#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rf2 s PRO 2 N 0.00 2.76 0.01 -2.82 0.04 -1.26 -4.93 135.00 128.80 1rf2 s PRO 2 Ca 0.00 1.86 0.23 0.00 0.04 0.00 0.00 61.00 63.12 1rf2 s PRO 2 Cb 0.00 -1.90 0.03 0.00 0.04 0.00 0.00 34.50 32.67 1rf2 s PRO 2 CO 0.00 -1.38 1.05 1.04 0.04 0.00 0.00 177.00 177.75 1rf2 n GLN 3 N -1.84 0.09 -3.85 4.56 1.13 -1.26 -4.97 117.38 111.24 1rf2 n GLN 3 Ca 0.14 -0.01 -0.07 0.00 -1.94 0.00 0.00 57.00 55.12 1rf2 n GLN 3 Cb 0.49 -1.52 -0.02 0.00 0.11 0.00 0.00 30.24 29.30 1rf2 n GLN 3 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1rf2 s ASN 4 N -3.26 -0.26 0.37 1.08 2.20 -1.26 -5.06 114.94 108.76 1rf2 s ASN 4 Ca 0.07 -0.61 0.09 0.00 -0.94 0.00 0.00 52.86 51.47 1rf2 s ASN 4 Cb 0.16 0.71 0.72 0.00 -2.00 0.00 0.00 41.25 40.84 1rf2 s ASN 4 CO 0.81 -1.30 1.87 -0.29 -2.94 0.00 0.00 177.10 175.25 1rf2 h ILE 5 N 2.03 1.20 -0.22 0.54 2.10 -1.96 -1.94 117.51 119.26 1rf2 h ILE 5 Ca -0.21 -0.93 -0.05 0.00 1.08 0.00 0.00 64.86 64.76 1rf2 h ILE 5 Cb 1.25 1.31 -0.01 0.00 -1.09 0.00 0.00 36.82 38.29 1rf2 h ILE 5 CO 0.25 0.28 -0.04 0.74 -1.08 0.00 0.00 178.15 178.30 1rf2 h THR 6 N 0.21 1.28 -0.47 2.19 2.02 -1.99 0.71 112.91 116.86 1rf2 h THR 6 Ca 0.04 -1.02 -0.10 0.00 0.77 0.00 0.00 66.41 66.10 1rf2 h THR 6 Cb 0.46 1.49 -0.02 0.00 -1.74 0.00 0.00 68.15 68.34 1rf2 h THR 6 CO 0.03 0.31 -0.10 0.44 0.37 0.00 0.00 175.52 176.57 1rf2 h ASP 7 N 0.17 0.86 -0.10 4.18 3.32 -1.94 -2.14 116.42 120.77 1rf2 h ASP 7 Ca 0.06 -0.26 -0.00 0.00 0.02 0.00 0.00 57.03 56.84 1rf2 h ASP 7 Cb 0.49 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 39.80 1rf2 h ASP 7 CO 0.02 0.98 0.05 0.25 -1.72 0.00 0.00 179.24 178.82 1rf2 h LEU 8 N 0.78 0.12 -1.07 1.55 6.46 -1.17 -2.89 115.31 119.10 1rf2 h LEU 8 Ca 0.13 -0.10 0.09 0.00 -0.12 0.00 0.00 57.88 57.88 1rf2 h LEU 8 Cb 0.62 -0.03 -0.07 0.00 -0.73 0.00 0.00 40.66 40.44 1rf2 h LEU 8 CO 0.04 0.18 0.62 0.00 -0.62 0.00 0.00 178.44 178.67 1rf2 h ALA 10 N 1.51 1.00 0.00 0.00 0.00 -1.17 -2.21 119.26 118.39 1rf2 h ALA 10 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1rf2 h ALA 10 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1rf2 h ALA 10 CO -0.20 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.44 1rf2 n GLU 11 N -2.45 0.05 -5.05 0.00 1.02 -0.64 -4.80 120.64 108.77 1rf2 n GLU 11 Ca 0.01 0.22 -0.32 0.00 -0.02 0.00 0.00 57.16 57.05 1rf2 n GLU 11 Cb 0.20 -1.58 -0.14 0.00 -0.02 0.00 0.00 31.44 29.90 1rf2 n GLU 11 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1rf2 s TYR 12 N -3.06 2.50 0.61 -0.32 1.51 -0.83 -5.13 117.35 112.63 1rf2 s TYR 12 Ca 0.08 -0.31 -0.16 0.00 -1.01 0.00 0.00 57.07 55.68 1rf2 s TYR 12 Cb 0.12 -1.54 -0.03 0.00 -0.11 0.00 0.00 41.96 40.40 1rf2 s TYR 12 CO 0.37 0.09 1.07 -1.01 -1.11 0.00 0.00 175.55 174.96 1rf2 s HIS 13 N -0.71 2.88 -1.47 2.71 3.76 -1.26 -4.13 115.29 117.07 1rf2 s HIS 13 Ca 0.11 1.52 -0.03 0.00 -0.15 0.00 0.00 55.06 56.51 1rf2 s HIS 13 Cb -0.10 -3.06 0.00 0.00 1.11 0.00 0.00 32.58 30.53 1rf2 s HIS 13 CO 0.00 -1.28 0.45 0.09 -0.85 0.00 0.00 174.74 173.16 1rf2 n ASN 14 N -2.13 -5.72 -4.56 1.40 5.03 -1.26 -4.98 115.26 103.03 1rf2 n ASN 14 Ca 0.09 -0.22 -0.26 0.00 0.87 0.00 0.00 54.58 55.06 1rf2 n ASN 14 Cb 0.53 -4.59 -0.10 0.00 -1.02 0.00 0.00 39.78 34.59 1rf2 n ASN 14 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1rf2 s THR 15 N -3.10 2.23 0.14 3.41 -4.23 -1.26 -1.37 115.64 111.47 