#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rd9 n PRO 2 N 0.00 1.07 0.00 -2.82 -0.04 -1.26 -4.93 135.00 127.02 1rd9 n PRO 2 Ca 0.00 0.42 0.10 0.00 -0.04 0.00 0.00 63.50 63.98 1rd9 n PRO 2 Cb 0.00 -2.39 -0.04 0.00 -0.04 0.00 0.00 33.50 31.03 1rd9 n PRO 2 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1rd9 n GLN 3 N -1.48 1.01 -3.79 0.54 6.02 -1.26 -4.96 117.38 113.45 1rd9 n GLN 3 Ca 0.15 -0.70 -0.08 0.00 -0.01 0.00 0.00 57.00 56.36 1rd9 n GLN 3 Cb 0.47 -1.45 -0.02 0.00 1.02 0.00 0.00 30.24 30.26 1rd9 n GLN 3 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1rd9 s ASN 4 N -2.54 -0.30 0.35 1.08 2.20 -1.26 -5.06 114.94 109.42 1rd9 s ASN 4 Ca 0.15 -0.53 0.04 0.00 -0.94 0.00 0.00 52.86 51.58 1rd9 s ASN 4 Cb 0.17 0.69 0.64 0.00 -2.00 0.00 0.00 41.25 40.75 1rd9 s ASN 4 CO 0.63 -1.26 1.94 -0.29 -2.94 0.00 0.00 177.10 175.17 1rd9 h ILE 5 N 2.03 1.17 -0.41 0.54 2.10 -1.95 -2.04 117.51 118.95 1rd9 h ILE 5 Ca -0.22 -0.55 -0.10 0.00 1.08 0.00 0.00 64.86 65.07 1rd9 h ILE 5 Cb 1.26 0.65 -0.01 0.00 -1.09 0.00 0.00 36.82 37.63 1rd9 h ILE 5 CO 0.27 0.21 -0.14 0.74 -1.08 0.00 0.00 178.15 178.15 1rd9 h THR 6 N 0.63 1.28 -0.26 2.19 2.02 -1.99 0.60 112.91 117.38 1rd9 h THR 6 Ca 0.15 -1.25 -0.14 0.00 0.77 0.00 0.00 66.41 65.94 1rd9 h THR 6 Cb 0.14 1.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 1rd9 h THR 6 CO -0.01 0.42 -0.42 0.44 0.37 0.00 0.00 175.52 176.31 1rd9 h ASP 7 N 0.63 0.69 -0.20 4.18 3.32 -1.94 -2.26 116.42 120.84 1rd9 h ASP 7 Ca 0.10 -0.32 -0.02 0.00 0.02 0.00 0.00 57.03 56.81 1rd9 h ASP 7 Cb 0.68 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 1rd9 h ASP 7 CO 0.05 1.03 0.06 0.25 -1.72 0.00 0.00 179.24 178.90 1rd9 h LEU 8 N 0.53 0.30 -1.49 1.55 6.46 -1.24 -3.00 115.31 118.42 1rd9 h LEU 8 Ca 0.04 -0.21 0.02 0.00 -0.12 0.00 0.00 57.88 57.60 1rd9 h LEU 8 Cb 0.95 -0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 40.78 1rd9 h LEU 8 CO 0.09 0.43 0.36 0.00 -0.62 0.00 0.00 178.44 178.70 1rd9 n ALA 10 N -2.46 1.55 0.86 0.00 0.00 -0.87 -2.23 120.51 117.37 1rd9 n ALA 10 Ca 0.06 0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.70 1rd9 n ALA 10 Cb 0.08 -1.35 0.54 0.00 0.00 0.00 0.00 19.45 18.72 1rd9 n ALA 10 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1rd9 n GLU 11 N -2.13 0.02 -4.27 0.00 1.02 -0.64 -4.87 120.64 109.77 1rd9 n GLU 11 Ca 0.02 0.08 -0.29 0.00 -0.02 0.00 0.00 57.16 56.94 1rd9 n GLU 11 Cb 0.19 -1.53 -0.10 0.00 -0.02 0.00 0.00 31.44 29.97 1rd9 n GLU 11 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1rd9 s TYR 12 N -3.01 2.63 0.49 -0.32 1.51 -0.95 -5.12 117.35 112.57 1rd9 s TYR 12 Ca 0.12 -0.22 -0.19 0.00 -1.01 0.00 0.00 57.07 55.77 1rd9 s TYR 12 Cb 0.16 -1.36 -0.09 0.00 -0.11 0.00 0.00 41.96 40.57 1rd9 s TYR 12 CO 0.48 0.43 0.99 -1.01 -1.11 0.00 0.00 175.55 175.33 1rd9 s HIS 13 N -1.30 3.24 -1.48 2.71 3.76 -1.26 -4.19 115.29 116.77 1rd9 s HIS 13 Ca 0.21 1.55 -0.07 0.00 -0.15 0.00 0.00 55.06 56.60 1rd9 s HIS 13 Cb -0.10 -2.90 0.02 0.00 1.11 0.00 0.00 32.58 30.71 1rd9 s HIS 13 CO 0.13 -0.46 0.72 0.09 -0.85 0.00 0.00 174.74 174.36 1rd9 n ASN 14 N -1.14 -5.68 -4.47 1.40 5.03 -1.26 -4.96 115.26 104.19 1rd9 n ASN 14 Ca 0.08 -0.39 -0.24 0.00 0.87 0.00 0.00 54.58 54.90 1rd9 n ASN 14 Cb 0.54 -4.57 -0.10 0.00 -1.02 0.00 0.00 39.78 34.62 1rd9 n ASN 14 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 1rd9 s THR 15 N -3.17 2.41 0.10 3.41 -4.23 -1.26 -0.93 115.64 111.97 1rd9 s THR 15 Ca 0.40 -2.37 -0.14 0.00 -1.18 0.00 0.00 61.69 58.40 1rd9 s THR 15 Cb -0.18 -2.33 0.02 0.00 1.34 0.00 0.00 72.50 71.35 1rd9 s THR 15 CO 0.49 -0.39 0.33 0.00 -0.54 0.00 0.00 174.62 174.52 1rd9 s GLN 16 N -3.53 0.98 -0.04 3.99 -2.07 -0.40 -4.90 119.66 113.69 1rd9 s GLN 16 Ca 0.30 -0.75 -0.18 0.00 -1.82 0.00 0.00 55.36 52.91 1rd9 s GLN 16 Cb -0.04 0.42 -0.05 0.00 -1.09 0.00 0.00 33.01 32.25 1rd9 s GLN 16 CO 0.15 -0.36 0.51 0.42 -1.32 0.00 0.00 175.29 174.69 1rd9 s ILE 17 N -3.67 5.03 -0.13 3.63 -1.09 -1.26 -1.28 121.20 122.42 1rd9 s ILE 17 Ca 0.03 1.05 -0.01 0.00 -2.23 0.00 0.00 60.65 59.48 1rd9 s ILE 17 Cb 0.02 -3.84 -0.02 0.00 -1.58 0.00 0.00 42.46 37.04 1rd9 s ILE 17 CO -0.11 0.43 -0.09 -1.00 -1.23 0.00 0.00 174.94 172.94 1rd9 s HIS 18 N -0.13 2.90 -0.29 3.97 3.76 -0.16 -4.99 115.29 120.34 1rd9 s HIS 18 Ca 0.27 -0.46 -0.11 0.00 -0.15 0.00 0.00 55.06 54.61 1rd9 s HIS 18 Cb -0.17 -1.87 -0.04 0.00 1.11 0.00 0.00 32.58 31.61 1rd9 s HIS 18 CO 0.14 -0.10 0.19 0.99 -0.85 0.00 0.00 174.74 175.11 1rd9 s THR 19 N 0.26 5.19 -0.26 1.30 2.01 -1.26 -1.04 115.64 121.84 1rd9 s THR 19 Ca -0.07 0.02 -0.13 0.00 0.31 0.00 0.00 61.69 61.82 1rd9 s THR 19 Cb -0.15 -3.52 -0.11 0.00 0.01 0.00 0.00 72.50 68.73 1rd9 s THR 19 CO 0.04 0.18 -0.33 0.18 -0.69 0.00 0.00 174.62 174.00 1rd9 n LEU 20 N 5.06 1.83 -4.12 4.42 7.99 0.26 -5.00 117.00 127.43 1rd9 n LEU 20 Ca -0.14 0.32 -0.28 0.00 -0.01 0.00 0.00 56.01 55.90 1rd9 n LEU 20 Cb 0.51 -0.76 -0.05 0.00 -0.11 0.00 0.00 43.42 43.01 1rd9 n LEU 20 CO 0.34 0.51 -0.33 0.59 -1.51 0.00 0.00 177.39 177.00 1rd9 n ASN 21 N -4.17 0.09 -3.56 -1.43 3.02 0.25 -4.96 115.26 104.49 1rd9 n ASN 21 Ca -0.50 -1.12 -0.13 0.00 -0.03 0.00 0.00 54.58 52.80 1rd9 n ASN 21 Cb 0.85 -2.44 -0.05 0.00 -0.61 0.00 0.00 39.78 37.54 1rd9 n ASN 21 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1rd9 s ASP 22 N -4.33 -0.44 0.76 6.41 2.15 -0.77 -4.91 116.67 115.55 1rd9 s ASP 22 Ca 0.04 0.12 -0.11 0.00 0.43 0.00 0.00 52.55 53.03 1rd9 s ASP 22 Cb -0.02 0.50 0.05 0.00 -0.30 0.00 0.00 42.92 43.15 1rd9 s ASP 22 CO 0.94 -0.76 1.08 -1.59 -0.17 0.00 0.00 175.17 174.67 1rd9 s LYS 23 N -2.70 2.34 0.16 4.34 -2.85 -1.26 -0.96 119.74 118.81 1rd9 s LYS 23 Ca -0.04 1.00 -0.30 0.00 -1.00 0.00 0.00 55.97 55.63 1rd9 s LYS 23 Cb -0.00 -1.92 -0.08 0.00 -2.06 0.00 0.00 37.83 33.77 1rd9 s LYS 23 CO -0.04 -1.53 1.26 0.42 0.10 0.00 0.00 175.35 175.56 1rd9 s ILE 24 N -2.98 3.49 -0.02 3.79 1.01 -1.26 -4.71 121.20 120.52 1rd9 s ILE 24 Ca 0.60 1.19 -0.20 0.00 0.00 0.00 0.00 60.65 62.25 1rd9 s ILE 24 Cb -0.16 -3.76 -0.33 0.00 0.01 0.00 0.00 42.46 38.22 1rd9 s ILE 24 CO 0.56 0.16 0.93 0.15 0.00 0.00 0.00 174.94 176.73 1rd9 h PHE 25 N 5.71 0.71 -3.31 3.97 3.57 -0.87 -3.48 116.94 123.24 1rd9 h PHE 25 Ca -0.44 -0.52 -0.14 0.00 3.53 0.00 0.00 57.97 60.41 1rd9 h PHE 25 Cb 1.21 -0.03 -0.21 0.00 2.79 0.00 0.00 35.95 39.71 1rd9 h PHE 25 CO 0.63 1.41 -0.41 -1.54 -2.23 0.00 0.00 178.31 176.17 1rd9 s SER 26 N -7.20 -0.08 -0.09 0.41 1.04 -1.05 -4.98 113.70 101.74 1rd9 s SER 26 Ca -0.12 -0.03 0.01 0.00 0.48 0.00 0.00 55.95 56.30 1rd9 s SER 26 Cb 0.02 0.27 0.02 0.00 0.10 0.00 0.00 66.02 66.43 1rd9 s SER 26 CO 0.87 -0.36 -0.13 -0.47 0.98 0.00 0.00 173.24 174.14 1rd9 s TYR 27 N -1.18 1.70 -0.02 5.02 5.04 -1.26 -1.94 117.35 124.70 1rd9 s TYR 27 Ca -0.13 -0.76 0.04 0.00 -2.44 0.00 0.00 57.07 53.79 1rd9 s TYR 27 