#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 3.40 0.00 -2.82 0.02 -1.26 -4.93 135.00 129.41 1rf2 s PRO 2 Ca 0.00 2.19 0.21 0.00 0.02 0.00 0.00 61.00 63.43 1rf2 s PRO 2 Cb 0.00 -2.39 -0.18 0.00 0.02 0.00 0.00 34.50 31.95 1rf2 s PRO 2 CO 0.00 -0.97 0.94 1.04 -0.33 0.00 0.00 177.00 177.68 1rf2 n GLN 3 N -0.70 0.22 -3.81 5.54 6.02 -1.26 -4.98 117.38 118.41 1rf2 n GLN 3 Ca 0.08 -0.18 -0.09 0.00 -0.01 0.00 0.00 57.00 56.81 1rf2 n GLN 3 Cb 0.45 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 30.18 1rf2 n GLN 3 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1rf2 s ASN 4 N -2.91 -0.26 0.38 1.08 2.20 -1.26 -5.06 114.94 109.12 1rf2 s ASN 4 Ca 0.10 -0.58 0.08 0.00 -0.94 0.00 0.00 52.86 51.52 1rf2 s ASN 4 Cb 0.16 0.65 0.75 0.00 -2.00 0.00 0.00 41.25 40.81 1rf2 s ASN 4 CO 0.81 -1.19 1.93 -0.29 -2.94 0.00 0.00 177.10 175.43 1rf2 h ILE 5 N 2.11 1.17 -0.27 0.54 2.10 -1.96 -1.84 117.51 119.35 1rf2 h ILE 5 Ca -0.25 -0.66 -0.09 0.00 1.08 0.00 0.00 64.86 64.94 1rf2 h ILE 5 Cb 1.26 1.01 -0.01 0.00 -1.09 0.00 0.00 36.82 37.99 1rf2 h ILE 5 CO 0.31 0.22 -0.19 0.74 -1.08 0.00 0.00 178.15 178.15 1rf2 h THR 6 N 0.36 1.30 -0.49 2.19 2.02 -1.99 0.27 112.91 116.57 1rf2 h THR 6 Ca 0.08 -1.33 -0.12 0.00 0.77 0.00 0.00 66.41 65.81 1rf2 h THR 6 Cb 0.28 1.57 -0.02 0.00 -1.74 0.00 0.00 68.15 68.25 1rf2 h THR 6 CO 0.01 0.42 -0.17 0.44 0.37 0.00 0.00 175.52 176.59 1rf2 h ASP 7 N 0.34 0.98 -0.28 4.18 3.32 -1.94 -2.22 116.42 120.79 1rf2 h ASP 7 Ca 0.05 -0.35 -0.00 0.00 0.02 0.00 0.00 57.03 56.75 1rf2 h ASP 7 Cb 0.73 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.00 1rf2 h ASP 7 CO 0.05 1.13 0.16 0.25 -1.72 0.00 0.00 179.24 179.11 1rf2 h LEU 8 N 0.85 0.35 -1.17 1.55 6.46 -1.21 -2.90 115.31 119.23 1rf2 h LEU 8 Ca 0.12 -0.08 0.01 0.00 -0.12 0.00 0.00 57.88 57.82 1rf2 h LEU 8 Cb 0.73 -0.09 -0.04 0.00 -0.73 0.00 0.00 40.66 40.53 1rf2 h LEU 8 CO 0.06 0.32 0.56 0.00 -0.62 0.00 0.00 178.44 178.76 1rf2 n ALA 10 N -2.41 1.63 1.29 0.00 0.00 -0.85 -2.42 120.51 117.75 1rf2 n ALA 10 Ca 0.10 -0.05 0.13 0.00 0.00 0.00 0.00 53.44 53.62 1rf2 n ALA 10 Cb 0.04 -1.22 0.69 0.00 0.00 0.00 0.00 19.45 18.95 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 -1.49 0.38 -4.45 0.00 1.02 -0.67 -4.85 120.64 110.59 1rf2 n GLU 11 Ca 0.03 0.03 -0.28 0.00 -0.02 0.00 0.00 57.16 56.93 1rf2 n GLU 11 Cb 0.16 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 29.94 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 -2.57 2.13 0.59 -0.32 1.51 -1.01 -5.14 117.35 112.53 1rf2 s TYR 12 Ca 0.26 -0.39 -0.13 0.00 -1.01 0.00 0.00 57.07 55.79 1rf2 s TYR 12 Cb 0.18 -1.18 -0.05 0.00 -0.11 0.00 0.00 41.96 40.80 1rf2 s TYR 12 CO 0.42 0.26 1.02 -1.01 -1.11 0.00 0.00 175.55 175.12 1rf2 s HIS 13 N -1.03 3.49 -1.59 2.71 3.76 -1.26 -4.21 115.29 117.16 1rf2 s HIS 13 Ca 0.11 1.37 -0.04 0.00 -0.15 0.00 0.00 55.06 56.36 1rf2 s HIS 13 Cb -0.10 -2.77 0.01 0.00 1.11 0.00 0.00 32.58 30.82 1rf2 s HIS 13 CO 0.05 -0.64 0.52 0.09 -0.85 0.00 0.00 174.74 173.91 1rf2 n ASN 14 N -2.33 -6.04 -4.47 1.40 4.13 -1.26 -4.96 115.26 101.73 1rf2 n ASN 14 Ca 0.06 -0.25 -0.24 0.00 1.68 0.00 0.00 54.58 55.84 1rf2 n ASN 14 Cb 0.54 -4.91 -0.10 0.00 -1.54 0.00 0.00 39.78 33.77 1rf2 n ASN 14 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1rf2 s THR 15 N -3.15 2.31 0.12 3.41 -4.23 -1.26 -0.45 115.64 