1rf2 s THR 15 Ca 0.22 -2.15 -0.14 0.00 -1.18 0.00 0.00 61.69 58.44 1rf2 s THR 15 Cb -0.10 -2.71 0.02 0.00 1.34 0.00 0.00 72.50 71.05 1rf2 s THR 15 CO 0.28 -0.17 0.37 0.00 -0.54 0.00 0.00 174.62 174.56 1rf2 s GLN 16 N -3.63 1.11 -0.06 3.99 -2.07 -0.13 -4.84 119.66 114.02 1rf2 s GLN 16 Ca 0.33 -0.86 -0.14 0.00 -1.82 0.00 0.00 55.36 52.87 1rf2 s GLN 16 Cb 0.03 0.44 -0.05 0.00 -1.09 0.00 0.00 33.01 32.35 1rf2 s GLN 16 CO 0.17 -0.43 0.36 0.42 -1.32 0.00 0.00 175.29 174.50 1rf2 s ILE 17 N -3.85 5.16 -0.17 3.63 -1.09 -1.26 -1.40 121.20 122.22 1rf2 s ILE 17 Ca 0.07 0.72 -0.03 0.00 -2.23 0.00 0.00 60.65 59.18 1rf2 s ILE 17 Cb 0.02 -3.68 -0.02 0.00 -1.58 0.00 0.00 42.46 37.20 1rf2 s ILE 17 CO -0.08 0.51 -0.04 -1.00 -1.23 0.00 0.00 174.94 173.09 1rf2 s HIS 18 N -0.49 2.98 -0.34 3.97 3.76 -0.06 -4.99 115.29 120.11 1rf2 s HIS 18 Ca 0.22 -0.51 -0.13 0.00 -0.15 0.00 0.00 55.06 54.48 1rf2 s HIS 18 Cb -0.15 -2.00 -0.02 0.00 1.11 0.00 0.00 32.58 31.52 1rf2 s HIS 18 CO 0.10 -0.21 0.24 0.99 -0.85 0.00 0.00 174.74 175.01 1rf2 s THR 19 N 0.73 5.28 -0.20 1.30 2.01 -1.26 -1.04 115.64 122.46 1rf2 s THR 19 Ca -0.02 -0.22 -0.05 0.00 0.31 0.00 0.00 61.69 61.71 1rf2 s THR 19 Cb -0.15 -3.72 -0.11 0.00 0.01 0.00 0.00 72.50 68.54 1rf2 s THR 19 CO 0.02 -0.02 -0.23 0.18 -0.69 0.00 0.00 174.62 173.88 1rf2 n LEU 20 N 5.11 2.14 -4.13 4.42 7.99 -0.06 -5.02 117.00 127.46 1rf2 n LEU 20 Ca -0.13 0.10 -0.31 0.00 -0.01 0.00 0.00 56.01 55.66 1rf2 n LEU 20 Cb 0.50 -0.65 -0.05 0.00 -0.11 0.00 0.00 43.42 43.11 1rf2 n LEU 20 CO 0.37 0.61 -0.34 0.59 -1.51 0.00 0.00 177.39 177.11 1rf2 n ASN 21 N -3.56 -0.46 -3.55 -1.43 3.02 -0.08 -4.95 115.26 104.26 1rf2 n ASN 21 Ca -0.39 -1.18 -0.14 0.00 -0.03 0.00 0.00 54.58 52.85 1rf2 n ASN 21 Cb 0.83 -2.18 -0.05 0.00 -0.61 0.00 0.00 39.78 37.77 1rf2 n ASN 21 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1rf2 s ASP 22 N -4.22 -0.48 0.77 6.41 2.15 -0.79 -4.90 116.67 115.61 1rf2 s ASP 22 Ca 0.09 0.19 -0.11 0.00 0.43 0.00 0.00 52.55 53.15 1rf2 s ASP 22 Cb -0.04 0.51 0.05 0.00 -0.30 0.00 0.00 42.92 43.14 1rf2 s ASP 22 CO 0.95 -0.75 1.08 -1.59 -0.17 0.00 0.00 175.17 174.69 1rf2 s LYS 23 N -2.57 2.30 0.11 4.34 -2.85 -1.26 -0.61 119.74 119.19 1rf2 s LYS 23 Ca -0.05 0.93 -0.30 0.00 -1.00 0.00 0.00 55.97 55.55 1rf2 s LYS 23 Cb -0.01 -1.92 -0.07 0.00 -2.06 0.00 0.00 37.83 33.78 1rf2 s LYS 23 CO -0.03 -1.54 1.20 0.42 0.10 0.00 0.00 175.35 175.50 1rf2 s ILE 24 N -3.01 3.85 -0.01 3.79 1.01 -1.26 -4.71 121.20 120.85 1rf2 s ILE 24 Ca 0.60 1.41 -0.19 0.00 0.00 0.00 0.00 60.65 62.47 1rf2 s ILE 24 Cb -0.16 -3.90 -0.33 0.00 0.01 0.00 0.00 42.46 38.08 1rf2 s ILE 24 CO 0.55 0.15 0.95 0.15 0.00 0.00 0.00 174.94 176.75 1rf2 h PHE 25 N 6.20 0.74 -3.70 3.97 3.57 -1.04 -3.48 116.94 123.20 1rf2 h PHE 25 Ca -0.43 -0.53 -0.16 0.00 3.53 0.00 0.00 57.97 60.38 1rf2 h PHE 25 Cb 1.21 -0.03 -0.21 0.00 2.79 0.00 0.00 35.95 39.71 1rf2 h PHE 25 CO 0.65 1.41 -0.58 -1.54 -2.23 0.00 0.00 178.31 176.02 1rf2 s SER 26 N -7.22 0.11 -0.08 0.41 1.04 -1.07 -4.97 113.70 101.92 1rf2 s SER 26 Ca -0.12 -0.31 0.01 0.00 0.48 0.00 0.00 55.95 56.01 1rf2 s SER 26 Cb 0.02 0.16 0.02 0.00 0.10 0.00 0.00 66.02 66.32 1rf2 s SER 26 CO 0.88 -0.33 -0.09 -0.47 0.98 0.00 0.00 173.24 174.20 1rf2 s TYR 27 N -1.37 1.37 -0.03 5.02 5.04 -1.26 -1.85 117.35 124.27 1rf2 s TYR 27 Ca -0.15 -0.57 0.04 0.00 -2.44 0.00 0.00 57.07 53.95 1rf2 s TYR 27 Cb -0.08 -1.08 -0.00 0.00 0.35 0.00 0.00 41.96 41.14 1rf2 s TYR 27 CO 0.00 -0.35 -0.14 0.99 -1.34 0.00 0.00 175.55 174.71 1rf2 s THR 28 N 1.09 1.14 0.02 4.34 2.01 -0.02 -5.01 115.64 119.22 1rf2 s THR 28 Ca -0.07 -0.58 -0.02 0.00 0.31 0.00 0.00 61.69 61.34 1rf2 s THR 28 Cb -0.14 -0.98 -0.02 0.00 0.01 0.00 0.00 72.50 71.37 1rf2 s THR 28 CO -0.01 0.33 0.00 -1.83 -0.69 0.00 0.00 174.62 172.42 1rf2 s GLU 29 N -0.06 0.39 0.00 4.92 -1.05 -1.26 -0.89 118.70 120.75 1rf2 s GLU 29 Ca -0.00 -0.65 0.02 0.00 -0.15 0.00 0.00 54.97 54.19 1rf2 s GLU 29 Cb -0.08 0.14 -0.01 0.00 -0.44 0.00 0.00 34.13 33.74 1rf2 s GLU 29 CO 0.01 -0.07 -0.08 0.45 0.95 0.00 0.00 175.26 176.51 1rf2 s SER 30 N -1.64 0.93 0.00 0.83 0.15 -0.76 -5.01 113.70 108.20 1rf2 s SER 30 Ca -0.13 -0.19 0.12 0.00 0.70 0.00 0.00 55.95 56.46 1rf2 s SER 30 Cb -0.07 -0.09 0.32 0.00 -1.71 0.00 0.00 66.02 64.47 1rf2 s SER 30 CO -0.02 0.07 1.24 0.00 1.20 0.00 0.00 173.24 175.73 1rf2 n LEU 31 N 2.72 2.93 -4.77 3.45 -0.00 -1.26 -3.07 117.00 117.01 1rf2 n LEU 31 Ca -0.14 -1.89 -0.39 0.00 -0.00 0.00 0.00 56.01 53.59 1rf2 n LEU 31 Cb 0.57 -0.23 -0.00 0.00 -0.00 0.00 0.00 43.42 43.75 1rf2 n LEU 31 CO 0.25 0.72 0.95 0.00 -0.00 0.00 0.00 177.39 179.31 1rf2 s ALA 32 N -1.00 3.22 0.21 1.47 0.00 -1.26 -4.84 121.76 119.56 1rf2 s ALA 32 Ca 0.25 1.21 -0.32 0.00 0.00 0.00 0.00 51.96 53.10 1rf2 s ALA 32 Cb 0.13 -3.48 -0.12 0.00 0.00 0.00 0.00 23.12 19.65 1rf2 s ALA 32 CO 0.18 -0.84 1.68 0.20 0.00 0.00 0.00 175.76 176.98 1rf2 s GLY 33 N -0.80 1.37 0.00 0.00 0.00 -1.26 -0.84 107.32 105.79 1rf2 s GLY 33 Ca 0.58 1.56 0.00 0.00 0.00 0.00 0.00 44.72 46.86 1rf2 s GLY 33 CO 0.48 2.80 0.00 0.28 0.00 0.00 0.00 173.10 176.66 1rf2 n LYS 34 N 3.75 -0.72 -2.63 2.90 4.76 -1.26 -4.82 118.16 120.14 1rf2 n LYS 34 Ca 0.15 0.18 -0.08 0.00 -2.87 0.00 0.00 58.31 55.69 1rf2 n LYS 34 Cb 0.36 -3.93 0.04 0.00 -1.84 0.00 0.00 35.03 29.66 1rf2 n LYS 34 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1rf2 n ARG 35 N -1.21 2.09 -2.69 1.97 5.12 -0.02 -4.97 116.66 116.95 1rf2 n ARG 35 Ca 0.00 -3.65 -0.42 0.00 -1.93 0.00 0.00 57.85 51.85 1rf2 n ARG 35 Cb 0.18 -1.71 -0.02 0.00 -1.16 0.00 0.00 32.46 29.74 1rf2 n ARG 35 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1rf2 s GLU 36 N -3.63 3.65 0.23 5.56 8.01 -1.14 -4.34 118.70 127.05 1rf2 s GLU 36 Ca 0.33 -1.44 -0.10 0.00 0.01 0.00 0.00 54.97 53.76 1rf2 s GLU 36 Cb 0.37 -5.23 -0.01 0.00 -4.31 0.00 0.00 34.13 24.94 1rf2 s GLU 36 CO -0.02 -2.07 0.39 0.00 0.01 0.00 0.00 175.26 173.58 1rf2 s MET 37 N 4.10 1.46 0.11 1.61 0.23 -1.18 -4.21 119.30 121.42 1rf2 s MET 37 Ca 0.43 -1.34 0.08 0.00 -1.03 0.00 0.00 55.69 53.83 1rf2 s MET 37 Cb -0.01 0.42 -0.04 0.00 -1.53 0.00 0.00 34.83 33.68 1rf2 s MET 37 CO -0.08 -0.58 -0.20 0.00 -2.03 0.00 0.00 175.02 172.13 1rf2 s ALA 38 N -4.05 1.81 -0.05 3.16 0.00 -1.19 -1.82 121.76 119.62 1rf2 s ALA 38 Ca 0.26 -1.27 0.02 0.00 0.00 0.00 0.00 51.96 50.97 1rf2 s ALA 38 Cb 0.01 -0.23 0.01 0.00 0.00 0.00 0.00 23.12 22.91 1rf2 s ALA 38 CO 0.10 0.34 -0.08 0.42 0.00 0.00 0.00 175.76 176.54 1rf2 s ILE 39 N -1.27 0.79 0.19 0.00 1.01 -0.07 -1.00 121.20 120.86 1rf2 s ILE 39 Ca 0.07 -0.30 0.11 0.00 0.00 0.00 0.00 60.65 60.53 1rf2 s ILE 39 Cb -0.09 -0.75 -0.04 0.00 0.01 0.00 0.00 42.46 41.58 1rf2 s ILE 39 CO 0.04 0.27 -0.20 0.27 0.00 0.00 0.00 174.94 175.33 1rf2 s ILE 40 N 0.66 2.59 0.15 2.92 -4.36 -0.15 -0.84 121.20 122.17 1rf2 