Cb -0.06 -1.26 -0.01 0.00 0.35 0.00 0.00 41.96 40.98 1rd9 s TYR 27 CO 0.02 -0.42 -0.15 0.99 -1.34 0.00 0.00 175.55 174.66 1rd9 s THR 28 N 1.03 1.19 0.03 4.34 2.01 0.10 -5.01 115.64 119.32 1rd9 s THR 28 Ca -0.07 -0.62 -0.01 0.00 0.31 0.00 0.00 61.69 61.30 1rd9 s THR 28 Cb -0.15 -1.01 -0.02 0.00 0.01 0.00 0.00 72.50 71.33 1rd9 s THR 28 CO -0.01 0.34 -0.02 -1.83 -0.69 0.00 0.00 174.62 172.41 1rd9 s GLU 29 N -0.18 0.38 0.00 4.92 -1.05 -1.26 -0.63 118.70 120.88 1rd9 s GLU 29 Ca 0.02 -0.71 0.02 0.00 -0.15 0.00 0.00 54.97 54.15 1rd9 s GLU 29 Cb -0.08 0.13 -0.01 0.00 -0.44 0.00 0.00 34.13 33.74 1rd9 s GLU 29 CO 0.00 -0.07 -0.07 0.45 0.95 0.00 0.00 175.26 176.53 1rd9 s SER 30 N -1.73 0.83 0.00 0.83 0.15 -0.77 -5.01 113.70 108.00 1rd9 s SER 30 Ca -0.12 -0.19 0.10 0.00 0.70 0.00 0.00 55.95 56.45 1rd9 s SER 30 Cb -0.07 -0.07 0.26 0.00 -1.71 0.00 0.00 66.02 64.43 1rd9 s SER 30 CO -0.03 0.05 1.18 0.00 1.20 0.00 0.00 173.24 175.64 1rd9 n LEU 31 N 2.69 2.72 -4.77 3.45 -0.00 -1.26 -3.11 117.00 116.73 1rd9 n LEU 31 Ca -0.14 -1.83 -0.40 0.00 -0.00 0.00 0.00 56.01 53.64 1rd9 n LEU 31 Cb 0.57 -0.19 -0.00 0.00 -0.00 0.00 0.00 43.42 43.80 1rd9 n LEU 31 CO 0.25 0.66 0.97 0.00 -0.00 0.00 0.00 177.39 179.27 1rd9 s ALA 32 N -0.98 3.28 0.17 1.47 0.00 -1.26 -4.83 121.76 119.61 1rd9 s ALA 32 Ca 0.21 1.26 -0.32 0.00 0.00 0.00 0.00 51.96 53.11 1rd9 s ALA 32 Cb 0.11 -3.50 -0.11 0.00 0.00 0.00 0.00 23.12 19.63 1rd9 s ALA 32 CO 0.15 -0.84 1.65 0.20 0.00 0.00 0.00 175.76 176.92 1rd9 s GLY 33 N -0.69 1.41 0.00 0.00 0.00 -1.26 -0.89 107.32 105.89 1rd9 s GLY 33 Ca 0.56 1.45 0.00 0.00 0.00 0.00 0.00 44.72 46.74 1rd9 s GLY 33 CO 0.50 2.78 0.00 0.28 0.00 0.00 0.00 173.10 176.66 1rd9 n LYS 34 N 4.20 -0.20 -2.57 2.90 4.76 -1.26 -4.82 118.16 121.16 1rd9 n LYS 34 Ca 0.15 0.05 -0.08 0.00 -2.87 0.00 0.00 58.31 55.56 1rd9 n LYS 34 Cb 0.37 -3.23 0.04 0.00 -1.84 0.00 0.00 35.03 30.38 1rd9 n LYS 34 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1rd9 n ARG 35 N -1.97 2.34 -2.58 1.97 5.12 -0.06 -4.96 116.66 116.52 1rd9 n ARG 35 Ca 0.00 -3.73 -0.41 0.00 -1.93 0.00 0.00 57.85 51.78 1rd9 n ARG 35 Cb 0.05 -1.83 -0.03 0.00 -1.16 0.00 0.00 32.46 29.50 1rd9 n ARG 35 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 1rd9 s GLU 36 N -3.73 3.62 0.25 5.56 8.01 -1.15 -4.31 118.70 126.94 1rd9 s GLU 36 Ca 0.35 -1.21 -0.12 0.00 0.01 0.00 0.00 54.97 53.99 1rd9 s GLU 36 Cb 0.35 -5.35 -0.01 0.00 -4.31 0.00 0.00 34.13 24.82 1rd9 s GLU 36 CO -0.01 -2.19 0.46 0.00 0.01 0.00 0.00 175.26 173.53 1rd9 s MET 37 N 4.81 1.54 0.09 1.61 0.23 -1.18 -4.15 119.30 122.24 1rd9 s MET 37 Ca 0.46 -1.27 0.07 0.00 -1.03 0.00 0.00 55.69 53.92 1rd9 s MET 37 Cb 0.00 0.46 -0.03 0.00 -1.53 0.00 0.00 34.83 33.73 1rd9 s MET 37 CO -0.09 -0.63 -0.19 0.00 -2.03 0.00 0.00 175.02 172.08 1rd9 s ALA 38 N -4.01 1.60 -0.05 3.16 0.00 -1.18 -1.84 121.76 119.44 1rd9 s ALA 38 Ca 0.23 -1.15 0.02 0.00 0.00 0.00 0.00 51.96 51.07 1rd9 s ALA 38 Cb -0.00 -0.21 0.01 0.00 0.00 0.00 0.00 23.12 22.92 1rd9 s ALA 38 CO 0.09 0.31 -0.10 0.42 0.00 0.00 0.00 175.76 176.48 1rd9 s ILE 39 N -1.15 0.95 0.18 0.00 1.01 0.20 -0.88 121.20 121.50 1rd9 s ILE 39 Ca 0.04 -0.40 0.10 0.00 0.00 0.00 0.00 60.65 60.39 1rd9 s ILE 39 Cb -0.10 -0.87 -0.04 0.00 0.01 0.00 0.00 42.46 41.46 1rd9 s ILE 39 CO 0.03 0.30 -0.22 0.27 0.00 0.00 0.00 174.94 175.33 1rd9 s ILE 40 N 0.50 2.14 0.15 2.92 -4.36 0.22 -0.73 121.20 122.04 1rd9 