112.38 1rf2 s THR 15 Ca 0.26 -2.33 -0.16 0.00 -1.18 0.00 0.00 61.69 58.28 1rf2 s THR 15 Cb -0.12 -2.35 0.04 0.00 1.34 0.00 0.00 72.50 71.40 1rf2 s THR 15 CO 0.33 -0.37 0.40 0.00 -0.54 0.00 0.00 174.62 174.43 1rf2 s GLN 16 N -3.56 1.05 -0.10 3.99 -2.07 -0.23 -4.88 119.66 113.86 1rf2 s GLN 16 Ca 0.30 -0.67 -0.17 0.00 -1.82 0.00 0.00 55.36 53.00 1rf2 s GLN 16 Cb -0.03 0.46 -0.05 0.00 -1.09 0.00 0.00 33.01 32.31 1rf2 s GLN 16 CO 0.14 -0.41 0.44 0.42 -1.32 0.00 0.00 175.29 174.57 1rf2 s ILE 17 N -3.66 5.17 -0.18 3.63 -1.09 -1.26 -1.17 121.20 122.64 1rf2 s ILE 17 Ca 0.02 0.88 -0.05 0.00 -2.23 0.00 0.00 60.65 59.26 1rf2 s ILE 17 Cb 0.02 -3.77 -0.03 0.00 -1.58 0.00 0.00 42.46 37.09 1rf2 s ILE 17 CO -0.11 0.38 0.01 -1.00 -1.23 0.00 0.00 174.94 172.99 1rf2 s HIS 18 N 0.30 3.10 -0.28 3.97 3.76 0.06 -4.99 115.29 121.20 1rf2 s HIS 18 Ca 0.24 -0.24 -0.11 0.00 -0.15 0.00 0.00 55.06 54.80 1rf2 s HIS 18 Cb -0.15 -2.05 -0.05 0.00 1.11 0.00 0.00 32.58 31.44 1rf2 s HIS 18 CO 0.10 -0.06 0.21 0.99 -0.85 0.00 0.00 174.74 175.13 1rf2 s THR 19 N 0.64 5.30 -0.23 1.30 2.01 -1.26 -1.18 115.64 122.22 1rf2 s THR 19 Ca 0.00 0.20 -0.10 0.00 0.31 0.00 0.00 61.69 62.11 1rf2 s THR 19 Cb -0.14 -3.55 -0.11 0.00 0.01 0.00 0.00 72.50 68.72 1rf2 s THR 19 CO 0.02 0.24 -0.28 0.18 -0.69 0.00 0.00 174.62 174.08 1rf2 n LEU 20 N 5.09 1.81 -4.10 4.42 7.99 0.45 -5.00 117.00 127.65 1rf2 n LEU 20 Ca -0.13 0.23 -0.30 0.00 -0.01 0.00 0.00 56.01 55.80 1rf2 n LEU 20 Cb 0.52 -0.69 -0.05 0.00 -0.11 0.00 0.00 43.42 43.09 1rf2 n LEU 20 CO 0.33 0.53 -0.32 0.59 -1.51 0.00 0.00 177.39 177.01 1rf2 n ASN 21 N -3.92 -0.37 -3.46 -1.43 3.02 0.19 -4.95 115.26 104.34 1rf2 n ASN 21 Ca -0.45 -1.15 -0.13 0.00 -0.03 0.00 0.00 54.58 52.82 1rf2 n ASN 21 Cb 0.84 -2.34 -0.03 0.00 -0.61 0.00 0.00 39.78 37.63 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 -4.26 -0.56 0.74 6.41 2.15 -0.74 -4.91 116.67 115.51 1rf2 s ASP 22 Ca 0.07 0.14 -0.11 0.00 0.43 0.00 0.00 52.55 53.08 1rf2 s ASP 22 Cb -0.03 0.57 0.03 0.00 -0.30 0.00 0.00 42.92 43.19 1rf2 s ASP 22 CO 0.94 -0.87 1.07 -1.59 -0.17 0.00 0.00 175.17 174.55 1rf2 s LYS 23 N -3.15 2.58 0.11 4.34 -2.85 -1.26 -0.87 119.74 118.64 1rf2 s LYS 23 Ca -0.02 0.94 -0.31 0.00 -1.00 0.00 0.00 55.97 55.59 1rf2 s LYS 23 Cb -0.01 -1.95 -0.07 0.00 -2.06 0.00 0.00 37.83 33.74 1rf2 s LYS 23 CO -0.08 -1.35 1.24 0.42 0.10 0.00 0.00 175.35 175.69 1rf2 s ILE 24 N -3.03 3.72 -0.01 3.79 1.01 -1.26 -4.69 121.20 120.73 1rf2 s ILE 24 Ca 0.59 1.29 -0.18 0.00 0.00 0.00 0.00 60.65 62.36 1rf2 s ILE 24 Cb -0.15 -3.83 -0.33 0.00 0.01 0.00 0.00 42.46 38.16 1rf2 s ILE 24 CO 0.55 0.13 0.90 0.15 0.00 0.00 0.00 174.94 176.67 1rf2 h PHE 25 N 6.32 0.77 -3.79 3.97 3.57 -0.98 -3.48 116.94 123.33 1rf2 h PHE 25 Ca -0.43 -0.57 -0.15 0.00 3.53 0.00 0.00 57.97 60.36 1rf2 h PHE 25 Cb 1.21 -0.03 -0.20 0.00 2.79 0.00 0.00 35.95 39.73 1rf2 h PHE 25 CO 0.65 1.49 -0.58 -1.54 -2.23 0.00 0.00 178.31 176.10 1rf2 s SER 26 N -7.31 0.16 -0.09 0.41 1.04 -0.94 -4.97 113.70 102.00 1rf2 s SER 26 Ca -0.12 -0.44 0.00 0.00 0.48 0.00 0.00 55.95 55.88 1rf2 s SER 26 Cb 0.03 0.18 0.02 0.00 0.10 0.00 0.00 66.02 66.35 1rf2 s SER 26 CO 0.89 -0.40 -0.08 -0.47 0.98 0.00 0.00 173.24 174.15 1rf2 s TYR 27 N -1.88 1.40 -0.03 5.02 5.04 -1.26 -1.78 117.35 123.86 1rf2 s TYR 27 Ca -0.11 -0.62 0.05 0.00 -2.44 0.00 0.00 57.07 