s ILE 40 Ca -0.11 -1.93 0.04 0.00 -0.26 0.00 0.00 60.65 58.39 1rf2 s ILE 40 Cb -0.14 -2.26 -0.04 0.00 1.25 0.00 0.00 42.46 41.27 1rf2 s ILE 40 CO 0.02 -0.12 -0.09 0.42 0.24 0.00 0.00 174.94 175.41 1rf2 s THR 41 N -1.69 1.13 0.30 8.37 -4.23 -0.77 -1.16 115.64 117.58 1rf2 s THR 41 Ca 0.22 -2.05 0.10 0.00 -1.18 0.00 0.00 61.69 58.78 1rf2 s THR 41 Cb -0.08 -1.88 -0.05 0.00 1.34 0.00 0.00 72.50 71.83 1rf2 s THR 41 CO 0.11 -0.72 -0.04 -0.36 -0.54 0.00 0.00 174.62 173.08 1rf2 s PHE 42 N -3.35 2.54 0.52 3.99 0.40 -0.29 -0.38 117.98 121.40 1rf2 s PHE 42 Ca 0.18 -0.34 0.17 0.00 -0.60 0.00 0.00 56.93 56.34 1rf2 s PHE 42 Cb 0.03 -1.27 1.28 0.00 0.51 0.00 0.00 43.02 43.57 1rf2 s PHE 42 CO 0.01 0.58 2.13 -0.22 0.70 0.00 0.00 175.22 178.42 1rf2 h LYS 43 N 1.94 0.01 0.00 0.44 3.64 -1.89 0.15 116.57 120.87 1rf2 h LYS 43 Ca -0.43 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 1rf2 h LYS 43 Cb 1.25 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1rf2 h LYS 43 CO 0.63 0.01 0.00 0.27 -2.27 0.00 0.00 179.45 178.09 1rf2 n ASN 44 N -4.51 0.00 0.00 4.20 0.23 -1.26 -4.87 115.26 109.04 1rf2 n ASN 44 Ca -0.01 -0.55 0.00 0.00 -0.53 0.00 0.00 54.58 53.49 1rf2 n ASN 44 Cb 0.17 -0.05 0.00 0.00 -2.08 0.00 0.00 39.78 37.81 1rf2 n ASN 44 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1rf2 n GLY 45 N 0.37 1.22 3.75 4.83 0.00 0.53 -5.05 105.19 110.85 1rf2 n GLY 45 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1rf2 n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rf2 n ALA 46 N -1.73 2.61 -2.94 4.61 0.00 -1.25 -4.73 120.51 117.07 1rf2 n ALA 46 Ca 0.00 0.37 -0.24 0.00 0.00 0.00 0.00 53.44 53.57 1rf2 n ALA 46 Cb 0.00 -2.47 -0.16 0.00 0.00 0.00 0.00 19.45 16.82 1rf2 n ALA 46 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1rf2 s THR 47 N -0.15 1.17 0.04 0.00 2.01 -1.26 -1.14 115.64 116.31 1rf2 s THR 47 Ca 0.62 -0.57 0.01 0.00 0.31 0.00 0.00 61.69 62.06 1rf2 s THR 47 Cb -0.48 -1.01 -0.03 0.00 0.01 0.00 0.00 72.50 70.99 1rf2 s THR 47 CO 0.50 0.34 -0.06 -0.36 -0.69 0.00 0.00 174.62 174.36 1rf2 s PHE 48 N 0.09 0.59 0.19 4.92 0.08 -0.31 -3.98 117.98 119.56 1rf2 s PHE 48 Ca -0.03 -0.59 0.11 0.00 0.12 0.00 0.00 56.93 56.54 1rf2 s PHE 48 Cb -0.10 -0.37 -0.04 0.00 -0.57 0.00 0.00 43.02 41.94 1rf2 s PHE 48 CO 0.01 -0.13 -0.21 1.14 -0.10 0.00 0.00 175.22 175.93 1rf2 s GLN 49 N -1.95 1.65 -0.36 0.44 -2.07 -0.59 -0.98 119.66 115.80 1rf2 s GLN 49 Ca -0.08 -1.46 -0.15 0.00 -1.82 0.00 0.00 55.36 51.86 1rf2 s GLN 49 Cb -0.07 -1.92 -0.01 0.00 -1.09 0.00 0.00 33.01 29.92 1rf2 s GLN 49 CO -0.01 0.41 0.32 0.08 -1.32 0.00 0.00 175.29 174.77 1rf2 s VAL 50 N -1.66 5.21 0.68 3.63 1.01 -0.17 -0.82 120.40 128.29 1rf2 s VAL 50 Ca 0.22 -0.18 -0.16 0.00 0.00 0.00 0.00 61.98 61.85 1rf2 s VAL 50 Cb -0.08 -3.82 0.01 0.00 0.00 0.00 0.00 36.38 32.49 1rf2 s VAL 50 CO 0.11 -0.13 1.23 -1.61 0.00 0.00 0.00 175.10 174.70 1rf2 s GLU 51 N 1.89 2.39 0.27 2.72 2.02 -1.26 -3.18 118.70 123.55 1rf2 s GLU 51 Ca 0.09 1.85 -0.31 0.00 0.02 0.00 0.00 54.97 56.63 1rf2 s GLU 51 Cb -0.17 -1.85 -0.12 0.00 0.10 0.00 0.00 34.13 32.09 1rf2 s GLU 51 CO 0.11 -1.66 1.59 0.28 0.02 0.00 0.00 175.26 175.60 1rf2 n VAL 52 N -2.30 0.86 -1.72 2.63 0.31 -1.26 -4.88 118.33 111.97 1rf2 n VAL 52 Ca 0.14 -0.21 -0.42 0.00 -0.01 0.00 0.00 64.34 63.84 1rf2 n VAL 52 Cb 0.50 -1.89 -0.03 0.00 -0.91 0.00 0.00 33.84 31.50 1rf2 n VAL 52 