s ILE 40 Ca -0.10 -1.96 0.03 0.00 -0.26 0.00 0.00 60.65 58.36 1rd9 s ILE 40 Cb -0.13 -2.00 -0.05 0.00 1.25 0.00 0.00 42.46 41.54 1rd9 s ILE 40 CO 0.02 -0.17 -0.04 0.42 0.24 0.00 0.00 174.94 175.40 1rd9 s THR 41 N -1.75 0.83 0.28 8.37 -4.23 -0.82 -0.87 115.64 117.45 1rd9 s THR 41 Ca 0.18 -1.99 0.12 0.00 -1.18 0.00 0.00 61.69 58.81 1rd9 s THR 41 Cb -0.07 -1.96 -0.05 0.00 1.34 0.00 0.00 72.50 71.76 1rd9 s THR 41 CO 0.08 -0.64 -0.17 -0.36 -0.54 0.00 0.00 174.62 173.00 1rd9 s PHE 42 N -3.55 2.35 0.54 3.99 0.40 -0.48 -0.16 117.98 121.07 1rd9 s PHE 42 Ca 0.19 -0.32 0.42 0.00 -0.60 0.00 0.00 56.93 56.61 1rd9 s PHE 42 Cb 0.05 -1.04 2.17 0.00 0.51 0.00 0.00 43.02 44.71 1rd9 s PHE 42 CO 0.01 0.70 2.28 -0.22 0.70 0.00 0.00 175.22 178.69 1rd9 h LYS 43 N 2.21 0.00 0.00 0.44 1.63 -1.89 -0.05 116.57 118.90 1rd9 h LYS 43 Ca -0.41 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.39 1rd9 h LYS 43 Cb 1.26 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.89 1rd9 h LYS 43 CO 0.61 0.00 0.00 0.27 -3.45 0.00 0.00 179.45 176.88 1rd9 n ASN 44 N -3.12 0.00 0.00 4.20 0.23 -1.26 -4.89 115.26 110.42 1rd9 n ASN 44 Ca -0.02 -0.28 0.00 0.00 -0.53 0.00 0.00 54.58 53.74 1rd9 n ASN 44 Cb 0.13 -0.21 0.00 0.00 -2.08 0.00 0.00 39.78 37.61 1rd9 n ASN 44 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1rd9 n GLY 45 N 0.91 0.31 3.74 4.83 0.00 -0.03 -5.05 105.19 109.89 1rd9 n GLY 45 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1rd9 n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rd9 s ALA 46 N -2.00 3.64 -0.04 4.61 0.00 -1.25 -4.81 121.76 121.91 1rd9 s ALA 46 Ca 0.00 1.30 0.06 0.00 0.00 0.00 0.00 51.96 53.31 1rd9 s ALA 46 Cb 0.00 -3.56 -0.01 0.00 0.00 0.00 0.00 23.12 19.55 1rd9 s ALA 46 CO 0.00 -0.72 -0.21 0.99 0.00 0.00 0.00 175.76 175.82 1rd9 s THR 47 N 0.31 1.75 0.04 0.00 2.01 -1.26 -1.38 115.64 117.11 1rd9 s THR 47 Ca 0.61 -0.91 0.01 0.00 0.31 0.00 0.00 61.69 61.72 1rd9 s THR 47 Cb -0.41 -1.48 -0.03 0.00 0.01 0.00 0.00 72.50 70.59 1rd9 s THR 47 CO 0.39 0.49 -0.05 -0.36 -0.69 0.00 0.00 174.62 174.40 1rd9 s PHE 48 N -0.16 0.51 0.20 4.92 0.08 -0.05 -4.11 117.98 119.37 1rd9 s PHE 48 Ca -0.01 -0.59 0.11 0.00 0.12 0.00 0.00 56.93 56.55 1rd9 s PHE 48 Cb -0.12 -0.33 -0.04 0.00 -0.57 0.00 0.00 43.02 41.96 1rd9 s PHE 48 CO 0.02 -0.16 -0.21 1.14 -0.10 0.00 0.00 175.22 175.91 1rd9 s GLN 49 N -1.92 1.61 -0.31 0.44 -2.07 -0.67 -0.61 119.66 116.14 1rd9 s GLN 49 Ca -0.09 -1.51 -0.12 0.00 -1.82 0.00 0.00 55.36 51.82 1rd9 s GLN 49 Cb -0.07 -1.89 -0.03 0.00 -1.09 0.00 0.00 33.01 29.93 1rd9 s GLN 49 CO -0.01 0.40 0.22 0.08 -1.32 0.00 0.00 175.29 174.65 1rd9 s VAL 50 N -1.75 5.29 0.61 3.63 1.01 -0.06 -0.69 120.40 128.44 1rd9 s VAL 50 Ca 0.22 -0.01 -0.19 0.00 0.00 0.00 0.00 61.98 62.00 1rd9 s VAL 50 Cb -0.08 -3.63 -0.02 0.00 0.00 0.00 0.00 36.38 32.65 1rd9 s VAL 50 CO 0.11 0.12 1.30 -1.61 0.00 0.00 0.00 175.10 175.02 1rd9 s GLU 51 N 1.75 2.76 0.21 2.72 2.02 -1.26 -3.11 118.70 123.79 1rd9 s GLU 51 Ca 0.07 2.09 -0.32 0.00 0.02 0.00 0.00 54.97 56.83 1rd9 s GLU 51 Cb -0.17 -1.97 -0.14 0.00 0.10 0.00 0.00 34.13 31.95 1rd9 s GLU 51 CO 0.11 -1.44 1.44 0.28 0.02 0.00 0.00 175.26 175.67 1rd9 n VAL 52 N -1.62 0.63 -1.72 2.63 0.31 -1.26 -4.87 118.33 112.43 1rd9 n VAL 52 Ca 0.14 -0.16 -0.43 0.00 -0.01 0.00 0.00 64.34 63.89 1rd9 n VAL 52 Cb 0.47 -1.44 -0.02 0.00 -0.91 0.00 0.00 33.84 31.94 1rd9 n VAL 52 