53.94 1rf2 s TYR 27 Cb -0.06 -1.13 -0.01 0.00 0.35 0.00 0.00 41.96 41.11 1rf2 s TYR 27 CO -0.02 -0.42 -0.19 0.99 -1.34 0.00 0.00 175.55 174.58 1rf2 s THR 28 N 1.36 1.55 0.00 4.34 2.01 0.09 -5.01 115.64 119.97 1rf2 s THR 28 Ca -0.02 -0.81 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 71.06 1rf2 s THR 28 CO -0.04 0.44 -0.01 -0.70 -0.69 0.00 0.00 174.62 173.62 1rf2 s GLU 29 N -0.22 0.08 -0.01 4.92 2.12 -1.26 -0.82 118.70 123.50 1rf2 s GLU 29 Ca 0.02 -0.15 0.04 0.00 0.36 0.00 0.00 54.97 55.24 1rf2 s GLU 29 Cb -0.10 0.02 -0.01 0.00 0.26 0.00 0.00 34.13 34.31 1rf2 s GLU 29 CO 0.01 -0.01 -0.12 0.45 -0.54 0.00 0.00 175.26 175.05 1rf2 s SER 30 N -0.35 1.47 0.00 -1.70 0.15 -0.63 -5.01 113.70 107.62 1rf2 s SER 30 Ca -0.04 -0.23 0.12 0.00 0.70 0.00 0.00 55.95 56.51 1rf2 s SER 30 Cb -0.02 -0.22 0.32 0.00 -1.71 0.00 0.00 66.02 64.38 1rf2 s SER 30 CO -0.00 0.14 1.24 0.00 1.20 0.00 0.00 173.24 175.81 1rf2 n LEU 31 N 2.89 2.92 -4.77 3.45 -0.00 -1.26 -2.98 117.00 117.25 1rf2 n LEU 31 Ca -0.15 -1.85 -0.39 0.00 -0.00 0.00 0.00 56.01 53.62 1rf2 n LEU 31 Cb 0.55 -0.23 -0.02 0.00 -0.00 0.00 0.00 43.42 43.72 1rf2 n LEU 31 CO 0.25 0.71 0.86 0.00 -0.00 0.00 0.00 177.39 179.20 1rf2 s ALA 32 N -1.01 3.21 0.21 1.47 0.00 -1.26 -4.83 121.76 119.55 1rf2 s ALA 32 Ca 0.25 1.01 -0.32 0.00 0.00 0.00 0.00 51.96 52.90 1rf2 s ALA 32 Cb 0.13 -3.39 -0.12 0.00 0.00 0.00 0.00 23.12 19.74 1rf2 s ALA 32 CO 0.18 -0.53 1.72 0.20 0.00 0.00 0.00 175.76 177.33 1rf2 s GLY 33 N -1.03 1.22 0.00 0.00 0.00 -1.26 -0.94 107.32 105.31 1rf2 s GLY 33 Ca 0.55 1.60 0.00 0.00 0.00 0.00 0.00 44.72 46.87 1rf2 s GLY 33 CO 0.41 2.88 0.00 0.28 0.00 0.00 0.00 173.10 176.66 1rf2 n LYS 34 N 3.94 -0.45 -2.64 2.90 4.76 -1.26 -4.81 118.16 120.59 1rf2 n LYS 34 Ca 0.16 0.11 -0.07 0.00 -2.87 0.00 0.00 58.31 55.64 1rf2 n LYS 34 Cb 0.35 -3.62 0.04 0.00 -1.84 0.00 0.00 35.03 29.96 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 -1.62 2.07 -2.65 1.97 5.12 -0.12 -4.96 116.66 116.46 1rf2 n ARG 35 Ca 0.00 -3.64 -0.42 0.00 -1.93 0.00 0.00 57.85 51.86 1rf2 n ARG 35 Cb 0.11 -1.71 -0.03 0.00 -1.16 0.00 0.00 32.46 29.68 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 -3.65 3.63 0.20 5.56 8.01 -1.14 -4.31 118.70 127.00 1rf2 s GLU 36 Ca 0.32 -1.35 -0.12 0.00 0.01 0.00 0.00 54.97 53.83 1rf2 s GLU 36 Cb 0.36 -5.27 0.00 0.00 -4.31 0.00 0.00 34.13 24.91 1rf2 s GLU 36 CO -0.02 -2.11 0.41 0.00 0.01 0.00 0.00 175.26 173.55 1rf2 s MET 37 N 4.35 1.34 0.06 1.61 0.23 -1.16 -4.18 119.30 121.56 1rf2 s MET 37 Ca 0.44 -1.13 0.08 0.00 -1.03 0.00 0.00 55.69 54.05 1rf2 s MET 37 Cb -0.01 0.44 -0.03 0.00 -1.53 0.00 0.00 34.83 33.71 1rf2 s MET 37 CO -0.08 -0.54 -0.22 0.00 -2.03 0.00 0.00 175.02 172.15 1rf2 s ALA 38 N -3.96 1.90 -0.05 3.16 0.00 -1.19 -1.61 121.76 120.01 1rf2 s ALA 38 Ca 0.17 -1.16 0.03 0.00 0.00 0.00 0.00 51.96 51.00 1rf2 s ALA 38 Cb 0.01 -0.35 0.00 0.00 0.00 0.00 0.00 23.12 22.78 1rf2 s ALA 38 CO 0.02 0.42 -0.15 0.42 0.00 0.00 0.00 175.76 176.48 1rf2 s ILE 39 N -0.89 1.32 0.13 0.00 1.01 -0.00 -0.94 121.20 121.83 1rf2 s ILE 39 Ca 0.09 -0.63 0.11 0.00 0.00 0.00 0.00 60.65 60.22 1rf2 s ILE 39 Cb -0.09 -1.15 -0.04 0.00 0.01 0.00 0.00 42.46 41.18 1rf2 s ILE 39 CO 0.03 0.39 -0.26 0.27 0.00 0.00 0.00 174.94 175.36 1rf2 s ILE 40 N 0.27 2.30 0.17 2.92 -4.36 0.09 -0.73 121.20 121.86 1rf2 s ILE 40 