#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 3.49 0.19 -2.82 0.04 -1.26 -4.93 135.00 129.71 1rf2 s PRO 2 Ca 0.00 1.65 0.24 0.00 0.04 0.00 0.00 61.00 62.93 1rf2 s PRO 2 Cb 0.00 -2.12 0.39 0.00 0.04 0.00 0.00 34.50 32.80 1rf2 s PRO 2 CO 0.00 -0.74 1.41 1.96 0.04 0.00 0.00 177.00 179.66 1rf2 h GLN 3 N 1.46 0.00 -2.78 4.56 1.08 -2.02 -3.48 115.11 113.93 1rf2 h GLN 3 Ca -0.50 0.00 0.09 0.00 -1.45 0.00 0.00 58.65 56.80 1rf2 h GLN 3 Cb 1.26 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.64 1rf2 h GLN 3 CO 0.58 0.00 0.34 0.54 -0.95 0.00 0.00 178.83 179.33 1rf2 s ASN 4 N -4.72 -0.17 0.34 1.46 2.20 -1.26 -5.05 114.94 107.74 1rf2 s ASN 4 Ca 0.06 -0.65 0.05 0.00 -0.94 0.00 0.00 52.86 51.39 1rf2 s ASN 4 Cb 0.11 0.67 0.63 0.00 -2.00 0.00 0.00 41.25 40.66 1rf2 s ASN 4 CO 0.70 -1.25 1.87 -0.29 -2.94 0.00 0.00 177.10 175.18 1rf2 h ILE 5 N 2.00 1.20 -0.34 0.54 2.10 -1.96 -1.70 117.51 119.35 1rf2 h ILE 5 Ca -0.23 -0.84 -0.08 0.00 1.08 0.00 0.00 64.86 64.79 1rf2 h ILE 5 Cb 1.24 1.06 -0.01 0.00 -1.09 0.00 0.00 36.82 38.02 1rf2 h ILE 5 CO 0.28 0.28 -0.08 0.74 -1.08 0.00 0.00 178.15 178.28 1rf2 h THR 6 N 0.42 1.28 -0.55 2.19 2.02 -1.99 -0.79 112.91 115.48 1rf2 h THR 6 Ca 0.09 -1.14 -0.09 0.00 0.77 0.00 0.00 66.41 66.03 1rf2 h THR 6 Cb 0.38 1.32 -0.02 0.00 -1.74 0.00 0.00 68.15 68.09 1rf2 h THR 6 CO 0.02 0.37 -0.02 0.44 0.37 0.00 0.00 175.52 176.70 1rf2 h ASP 7 N 0.44 0.95 -0.22 4.18 3.32 -1.93 -2.33 116.42 120.83 1rf2 h ASP 7 Ca 0.09 -0.27 -0.01 0.00 0.02 0.00 0.00 57.03 56.86 1rf2 h ASP 7 Cb 0.59 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 1rf2 h ASP 7 CO 0.03 1.02 0.11 0.25 -1.72 0.00 0.00 179.24 178.93 1rf2 h LEU 8 N 0.89 0.29 -0.99 1.55 6.46 -1.19 -2.93 115.31 119.39 1rf2 h LEU 8 Ca 0.16 -0.11 0.06 0.00 -0.12 0.00 0.00 57.88 57.87 1rf2 h LEU 8 Cb 0.55 -0.07 -0.07 0.00 -0.73 0.00 0.00 40.66 40.34 1rf2 h LEU 8 CO 0.03 0.32 0.64 0.00 -0.62 0.00 0.00 178.44 178.81 1rf2 n ALA 10 N -2.36 1.50 1.20 0.00 0.00 -0.89 -2.40 120.51 117.55 1rf2 n ALA 10 Ca 0.15 -0.03 0.14 0.00 0.00 0.00 0.00 53.44 53.70 1rf2 n ALA 10 Cb 0.18 -1.19 0.68 0.00 0.00 0.00 0.00 19.45 19.12 1rf2 n ALA 10 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1rf2 n GLU 11 N -1.55 0.23 -4.46 0.00 1.02 -0.60 -4.87 120.64 110.42 1rf2 n GLU 11 Ca 0.03 0.01 -0.27 0.00 -0.02 0.00 0.00 57.16 56.90 1rf2 n GLU 11 Cb 0.13 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 29.92 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 -2.76 2.11 0.62 -0.32 1.51 -1.01 -5.14 117.35 112.36 1rf2 s TYR 12 Ca 0.21 -0.39 -0.13 0.00 -1.01 0.00 0.00 57.07 55.75 1rf2 s TYR 12 Cb 0.19 -1.17 -0.03 0.00 -0.11 0.00 0.00 41.96 40.83 1rf2 s TYR 12 CO 0.48 0.25 1.03 -1.01 -1.11 0.00 0.00 175.55 175.19 1rf2 s HIS 13 N -1.03 3.35 -1.50 2.71 3.76 -1.26 -4.14 115.29 117.18 1rf2 s HIS 13 Ca 0.11 1.40 -0.06 0.00 -0.15 0.00 0.00 55.06 56.35 1rf2 s HIS 13 Cb -0.10 -2.82 0.01 0.00 1.11 0.00 0.00 32.58 30.78 1rf2 s HIS 13 CO 0.05 -0.84 0.78 0.09 -0.85 0.00 0.00 174.74 173.97 1rf2 n ASN 14 N -2.51 -6.10 -4.47 1.40 5.03 -1.26 -4.94 115.26 102.40 1rf2 n ASN 14 Ca 0.07 -0.38 -0.23 0.00 0.87 0.00 0.00 54.58 54.91 1rf2 n ASN 14 Cb 0.54 -4.89 -0.10 0.00 -1.02 0.00 0.00 39.78 34.30 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 -3.22 2.16 0.11 3.41 -4.23 -1.26 -0.77 115.64 111.84 