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1rd9 n PRO 53 N 2.44 2.56 -1.86 5.55 -0.02 -1.26 -4.95 135.00 137.46 1rd9 n PRO 53 Ca 0.14 0.92 -0.02 0.00 -2.02 0.00 0.00 63.50 62.51 1rd9 n PRO 53 Cb 0.30 -2.69 -0.00 0.00 -0.02 0.00 0.00 33.50 31.09 1rd9 n PRO 53 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rd9 n GLY 54 N 2.63 2.74 0.00 -1.23 0.00 -1.26 -5.03 105.19 103.03 1rd9 n GLY 54 Ca 0.11 -1.34 0.09 0.00 0.00 0.00 0.00 46.02 44.89 1rd9 n GLY 54 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1rd9 n SER 55 N -1.85 0.00 0.00 1.61 3.41 -1.26 -1.53 113.62 114.00 1rd9 n SER 55 Ca -0.00 0.19 0.10 0.00 -0.26 0.00 0.00 58.87 58.90 1rd9 n SER 55 Cb 0.10 -0.37 0.47 0.00 -0.26 0.00 0.00 64.21 64.15 1rd9 n SER 55 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rd9 n GLN 56 N -1.37 0.02 -4.41 4.33 0.00 -1.26 -4.78 117.38 109.91 1rd9 n GLN 56 Ca 0.08 0.13 -0.34 0.00 0.00 0.00 0.00 57.00 56.86 1rd9 n GLN 56 Cb 0.18 -1.50 -0.11 0.00 0.00 0.00 0.00 30.24 28.81 1rd9 n GLN 56 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.06 176.05 1rd9 s HIS 57 N -2.97 3.06 0.66 2.61 3.76 -0.58 -5.12 115.29 116.71 1rd9 s HIS 57 Ca 0.11 -0.08 -0.09 0.00 -0.15 0.00 0.00 55.06 54.85 1rd9 s HIS 57 Cb 0.14 -1.88 0.02 0.00 1.11 0.00 0.00 32.58 31.97 1rd9 s HIS 57 CO 0.39 0.18 1.01 0.96 -0.85 0.00 0.00 174.74 176.43 1rd9 s ILE 58 N -0.18 3.44 0.26 0.60 -4.36 -1.26 -4.87 121.20 114.82 1rd9 s ILE 58 Ca 0.04 0.22 -0.02 0.00 -0.26 0.00 0.00 60.65 60.63 1rd9 s ILE 58 Cb -0.13 -3.42 0.23 0.00 1.25 0.00 0.00 42.46 40.39 1rd9 s ILE 58 CO 0.02 -0.50 1.75 0.44 0.24 0.00 0.00 174.94 176.89 1rd9 h ASP 59 N -0.46 0.45 0.78 4.36 3.32 -1.99 0.31 116.42 123.18 1rd9 h ASP 59 Ca -0.45 0.10 -0.00 0.00 0.02 0.00 0.00 57.03 56.69 1rd9 h ASP 59 Cb 1.26 0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.84 1rd9 h ASP 59 CO 0.62 0.19 -0.01 0.77 -1.72 0.00 0.00 179.24 179.09 1rd9 h SER 60 N 0.57 0.00 1.62 6.45 4.64 -2.04 -1.51 113.55 123.28 1rd9 h SER 60 Ca 0.44 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.72 1rd9 h SER 60 Cb 0.63 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.72 1rd9 h SER 60 CO -0.37 0.01 -0.22 1.56 -0.87 0.00 0.00 176.83 176.94 1rd9 h GLN 61 N 0.00 0.00 -0.56 4.77 4.20 -1.29 -3.35 115.11 118.88 1rd9 h GLN 61 Ca -0.00 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.74 1rd9 h GLN 61 Cb 0.40 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.14 1rd9 h GLN 61 CO 0.00 0.22 0.34 0.87 -0.67 0.00 0.00 178.83 179.58 1rd9 h LYS 62 N 0.00 0.64 -0.44 1.46 1.57 -1.23 0.27 116.57 118.84 1rd9 h LYS 62 Ca -0.00 -0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.65 1rd9 h LYS 62 Cb 1.09 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.23 1rd9 h LYS 62 CO 0.03 0.43 -0.09 0.87 -0.57 0.00 0.00 179.45 180.11 1rd9 h LYS 63 N 0.66 0.77 -0.06 3.15 1.57 -1.74 -2.81 116.57 118.11 1rd9 h LYS 63 Ca 0.23 -0.25 -0.12 0.00 -1.87 0.00 0.00 60.65 58.64 1rd9 h LYS 63 Cb 0.03 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 1rd9 h LYS 63 CO -0.10 0.84 -0.49 0.00 -0.57 0.00 0.00 179.45 179.13 1rd9 h ALA 64 N 1.19 1.06 -0.37 3.86 0.00 -1.53 -1.56 119.26 121.91 1rd9 h ALA 64 Ca 0.12 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 1rd9 h ALA 64 Cb 0.56 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1rd9 h ALA 64 CO 0.03 0.64 0.15 0.82 0.00 0.00 0.00 179.25 180.89 1rd9 h ILE 65 N 0.13 1.19 -0.77 0.00 2.04 -0.79 -0.60 117.51 118.70 1rd9 h ILE 65 Ca 0.01 -0.57 -0.02 0.00 1.00 0.00 0.00 64.86 65.27 1rd9 h ILE 65 Cb 0.91 0.88 -0.04 0.00 -0.74 0.00 0.00 36.82 37.84 1rd9 h ILE 65 CO 0.07 0.21 0.39 -0.33 0.00 0.00 0.00 178.15 178.48 1rd9 h GLU 66 N 0.45 1.10 -0.77 2.37 4.39 -1.24 -2.42 114.58 118.45 1rd9 h GLU 66 Ca 0.12 -0.15 -0.03 0.00 0.34 0.00 0.00 59.36 59.64 1rd9 h GLU 66 Cb 0.18 -0.20 -0.03 0.00 -0.10 0.00 0.00 28.75 28.59 1rd9 h GLU 66 CO -0.01 0.84 0.35 -0.09 -1.16 0.00 0.00 179.01 178.93 1rd9 h ARG 67 N 1.08 1.12 -0.55 2.33 2.43 -1.03 -1.85 114.38 117.92 1rd9 h ARG 67 Ca 0.27 -0.18 -0.02 0.00 -0.81 0.00 0.00 59.98 59.24 1rd9 h ARG 67 Cb 0.09 -0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 29.42 1rd9 h ARG 67 CO -0.04 0.89 0.27 1.98 -1.51 0.00 0.00 179.97 181.56 1rd9 h MET 68 N 1.09 0.79 -0.64 0.20 4.05 -0.82 0.20 114.93 119.80 1rd9 h MET 68 Ca 0.26 -0.11 -0.06 0.00 -0.28 0.00 0.00 59.70 59.50 1rd9 h MET 68 Cb 0.16 -0.14 -0.03 0.00 -0.80 0.00 0.00 31.60 30.78 1rd9 h MET 68 CO -0.03 0.64 0.14 0.87 0.23 0.00 0.00 176.91 178.77 1rd9 h LYS 69 N 0.74 1.02 -0.54 0.39 1.57 -1.17 -0.59 116.57 117.99 1rd9 h LYS 69 Ca 0.19 -0.24 0.05 0.00 -1.87 0.00 0.00 60.65 58.79 1rd9 h LYS 69 Cb 0.11 -0.14 -0.05 0.00 0.08 0.00 0.00 32.23 32.23 1rd9 h LYS 69 CO -0.02 0.91 0.26 -0.44 -0.57 0.00 0.00 179.45 179.59 1rd9 h ASP 70 N 0.97 0.35 -0.50 0.86 3.32 -0.48 -2.22 116.42 118.72 1rd9 h ASP 70 Ca 0.20 0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.26 1rd9 h ASP 70 Cb 0.36 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 1rd9 h ASP 70 CO 0.00 0.24 0.20 0.74 -1.72 0.00 0.00 179.24 178.70 1rd9 h THR 71 N 0.49 1.21 -0.49 0.35 2.02 0.05 -2.20 112.91 114.34 1rd9 h THR 71 Ca 0.24 -0.65 -0.11 0.00 0.77 0.00 0.00 66.41 66.66 1rd9 h THR 71 Cb 0.18 0.71 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 1rd9 h THR 71 CO -0.19 0.25 -0.15 -0.07 0.37 0.00 0.00 175.52 175.73 1rd9 h LEU 72 N 0.66 0.94 -0.10 2.58 3.38 -1.06 0.87 115.31 122.57 1rd9 h LEU 72 Ca 0.17 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 1rd9 h LEU 72 Cb 0.19 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 1rd9 h LEU 72 CO -0.01 1.08 0.06 -0.09 0.09 0.00 0.00 178.44 179.56 1rd9 h ARG 73 N 0.82 0.14 -0.09 1.13 2.43 -1.24 -0.04 114.38 117.54 1rd9 h ARG 73 Ca 0.12 -0.02 -0.17 0.00 -0.81 0.00 0.00 59.98 59.11 1rd9 h ARG 73 Cb 0.70 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.21 1rd9 h ARG 73 CO 0.05 0.16 -0.66 0.97 -1.51 0.00 0.00 179.97 178.99 1rd9 h ILE 74 N 0.08 1.38 -0.36 1.20 6.09 -1.22 -1.48 117.51 123.20 1rd9 h ILE 74 Ca 0.04 -2.05 0.02 0.00 -1.37 0.00 0.00 64.86 61.50 1rd9 h ILE 74 Cb 0.06 2.03 -0.02 0.00 0.47 0.00 0.00 36.82 39.36 1rd9 h ILE 74 CO -0.01 0.61 0.21 0.00 -3.07 0.00 0.00 178.15 175.90 1rd9 h ALA 75 N 1.05 0.45 -0.07 0.18 0.00 -0.73 -1.23 119.26 118.91 1rd9 h ALA 75 Ca -0.02 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1rd9 h ALA 75 Cb 1.20 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 1rd9 h ALA 75 CO 0.11 -0.14 -0.08 -0.92 0.00 0.00 0.00 179.25 178.22 1rd9 h TYR 76 N 0.43 -0.18 0.00 0.00 3.20 -0.75 -1.38 116.97 118.28 1rd9 h TYR 76 Ca 0.14 0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.95 1rd9 h TYR 76 Cb 0.01 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.36 1rd9 h TYR 76 CO -0.08 -0.12 -0.38 -0.07 -1.64 0.00 0.00 178.16 175.88 1rd9 h LEU 77 N -0.10 0.00 -0.42 2.82 3.38 -1.06 -2.39 115.31 117.55 1rd9 h LEU 77 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1rd9 h LEU 77 Cb 0.