Ca -0.08 -1.77 0.06 0.00 -0.26 0.00 0.00 60.65 58.60 1rf2 s ILE 40 Cb -0.13 -2.02 -0.04 0.00 1.25 0.00 0.00 42.46 41.51 1rf2 s ILE 40 CO 0.03 0.08 -0.12 0.42 0.24 0.00 0.00 174.94 175.58 1rf2 s THR 41 N -1.11 1.42 0.34 8.37 -4.23 -0.73 -1.23 115.64 118.47 1rf2 s THR 41 Ca 0.15 -2.11 0.09 0.00 -1.18 0.00 0.00 61.69 58.63 1rf2 s THR 41 Cb -0.10 -1.92 -0.05 0.00 1.34 0.00 0.00 72.50 71.77 1rf2 s THR 41 CO 0.06 -0.67 0.08 -0.36 -0.54 0.00 0.00 174.62 173.20 1rf2 s PHE 42 N -3.12 2.63 0.02 3.99 0.08 -0.51 -0.30 117.98 120.76 1rf2 s PHE 42 Ca 0.19 -0.41 0.32 0.00 0.12 0.00 0.00 56.93 57.15 1rf2 s PHE 42 Cb 0.01 -1.57 1.40 0.00 -0.57 0.00 0.00 43.02 42.30 1rf2 s PHE 42 CO 0.03 0.41 1.96 1.57 -0.10 0.00 0.00 175.22 179.09 1rf2 h LYS 43 N 1.68 0.00 0.00 0.44 2.10 -1.89 -0.44 116.57 118.45 1rf2 h LYS 43 Ca -0.43 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.22 1rf2 h LYS 43 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 1rf2 h LYS 43 CO 0.65 0.00 0.00 0.27 -2.00 0.00 0.00 179.45 178.37 1rf2 n ASN 44 N -2.85 0.00 0.00 7.07 0.23 -1.26 -4.89 115.26 113.57 1rf2 n ASN 44 Ca 0.00 -0.67 0.00 0.00 -0.53 0.00 0.00 54.58 53.39 1rf2 n ASN 44 Cb 0.24 -0.03 0.00 0.00 -2.08 0.00 0.00 39.78 37.92 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 0.49 2.02 3.74 4.83 0.00 -0.18 -5.05 105.19 111.05 1rf2 n GLY 45 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1rf2 n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rf2 s ALA 46 N -2.41 3.77 -0.02 4.61 0.00 -1.25 -4.75 121.76 121.70 1rf2 s ALA 46 Ca 0.00 1.56 0.04 0.00 0.00 0.00 0.00 51.96 53.57 1rf2 s ALA 46 Cb 0.00 -3.65 -0.01 0.00 0.00 0.00 0.00 23.12 19.46 1rf2 s ALA 46 CO 0.00 -0.96 -0.15 0.99 0.00 0.00 0.00 175.76 175.64 1rf2 s THR 47 N 0.20 1.23 0.03 0.00 2.01 -1.26 -1.43 115.64 116.42 1rf2 s THR 47 Ca 0.65 -0.64 -0.01 0.00 0.31 0.00 0.00 61.69 62.01 1rf2 s THR 47 Cb -0.48 -1.04 -0.03 0.00 0.01 0.00 0.00 72.50 70.97 1rf2 s THR 47 CO 0.45 0.35 -0.03 -0.36 -0.69 0.00 0.00 174.62 174.35 1rf2 s PHE 48 N -0.17 0.35 0.20 4.92 0.08 -0.37 -4.05 117.98 118.93 1rf2 s PHE 48 Ca 0.02 -0.71 0.11 0.00 0.12 0.00 0.00 56.93 56.47 1rf2 s PHE 48 Cb -0.08 -0.26 -0.04 0.00 -0.57 0.00 0.00 43.02 42.07 1rf2 s PHE 48 CO 0.00 -0.26 -0.23 1.14 -0.10 0.00 0.00 175.22 175.77 1rf2 s GLN 49 N -2.33 1.52 -0.33 0.44 -2.07 -0.46 -0.73 119.66 115.71 1rf2 s GLN 49 Ca -0.08 -1.55 -0.15 0.00 -1.82 0.00 0.00 55.36 51.76 1rf2 s GLN 49 Cb -0.04 -1.80 -0.02 0.00 -1.09 0.00 0.00 33.01 30.06 1rf2 s GLN 49 CO -0.04 0.38 0.35 0.08 -1.32 0.00 0.00 175.29 174.74 1rf2 s VAL 50 N -1.81 5.18 0.69 3.63 1.01 -0.12 -0.77 120.40 128.21 1rf2 s VAL 50 Ca 0.22 0.13 -0.16 0.00 0.00 0.00 0.00 61.98 62.17 1rf2 s VAL 50 Cb -0.07 -3.78 0.01 0.00 0.00 0.00 0.00 36.38 32.54 1rf2 s VAL 50 CO 0.10 -0.02 1.24 -1.61 0.00 0.00 0.00 175.10 174.80 1rf2 s GLU 51 N 2.00 2.36 0.26 2.72 2.02 -1.26 -3.16 118.70 123.64 1rf2 s GLU 51 Ca 0.12 1.87 -0.31 0.00 0.02 0.00 0.00 54.97 56.67 1rf2 s GLU 51 Cb -0.16 -1.85 -0.12 0.00 0.10 0.00 0.00 34.13 32.09 1rf2 s GLU 51 CO 0.11 -1.69 1.53 0.28 0.02 0.00 0.00 175.26 175.51 1rf2 n VAL 52 N -2.32 0.89 -1.74 2.63 0.31 -1.26 -4.87 118.33 111.97 1rf2 n VAL 52 Ca 0.14 -0.22 -0.42 0.00 -0.01 0.00 0.00 64.34 63.83 1rf2 n VAL 52 Cb 0.49 -1.75 -0.02 0.00 -0.91 0.00 0.00 33.84 31.65 