1rf2 s THR 15 Ca 0.40 -2.27 -0.17 0.00 -1.18 0.00 0.00 61.69 58.47 1rf2 s THR 15 Cb -0.18 -2.40 0.04 0.00 1.34 0.00 0.00 72.50 71.30 1rf2 s THR 15 CO 0.49 -0.35 0.42 0.00 -0.54 0.00 0.00 174.62 174.64 1rf2 s GLN 16 N -3.60 1.05 -0.16 3.99 -2.07 -0.49 -4.90 119.66 113.47 1rf2 s GLN 16 Ca 0.30 -0.61 -0.14 0.00 -1.82 0.00 0.00 55.36 53.09 1rf2 s GLN 16 Cb -0.01 0.46 -0.05 0.00 -1.09 0.00 0.00 33.01 32.33 1rf2 s GLN 16 CO 0.14 -0.40 0.28 0.42 -1.32 0.00 0.00 175.29 174.41 1rf2 s ILE 17 N -3.48 5.31 -0.19 3.63 -1.09 -1.26 -1.27 121.20 122.85 1rf2 s ILE 17 Ca 0.01 0.53 -0.07 0.00 -2.23 0.00 0.00 60.65 58.89 1rf2 s ILE 17 Cb 0.01 -3.62 -0.04 0.00 -1.58 0.00 0.00 42.46 37.23 1rf2 s ILE 17 CO -0.10 0.39 0.06 -1.00 -1.23 0.00 0.00 174.94 173.06 1rf2 s HIS 18 N 0.46 3.20 -0.38 3.97 3.76 -0.05 -4.99 115.29 121.26 1rf2 s HIS 18 Ca 0.16 -0.04 -0.12 0.00 -0.15 0.00 0.00 55.06 54.91 1rf2 s HIS 18 Cb -0.13 -2.10 0.03 0.00 1.11 0.00 0.00 32.58 31.49 1rf2 s HIS 18 CO 0.04 0.04 0.22 0.99 -0.85 0.00 0.00 174.74 175.18 1rf2 s THR 19 N 0.61 4.68 -0.26 1.30 2.01 -1.26 -1.08 115.64 121.64 1rf2 s THR 19 Ca 0.03 -0.84 -0.03 0.00 0.31 0.00 0.00 61.69 61.16 1rf2 s THR 19 Cb -0.13 -3.62 -0.15 0.00 0.01 0.00 0.00 72.50 68.61 1rf2 s THR 19 CO 0.02 -0.25 -0.26 0.18 -0.69 0.00 0.00 174.62 173.61 1rf2 n LEU 20 N 5.02 2.63 -4.12 4.42 4.77 0.30 -5.00 117.00 125.03 1rf2 n LEU 20 Ca -0.12 0.01 -0.33 0.00 -0.03 0.00 0.00 56.01 55.55 1rf2 n LEU 20 Cb 0.46 -0.85 -0.04 0.00 -2.33 0.00 0.00 43.42 40.66 1rf2 n LEU 20 CO 0.37 0.81 -0.32 0.59 -1.33 0.00 0.00 177.39 177.51 1rf2 n ASN 21 N -3.55 -0.89 -3.56 -1.43 3.02 0.09 -4.95 115.26 104.00 1rf2 n ASN 21 Ca -0.47 -1.19 -0.13 0.00 -0.03 0.00 0.00 54.58 52.76 1rf2 n ASN 21 Cb 0.94 -2.16 -0.05 0.00 -0.61 0.00 0.00 39.78 37.91 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 -4.14 -0.44 0.73 6.41 2.15 -0.64 -4.90 116.67 115.83 1rf2 s ASP 22 Ca 0.14 0.12 -0.12 0.00 0.43 0.00 0.00 52.55 53.12 1rf2 s ASP 22 Cb -0.07 0.51 0.03 0.00 -0.30 0.00 0.00 42.92 43.09 1rf2 s ASP 22 CO 0.95 -0.77 1.08 -1.59 -0.17 0.00 0.00 175.17 174.68 1rf2 s LYS 23 N -2.74 2.55 0.16 4.34 -2.85 -1.26 -0.74 119.74 119.20 1rf2 s LYS 23 Ca -0.04 1.15 -0.31 0.00 -1.00 0.00 0.00 55.97 55.78 1rf2 s LYS 23 Cb -0.00 -1.93 -0.08 0.00 -2.06 0.00 0.00 37.83 33.75 1rf2 s LYS 23 CO -0.04 -1.41 1.33 0.42 0.10 0.00 0.00 175.35 175.75 1rf2 s ILE 24 N -2.83 3.29 -0.05 3.79 1.01 -1.26 -4.69 121.20 120.46 1rf2 s ILE 24 Ca 0.61 1.00 -0.17 0.00 0.00 0.00 0.00 60.65 62.10 1rf2 s ILE 24 Cb -0.17 -3.64 -0.31 0.00 0.01 0.00 0.00 42.46 38.35 1rf2 s ILE 24 CO 0.53 0.12 0.76 0.15 0.00 0.00 0.00 174.94 176.49 1rf2 h PHE 25 N 5.97 0.61 -3.79 3.97 3.57 -1.06 -3.48 116.94 122.73 1rf2 h PHE 25 Ca -0.44 -0.44 -0.17 0.00 3.53 0.00 0.00 57.97 60.45 1rf2 h PHE 25 Cb 1.21 -0.02 -0.22 0.00 2.79 0.00 0.00 35.95 39.71 1rf2 h PHE 25 CO 0.64 1.49 -0.64 -1.54 -2.23 0.00 0.00 178.31 176.03 1rf2 s SER 26 N -7.15 0.13 -0.10 0.41 1.04 -0.98 -4.98 113.70 102.07 1rf2 s SER 26 Ca -0.15 -0.31 0.01 0.00 0.48 0.00 0.00 55.95 55.98 1rf2 s SER 26 Cb 0.03 0.13 0.02 0.00 0.10 0.00 0.00 66.02 66.30 1rf2 s SER 26 CO 0.83 -0.26 -0.12 -0.47 0.98 0.00 0.00 173.24 174.20 1rf2 s TYR 27 N -1.14 1.68 -0.04 5.02 5.04 -1.26 -1.92 117.35 124.74 1rf2 s TYR 27 Ca -0.12 -0.78 0.05 0.00 -2.44 0.00 0.00 