#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 2.60 0.15 -2.82 -0.02 -1.26 -4.91 135.00 128.74 1rd9 n PRO 2 Ca 0.00 0.92 0.11 0.00 -2.02 0.00 0.00 63.50 62.51 1rd9 n PRO 2 Cb 0.00 -2.64 0.06 0.00 -0.02 0.00 0.00 33.50 30.90 1rd9 n PRO 2 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 1rd9 h GLN 3 N 3.36 0.00 -2.75 -0.52 1.08 -2.02 -3.49 115.11 110.77 1rd9 h GLN 3 Ca -0.49 0.00 0.11 0.00 -1.45 0.00 0.00 58.65 56.82 1rd9 h GLN 3 Cb 1.24 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 28.62 1rd9 h GLN 3 CO 0.68 0.01 0.33 0.54 -0.95 0.00 0.00 178.83 179.43 1rd9 s ASN 4 N -5.69 -0.22 0.33 1.46 2.20 -1.26 -5.06 114.94 106.71 1rd9 s ASN 4 Ca 0.02 -0.56 0.04 0.00 -0.94 0.00 0.00 52.86 51.43 1rd9 s ASN 4 Cb 0.08 0.64 0.59 0.00 -2.00 0.00 0.00 41.25 40.56 1rd9 s ASN 4 CO 0.75 -1.19 1.87 -0.29 -2.94 0.00 0.00 177.10 175.29 1rd9 h ILE 5 N 2.00 1.20 -0.26 0.54 2.10 -1.96 -2.00 117.51 119.13 1rd9 h ILE 5 Ca -0.21 -0.79 -0.03 0.00 1.08 0.00 0.00 64.86 64.90 1rd9 h ILE 5 Cb 1.24 0.93 -0.01 0.00 -1.09 0.00 0.00 36.82 37.89 1rd9 h ILE 5 CO 0.25 0.27 0.03 0.74 -1.08 0.00 0.00 178.15 178.36 1rd9 h THR 6 N 0.52 1.24 -0.63 2.19 2.02 -1.99 0.41 112.91 116.67 1rd9 h THR 6 Ca 0.11 -0.82 -0.08 0.00 0.77 0.00 0.00 66.41 66.40 1rd9 h THR 6 Cb 0.33 1.27 -0.03 0.00 -1.74 0.00 0.00 68.15 67.99 1rd9 h THR 6 CO 0.01 0.26 0.09 0.44 0.37 0.00 0.00 175.52 176.69 1rd9 h ASP 7 N 0.24 0.99 -0.06 4.18 3.32 -1.93 -2.04 116.42 121.11 1rd9 h ASP 7 Ca 0.08 -0.23 -0.00 0.00 0.02 0.00 0.00 57.03 56.89 1rd9 h ASP 7 Cb 0.36 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.64 1rd9 h ASP 7 CO 0.01 0.99 0.03 0.25 -1.72 0.00 0.00 179.24 178.80 1rd9 h LEU 8 N 0.97 0.08 -1.45 1.55 6.46 -1.16 -2.84 115.31 118.92 1rd9 h LEU 8 Ca 0.19 -0.08 0.07 0.00 -0.12 0.00 0.00 57.88 57.94 1rd9 h LEU 8 Cb 0.43 -0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 40.30 1rd9 h LEU 8 CO 0.01 0.14 0.45 0.00 -0.62 0.00 0.00 178.44 178.42 1rd9 n ALA 10 N -2.47 1.59 0.90 0.00 0.00 -0.79 -2.68 120.51 117.06 1rd9 n ALA 10 Ca 0.10 0.10 0.13 0.00 0.00 0.00 0.00 53.44 53.77 1rd9 n ALA 10 Cb 0.27 -1.38 0.56 0.00 0.00 0.00 0.00 19.45 18.89 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 -2.26 0.00 -4.57 0.00 1.02 -0.65 -4.82 120.64 109.35 1rd9 n GLU 11 Ca 0.02 