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 2.27 2.68 -1.58 5.55 -0.02 -1.26 -4.95 135.00 137.68 1rf2 n PRO 53 Ca 0.11 0.95 -0.01 0.00 -2.02 0.00 0.00 63.50 62.53 1rf2 n PRO 53 Cb 0.34 -2.74 -0.00 0.00 -0.02 0.00 0.00 33.50 31.08 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 2.47 2.51 0.33 -1.23 0.00 -1.26 -5.03 105.19 102.98 1rf2 n GLY 54 Ca 0.10 -1.23 0.18 0.00 0.00 0.00 0.00 46.02 45.07 1rf2 n GLY 54 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1rf2 h SER 55 N 0.21 0.00 0.91 1.61 0.02 -2.02 -1.20 113.55 113.07 1rf2 h SER 55 Ca -0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1rf2 h SER 55 Cb 0.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.67 1rf2 h SER 55 CO 0.04 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.73 1rf2 n GLN 56 N -3.50 0.10 -3.85 3.45 0.00 -1.26 -4.76 117.38 107.56 1rf2 n GLN 56 Ca -0.01 0.21 -0.36 0.00 0.00 0.00 0.00 57.00 56.85 1rf2 n GLN 56 Cb 0.24 -1.65 -0.08 0.00 0.00 0.00 0.00 30.24 28.75 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 -3.09 3.43 0.68 2.61 3.76 -0.45 -5.10 115.29 117.13 1rf2 s HIS 57 Ca 0.09 0.34 -0.11 0.00 -0.15 0.00 0.00 55.06 55.23 1rf2 s HIS 57 Cb 0.13 -2.06 0.00 0.00 1.11 0.00 0.00 32.58 31.75 1rf2 s HIS 57 CO 0.44 0.41 1.08 0.96 -0.85 0.00 0.00 174.74 176.78 1rf2 s ILE 58 N -0.12 3.84 0.25 0.60 -4.36 -1.26 -4.88 121.20 115.27 1rf2 s ILE 58 Ca 0.10 0.60 -0.04 0.00 -0.26 0.00 0.00 60.65 61.04 1rf2 s ILE 58 Cb -0.12 -3.57 0.22 0.00 1.25 0.00 0.00 42.46 40.24 1rf2 s ILE 58 CO 0.00 -0.78 1.82 -0.78 0.24 0.00 0.00 174.94 175.44 1rf2 h ASP 59 N -0.58 0.73 0.44 4.36 3.58 -1.98 -0.22 116.42 122.75 1rf2 h ASP 59 Ca -0.45 0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.04 1rf2 h ASP 59 Cb 1.23 -0.10 -0.00 0.00 1.72 0.00 0.00 39.33 42.18 1rf2 h ASP 59 CO 0.63 0.42 -0.03 0.77 -2.88 0.00 0.00 179.24 178.15 1rf2 h SER 60 N 0.84 0.00 1.47 2.28 4.64 -2.05 -1.88 113.55 118.85 1rf2 h SER 60 Ca 0.41 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.71 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 -0.24 0.03 -0.06 1.56 -0.87 0.00 0.00 176.83 177.25 1rf2 h GLN 61 N 0.00 0.00 -0.17 4.77 4.20 -1.40 -3.38 115.11 119.14 1rf2 h GLN 61 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1rf2 h GLN 61 Cb 0.26 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 1rf2 h GLN 61 CO 0.00 0.06 0.11 0.87 -0.67 0.00 0.00 178.83 179.21 1rf2 h LYS 62 N 0.00 0.22 -0.38 1.46 1.79 -1.38 -0.15 116.57 118.13 1rf2 h LYS 62 Ca -0.00 -0.01 -0.08 0.00 -2.18 0.00 0.00 60.65 58.38 1rf2 h LYS 62 Cb 0.81 -0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 31.39 1rf2 h LYS 62 CO 0.01 0.14 -0.09 0.87 -1.08 0.00 0.00 179.45 179.30 1rf2 h LYS 63 N 0.22 0.65 -0.22 3.15 1.57 -1.76 -2.82 116.57 117.36 1rf2 h LYS 63 Ca 0.06 -0.19 -0.13 0.00 -1.87 0.00 0.00 60.65 58.52 1rf2 h LYS 63 Cb -0.03 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 1rf2 h LYS 63 CO -0.01 0.73 -0.40 0.00 -0.57 0.00 0.00 179.45 179.20 1rf2 h ALA 64 N 1.30 0.90 -0.39 3.86 0.00 -1.56 -1.17 119.26 122.21 1rf2 h ALA 64 Ca 0.11 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1rf2 h ALA 64 Cb 0.51 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1rf2 h ALA 64 CO 0.03 0.63 0.25 0.82 0.00 0.00 0.00 179.25 180.98 1rf2 h ILE 65 N 0.42 1.12 -0.84 0.00 2.04 -0.87 -0.32 117.51 119.05 1rf2 h ILE 65 Ca 