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1rf2 n PRO 53 N 2.40 2.79 -1.13 5.55 -0.02 -1.26 -4.94 135.00 138.38 1rf2 n PRO 53 Ca 0.10 1.01 0.00 0.00 -2.02 0.00 0.00 63.50 62.59 1rf2 n PRO 53 Cb 0.36 -2.86 0.00 0.00 -0.02 0.00 0.00 33.50 30.97 1rf2 n PRO 53 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rf2 n GLY 54 N 4.01 3.81 0.14 -1.23 0.00 -1.26 -5.04 105.19 105.62 1rf2 n GLY 54 Ca 0.16 -1.39 0.13 0.00 0.00 0.00 0.00 46.02 44.92 1rf2 n GLY 54 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1rf2 h SER 55 N 0.00 0.00 1.17 1.61 4.64 -2.03 -1.77 113.55 117.18 1rf2 h SER 55 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1rf2 h SER 55 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1rf2 h SER 55 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 1rf2 n GLN 56 N -2.34 0.23 -3.71 4.77 0.00 -1.26 -4.79 117.38 110.27 1rf2 n GLN 56 Ca 0.03 0.30 -0.37 0.00 0.00 0.00 0.00 57.00 56.95 1rf2 n GLN 56 Cb 0.28 -1.83 -0.06 0.00 0.00 0.00 0.00 30.24 28.63 1rf2 n GLN 56 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 1rf2 s HIS 57 N -3.19 3.65 0.51 2.61 3.76 -0.67 -5.10 115.29 116.87 1rf2 s HIS 57 Ca 0.08 0.72 -0.03 0.00 -0.15 0.00 0.00 55.06 55.67 1rf2 s HIS 57 Cb 0.11 -2.08 -0.01 0.00 1.11 0.00 0.00 32.58 31.71 1rf2 s HIS 57 CO 0.51 0.68 0.79 0.96 -0.85 0.00 0.00 174.74 176.84 1rf2 s ILE 58 N -1.09 4.06 0.26 0.60 -4.36 -1.26 -4.90 121.20 114.50 1rf2 s ILE 58 Ca 0.20 -0.14 -0.04 0.00 -0.26 0.00 0.00 60.65 60.42 1rf2 s ILE 58 Cb -0.14 -3.55 0.27 0.00 1.25 0.00 0.00 42.46 40.28 1rf2 s ILE 58 CO 0.10 -0.50 1.90 -0.78 0.24 0.00 0.00 174.94 175.89 1rf2 h ASP 59 N 0.12 1.08 0.19 4.36 1.82 -1.98 0.64 116.42 122.65 1rf2 h ASP 59 Ca -0.46 -0.01 -0.00 0.00 -0.39 0.00 0.00 57.03 56.17 1rf2 h ASP 59 Cb 1.24 -0.24 -0.00 0.00 0.68 0.00 0.00 39.33 41.01 1rf2 h ASP 59 CO 0.60 0.73 -0.01 0.77 -1.61 0.00 0.00 179.24 179.72 1rf2 h SER 60 N 1.25 0.00 1.79 2.28 4.64 -2.05 -1.48 113.55 119.98 1rf2 h SER 60 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 1rf2 h SER 60 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1rf2 h SER 60 CO -0.14 0.01 0.00 1.56 -0.87 0.00 0.00 176.83 177.39 1rf2 h GLN 61 N 0.00 0.00 -0.07 4.77 4.20 -1.24 -3.37 115.11 119.41 1rf2 h GLN 61 Ca -0.00 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.72 1rf2 h GLN 61 Cb 0.11 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 1rf2 h GLN 61 CO 0.00 0.00 0.00 0.87 -0.67 0.00 0.00 178.83 179.04 1rf2 h LYS 62 N 0.00 0.03 -0.48 1.46 1.57 -1.33 -0.29 116.57 117.53 1rf2 h LYS 62 Ca 0.00 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1rf2 h LYS 62 Cb 0.89 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.17 1rf2 h LYS 62 CO 0.00 0.02 0.19 0.87 -0.57 0.00 0.00 179.45 179.96 1rf2 h LYS 63 N 0.03 0.68 -0.11 3.15 1.57 -1.76 -2.65 116.57 117.47 1rf2 h LYS 63 Ca 0.03 -0.10 -0.12 0.00 -1.87 0.00 0.00 60.65 58.59 1rf2 h LYS 63 Cb 0.03 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 1rf2 h LYS 63 CO -0.05 0.57 -0.47 0.00 -0.57 0.00 0.00 179.45 178.93 1rf2 h ALA 64 N 1.53 0.99 -0.33 3.86 0.00 -1.56 -0.77 119.26 122.99 1rf2 h ALA 64 Ca 0.16 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 1rf2 h ALA 64 Cb 0.14 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1rf2 h ALA 64 CO -0.02 0.64 0.08 0.82 0.00 0.00 0.00 179.25 180.77 1rf2 h ILE 65 N 0.23 1.22 -0.58 0.00 2.04 -0.79 0.04 117.51 119.67 1rf2 h ILE 65 Ca 0.01 -0.76 -0.02 0.00 1.00 0.00 0.00 64.86 65.10 1rf2 h ILE 65 Cb 0.92 1.08 -0.03 0.00 -0.74 0.00 0.00 36.82 38.05 1rf2 h ILE 65 CO 0.08 0.25 0.29 -0.33 0.00 0.00 0.00 178.15 178.44 1rf2 h GLU 66 N 0.38 0.83 -0.70 2.37 4.39 -1.27 -2.26 114.58 118.32 1rf2 h GLU 66 Ca 0.10 -0.11 0.01 0.00 0.34 0.00 0.00 59.36 59.70 1rf2 h GLU 66 Cb 0.31 -0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 28.77 1rf2 h GLU 66 CO 0.00 0.66 0.46 -0.09 -1.16 0.00 0.00 179.01 178.88 1rf2 h ARG 67 N 0.79 0.92 -0.80 2.33 2.43 -0.97 -2.11 114.38 116.96 1rf2 h ARG 67 Ca 0.20 -0.06 0.02 0.00 -0.81 0.00 0.00 59.98 59.34 1rf2 h ARG 67 Cb 0.09 -0.21 -0.04 0.00 -0.42 0.00 0.00 29.97 29.39 1rf2 h ARG 67 CO -0.03 0.61 0.52 1.98 -1.51 0.00 0.00 179.97 181.54 1rf2 h MET 68 N 0.94 1.01 -0.80 0.20 4.05 -0.65 0.00 114.93 119.69 1rf2 h MET 68 Ca 0.26 -0.06 -0.05 0.00 -0.28 0.00 0.00 59.70 59.57 1rf2 h MET 68 Cb -0.10 -0.23 -0.04 0.00 -0.80 0.00 0.00 31.60 30.43 1rf2 h MET 68 CO -0.06 0.67 0.32 0.87 0.23 0.00 0.00 176.91 178.95 1rf2 h LYS 69 N 1.04 1.20 -0.48 0.39 1.57 -1.19 -0.58 116.57 118.53 1rf2 h LYS 69 Ca 0.31 -0.22 0.03 0.00 -1.87 0.00 0.00 60.65 58.90 1rf2 h LYS 69 Cb -0.06 -0.20 -0.04 0.00 0.08 0.00 0.00 32.23 32.02 1rf2 h LYS 69 CO -0.09 0.97 0.26 -0.44 -0.57 0.00 0.00 179.45 179.58 1rf2 h ASP 70 N 1.17 0.39 -0.53 0.86 3.32 -0.65 -2.01 116.42 118.97 1rf2 h ASP 70 Ca 0.27 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.30 1rf2 h ASP 70 Cb 0.22 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 1rf2 h ASP 70 CO -0.02 0.28 0.20 0.74 -1.72 0.00 0.00 179.24 178.72 1rf2 h THR 71 N 0.51 1.22 -0.41 0.35 2.02 -0.61 -2.09 112.91 113.91 1rf2 h THR 71 Ca 0.20 -0.71 -0.11 0.00 0.77 0.00 0.00 66.41 66.56 1rf2 h THR 71 Cb 0.07 0.69 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 1rf2 h THR 71 CO -0.12 0.27 -0.21 -0.07 0.37 0.00 0.00 175.52 175.76 1rf2 h LEU 72 N 0.73 0.81 -0.00 2.58 3.38 -0.99 0.24 115.31 122.06 1rf2 h LEU 72 Ca 0.18 -0.29 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 1rf2 h LEU 72 Cb 0.22 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1rf2 h LEU 72 CO -0.01 1.00 0.00 -0.09 0.09 0.00 0.00 178.44 179.43 1rf2 h ARG 73 N 0.70 0.01 -0.12 1.13 2.43 -1.20 -0.05 114.38 117.28 1rf2 h ARG 73 Ca 0.10 -0.00 -0.16 0.00 -0.81 0.00 0.00 59.98 59.11 1rf2 h ARG 73 Cb 0.72 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.27 1rf2 h ARG 73 CO 0.06 0.16 -0.61 0.97 -1.51 0.00 0.00 179.97 179.03 1rf2 h ILE 74 N -0.15 1.36 -0.52 1.20 6.09 -1.28 -1.61 117.51 122.59 1rf2 h ILE 74 Ca 0.00 -1.94 0.05 0.00 -1.37 0.00 0.00 64.86 61.60 1rf2 h ILE 74 Cb 0.15 1.93 -0.05 0.00 0.47 0.00 0.00 36.82 39.33 1rf2 h ILE 74 CO -0.00 0.59 0.27 0.00 -3.07 0.00 0.00 178.15 175.93 1rf2 h ALA 75 N 1.05 0.67 -0.19 0.18 0.00 -0.90 -1.30 119.26 118.77 1rf2 h ALA 75 Ca -0.01 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1rf2 h ALA 75 Cb 1.14 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 1rf2 h ALA 75 CO 0.10 -0.08 0.08 -0.92 0.00 0.00 0.00 179.25 178.44 1rf2 h TYR 76 N 0.52 0.15 0.00 0.00 3.20 -0.65 -1.38 116.97 118.81 1rf2 h TYR 76 Ca 0.23 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 62.01 1rf2 h TYR 76 Cb 0.14 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.35 1rf2 h TYR 76 CO -0.10 0.08 -0.47 -0.07 -1.64 0.00 0.00 178.16 175.96 1rf2 h LEU 77 N 0.18 0.00 -1.05 2.82 3.38 -1.04 -2.61 115.31 116.99 