0.05 -0.29 0.00 -0.02 0.00 0.00 57.16 56.91 1rd9 n GLU 11 Cb 0.21 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 29.99 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 -3.00 2.31 0.57 -0.32 1.51 -1.09 -5.14 117.35 112.19 1rd9 s TYR 12 Ca 0.13 -0.39 -0.09 0.00 -1.01 0.00 0.00 57.07 55.71 1rd9 s TYR 12 Cb 0.17 -1.30 -0.04 0.00 -0.11 0.00 0.00 41.96 40.69 1rd9 s TYR 12 CO 0.48 0.26 0.94 -1.01 -1.11 0.00 0.00 175.55 175.11 1rd9 s HIS 13 N -0.97 3.59 -1.41 2.71 3.76 -1.26 -4.17 115.29 117.55 1rd9 s HIS 13 Ca 0.13 1.11 -0.01 0.00 -0.15 0.00 0.00 55.06 56.14 1rd9 s HIS 13 Cb -0.10 -2.58 0.00 0.00 1.11 0.00 0.00 32.58 31.01 1rd9 s HIS 13 CO 0.05 -0.56 0.10 0.09 -0.85 0.00 0.00 174.74 173.56 1rd9 n ASN 14 N -2.58 -5.03 -4.48 1.40 5.03 -1.26 -4.97 115.26 103.37 1rd9 n ASN 14 Ca 0.04 -0.06 -0.24 0.00 0.87 0.00 0.00 54.58 55.19 1rd9 n ASN 14 Cb 0.55 -4.08 -0.10 0.00 -1.02 0.00 0.00 39.78 35.13 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 -2.88 2.43 0.09 3.41 -4.23 -1.26 -0.58 115.64 112.62 1rd9 s THR 15 Ca 0.05 -2.37 -0.15 0.00 -1.18 0.00 0.00 61.69 58.04 1rd9 s THR 15 Cb -0.02 -2.37 0.03 0.00 1.34 0.00 0.00 72.50 71.48 1rd9 s THR 15 CO 0.06 -0.36 0.37 0.00 -0.54 0.00 0.00 174.62 174.14 1rd9 s GLN 16 N -3.53 0.98 -0.12 3.99 -2.07 -0.35 -4.88 119.66 113.68 1rd9 s GLN 16 Ca 0.30 -0.64 -0.14 0.00 -1.82 0.00 0.00 55.36 53.06 1rd9 s GLN 16 Cb -0.03 0.43 -0.05 0.00 -1.09 0.00 0.00 33.01 32.27 1rd9 s GLN 16 CO 0.15 -0.36 0.34 0.42 -1.32 0.00 0.00 175.29 174.52 1rd9 s ILE 17 N -3.39 5.25 -0.20 3.63 -1.09 -1.26 -1.06 121.20 123.08 1rd9 s ILE 17 Ca 0.01 0.66 -0.04 0.00 -2.23 0.00 0.00 60.65 59.04 1rd9 s ILE 17 Cb 0.01 -3.67 -0.02 0.00 -1.58 0.00 0.00 42.46 37.20 1rd9 s ILE 17 CO -0.09 0.42 -0.02 -1.00 -1.23 0.00 0.00 174.94 173.02 1rd9 s HIS 18 N 0.17 3.01 -0.34 3.97 3.76 -0.17 -4.99 115.29 120.70 1rd9 s HIS 18 Ca 0.19 -0.56 -0.12 0.00 -0.15 0.00 0.00 55.06 54.42 1rd9 s HIS 18 Cb -0.14 -2.07 -0.01 0.00 1.11 0.00 0.00 32.58 31.47 1rd9 s HIS 18 CO 0.07 -0.30 0.23 0.99 -0.85 0.00 0.00 174.74 174.88 1rd9 s THR 19 N 1.04 5.15 -0.22 1.30 2.01 -1.26 -1.20 115.64 122.46 1rd9 s THR 19 Ca 0.02 -0.30 -0.04 0.00 0.31 0.00 0.00 61.69 61.68 1rd9 s THR 19 Cb -0.14 -3.67 -0.13 0.00 0.01 0.00 0.00 72.50 68.57 1rd9 s THR 19 CO 0.01 -0.02 -0.24 0.18 -0.69 0.00 0.00 174.62 173.86 1rd9 n LEU 20 N 5.09 2.44 -4.29 4.42 7.99 0.52 -5.00 117.00 128.17 1rd9 n LEU 20 Ca -0.13 0.05 -0.31 0.00 -0.01 0.00 0.00 56.01 55.61 1rd9 n LEU 20 Cb 0.49 -0.73 -0.09 0.00 -0.11 0.00 0.00 43.42 42.98 1rd9 n LEU 20 CO 0.37 0.71 -0.46 0.59 -1.51 0.00 0.00 177.39 177.09 1rd9 n ASN 21 N -3.50 0.84 -3.61 -1.43 3.02 -0.09 -4.95 115.26 105.54 1rd9 n ASN 21 Ca -0.42 -1.26 -0.13 0.00 -0.03 0.00 0.00 54.58 52.75 1rd9 n ASN 21 Cb 0.88 -1.72 -0.06 0.00 -0.61 0.00 0.00 39.78 38.27 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 -4.38 -0.36 0.83 6.41 2.15 -0.76 -4.90 116.67 115.66 1rd9 s ASP 22 Ca 0.00 0.08 -0.11 0.00 0.43 0.00 0.00 52.55 52.95 1rd9 s ASP 22 Cb -0.00 0.46 0.09 0.00 -0.30 0.00 0.00 42.92 43.17 1rd9 s ASP 22 CO 0.99 -0.70 1.09 -1.59 -0.17 0.00 0.00 175.17 174.79 1rd9 s LYS 23 N -2.52 1.79 0.10 4.34 -2.85 -1.26 -1.08 119.74 118.26 1rd9 s LYS 23 Ca -0.05 1.01 -0.30 0.00 -1.00 0.00 0.00 55.97 55.63 1rd9 s LYS 23 Cb -0.01 -1.86 -0.06 0.00 -2.06 0.00 0.00 37.83 33.85 1rd9 s LYS 23 CO -0.02 -1.92 1.16 0.42 0.10 0.00 0.00 175.35 175.08 1rd9 s ILE 24 N -2.92 4.00 -0.02 3.79 1.01 -1.26 -4.67 121.20 121.13 1rd9 s ILE 24 Ca 0.62 1.52 -0.04 0.00 0.00 0.00 0.00 60.65 62.75 1rd9 s ILE 24 Cb -0.18 -3.97 -0.28 0.00 0.01 0.00 0.00 42.46 38.04 1rd9 s ILE 24 CO 0.56 0.17 0.76 0.15 0.00 0.00 0.00 174.94 176.58 1rd9 h PHE 25 N 6.23 0.50 -3.45 3.97 3.57 -0.98 -3.47 116.94 123.30 1rd9 h PHE 25 Ca -0.43 -0.36 -0.14 0.00 3.53 0.00 0.00 57.97 60.57 1rd9 h PHE 25 Cb 1.21 -0.02 -0.21 0.00 2.79 0.00 0.00 35.95 39.73 1rd9 h PHE 25 CO 0.65 1.47 -0.47 -1.54 -2.23 0.00 0.00 178.31 176.19 1rd9 s SER 26 N -7.01 -0.01 -0.08 0.41 1.04 -0.90 -4.97 113.70 102.17 1rd9 s SER 26 Ca -0.12 -0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.18 1rd9 s SER 26 Cb 0.06 0.23 0.02 0.00 0.10 0.00 0.00 66.02 66.43 1rd9 s SER 26 CO 0.84 -0.36 -0.07 -0.47 0.98 0.00 0.00 173.24 174.17 1rd9 s TYR 27 N -1.29 1.19 -0.03 5.02 5.04 -1.26 -1.76 117.35 124.26 1rd9 s TYR 27 Ca -0.14 -0.49 0.06 0.00 -2.44 0.00 0.00 57.07 54.06 1rd9 s TYR 27 Cb -0.07 -1.01 -0.01 0.00 0.35 0.00 0.00 41.96 41.22 1rd9 s TYR 27 CO 0.02 -0.37 -0.21 0.99 -1.34 0.00 0.00 175.55 174.64 1rd9 s THR 28 N 1.39 1.64 -0.01 4.34 2.01 0.28 -5.00 