0.04 -0.25 -0.03 0.00 1.00 0.00 0.00 64.86 65.62 1rf2 h ILE 65 Cb 0.88 0.57 -0.04 0.00 -0.74 0.00 0.00 36.82 37.50 1rf2 h ILE 65 CO 0.07 0.12 0.40 -0.33 0.00 0.00 0.00 178.15 178.41 1rf2 h GLU 66 N 0.52 1.22 -0.76 2.37 4.39 -1.24 -2.24 114.58 118.83 1rf2 h GLU 66 Ca 0.14 -0.18 -0.04 0.00 0.34 0.00 0.00 59.36 59.62 1rf2 h GLU 66 Cb -0.03 -0.22 -0.03 0.00 -0.10 0.00 0.00 28.75 28.37 1rf2 h GLU 66 CO -0.03 0.94 0.32 -0.09 -1.16 0.00 0.00 179.01 179.00 1rf2 h ARG 67 N 1.20 1.13 -0.75 2.33 2.43 -0.96 -2.14 114.38 117.63 1rf2 h ARG 67 Ca 0.29 -0.19 -0.04 0.00 -0.81 0.00 0.00 59.98 59.22 1rf2 h ARG 67 Cb 0.13 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.46 1rf2 h ARG 67 CO -0.04 0.91 0.30 1.98 -1.51 0.00 0.00 179.97 181.61 1rf2 h MET 68 N 1.10 1.12 -0.50 0.20 4.05 -0.64 0.30 114.93 120.56 1rf2 h MET 68 Ca 0.26 -0.21 -0.07 0.00 -0.28 0.00 0.00 59.70 59.40 1rf2 h MET 68 Cb 0.19 -0.18 -0.02 0.00 -0.80 0.00 0.00 31.60 30.78 1rf2 h MET 68 CO -0.02 0.92 0.03 0.87 0.23 0.00 0.00 176.91 178.94 1rf2 h LYS 69 N 1.08 0.82 -0.51 0.39 1.57 -1.20 -0.41 116.57 118.31 1rf2 h LYS 69 Ca 0.25 -0.21 0.02 0.00 -1.87 0.00 0.00 60.65 58.84 1rf2 h LYS 69 Cb 0.22 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.39 1rf2 h LYS 69 CO -0.02 0.80 0.31 -0.44 -0.57 0.00 0.00 179.45 179.54 1rf2 h ASP 70 N 0.77 0.51 -0.42 0.86 3.32 -0.69 -2.24 116.42 118.52 1rf2 h ASP 70 Ca 0.15 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.18 1rf2 h ASP 70 Cb 0.42 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 1rf2 h ASP 70 CO 0.01 0.36 0.16 0.74 -1.72 0.00 0.00 179.24 178.80 1rf2 h THR 71 N 0.63 1.20 -0.59 0.35 2.02 -0.50 -2.13 112.91 113.89 1rf2 h THR 71 Ca 0.20 -0.64 -0.07 0.00 0.77 0.00 0.00 66.41 66.67 1rf2 h THR 71 Cb 0.00 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 1rf2 h THR 71 CO -0.08 0.23 0.07 -0.07 0.37 0.00 0.00 175.52 176.04 1rf2 h LEU 72 N 0.54 0.93 -0.03 2.58 3.38 -1.00 -0.36 115.31 121.35 1rf2 h LEU 72 Ca 0.14 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1rf2 h LEU 72 Cb 0.21 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 1rf2 h LEU 72 CO -0.01 0.95 0.01 -0.09 0.09 0.00 0.00 178.44 179.39 1rf2 h ARG 73 N 0.91 0.04 -0.13 1.13 2.43 -1.23 0.12 114.38 117.65 1rf2 h ARG 73 Ca 0.18 -0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 59.22 1rf2 h ARG 73 Cb 0.43 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.96 1rf2 h ARG 73 CO 0.01 0.14 -0.48 0.97 -1.51 0.00 0.00 179.97 179.10 1rf2 h ILE 74 N -0.07 1.33 -0.40 1.20 6.09 -1.28 -0.78 117.51 123.60 1rf2 h ILE 74 Ca 0.01 -1.70 0.01 0.00 -1.37 0.00 0.00 64.86 61.81 1rf2 h ILE 74 Cb 0.11 1.76 -0.02 0.00 0.47 0.00 0.00 36.82 39.14 1rf2 h ILE 74 CO -0.00 0.51 0.25 0.00 -3.07 0.00 0.00 178.15 175.84 1rf2 h ALA 75 N 1.22 0.50 -0.08 0.18 0.00 -0.96 -0.49 119.26 119.63 1rf2 h ALA 75 Ca 0.01 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1rf2 h ALA 75 Cb 0.95 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1rf2 h ALA 75 CO 0.08 -0.07 0.02 -0.92 0.00 0.00 0.00 179.25 178.36 1rf2 h TYR 76 N 0.51 0.03 0.00 0.00 3.20 -0.62 -1.58 116.97 118.51 1rf2 h TYR 76 Ca 0.15 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.94 1rf2 h TYR 76 Cb -0.03 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.22 1rf2 h TYR 76 CO -0.06 0.01 -0.39 -0.07 -1.64 0.00 0.00 