57.07 53.77 1rf2 s TYR 27 Cb -0.07 -1.28 -0.01 0.00 0.35 0.00 0.00 41.96 40.95 1rf2 s TYR 27 CO -0.00 -0.45 -0.19 0.99 -1.34 0.00 0.00 175.55 174.56 1rf2 s THR 28 N 1.18 1.53 0.00 4.34 2.01 0.13 -5.01 115.64 119.81 1rf2 s THR 28 Ca -0.04 -0.79 -0.00 0.00 0.31 0.00 0.00 61.69 61.17 1rf2 s THR 28 Cb -0.14 -1.30 -0.00 0.00 0.01 0.00 0.00 72.50 71.07 1rf2 s THR 28 CO -0.03 0.44 0.00 -0.70 -0.69 0.00 0.00 174.62 173.64 1rf2 s GLU 29 N -0.12 0.08 -0.00 4.92 2.12 -1.26 -0.87 118.70 123.56 1rf2 s GLU 29 Ca -0.01 -0.11 0.04 0.00 0.36 0.00 0.00 54.97 55.25 1rf2 s GLU 29 Cb -0.11 0.03 -0.01 0.00 0.26 0.00 0.00 34.13 34.30 1rf2 s GLU 29 CO 0.02 -0.01 -0.14 0.45 -0.54 0.00 0.00 175.26 175.03 1rf2 s SER 30 N -0.30 1.68 0.00 -1.70 0.15 -0.64 -5.01 113.70 107.87 1rf2 s SER 30 Ca -0.03 -0.29 0.10 0.00 0.70 0.00 0.00 55.95 56.44 1rf2 s SER 30 Cb -0.02 -0.18 0.23 0.00 -1.71 0.00 0.00 66.02 64.34 1rf2 s SER 30 CO -0.00 0.16 1.12 0.00 1.20 0.00 0.00 173.24 175.72 1rf2 n LEU 31 N 2.62 2.59 -4.76 3.45 -0.00 -1.26 -2.88 117.00 116.75 1rf2 n LEU 31 Ca -0.15 -1.69 -0.39 0.00 -0.00 0.00 0.00 56.01 53.79 1rf2 n LEU 31 Cb 0.55 -0.15 0.01 0.00 -0.00 0.00 0.00 43.42 43.83 1rf2 n LEU 31 CO 0.24 0.61 0.96 0.00 -0.00 0.00 0.00 177.39 179.20 1rf2 s ALA 32 N -0.97 3.06 0.16 1.47 0.00 -1.26 -4.81 121.76 119.42 1rf2 s ALA 32 Ca 0.19 1.25 -0.31 0.00 0.00 0.00 0.00 51.96 53.09 1rf2 s ALA 32 Cb 0.11 -3.51 -0.11 0.00 0.00 0.00 0.00 23.12 19.61 1rf2 s ALA 32 CO 0.15 -1.03 1.74 0.20 0.00 0.00 0.00 175.76 176.82 1rf2 s GLY 33 N -0.89 1.32 0.00 0.00 0.00 -1.26 -1.13 107.32 105.36 1rf2 s GLY 33 Ca 0.64 1.49 0.00 0.00 0.00 0.00 0.00 44.72 46.84 1rf2 s GLY 33 CO 0.47 2.96 0.00 0.28 0.00 0.00 0.00 173.10 176.81 1rf2 n LYS 34 N 4.75 -0.36 -2.63 2.90 4.76 -1.26 -4.82 118.16 121.49 1rf2 n LYS 34 Ca 0.16 0.09 -0.06 0.00 -2.87 0.00 0.00 58.31 55.64 1rf2 n LYS 34 Cb 0.37 -3.44 0.04 0.00 -1.84 0.00 0.00 35.03 30.16 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 -1.82 2.19 -2.61 1.97 5.12 -0.29 -4.96 116.66 116.27 1rf2 n ARG 35 Ca 0.00 -3.67 -0.41 0.00 -1.93 0.00 0.00 57.85 51.84 1rf2 n ARG 35 Cb 0.09 -1.77 -0.03 0.00 -1.16 0.00 0.00 32.46 29.59 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 -3.75 3.60 0.24 5.56 8.01 -1.10 -4.32 118.70 126.94 1rf2 s GLU 36 Ca 0.33 -1.21 -0.14 0.00 0.01 0.00 0.00 54.97 53.96 1rf2 s GLU 36 Cb 0.34 -5.31 0.00 0.00 -4.31 0.00 0.00 34.13 24.86 1rf2 s GLU 36 CO -0.02 -2.16 0.50 0.00 0.01 0.00 0.00 175.26 173.60 1rf2 s MET 37 N 4.69 1.54 0.08 1.61 0.23 -1.14 -4.17 119.30 122.14 1rf2 s MET 37 Ca 0.44 -1.18 0.08 0.00 -1.03 0.00 0.00 55.69 54.01 1rf2 s MET 37 Cb -0.01 0.49 -0.03 0.00 -1.53 0.00 0.00 34.83 33.75 1rf2 s MET 37 CO -0.10 -0.65 -0.22 0.00 -2.03 0.00 0.00 175.02 172.03 1rf2 s ALA 38 N -3.99 1.87 -0.06 3.16 0.00 -1.20 -1.63 121.76 119.92 1rf2 s ALA 38 Ca 0.19 -1.21 0.02 0.00 0.00 0.00 0.00 51.96 50.97 1rf2 s ALA 38 Cb -0.01 -0.30 0.01 0.00 0.00 0.00 0.00 23.12 22.82 1rf2 s ALA 38 CO 0.07 0.40 -0.11 0.42 0.00 0.00 0.00 175.76 176.54 1rf2 s ILE 39 N -1.01 1.06 0.19 0.00 1.01 -0.05 -0.92 121.20 121.48 1rf2 s ILE 39 Ca 0.08 -0.44 0.11 0.00 0.00 0.00 0.00 60.65 60.40 1rf2 s ILE 39 Cb -0.10 -0.97 -0.04 0.00 0.01 0.00 0.00 42.46 41.36 1rf2 s ILE 39 CO 0.03 0.34 -0.24 0.27 0.00 0.00 0.00 174.94 175.34 1rf2 s ILE 40 N 0.63 2.37 