115.64 120.29 1rd9 s THR 28 Ca -0.02 -0.87 -0.02 0.00 0.31 0.00 0.00 61.69 61.08 1rd9 s THR 28 Cb -0.13 -1.38 -0.00 0.00 0.01 0.00 0.00 72.50 71.00 1rd9 s THR 28 CO -0.04 0.47 0.05 -1.83 -0.69 0.00 0.00 174.62 172.58 1rd9 s GLU 29 N -0.35 0.16 0.01 4.92 -1.05 -1.26 -0.66 118.70 120.47 1rd9 s GLU 29 Ca 0.04 -0.11 0.06 0.00 -0.15 0.00 0.00 54.97 54.81 1rd9 s GLU 29 Cb -0.09 0.07 -0.02 0.00 -0.44 0.00 0.00 34.13 33.64 1rd9 s GLU 29 CO 0.00 -0.03 -0.19 0.45 0.95 0.00 0.00 175.26 176.45 1rd9 s SER 30 N -0.42 2.24 0.00 0.83 0.15 -0.65 -5.01 113.70 110.83 1rd9 s SER 30 Ca -0.05 -0.40 0.11 0.00 0.70 0.00 0.00 55.95 56.31 1rd9 s SER 30 Cb -0.03 -0.22 0.23 0.00 -1.71 0.00 0.00 66.02 64.29 1rd9 s SER 30 CO 0.00 0.19 1.11 0.00 1.20 0.00 0.00 173.24 175.75 1rd9 n LEU 31 N 2.32 2.58 -4.77 3.45 -0.00 -1.26 -2.88 117.00 116.45 1rd9 n LEU 31 Ca -0.16 -1.61 -0.39 0.00 -0.00 0.00 0.00 56.01 53.85 1rd9 n LEU 31 Cb 0.54 -0.15 -0.00 0.00 -0.00 0.00 0.00 43.42 43.81 1rd9 n LEU 31 CO 0.24 0.60 0.97 0.00 -0.00 0.00 0.00 177.39 179.20 1rd9 s ALA 32 N -0.99 3.24 0.16 1.47 0.00 -1.26 -4.81 121.76 119.57 1rd9 s ALA 32 Ca 0.20 1.26 -0.33 0.00 0.00 0.00 0.00 51.96 53.09 1rd9 s ALA 32 Cb 0.12 -3.50 -0.13 0.00 0.00 0.00 0.00 23.12 19.61 1rd9 s ALA 32 CO 0.16 -0.88 1.69 0.41 0.00 0.00 0.00 175.76 177.14 1rd9 n GLY 33 N 0.65 1.37 3.08 0.00 0.00 -1.26 -0.94 105.19 108.09 1rd9 n GLY 33 Ca 0.04 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.72 1rd9 n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1rd9 n LYS 34 N 4.13 -0.39 -2.53 1.61 4.76 -1.26 -4.83 118.16 119.66 1rd9 n LYS 34 Ca 0.17 0.10 -0.12 0.00 -2.87 0.00 0.00 58.31 55.59 1rd9 n LYS 34 Cb 0.32 -3.66 0.03 0.00 -1.84 0.00 0.00 35.03 29.88 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 -1.63 2.38 -2.74 1.97 5.12 -0.11 -4.96 116.66 116.69 1rd9 n ARG 35 Ca 0.00 -3.78 -0.42 0.00 -1.93 0.00 0.00 57.85 51.71 1rd9 n ARG 35 Cb 0.10 -1.82 -0.03 0.00 -1.16 0.00 0.00 32.46 29.55 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 -3.59 3.62 0.25 5.56 8.01 -1.13 -4.28 118.70 127.14 1rd9 s GLU 36 Ca 0.37 -1.50 -0.10 0.00 0.01 0.00 0.00 54.97 53.75 1rd9 s GLU 36 Cb 0.38 -5.15 -0.01 0.00 -4.31 0.00 0.00 34.13 25.04 1rd9 s GLU 36 CO -0.02 -1.99 0.42 0.00 0.01 0.00 0.00 175.26 173.68 1rd9 s MET 