178.16 176.02 1rf2 h LEU 77 N 0.05 0.00 -1.24 2.82 3.38 -0.82 -2.38 115.31 117.12 1rf2 h LEU 77 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1rf2 h LEU 77 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1rf2 h LEU 77 CO -0.04 0.39 0.00 0.35 0.09 0.00 0.00 178.44 179.22 1rf2 n THR 78 N -3.95 0.04 -3.19 0.22 -2.24 -0.22 -4.95 114.28 100.00 1rf2 n THR 78 Ca -0.02 -0.33 -0.23 0.00 -2.27 0.00 0.00 64.05 61.20 1rf2 n THR 78 Cb 0.43 0.72 0.02 0.00 -2.10 0.00 0.00 70.33 69.41 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 0.50 -4.44 -2.27 -0.78 1.02 -0.68 -4.94 120.64 109.06 1rf2 n GLU 79 Ca 0.18 0.73 -0.41 0.00 -0.02 0.00 0.00 57.16 57.64 1rf2 n GLU 79 Cb 0.42 -5.55 -0.03 0.00 -0.02 0.00 0.00 31.44 26.26 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 3.48 -0.02 0.62 0.00 -0.72 -4.76 121.76 117.27 1rf2 s ALA 80 Ca 0.36 1.08 -0.30 0.00 0.00 0.00 0.00 51.96 53.10 1rf2 s ALA 80 Cb -0.17 -3.44 -0.05 0.00 0.00 0.00 0.00 23.12 19.47 1rf2 s ALA 80 CO 0.44 -0.46 1.31 0.21 0.00 0.00 0.00 175.76 177.27 1rf2 s LYS 81 N -0.87 4.31 -0.16 0.00 2.20 -1.26 -4.29 119.74 119.67 1rf2 s LYS 81 Ca 0.51 1.84 -0.23 0.00 -0.36 0.00 0.00 55.97 57.73 1rf2 s LYS 81 Cb -0.36 -3.56 -0.02 0.00 -1.51 0.00 0.00 37.83 32.37 1rf2 s LYS 81 CO 0.42 -0.52 0.73 0.08 -0.36 0.00 0.00 175.35 175.70 1rf2 s VAL 82 N 2.31 4.97 -0.01 4.02 1.01 -0.05 -3.55 120.40 129.10 1rf2 s VAL 82 Ca 0.60 1.42 -0.00 0.00 0.00 0.00 0.00 61.98 64.00 1rf2 s VAL 82 Cb -0.28 -4.04 -0.00 0.00 0.00 0.00 0.00 36.38 32.05 1rf2 s VAL 82 CO 0.24 0.10 0.11 -0.08 0.00 0.00 0.00 175.10 175.47 1rf2 h GLU 83 N 7.29 -0.01 -4.63 2.72 4.81 -1.19 0.77 114.58 124.34 1rf2 h GLU 83 Ca -0.32 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 58.64 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 -0.01 -0.73 0.15 -0.73 0.00 0.00 179.01 178.49 1rf2 s LYS 84 N -1.27 0.63 -0.09 1.92 1.02 -1.15 -0.41 119.74 120.39 1rf2 s LYS 84 Ca -0.00 -0.94 0.04 0.00 0.02 0.00 0.00 55.97 55.09 1rf2 s LYS 84 Cb 0.00 -0.29 -0.01 0.00 -0.52 0.00 0.00 37.83 37.00 1rf2 s LYS 84 CO 0.01 0.04 -0.20 -0.51 -0.92 0.00 0.00 175.35 173.76 1rf2 s LEU 85 N -2.01 2.34 -0.18 3.17 1.43 -0.32 -1.13 118.68 121.96 1rf2 s LEU 85 Ca -0.03 -0.43 -0.20 0.00 -1.03 0.00 0.00 54.13 52.44 1rf2 s LEU 85 Cb -0.06 -1.47 -0.03 0.00 0.03 0.00 0.00 46.19 44.67 1rf2 s LEU 85 CO -0.01 0.22 0.58 0.00 0.23 0.00 0.00 176.35 177.37 1rf2 s VAL 87 N 1.63 1.16 -0.04 0.00 -7.23 -0.32 -0.35 120.40 115.25 1rf2 s VAL 87 Ca 0.27 -1.52 -0.27 0.00 -1.81 0.00 0.00 61.98 58.65 1rf2 s VAL 87 Cb -0.16 -1.30 -0.03 0.00 0.56 0.00 0.00 36.38 35.46 1rf2 s VAL 87 CO 0.10 -0.36 0.86 0.26 -0.31 0.00 0.00 175.10 175.65 1rf2 s TRP 88 N -1.81 3.60 -2.11 2.82 0.51 0.65 -1.07 118.94 121.52 1rf2 s TRP 88 Ca 0.03 1.48 0.23 0.00 -2.12 0.00 0.00 56.10 55.73 1rf2 s TRP 88 Cb -0.07 -2.99 0.61 0.00 -0.81 0.00 0.00 33.47 30.21 1rf2 s TRP 88 CO 0.02 0.00 1.52 0.27 -0.51 0.00 0.00 176.95 178.25 1rf2 n ASN 89 N 4.00 3.88 -2.00 2.95 0.23 0.40 -1.99 115.26 122.73 1rf2 n ASN 89 Ca 0.03 -2.00 -0.06 0.00 -0.53 0.00 0.00 54.58 52.02 1rf2 n ASN 89 Cb 0.51 -0.44 0.31 0.00 -2.08 0.00 0.00 39.78 38.07 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 1.65 4.86 -4.09 0.53 6.94 -1.26 -4.90 115.26 118.98 1rf2 n ASN 90 Ca 0.24 -3.23 -0.10 0.00 -0.02 0.00 0.00 54.58 51.47 1rf2 n