0.18 2.92 -4.36 -0.08 -0.70 121.20 122.16 1rf2 s ILE 40 Ca -0.13 -2.03 0.05 0.00 -0.26 0.00 0.00 60.65 58.27 1rf2 s ILE 40 Cb -0.15 -2.14 -0.05 0.00 1.25 0.00 0.00 42.46 41.37 1rf2 s ILE 40 CO 0.03 -0.12 -0.08 0.42 0.24 0.00 0.00 174.94 175.43 1rf2 s THR 41 N -1.68 1.22 0.34 8.37 -4.23 -0.81 -1.12 115.64 117.72 1rf2 s THR 41 Ca 0.21 -2.07 0.09 0.00 -1.18 0.00 0.00 61.69 58.74 1rf2 s THR 41 Cb -0.08 -2.02 -0.06 0.00 1.34 0.00 0.00 72.50 71.69 1rf2 s THR 41 CO 0.10 -0.61 -0.03 -0.36 -0.54 0.00 0.00 174.62 173.18 1rf2 s PHE 42 N -3.30 2.50 0.47 3.99 0.08 -0.53 -0.43 117.98 120.75 1rf2 s PHE 42 Ca 0.21 -0.45 0.14 0.00 0.12 0.00 0.00 56.93 56.95 1rf2 s PHE 42 Cb 0.03 -1.43 1.10 0.00 -0.57 0.00 0.00 43.02 42.15 1rf2 s PHE 42 CO 0.04 0.52 2.06 -0.22 -0.10 0.00 0.00 175.22 177.52 1rf2 h LYS 43 N 1.89 0.26 0.00 0.44 1.63 -1.90 0.25 116.57 119.14 1rf2 h LYS 43 Ca -0.42 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.36 1rf2 h LYS 43 Cb 1.25 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.82 1rf2 h LYS 43 CO 0.67 0.17 0.00 0.27 -3.45 0.00 0.00 179.45 177.12 1rf2 n ASN 44 N -4.48 0.00 0.00 4.20 6.94 -1.26 -4.86 115.26 115.79 1rf2 n ASN 44 Ca 0.03 -0.28 0.00 0.00 -0.02 0.00 0.00 54.58 54.31 1rf2 n ASN 44 Cb 0.21 -0.14 0.00 0.00 -2.36 0.00 0.00 39.78 37.48 1rf2 n ASN 44 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1rf2 n GLY 45 N 0.22 2.44 3.72 4.83 0.00 0.08 -5.05 105.19 111.43 1rf2 n GLY 45 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.93 2.20 -2.61 4.61 0.00 -1.26 -4.71 120.51 116.81 1rf2 n ALA 46 Ca 0.00 0.39 -0.25 0.00 0.00 0.00 0.00 53.44 53.58 1rf2 n ALA 46 Cb 0.00 -2.42 -0.16 0.00 0.00 0.00 0.00 19.45 16.87 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 0.26 1.42 0.02 0.00 2.01 -1.26 -1.45 115.64 116.63 1rf2 s THR 47 Ca 0.68 -0.75 -0.03 0.00 0.31 0.00 0.00 61.69 61.90 1rf2 s THR 47 Cb -0.55 -1.19 -0.01 0.00 0.01 0.00 0.00 72.50 70.76 1rf2 s THR 47 CO 0.45 0.40 0.03 -0.36 -0.69 0.00 0.00 174.62 174.46 1rf2 s PHE 48 N -0.28 0.19 0.15 4.92 0.08 -0.28 -4.00 117.98 118.77 1rf2 s PHE 48 Ca 0.04 -0.41 0.10 0.00 0.12 0.00 0.00 56.93 56.78 1rf2 s PHE 48 Cb -0.08 -0.15 -0.04 0.00 -0.57 0.00 0.00 43.02 42.18 1rf2 s PHE 48 CO 0.00 -0.23 -0.22 1.14 -0.10 0.00 0.00 175.22 175.81 1rf2 s GLN 49 N -1.53 1.59 -0.36 0.44 -2.07 -0.35 -0.91 119.66 116.48 1rf2 s GLN 49 Ca -0.15 -1.36 -0.17 0.00 -1.82 0.00 0.00 55.36 51.86 1rf2 s GLN 49 Cb -0.09 -1.96 -0.00 0.00 -1.09 0.00 0.00 33.01 29.87 1rf2 s GLN 49 CO -0.00 0.44 0.47 0.08 -1.32 0.00 0.00 175.29 174.95 1rf2 s VAL 50 N -1.33 5.06 0.67 3.63 1.01 -0.10 -0.59 120.40 128.74 1rf2 s VAL 50 Ca 0.18 0.20 -0.17 0.00 0.00 0.00 0.00 61.98 62.19 1rf2 s VAL 50 Cb -0.09 -3.94 0.00 0.00 0.00 0.00 0.00 36.38 32.35 1rf2 s VAL 50 CO 0.09 -0.21 1.27 -1.61 0.00 0.00 0.00 175.10 174.64 1rf2 s GLU 51 N 2.28 2.43 0.23 2.72 2.02 -1.26 -3.25 118.70 123.87 1rf2 s GLU 51 Ca 0.16 1.97 -0.32 0.00 0.02 0.00 0.00 54.97 56.81 1rf2 s GLU 51 Cb -0.16 -1.84 -0.13 0.00 0.10 0.00 0.00 34.13 32.10 1rf2 s GLU 51 CO 0.13 -1.66 1.59 0.28 0.02 0.00 0.00 175.26 175.62 1rf2 n VAL 52 N -2.14 0.51 -1.74 2.63 0.31 -1.26 -4.88 118.33 111.77 1rf2 n VAL 52 Ca 0.15 -0.13 -0.42 0.00 -0.01 0.00 0.00 64.34 63.93 1rf2 n VAL 52 Cb 0.49 -1.79 -0.02 0.00 -0.91 0.00 0.00 33.84 31.61 