37 N 3.77 1.52 0.07 1.61 0.23 -1.14 -4.09 119.30 121.26 1rd9 s MET 37 Ca 0.40 -1.35 0.07 0.00 -1.03 0.00 0.00 55.69 53.78 1rd9 s MET 37 Cb -0.02 0.44 -0.03 0.00 -1.53 0.00 0.00 34.83 33.69 1rd9 s MET 37 CO -0.09 -0.61 -0.18 0.00 -2.03 0.00 0.00 175.02 172.11 1rd9 s ALA 38 N -3.97 1.55 -0.04 3.16 0.00 -1.18 -1.64 121.76 119.64 1rd9 s ALA 38 Ca 0.26 -1.06 0.03 0.00 0.00 0.00 0.00 51.96 51.19 1rd9 s ALA 38 Cb 0.01 -0.24 0.00 0.00 0.00 0.00 0.00 23.12 22.89 1rd9 s ALA 38 CO 0.10 0.31 -0.12 0.42 0.00 0.00 0.00 175.76 176.47 1rd9 s ILE 39 N -1.00 1.06 0.11 0.00 1.01 0.17 -0.98 121.20 121.57 1rd9 s ILE 39 Ca 0.04 -0.49 0.09 0.00 0.00 0.00 0.00 60.65 60.30 1rd9 s ILE 39 Cb -0.09 -0.94 -0.04 0.00 0.01 0.00 0.00 42.46 41.40 1rd9 s ILE 39 CO 0.03 0.32 -0.23 0.27 0.00 0.00 0.00 174.94 175.33 1rd9 s ILE 40 N 0.29 1.93 0.16 2.92 -4.36 0.08 -0.56 121.20 121.67 1rd9 s ILE 40 Ca -0.06 -1.64 0.07 0.00 -0.26 0.00 0.00 60.65 58.75 1rd9 s ILE 40 Cb -0.11 -1.74 -0.04 0.00 1.25 0.00 0.00 42.46 41.81 1rd9 s ILE 40 CO 0.02 -0.01 -0.14 0.42 0.24 0.00 0.00 174.94 175.47 1rd9 s THR 41 N -1.14 1.52 0.35 8.37 -4.23 -0.72 -1.00 115.64 118.78 1rd9 s THR 41 Ca 0.10 -1.96 0.08 0.00 -1.18 0.00 0.00 61.69 58.72 1rd9 s THR 41 Cb -0.10 -1.79 -0.03 0.00 1.34 0.00 0.00 72.50 71.92 1rd9 s THR 41 CO 0.05 -0.51 0.27 -0.36 -0.54 0.00 0.00 174.62 173.54 1rd9 s PHE 42 N -2.56 2.84 0.46 3.99 0.08 -0.62 -0.32 117.98 121.85 1rd9 s PHE 42 Ca 0.15 -0.34 0.17 0.00 0.12 0.00 0.00 56.93 57.03 1rd9 s PHE 42 Cb -0.03 -1.81 1.13 0.00 -0.57 0.00 0.00 43.02 41.74 1rd9 s PHE 42 CO 0.04 0.18 2.03 1.57 -0.10 0.00 0.00 175.22 178.95 1rd9 h LYS 43 N 1.28 0.00 0.00 0.44 2.10 -1.90 0.15 116.57 118.64 1rd9 h LYS 43 Ca -0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 1rd9 h LYS 43 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 1rd9 h LYS 43 CO 0.59 0.15 0.00 0.27 -2.00 0.00 0.00 179.45 178.46 1rd9 n ASN 44 N -4.24 0.00 0.00 7.07 0.23 -1.26 -4.90 115.26 112.16 1rd9 n ASN 44 Ca -0.02 0.19 0.00 0.00 -0.53 0.00 0.00 54.58 54.22 1rd9 n ASN 44 Cb 0.22 -0.34 0.00 0.00 -2.08 0.00 0.00 39.78 37.58 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 -0.13 3.25 3.69 4.83 0.00 0.52 -5.06 105.19 112.29 1rd9 n GLY 45 Ca 0.06 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.63 