ASN 90 Cb 0.63 -0.75 -0.11 0.00 -2.36 0.00 0.00 39.78 37.19 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 -3.00 0.61 -0.09 -3.83 -0.14 -1.26 -5.09 119.74 106.93 1rf2 s LYS 91 Ca 0.55 -1.03 -0.00 0.00 -1.36 0.00 0.00 55.97 54.13 1rf2 s LYS 91 Cb 0.44 -0.08 0.02 0.00 -1.68 0.00 0.00 37.83 36.54 1rf2 s LYS 91 CO 0.14 -0.03 -0.06 0.99 -0.76 0.00 0.00 175.35 175.63 1rf2 s THR 92 N -2.72 0.83 0.97 2.17 2.01 -1.26 -2.91 115.64 114.74 1rf2 s THR 92 Ca 0.00 -0.18 -0.11 0.00 0.31 0.00 0.00 61.69 61.71 1rf2 s THR 92 Cb -0.01 -0.88 0.18 0.00 0.01 0.00 0.00 72.50 71.80 1rf2 s THR 92 CO -0.04 0.33 1.11 -2.84 -0.69 0.00 0.00 174.62 172.49 1rf2 s PRO 93 N 1.66 0.58 0.50 4.92 0.02 -1.26 -5.05 135.00 136.36 1rf2 s PRO 93 Ca 0.03 1.31 -0.23 0.00 0.02 0.00 0.00 61.00 62.13 1rf2 s PRO 93 Cb -0.13 -1.69 -0.07 0.00 0.02 0.00 0.00 34.50 32.63 1rf2 s PRO 93 CO -0.06 -2.85 1.26 0.72 -0.33 0.00 0.00 177.00 175.74 1rf2 n HIS 94 N -4.37 2.02 -3.70 6.54 8.25 -1.15 -4.51 115.22 118.31 1rf2 n HIS 94 Ca 0.09 0.46 -0.36 0.00 -0.26 0.00 0.00 57.72 57.66 1rf2 n HIS 94 Cb 0.53 -2.34 -0.09 0.00 1.12 0.00 0.00 29.99 29.21 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 -1.28 3.64 0.06 -1.41 0.00 -0.84 -1.35 121.76 120.58 1rf2 s ALA 95 Ca 0.67 -0.80 -0.31 0.00 0.00 0.00 0.00 51.96 51.53 1rf2 s ALA 95 Cb -0.46 -2.25 -0.06 0.00 0.00 0.00 0.00 23.12 20.35 1rf2 s ALA 95 CO 0.53 -0.03 1.34 0.42 0.00 0.00 0.00 175.76 178.02 1rf2 s ILE 96 N 0.73 3.64 -0.17 0.00 1.01 0.05 -0.25 121.20 126.20 1rf2 s ILE 96 Ca 0.08 1.13 0.09 0.00 0.00 0.00 0.00 60.65 61.95 1rf2 s ILE 96 Cb -0.12 -3.73 -0.17 0.00 0.01 0.00 0.00 42.46 38.45 1rf2 s ILE 96 CO 0.01 0.06 -0.04 0.00 0.00 0.00 0.00 174.94 174.98 1rf2 n ALA 97 N 4.42 1.59 -3.35 9.38 0.00 0.52 -4.83 120.51 128.25 1rf2 n ALA 97 Ca 0.11 -0.97 -0.13 0.00 0.00 0.00 0.00 53.44 52.45 1rf2 n ALA 97 Cb 0.44 -0.04 -0.04 0.00 0.00 0.00 0.00 19.45 19.81 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 -2.39 -1.46 0.01 0.00 0.00 -0.89 -4.98 121.76 112.05 1rf2 s ALA 98 Ca -0.15 0.56 0.02 0.00 0.00 0.00 0.00 51.96 52.39 1rf2 s ALA 98 Cb 0.06 0.61 -0.01 0.00 0.00 0.00 0.00 23.12 23.78 1rf2 s ALA 98 CO 0.58 -0.63 -0.07 -1.50 0.00 0.00 0.00 175.76 174.13 1rf2 s ILE 99 N -3.07 0.55 0.01 0.00 2.07 -1.26 -1.21 121.20 118.28 1rf2 s ILE 99 Ca -0.02 -0.55 0.07 0.00 -1.41 0.00 0.00 60.65 58.74 1rf2 s ILE 99 Cb -0.00 -0.51 -0.02 0.00 0.13 0.00 0.00 42.46 42.05 1rf2 s ILE 99 CO -0.07 -0.02 -0.21 -0.94 -1.91 0.00 0.00 174.94 171.80 1rf2 s SER 100 N -0.63 2.44 -0.06 4.50 1.04 -0.28 -5.01 113.70 115.70 1rf2 s SER 100 Ca -0.01 -0.43 0.04 0.00 0.48 0.00 0.00 55.95 56.03 1rf2 s SER 100 Cb -0.05 -0.24 -0.00 0.00 0.10 0.00 0.00 66.02 65.83 1rf2 s SER 100 CO 0.00 0.22 -0.19 -0.04 0.98 0.00 0.00 173.24 174.21 1rf2 s MET 101 N -0.76 2.19 0.02 4.02 -1.94 -1.26 -0.75 119.30 120.82 1rf2 s MET 101 Ca 0.08 -0.68 -0.21 0.00 -1.71 0.00 0.00 55.69 53.17 1rf2 s MET 101 Cb -0.08 -1.80 0.05 0.00 2.01 0.00 0.00 34.83 35.01 1rf2 s MET 101 CO 0.00 0.20 0.48 0.00 -0.01 0.00 0.00 175.02 175.70 1rf2 s ALA 102 N 0.21 -1.22 0.00 3.03 0.00 -1.23 -4.89 121.76 117.67 1rf2 s ALA 102 Ca -0.10 0.59 0.00 0.00 0.00 0.00 0.00 51.96 52.45 1rf2 s ALA 102 Cb -0.14 0.26 0.00 0.00 0.00 0.00 0.00 23.12 23.23 1rf2 s ALA 102 CO 0.04 -0.43 0.00 0.09 0.00 0.00 0.00 175.76 175.47