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 2.90 2.60 -1.62 5.55 -0.02 -1.26 -4.95 135.00 138.19 1rf2 n PRO 53 Ca 0.13 0.92 -0.01 0.00 -2.02 0.00 0.00 63.50 62.52 1rf2 n PRO 53 Cb 0.34 -2.68 -0.00 0.00 -0.02 0.00 0.00 33.50 31.13 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 2.01 2.57 0.07 -1.23 0.00 -1.26 -5.03 105.19 102.32 1rf2 n GLY 54 Ca 0.08 -1.26 0.10 0.00 0.00 0.00 0.00 46.02 44.94 1rf2 n GLY 54 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1rf2 n SER 55 N -1.67 0.36 0.07 1.61 3.41 -1.26 -1.48 113.62 114.65 1rf2 n SER 55 Ca -0.00 0.59 0.12 0.00 -0.26 0.00 0.00 58.87 59.32 1rf2 n SER 55 Cb 0.06 -0.66 0.47 0.00 -0.26 0.00 0.00 64.21 63.82 1rf2 n SER 55 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rf2 n GLN 56 N -1.89 0.15 -3.74 4.33 0.00 -1.26 -4.80 117.38 110.17 1rf2 n GLN 56 Ca 0.03 0.21 -0.37 0.00 0.00 0.00 0.00 57.00 56.87 1rf2 n GLN 56 Cb 0.20 -1.71 -0.06 0.00 0.00 0.00 0.00 30.24 28.67 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 -3.11 3.58 0.56 2.61 3.76 -0.55 -5.10 115.29 117.04 1rf2 s HIS 57 Ca 0.10 0.60 -0.06 0.00 -0.15 0.00 0.00 55.06 55.54 1rf2 s HIS 57 Cb 0.13 -2.09 -0.02 0.00 1.11 0.00 0.00 32.58 31.71 1rf2 s HIS 57 CO 0.50 0.59 0.88 0.96 -0.85 0.00 0.00 174.74 176.81 1rf2 s ILE 58 N -0.63 4.28 0.27 0.60 -4.36 -1.26 -4.88 121.20 115.22 1rf2 s ILE 58 Ca 0.16 0.21 -0.01 0.00 -0.26 0.00 0.00 60.65 60.75 1rf2 s ILE 58 Cb -0.13 -3.67 0.26 0.00 1.25 0.00 0.00 42.46 40.17 1rf2 s ILE 58 CO 0.05 -0.71 1.84 -0.78 0.24 0.00 0.00 174.94 175.58 1rf2 h ASP 59 N -0.05 0.91 0.15 4.36 3.58 -1.98 -0.72 116.42 122.66 1rf2 h ASP 59 Ca -0.46 0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.02 1rf2 h ASP 59 Cb 1.23 -0.15 -0.00 0.00 1.72 0.00 0.00 39.33 42.13 1rf2 h ASP 59 CO 0.61 0.52 -0.04 0.77 -2.88 0.00 0.00 179.24 178.23 1rf2 h SER 60 N 1.01 0.00 1.67 2.28 4.64 -2.04 -1.38 113.55 119.72 1rf2 h SER 60 Ca 0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.77 1rf2 h SER 60 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1rf2 h SER 60 CO -0.23 0.04 0.00 1.56 -0.87 0.00 0.00 176.83 177.33 1rf2 h GLN 61 N 0.00 0.00 0.06 4.77 4.20 -1.50 -3.36 115.11 119.28 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 0.13 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 1rf2 h GLN 61 CO 0.01 0.00 -0.13 0.87 -0.67 0.00 0.00 178.83 178.90 1rf2 h LYS 62 N 0.00 -0.24 -0.23 1.46 1.79 -1.29 0.89 116.57 118.94 1rf2 h LYS 62 Ca 0.00 0.02 -0.05 0.00 -2.18 0.00 0.00 60.65 58.43 1rf2 h LYS 62 Cb 0.83 0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.53 1rf2 h LYS 62 CO 0.00 -0.16 -0.09 0.87 -1.08 0.00 0.00 179.45 178.99 1rf2 h LYS 63 N -0.25 0.36 -0.14 3.15 1.57 -1.75 -2.65 116.57 116.86 1rf2 h LYS 63 Ca 0.03 -0.08 -0.14 0.00 -1.87 0.00 0.00 60.65 58.58 1rf2 h LYS 63 Cb 0.28 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.53 1rf2 h LYS 63 CO -0.09 0.46 -0.51 0.00 -0.57 0.00 0.00 179.45 178.74 1rf2 h ALA 64 N 1.57 0.86 -0.57 3.86 0.00 -1.50 -1.43 119.26 122.05 1rf2 h ALA 64 Ca 0.07 -0.49 0.01 0.00 0.00 0.00 0.00 54.91 54.50 1rf2 h ALA 64 Cb 0.37 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1rf2 h ALA 64 CO 0.02 0.67 0.37 0.82 0.00 0.00 0.00 179.25 181.13 1rf2 h ILE 65 N 0.30 1.12 -0.61 0.00 2.04 -0.51 -0.53 117.51 119.33 1rf2 h ILE 65 Ca 0.01 -0.26 -0.09 0.00 1.00 0.00 0.00 64.86 