1rd9 n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rd9 n ALA 46 N -1.59 1.58 -2.53 4.61 0.00 -1.26 -4.68 120.51 116.65 1rd9 n ALA 46 Ca 0.00 0.42 -0.28 0.00 0.00 0.00 0.00 53.44 53.57 1rd9 n ALA 46 Cb 0.00 -2.35 -0.16 0.00 0.00 0.00 0.00 19.45 16.94 1rd9 n ALA 46 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1rd9 s THR 47 N 0.37 1.73 0.04 0.00 2.01 -1.26 -1.58 115.64 116.95 1rd9 s THR 47 Ca 0.71 -0.92 0.02 0.00 0.31 0.00 0.00 61.69 61.81 1rd9 s THR 47 Cb -0.62 -1.45 -0.03 0.00 0.01 0.00 0.00 72.50 70.41 1rd9 s THR 47 CO 0.44 0.49 -0.07 -0.36 -0.69 0.00 0.00 174.62 174.43 1rd9 s PHE 48 N -0.37 0.62 0.21 4.92 0.08 -0.17 -3.95 117.98 119.32 1rd9 s PHE 48 Ca 0.05 -0.55 0.11 0.00 0.12 0.00 0.00 56.93 56.66 1rd9 s PHE 48 Cb -0.10 -0.38 -0.04 0.00 -0.57 0.00 0.00 43.02 41.93 1rd9 s PHE 48 CO 0.00 -0.11 -0.22 1.14 -0.10 0.00 0.00 175.22 175.93 1rd9 s GLN 49 N -1.81 1.61 -0.34 0.44 -2.07 -0.43 -0.74 119.66 116.32 1rd9 s GLN 49 Ca -0.09 -1.54 -0.13 0.00 -1.82 0.00 0.00 55.36 51.79 1rd9 s GLN 49 Cb -0.08 -1.87 -0.02 0.00 -1.09 0.00 0.00 33.01 29.95 1rd9 s GLN 49 CO -0.00 0.39 0.23 0.08 -1.32 0.00 0.00 175.29 174.67 1rd9 s VAL 50 N -1.82 5.25 0.63 3.63 1.01 -0.16 -0.39 120.40 128.55 1rd9 s VAL 50 Ca 0.23 -0.21 -0.19 0.00 0.00 0.00 0.00 61.98 61.81 1rd9 s VAL 50 Cb -0.07 -3.69 -0.02 0.00 0.00 0.00 0.00 36.38 32.60 1rd9 s VAL 50 CO 0.11 0.00 1.29 -1.61 0.00 0.00 0.00 175.10 174.89 1rd9 s GLU 51 N 1.72 2.70 0.25 2.72 2.02 -1.26 -3.12 118.70 123.73 1rd9 s GLU 51 Ca 0.06 2.04 -0.31 0.00 0.02 0.00 0.00 54.97 56.78 1rd9 s GLU 51 Cb -0.17 -1.91 -0.13 0.00 0.10 0.00 0.00 34.13 32.02 1rd9 s GLU 51 CO 0.10 -1.48 1.48 0.28 0.02 0.00 0.00 175.26 175.66 1rd9 n VAL 52 N -1.74 0.92 -1.82 2.63 0.31 -1.26 -4.88 118.33 112.49 1rd9 n VAL 52 Ca 0.15 -0.23 -0.41 0.00 -0.01 0.00 0.00 64.34 63.83 1rd9 n VAL 52 Cb 0.48 -1.64 -0.01 0.00 -0.91 0.00 0.00 33.84 31.76 1rd9 n VAL 52 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1rd9 s PRO 53 N -0.37 4.14 0.01 5.55 0.02 -1.26 -4.95 135.00 138.15 1rd9 s PRO 53 Ca 0.67 2.53 -0.00 0.00 0.02 0.00 0.00 61.00 64.22 1rd9 s PRO 53 Cb -0.60 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 30.90 1rd9 s PRO 53 CO 0.49 -0.57 0.02 0.41 -0.33 0.00 0.00 177.00 177.02 1rd9 n GLY 54 N 1.72 