91 1fex n LEU 57 CO -0.11 -0.19 1.80 -1.14 -1.33 0.00 0.00 177.39 176.42 1fex n ARG 58 N -2.08 0.88 0.00 3.23 0.00 0.90 -5.00 116.66 114.59 1fex n ARG 58 Ca 0.00 -0.25 0.00 0.00 -0.00 0.00 0.00 57.85 57.60 1fex n ARG 58 Cb 0.06 -3.48 0.00 0.00 0.00 0.00 0.00 32.46 29.03 1fex n ARG 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04