65.52 1rf2 h ILE 65 Cb 1.01 0.31 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 1rf2 h ILE 65 CO 0.09 0.14 0.03 -0.33 0.00 0.00 0.00 178.15 178.07 1rf2 h GLU 66 N 0.75 1.04 -0.71 2.37 4.39 -1.20 -2.34 114.58 118.89 1rf2 h GLU 66 Ca 0.21 -0.31 -0.02 0.00 0.34 0.00 0.00 59.36 59.58 1rf2 h GLU 66 Cb -0.06 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.45 1rf2 h GLU 66 CO -0.06 1.00 0.35 -0.09 -1.16 0.00 0.00 179.01 179.05 1rf2 h ARG 67 N 0.96 1.01 -0.73 2.33 2.43 -1.04 -2.10 114.38 117.24 1rf2 h ARG 67 Ca 0.18 -0.14 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 1rf2 h ARG 67 Cb 0.51 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.84 1rf2 h ARG 67 CO 0.02 0.79 0.41 1.98 -1.51 0.00 0.00 179.97 181.66 1rf2 h MET 68 N 0.98 1.01 -0.85 0.20 4.05 -0.79 0.81 114.93 120.35 1rf2 h MET 68 Ca 0.24 -0.11 -0.02 0.00 -0.28 0.00 0.00 59.70 59.53 1rf2 h MET 68 Cb 0.10 -0.20 -0.04 0.00 -0.80 0.00 0.00 31.60 30.66 1rf2 h MET 68 CO -0.03 0.75 0.46 0.87 0.23 0.00 0.00 176.91 179.18 1rf2 h LYS 69 N 1.00 1.19 -0.51 0.39 1.57 -1.18 -0.58 116.57 118.45 1rf2 h LYS 69 Ca 0.26 -0.14 0.05 0.00 -1.87 0.00 0.00 60.65 58.94 1rf2 h LYS 69 Cb 0.02 -0.23 -0.05 0.00 0.08 0.00 0.00 32.23 32.06 1rf2 h LYS 69 CO -0.04 0.88 0.25 -0.44 -0.57 0.00 0.00 179.45 179.52 1rf2 h ASP 70 N 1.18 0.35 -0.52 0.86 3.32 -0.64 -2.19 116.42 118.80 1rf2 h ASP 70 Ca 0.30 0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.34 1rf2 h ASP 70 Cb 0.04 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1rf2 h ASP 70 CO -0.05 0.24 0.18 0.74 -1.72 0.00 0.00 179.24 178.64 1rf2 h THR 71 N 0.49 1.22 -0.70 0.35 2.02 -0.31 -2.30 112.91 113.68 1rf2 h THR 71 Ca 0.23 -0.73 -0.07 0.00 0.77 0.00 0.00 66.41 66.61 1rf2 h THR 71 Cb 0.14 0.73 -0.03 0.00 -1.74 0.00 0.00 68.15 67.26 1rf2 h THR 71 CO -0.16 0.27 0.18 -0.07 0.37 0.00 0.00 175.52 176.11 1rf2 h LEU 72 N 0.70 1.05 -0.10 2.58 3.38 -1.00 0.24 115.31 122.15 1rf2 h LEU 72 Ca 0.17 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1rf2 h LEU 72 Cb 0.24 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 1rf2 h LEU 72 CO -0.01 1.00 0.03 -0.09 0.09 0.00 0.00 178.44 179.47 1rf2 h ARG 73 N 1.05 0.16 -0.10 1.13 2.43 -1.23 -0.10 114.38 117.72 1rf2 h ARG 73 Ca 0.22 -0.04 -0.14 0.00 -0.81 0.00 0.00 59.98 59.21 1rf2 h ARG 73 Cb 0.36 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 1rf2 h ARG 73 CO 0.00 0.31 -0.57 0.97 -1.51 0.00 0.00 179.97 179.18 1rf2 h ILE 74 N -0.02 1.36 -0.46 1.20 6.09 -1.32 -1.14 117.51 123.21 1rf2 h ILE 74 Ca 0.03 -1.88 0.00 0.00 -1.37 0.00 0.00 64.86 61.64 1rf2 h ILE 74 Cb 0.22 1.91 -0.02 0.00 0.47 0.00 0.00 36.82 39.40 1rf2 h ILE 74 CO -0.00 0.56 0.30 0.00 -3.07 0.00 0.00 178.15 175.94 1rf2 h ALA 75 N 1.17 0.59 -0.08 0.18 0.00 -0.85 -0.94 119.26 119.33 1rf2 h ALA 75 Ca -0.00 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1rf2 h ALA 75 Cb 1.07 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1rf2 h ALA 75 CO 0.09 0.04 -0.01 -0.92 0.00 0.00 0.00 179.25 178.46 1rf2 h TYR 76 N 0.62 -0.01 0.00 0.00 3.20 -0.68 -1.51 116.97 118.59 1rf2 h TYR 76 Ca 0.17 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.97 1rf2 h TYR 76 Cb -0.06 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 38.22 1rf2 h TYR 76 CO -0.04 -0.02 -0.35 -0.07 -1.64 0.00 0.00 178.16 176.04 1rf2 h LEU 77 N 