1rf2 h LEU 77 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1rf2 h LEU 77 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1rf2 h LEU 77 CO -0.07 0.47 -0.13 0.35 0.09 0.00 0.00 178.44 179.15 1rf2 n THR 78 N -3.75 0.00 -2.78 0.22 -2.24 -0.51 -4.94 114.28 100.28 1rf2 n THR 78 Ca -0.01 -0.27 -0.22 0.00 -2.27 0.00 0.00 64.05 61.28 1rf2 n THR 78 Cb 0.53 0.78 0.02 0.00 -2.10 0.00 0.00 70.33 69.56 1rf2 n THR 78 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1rf2 n GLU 79 N 0.18 -3.62 -2.14 -0.78 1.02 -0.61 -4.93 120.64 109.76 1rf2 n GLU 79 Ca 0.15 0.95 -0.42 0.00 -0.02 0.00 0.00 57.16 57.82 1rf2 n GLU 79 Cb 0.42 -5.73 -0.03 0.00 -0.02 0.00 0.00 31.44 26.08 1rf2 n GLU 79 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1rf2 s ALA 80 N -3.12 3.58 0.02 0.62 0.00 -0.69 -4.75 121.76 117.42 1rf2 s ALA 80 Ca 0.18 1.19 -0.30 0.00 0.00 0.00 0.00 51.96 53.03 1rf2 s ALA 80 Cb -0.08 -3.52 -0.06 0.00 0.00 0.00 0.00 23.12 19.46 1rf2 s ALA 80 CO 0.23 -0.62 1.43 0.21 0.00 0.00 0.00 175.76 177.00 1rf2 s LYS 81 N 0.14 4.28 -0.13 0.00 2.20 -1.26 -4.29 119.74 120.68 1rf2 s LYS 81 Ca 0.60 2.02 -0.23 0.00 -0.36 0.00 0.00 55.97 58.00 1rf2 s LYS 81 Cb -0.38 -3.54 -0.03 0.00 -1.51 0.00 0.00 37.83 32.37 1rf2 s LYS 81 CO 0.37 -0.58 0.71 0.08 -0.36 0.00 0.00 175.35 175.58 1rf2 s VAL 82 N 2.28 5.00 -0.03 4.02 1.01 0.22 -3.77 120.40 129.13 1rf2 s VAL 82 Ca 0.65 1.41 -0.00 0.00 0.00 0.00 0.00 61.98 64.04 1rf2 s VAL 82 Cb -0.33 -4.04 -0.00 0.00 0.00 0.00 0.00 36.38 32.01 1rf2 s VAL 82 CO 0.28 0.16 -0.01 -0.08 0.00 0.00 0.00 175.10 175.44 1rf2 h GLU 83 N 7.10 0.00 -4.92 2.72 4.81 -1.16 0.02 114.58 123.14 1rf2 h GLU 83 Ca -0.35 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 58.55 1rf2 h GLU 83 Cb 1.17 0.00 -0.19 0.00 0.63 0.00 0.00 28.75 30.35 1rf2 h GLU 83 CO 0.78 0.00 -0.74 0.15 -0.73 0.00 0.00 179.01 178.47 1rf2 s LYS 84 N -1.20 0.76 -0.05 1.92 1.02 -1.13 -0.88 119.74 120.18 1rf2 s LYS 84 Ca -0.01 -1.02 0.06 0.00 0.02 0.00 0.00 55.97 55.02 1rf2 s LYS 84 Cb 0.00 -0.51 -0.02 0.00 -0.52 0.00 0.00 37.83 36.78 1rf2 s LYS 84 CO 0.01 0.09 -0.22 -0.51 -0.92 0.00 0.00 175.35 173.80 1rf2 s LEU 85 N -2.11 2.24 -0.17 3.17 1.43 -0.20 -1.04 118.68 121.99 1rf2 s LEU 85 Ca 0.00 -0.43 -0.15 0.00 -1.03 0.00 0.00 54.13 52.52 1rf2 s LEU 85 Cb -0.06 -1.42 -0.04 0.00 0.03 0.00 0.00 46.19 44.70 1rf2 s LEU 85 CO 0.00 0.27 0.36 0.00 0.23 0.00 0.00 176.35 177.22 1rf2 s VAL 87 N 0.82 0.81 -0.21 0.00 -7.23 -0.49 -0.37 120.40 113.74 1rf2 s VAL 87 Ca 0.19 -1.60 -0.25 0.00 -1.81 0.00 0.00 61.98 58.51 1rf2 s VAL 87 Cb -0.14 -1.29 -0.01 0.00 0.56 0.00 0.00 36.38 35.50 1rf2 s VAL 87 CO 0.07 -0.59 0.84 0.26 -0.31 0.00 0.00 175.10 175.36 1rf2 s TRP 88 N -2.50 3.36 -0.33 2.82 0.51 0.38 -0.95 118.94 122.23 1rf2 s TRP 88 Ca 0.04 1.20 0.09 0.00 -2.12 0.00 0.00 56.10 55.32 1rf2 s TRP 88 Cb -0.02 -3.04 0.68 0.00 -0.81 0.00 0.00 33.47 30.28 1rf2 s TRP 88 CO -0.01 -0.32 1.75 0.27 -0.51 0.00 0.00 176.95 178.12 1rf2 n ASN 89 N 5.64 4.24 -1.68 2.95 0.23 -0.47 -1.55 115.26 124.62 1rf2 n ASN 89 Ca 0.05 -3.35 -0.02 0.00 -0.53 0.00 0.00 54.58 50.73 1rf2 n ASN 89 Cb 0.48 -0.73 0.29 0.00 -2.08 0.00 0.00 39.78 37.74 1rf2 n ASN 89 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1rf2 n ASN 90 N -0.51 4.41 -3.98 0.53 6.94 -1.26 -4.95 115.26 116.45 1rf2 n ASN 90 Ca 0.42 -3.24 -0.09 0.00 -0.02 0.00 0.00 54.58 51.65 1rf2 n ASN 90 Cb 1.35 -0.69 -0.10 0.00 -2.36 0.00 0.00 39.78 37.98 1rf2 n ASN 90 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1rf2 s LYS 91 N -2.99 0.47 -0.11 -3.83 -0.14 -1.25 -5.09 119.74 106.80 1rf2 s LYS 91 Ca 0.51 -0.76 0.00 0.00 -1.36 0.00 0.00 55.97 54.37 1rf2 s LYS 91 Cb 0.42 0.17 0.02 0.00 -1.68 0.00 0.00 37.83 36.76 1rf2 s LYS 91 CO 0.11 -0.10 -0.11 0.99 -0.76 0.00 0.00 175.35 175.48 1rf2 s THR 92 N -2.29 1.24 0.98 2.17 2.01 -1.26 -2.85 115.64 115.64 1rf2 s THR 92 Ca -0.08 -0.45 -0.11 0.00 0.31 0.00 0.00 61.69 61.36 1rf2 s THR 92 Cb -0.04 -1.19 0.18 0.00 0.01 0.00 0.00 72.50 71.46 1rf2 s THR 92 CO -0.04 0.40 1.10 -2.84 -0.69 0.00 0.00 174.62 172.56 1rf2 s PRO 93 N 1.39 0.53 0.45 4.92 0.02 -1.26 -5.05 135.00 136.00 1rf2 s PRO 93 Ca 0.00 1.27 -0.24 0.00 0.02 0.00 0.00 61.00 62.05 1rf2 s PRO 93 Cb -0.13 -1.69 -0.09 0.00 0.02 0.00 0.00 34.50 32.60 1rf2 s PRO 93 CO -0.06 -2.88 1.16 0.72 -0.33 0.00 0.00 177.00 175.61 1rf2 n HIS 94 N -4.38 1.69 -3.75 6.54 8.25 -1.13 -4.53 115.22 117.91 1rf2 n HIS 94 Ca 0.09 0.51 -0.36 0.00 -0.26 0.00 0.00 57.72 57.70 1rf2 n HIS 94 Cb 0.53 -2.30 -0.09 0.00 1.12 0.00 0.00 29.99 29.25 1rf2 n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1rf2 s ALA 95 N -1.26 3.60 0.05 -1.41 0.00 -0.59 -1.54 121.76 120.61 1rf2 s ALA 95 Ca 0.64 -0.78 -0.31 0.00 0.00 0.00 0.00 51.96 51.51 1rf2 s ALA 95 Cb -0.51 -2.19 -0.06 0.00 0.00 0.00 0.00 23.12 20.37 1rf2 s ALA 95 CO 0.56 0.01 1.26 0.42 0.00 0.00 0.00 175.76 178.01 1rf2 s ILE 96 N 0.65 3.87 -0.16 0.00 1.01 -0.00 -0.47 121.20 126.10 1rf2 s ILE 96 Ca 0.07 1.32 0.07 0.00 0.00 0.00 0.00 60.65 62.12 1rf2 s ILE 96 Cb -0.12 -3.85 -0.15 0.00 0.01 0.00 0.00 42.46 38.35 1rf2 s ILE 96 CO 0.01 0.08 -0.05 0.00 0.00 0.00 0.00 174.94 174.98 1rf2 n ALA 97 N 4.22 1.62 -3.44 9.38 0.00 0.51 -4.84 120.51 127.96 1rf2 n ALA 97 Ca 0.10 -0.88 -0.14 0.00 0.00 0.00 0.00 53.44 52.52 1rf2 n ALA 97 Cb 0.45 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.87 1rf2 n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rf2 s ALA 98 N -2.36 -1.64 0.02 0.00 0.00 -0.79 -4.98 121.76 112.02 1rf2 s ALA 98 Ca -0.16 0.76 0.03 0.00 0.00 0.00 0.00 51.96 52.59 1rf2 s ALA 98 Cb 0.05 0.58 -0.01 0.00 0.00 0.00 0.00 23.12 23.74 1rf2 s ALA 98 CO 0.51 -0.63 -0.10 -1.50 0.00 0.00 0.00 175.76 174.05 1rf2 s ILE 99 N -2.88 0.75 0.01 0.00 2.07 -1.26 -1.12 121.20 118.77 1rf2 s ILE 99 Ca -0.03 -0.69 0.07 0.00 -1.41 0.00 0.00 60.65 58.59 1rf2 s ILE 99 Cb -0.01 -0.68 -0.02 0.00 0.13 0.00 0.00 42.46 41.88 1rf2 s ILE 99 CO -0.05 0.01 -0.22 -0.94 -1.91 0.00 0.00 174.94 171.83 1rf2 s SER 100 N -0.76 2.58 -0.07 4.50 1.04 -0.21 -5.01 113.70 115.77 1rf2 s SER 100 Ca -0.00 -0.45 0.03 0.00 0.48 0.00 0.00 55.95 56.01 1rf2 s SER 100 Cb -0.06 -0.26 0.00 0.00 0.10 0.00 0.00 66.02 65.81 1rf2 s SER 100 CO 0.00 0.23 -0.17 -0.04 0.98 0.00 0.00 173.24 174.25 1rf2 s MET 101 N -0.78 2.13 -0.10 4.02 -1.94 -1.26 -0.68 119.30 120.70 1rf2 s MET 101 Ca 0.08 -0.61 -0.14 0.00 -1.71 0.00 0.00 55.69 53.32 1rf2 s MET 101 Cb -0.09 -1.72 0.03 0.00 2.01 0.00 0.00 34.83 35.07 1rf2 s MET 101 CO 0.00 0.13 0.35 0.00 -0.01 0.00 0.00 175.02 175.50 1rf2 s ALA 102 N 0.40 -0.88 -1.67 3.03 0.00 -1.25 -4.89 121.76 116.51 1rf2 s ALA 102 Ca -0.13 0.82 0.00 0.00 0.00 0.00 0.00 51.96 52.65 1rf2 s ALA 102 Cb -0.15 -0.39 0.00 0.00 0.00 0.00 0.00 23.12 22.58 1rf2 s ALA 102 CO 0.05 -0.20 0.42 0.27 0.00 0.00 0.00 175.76 176.29