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1rd9 h LEU 77 CO -0.13 0.38 -0.27 0.35 0.09 0.00 0.00 178.44 178.86 1rd9 n THR 78 N -4.06 0.00 -2.78 0.22 -2.24 -0.48 -4.95 114.28 99.99 1rd9 n THR 78 Ca -0.02 -0.11 -0.21 0.00 -2.27 0.00 0.00 64.05 61.45 1rd9 n THR 78 Cb 0.42 0.34 0.02 0.00 -2.10 0.00 0.00 70.33 69.01 1rd9 n THR 78 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1rd9 n GLU 79 N -0.77 -3.68 -2.12 -0.78 1.02 -0.60 -4.94 120.64 108.76 1rd9 n GLU 79 Ca 0.12 0.90 -0.42 0.00 -0.02 0.00 0.00 57.16 57.74 1rd9 n GLU 79 Cb 0.34 -5.62 -0.03 0.00 -0.02 0.00 0.00 31.44 26.12 1rd9 n GLU 79 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1rd9 s ALA 80 N -3.10 3.60 0.06 0.62 0.00 -0.72 -4.74 121.76 117.48 1rd9 s ALA 80 Ca 0.20 1.20 -0.31 0.00 0.00 0.00 0.00 51.96 53.05 1rd9 s ALA 80 Cb -0.09 -3.53 -0.08 0.00 0.00 0.00 0.00 23.12 19.42 1rd9 s ALA 80 CO 0.24 -0.64 1.71 0.21 0.00 0.00 0.00 175.76 177.28 1rd9 s LYS 81 N 0.23 4.18 -0.20 0.00 2.20 -1.25 -4.30 119.74 120.59 1rd9 s LYS 81 Ca 0.61 2.38 -0.23 0.00 -0.36 0.00 0.00 55.97 58.37 1rd9 s LYS 81 Cb -0.39 -3.68 -0.02 0.00 -1.51 0.00 0.00 37.83 32.24 1rd9 s LYS 81 CO 0.37 -0.78 0.72 0.08 -0.36 0.00 0.00 175.35 175.39 1rd9 s VAL 82 N 2.93 4.94 0.00 4.02 1.01 -0.13 -3.16 120.40 130.02 1rd9 s VAL 82 Ca 0.76 1.38 0.00 0.00 0.00 0.00 0.00 61.98 64.12 1rd9 s VAL 82 Cb -0.40 -4.03 0.00 0.00 0.00 0.00 0.00 36.38 31.94 1rd9 s VAL 82 CO 0.33 0.05 0.22 1.21 0.00 0.00 0.00 175.10 176.91 1rd9 n GLU 83 N 5.33 0.00 -4.15 2.72 2.13 0.40 -0.59 120.64 126.48 1rd9 n GLU 83 Ca 0.02 0.47 -0.13 0.00 0.66 0.00 0.00 57.16 58.17 1rd9 n GLU 83 Cb 0.49 -1.08 -0.11 0.00 0.27 0.00 0.00 31.44 31.01 1rd9 n GLU 83 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1rd9 s LYS 84 N -1.37 0.79 -0.07 5.31 1.02 -1.15 -0.57 119.74 123.70 1rd9 s LYS 84 Ca 0.00 -1.14 0.05 0.00 0.02 0.00 0.00 55.97 54.90 1rd9 s LYS 84 Cb 0.00 -0.38 -0.01 0.00 -0.52 0.00 0.00 37.83 36.92 1rd9 s LYS 84 CO 0.00 0.04 -0.24 -0.51 -0.92 0.00 0.00 175.35 173.73 1rd9 s LEU 85 N -2.48 2.05 -0.20 3.17 1.43 -0.20 -1.25 118.68 121.19 1rd9 s LEU 85 Ca 0.05 -0.50 -0.16 0.00 -1.03 0.00 0.00 54.13 52.48 1rd9 s LEU 85 Cb -0.02 -1.33 -0.04 0.00 0.03 0.00 0.00 46.19 44.84 1rd9 s LEU 85 CO -0.01 0.21 0.43 0.00 0.23 0.00 0.00 176.35 177.21 1rd9 s VAL 87 N 1.40 0.99 -0.05 0.00 -7.23 -0.40 0.12 120.40 115.22 1rd9 s VAL 87 Ca 0.20 -1.61 -0.25 0.00 -1.81 0.00 0.00 61.98 58.51 1rd9 s VAL 87 Cb -0.15 -1.33 -0.03 0.00 0.56 0.00 0.00 36.38 35.42 1rd9 s VAL 87 CO 0.08 -0.51 0.78 0.26 -0.31 0.00 0.00 175.10 175.41 1rd9 s TRP 88 N -2.27 3.59 -1.74 2.82 0.51 0.43 -1.27 118.94 121.00 1rd9 s TRP 88 Ca 0.05 1.37 0.21 0.00 -2.12 0.00 0.00 56.10 55.61 1rd9 s TRP 88 Cb -0.04 -2.90 0.65 0.00 -0.81 0.00 0.00 33.47 30.37 1rd9 s TRP 88 CO 0.01 0.05 1.55 0.27 -0.51 0.00 0.00 176.95 178.31 1rd9 n ASN 89 N 3.87 4.08 -1.88 2.95 0.23 -0.10 -1.82 115.26 122.59 1rd9 n ASN 89 Ca 0.01 -2.09 0.07 0.00 -0.53 0.00 0.00 54.58 52.04 1rd9 n ASN 89 Cb 0.51 -0.50 0.41 0.00 -2.08 0.00 0.00 39.78 38.12 1rd9 n ASN 89 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1rd9 n ASN 90 N 1.49 5.73 -4.13 0.53 6.94 -1.26 -4.89 115.26 119.67 1rd9 n ASN 90 Ca 0.24 -2.93 -0.13 0.00 -0.02 0.00 0.00 54.58 51.74 1rd9 n ASN 90 Cb 0.67 -0.69 -0.11 0.00 -2.36 0.00 0.00 39.78 37.30 1rd9 n ASN 90 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1rd9 s LYS 91 N -2.77 0.72 -0.07 -3.83 -0.14 -1.26 -5.10 119.74 107.30 1rd9 s LYS 91 Ca 0.55 -1.04 0.01 0.00 -1.36 0.00 0.00 55.97 54.13 1rd9 s LYS 91 Cb 0.42 -0.37 0.02 0.00 -1.68 0.00 0.00 37.83 36.22 1rd9 s LYS 91 CO 0.16 0.05 -0.08 0.99 -0.76 0.00 0.00 175.35 175.71 1rd9 s THR 92 N -2.28 0.89 0.98 2.17 2.01 -1.26 -2.82 115.64 115.33 1rd9 s THR 92 Ca 0.01 -0.29 -0.12 0.00 0.31 0.00 0.00 61.69 61.59 1rd9 s THR 92 Cb -0.04 -0.88 0.11 0.00 0.01 0.00 0.00 72.50 71.70 1rd9 s THR 92 CO -0.01 0.32 0.70 -2.65 -0.69 0.00 0.00 174.62 172.29 1rd9 n PRO 93 N 4.25 -0.69 -1.73 4.92 -0.02 -1.26 -5.05 135.00 135.42 1rd9 n PRO 93 Ca -0.20 -0.15 -0.39 0.00 -2.02 0.00 0.00 63.50 60.73 1rd9 n PRO 93 Cb 0.51 -2.06 0.03 0.00 -0.02 0.00 0.00 33.50 31.96 1rd9 n PRO 93 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1rd9 n HIS 94 N -4.06 2.29 -3.92 6.00 8.25 -1.13 -4.49 115.22 118.17 1rd9 n HIS 94 Ca 0.08 0.45 -0.35 0.00 -0.26 0.00 0.00 57.72 57.64 1rd9 n HIS 94 Cb 0.54 -2.38 -0.10 0.00 1.12 0.00 0.00 29.99 29.17 1rd9 n HIS 94 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1rd9 s ALA 95 N -1.25 3.45 0.08 -1.41 0.00 -0.75 -1.66 121.76 120.21 1rd9 s ALA 95 Ca 0.67 -0.78 -0.31 0.00 0.00 0.00 0.00 51.96 51.54 1rd9 s ALA 95 Cb -0.45 -2.01 -0.07 0.00 0.00 0.00 0.00 23.12 20.60 1rd9 s ALA 95 CO 0.53 0.09 1.40 0.42 0.00 0.00 0.00 175.76 178.20 1rd9 s ILE 96 N 0.52 3.41 -0.17 0.00 1.01 0.13 -0.43 121.20 125.68 1rd9 s ILE 96 Ca 0.04 0.97 0.09 0.00 0.00 0.00 0.00 60.65 61.75 1rd9 s ILE 96 Cb -0.12 -3.62 -0.16 0.00 0.01 0.00 0.00 42.46 38.56 1rd9 s ILE 96 CO 0.01 0.05 -0.03 0.00 0.00 0.00 0.00 174.94 174.97 1rd9 n ALA 97 N 4.38 1.61 -3.35 9.38 0.00 0.12 -4.83 120.51 127.82 1rd9 n ALA 97 Ca 0.12 -0.93 -0.12 0.00 0.00 0.00 0.00 53.44 52.50 1rd9 n ALA 97 Cb 0.43 -0.02 -0.03 0.00 0.00 0.00 0.00 19.45 19.82 1rd9 n ALA 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rd9 s ALA 98 N -2.37 -1.48 0.01 0.00 0.00 -0.89 -4.98 121.76 112.05 1rd9 s ALA 98 Ca -0.14 0.47 0.02 0.00 0.00 0.00 0.00 51.96 52.30 1rd9 s ALA 98 Cb 0.05 0.76 -0.01 0.00 0.00 0.00 0.00 23.12 23.92 1rd9 s ALA 98 CO 0.55 -0.70 -0.06 -1.50 0.00 0.00 0.00 175.76 174.05 1rd9 s ILE 99 N -3.48 0.47 -0.02 0.00 2.07 -1.26 -1.26 121.20 117.73 1rd9 s ILE 99 Ca -0.00 -0.46 0.07 0.00 -1.41 0.00 0.00 60.65 58.84 1rd9 s ILE 99 Cb -0.00 -0.44 -0.02 0.00 0.13 0.00 0.00 42.46 42.13 1rd9 s ILE 99 CO -0.10 -0.01 -0.22 -0.94 -1.91 0.00 0.00 174.94 171.76 1rd9 s SER 100 N -0.51 2.57 -0.08 4.50 1.04 -0.38 -5.01 113.70 115.82 1rd9 s SER 100 Ca -0.01 -0.40 0.04 0.00 0.48 0.00 0.00 55.95 56.06 1rd9 s SER 100 Cb -0.04 -0.31 0.00 0.00 0.10 0.00 0.00 66.02 65.77 1rd9 s SER 100 CO -0.00 0.27 -0.21 -0.04 0.98 0.00 0.00 173.24 174.24 1rd9 s MET 101 N -0.49 2.56 -0.06 4.02 -1.94 -1.26 -0.45 119.30 121.68 1rd9 s MET 101 Ca 0.08 -0.75 -0.31 0.00 -1.71 0.00 0.00 55.69 53.00 1rd9 s MET 101 Cb -0.09 -2.00 0.08 0.00 2.01 0.00 0.00 34.83 34.83 1rd9 s MET 101 CO -0.01 0.17 0.72 0.00 -0.01 0.00 0.00 175.02 175.89 1rd9 s ALA 102 N 0.33 -1.79 0.00 3.03 0.00 -1.19 -4.85 121.76 117.29 1rd9 s ALA 102 Ca -0.15 1.33 0.00 0.00 0.00 0.00 0.00 51.96 53.15 1rd9 s ALA 102 Cb -0.16 -0.07 0.00 0.00 0.00 0.00 0.00 23.12 22.89 1rd9 s ALA 102 CO 0.07 -0.37 0.00 0.09 0.00 0.00 0.00 175.76 175.54