0.02 0.00 -1.37 2.82 3.38 -0.92 -2.56 115.31 116.68 1rf2 h LEU 77 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 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 -0.06 0.35 -0.10 0.35 0.09 0.00 0.00 178.44 179.07 1rf2 n THR 78 N -3.83 0.00 -2.68 0.22 -2.24 -0.39 -4.95 114.28 100.41 1rf2 n THR 78 Ca -0.01 -0.36 -0.21 0.00 -2.27 0.00 0.00 64.05 61.20 1rf2 n THR 78 Cb 0.42 1.07 0.01 0.00 -2.10 0.00 0.00 70.33 69.74 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 0.61 -3.16 -2.16 -0.78 1.02 -0.63 -4.94 120.64 110.59 1rf2 n GLU 79 Ca 0.15 0.94 -0.42 0.00 -0.02 0.00 0.00 57.16 57.81 1rf2 n GLU 79 Cb 0.49 -5.67 -0.03 0.00 -0.02 0.00 0.00 31.44 26.21 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 -3.09 3.57 0.05 0.62 0.00 -0.81 -4.74 121.76 117.36 1rf2 s ALA 80 Ca 0.14 1.15 -0.31 0.00 0.00 0.00 0.00 51.96 52.94 1rf2 s ALA 80 Cb -0.06 -3.52 -0.07 0.00 0.00 0.00 0.00 23.12 19.47 1rf2 s ALA 80 CO 0.18 -0.60 1.49 0.21 0.00 0.00 0.00 175.76 177.04 1rf2 s LYS 81 N 0.43 4.25 -0.15 0.00 2.20 -1.26 -4.31 119.74 120.91 1rf2 s LYS 81 Ca 0.61 2.13 -0.24 0.00 -0.36 0.00 0.00 55.97 58.11 1rf2 s LYS 81 Cb -0.37 -3.52 -0.02 0.00 -1.51 0.00 0.00 37.83 32.41 1rf2 s LYS 81 CO 0.35 -0.61 0.76 0.08 -0.36 0.00 0.00 175.35 175.57 1rf2 s VAL 82 N 2.24 4.95 -0.02 4.02 1.01 0.08 -3.45 120.40 129.23 1rf2 s VAL 82 Ca 0.68 1.50 -0.00 0.00 0.00 0.00 0.00 61.98 64.15 1rf2 s VAL 82 Cb -0.36 -4.08 -0.00 0.00 0.00 0.00 0.00 36.38 31.95 1rf2 s VAL 82 CO 0.29 0.10 0.03 -0.08 0.00 0.00 0.00 175.10 175.44 1rf2 h GLU 83 N 7.23 -0.01 -5.15 2.72 4.81 -1.09 0.54 114.58 123.64 1rf2 h GLU 83 Ca -0.33 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 58.54 1rf2 h GLU 83 Cb 1.15 0.00 -0.19 0.00 0.63 0.00 0.00 28.75 30.34 1rf2 h GLU 83 CO 0.80 -0.00 -0.75 0.15 -0.73 0.00 0.00 179.01 178.48 1rf2 s LYS 84 N -1.15 0.86 -0.05 1.92 1.02 -1.16 -0.54 119.74 120.64 1rf2 s LYS 84 Ca -0.00 -1.10 0.05 0.00 0.02 0.00 0.00 55.97 54.95 1rf2 s LYS 84 Cb 0.00 -0.68 -0.01 0.00 -0.52 0.00 0.00 37.83 36.62 1rf2 s LYS 84 CO 0.00 0.13 -0.22 -0.51 -0.92 0.00 0.00 175.35 173.84 1rf2 s LEU 85 N -2.21 2.00 -0.22 3.17 1.43 -0.24 -0.99 118.68 121.63 1rf2 s LEU 85 Ca 0.03 -0.43 -0.14 0.00 -1.03 0.00 0.00 54.13 52.56 1rf2 s LEU 85 Cb -0.06 -1.18 -0.04 0.00 0.03 0.00 0.00 46.19 44.94 1rf2 s LEU 85 CO 0.01 0.21 0.32 0.00 0.23 0.00 0.00 176.35 177.13 1rf2 s VAL 87 N 1.25 1.19 -0.08 0.00 -7.23 -0.40 -0.65 120.40 114.48 1rf2 s VAL 87 Ca 0.15 -1.65 -0.26 0.00 -1.81 0.00 0.00 61.98 58.41 1rf2 s VAL 87 Cb -0.14 -1.43 -0.03 0.00 0.56 0.00 0.00 36.38 35.34 1rf2 s VAL 87 CO 0.07 -0.44 0.81 0.26 -0.31 0.00 0.00 175.10 175.49 1rf2 s TRP 88 N -2.14 3.55 -1.89 2.82 0.51 0.48 -1.40 118.94 120.87 1rf2 s TRP 88 Ca 0.07 1.36 0.21 0.00 -2.12 0.00 0.00 56.10 55.62 1rf2 s TRP 88 Cb -0.05 -2.95 0.57 0.00 -0.81 0.00 0.00 33.47 30.23 1rf2 s TRP 88 CO 0.02 -0.04 1.48 0.27 -0.51 0.00 0.00 176.95 178.16 1rf2 n ASN 89 N 4.28 3.75 -1.65 2.95 0.23 0.05 -1.82 115.26 123.05 1rf2 n ASN 89 Ca 0.02 -1.99 0.06 0.00 -0.53 0.00 0.00 54.58 52.14 1rf2 n ASN 89 Cb 0.50 -0.42 0.34 0.00 -2.08 0.00 0.00 39.78 38.12 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 1.47 4.91 -4.13 0.53 6.94 -1.26 -4.88 115.26 118.85 1rf2 n ASN 90 Ca 0.22 -2.74 -0.12 0.00 -0.02 0.00 0.00 54.58 51.92 1rf2 n ASN 90 Cb 0.59 -0.64 -0.11 0.00 -2.36 0.00 0.00 39.78 37.26 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 -2.41 0.71 -0.07 -3.83 -0.14 -1.26 -5.10 119.74 107.65 1rf2 s LYS 91 Ca 0.46 -1.05 0.01 0.00 -1.36 0.00 0.00 55.97 54.03 1rf2 s LYS 91 Cb 0.34 -0.32 0.02 0.00 -1.68 0.00 0.00 37.83 36.19 1rf2 s LYS 91 CO 0.14 0.03 -0.08 0.99 -0.76 0.00 0.00 175.35 175.68 1rf2 s THR 92 N -2.42 0.90 0.90 2.17 2.01 -1.26 -2.82 115.64 115.13 1rf2 s THR 92 Ca 0.01 -0.30 -0.12 0.00 0.31 0.00 0.00 61.69 61.59 1rf2 s THR 92 Cb -0.03 -0.88 0.10 0.00 0.01 0.00 0.00 72.50 71.70 1rf2 s THR 92 CO -0.02 0.32 0.90 -2.65 -0.69 0.00 0.00 174.62 172.48 1rf2 n PRO 93 N 4.20 -0.28 -1.65 4.92 -0.02 -1.26 -5.05 135.00 135.86 1rf2 n PRO 93 Ca -0.20 -0.02 -0.43 0.00 -2.02 0.00 0.00 63.50 60.83 1rf2 n PRO 93 Cb 0.51 -2.20 -0.01 0.00 -0.02 0.00 0.00 33.50 31.78 1rf2 n PRO 93 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1rf2 n HIS 94 N -3.83 1.78 -3.55 6.00 8.25 -1.13 -4.48 115.22 118.27 1rf2 n HIS 94 Ca 0.10 0.61 -0.37 0.00 -0.26 0.00 0.00 57.72 57.81 1rf2 n HIS 94 Cb 0.52 -2.33 -0.08 0.00 1.12 0.00 0.00 29.99 29.22 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 -1.11 3.60 -0.02 -1.41 0.00 -0.75 -1.21 121.76 120.86 1rf2 s ALA 95 Ca 0.58 -0.60 -0.30 0.00 0.00 0.00 0.00 51.96 51.63 1rf2 s ALA 95 Cb -0.61 -2.41 -0.04 0.00 0.00 0.00 0.00 23.12 20.05 1rf2 s ALA 95 CO 0.61 -0.07 1.28 0.42 0.00 0.00 0.00 175.76 177.99 1rf2 s ILE 96 N 0.82 4.01 -0.22 0.00 1.01 0.24 -0.39 121.20 126.68 1rf2 s ILE 96 Ca 0.14 1.38 0.07 0.00 0.00 0.00 0.00 60.65 62.24 1rf2 s ILE 96 Cb -0.13 -3.88 -0.18 0.00 0.01 0.00 0.00 42.46 38.27 1rf2 s ILE 96 CO 0.04 0.01 -0.11 0.00 0.00 0.00 0.00 174.94 174.89 1rf2 n ALA 97 N 5.08 1.51 -3.32 9.38 0.00 0.18 -4.83 120.51 128.50 1rf2 n ALA 97 Ca 0.11 -1.09 -0.13 0.00 0.00 0.00 0.00 53.44 52.33 1rf2 n ALA 97 Cb 0.45 -0.08 -0.04 0.00 0.00 0.00 0.00 19.45 19.78 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 -2.46 -1.41 0.02 0.00 0.00 -0.93 -4.98 121.76 112.00 1rf2 s ALA 98 Ca -0.23 0.53 0.03 0.00 0.00 0.00 0.00 51.96 52.29 1rf2 s ALA 98 Cb 0.07 0.57 -0.01 0.00 0.00 0.00 0.00 23.12 23.75 1rf2 s ALA 98 CO 0.63 -0.61 -0.10 -1.50 0.00 0.00 0.00 175.76 174.18 1rf2 s ILE 99 N -2.99 0.74 -0.00 0.00 2.07 -1.26 -1.19 121.20 118.56 1rf2 s ILE 99 Ca -0.02 -0.71 0.07 0.00 -1.41 0.00 0.00 60.65 58.57 1rf2 s ILE 99 Cb -0.00 -0.69 -0.02 0.00 0.13 0.00 0.00 42.46 41.88 1rf2 s ILE 99 CO -0.06 -0.01 -0.21 -0.94 -1.91 0.00 0.00 174.94 171.81 1rf2 s SER 100 N -0.81 2.45 -0.07 4.50 1.04 -0.16 -5.01 113.70 115.64 1rf2 s SER 100 Ca -0.01 -0.40 0.05 0.00 0.48 0.00 0.00 55.95 56.07 1rf2 s SER 100 Cb -0.06 -0.26 -0.00 0.00 0.10 0.00 0.00 66.02 65.80 1rf2 s SER 100 CO 0.00 0.24 -0.22 -0.04 0.98 0.00 0.00 173.24 174.20 1rf2 s MET 101 N -0.61 2.50 -0.07 4.02 -1.94 -1.26 -0.61 119.30 121.32 1rf2 s MET 101 Ca 0.08 -0.80 -0.24 0.00 -1.71 0.00 0.00 55.69 53.02 1rf2 s MET 101 Cb -0.08 -2.03 0.05 0.00 2.01 0.00 0.00 34.83 34.78 1rf2 s MET 101 CO -0.00 0.26 0.54 0.00 -0.01 0.00 0.00 175.02 175.81 1rf2 s ALA 102 N 0.11 -1.39 -2.78 3.03 0.00 -1.22 -4.87 121.76 114.63 1rf2 s ALA 102 Ca -0.10 1.07 0.26 0.00 0.00 0.00 0.00 51.96 53.19 1rf2 s ALA 102 Cb -0.15 -0.17 0.57 0.00 0.00 0.00 0.00 23.12 23.38 1rf2 s ALA 102 CO 0.05 -0.32 1.48 -1.71 0.00 0.00 0.00 175.76 175.26