2.36 0.00 0.52 0.00 -1.26 -5.03 105.19 103.50 1rd9 n GLY 54 Ca 0.06 -1.15 0.08 0.00 0.00 0.00 0.00 46.02 45.01 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 -1.40 0.00 0.07 1.61 3.41 -1.26 -1.37 113.62 114.67 1rd9 n SER 55 Ca -0.00 0.47 0.12 0.00 -0.26 0.00 0.00 58.87 59.19 1rd9 n SER 55 Cb 0.02 -0.48 0.46 0.00 -0.26 0.00 0.00 64.21 63.95 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 -1.48 0.14 -3.82 4.33 0.00 -1.26 -4.80 117.38 110.49 1rd9 n GLN 56 Ca 0.04 0.23 -0.37 0.00 0.00 0.00 0.00 57.00 56.91 1rd9 n GLN 56 Cb 0.19 -1.70 -0.06 0.00 0.00 0.00 0.00 30.24 28.67 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 -3.12 3.59 0.53 2.61 3.76 -0.47 -5.10 115.29 117.08 1rd9 s HIS 57 Ca 0.09 0.56 -0.05 0.00 -0.15 0.00 0.00 55.06 55.51 1rd9 s HIS 57 Cb 0.12 -2.01 -0.01 0.00 1.11 0.00 0.00 32.58 31.80 1rd9 s HIS 57 CO 0.46 0.67 0.82 0.96 -0.85 0.00 0.00 174.74 176.81 1rd9 s ILE 58 N -0.85 4.15 0.29 0.60 -4.36 -1.26 -4.90 121.20 114.87 1rd9 s ILE 58 Ca 0.15 -0.01 -0.01 0.00 -0.26 0.00 0.00 60.65 60.52 1rd9 s ILE 58 Cb -0.12 -3.60 0.27 0.00 1.25 0.00 0.00 42.46 40.26 1rd9 s ILE 58 CO 0.04 -0.58 1.92 -0.78 0.24 0.00 0.00 174.94 175.79 1rd9 h ASP 59 N 0.06 0.95 0.13 4.36 1.82 -1.99 -0.33 116.42 121.42 1rd9 h ASP 59 Ca -0.46 -0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.17 1rd9 h ASP 59 Cb 1.24 -0.21 -0.00 0.00 0.68 0.00 0.00 39.33 41.04 1rd9 h ASP 59 CO 0.60 0.64 -0.04 0.77 -1.61 0.00 0.00 179.24 179.60 1rd9 h SER 60 N 1.10 0.00 1.26 2.28 4.64 -2.05 -1.52 113.55 119.25 1rd9 h SER 60 Ca 0.37 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.68 1rd9 h SER 60 Cb 0.09 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1rd9 h SER 60 CO -0.13 0.04 -0.05 1.56 -0.87 0.00 0.00 176.83 177.38 1rd9 h GLN 61 N 0.00 0.00 -0.21 4.77 4.20 -1.44 -3.35 115.11 119.09 1rd9 h GLN 61 Ca -0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1rd9 h GLN 61 Cb 0.11 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 1rd9 h GLN 61 CO 0.01 0.05 0.09 0.87 -0.67 0.00 0.00 178.83 179.18 1rd9 h LYS 62 N 0.00 0.31 -0.59 1.46 1.79 -1.33 0.94 116.57 119.14 1rd9 h LYS 62 Ca -0.00 -0.05 -0.03 0.00 -2.18 0.00 0.00 60.65 58.39 1rd9 h LYS 62 Cb 0.70 -0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 31.27 1rd9 h LYS 62 CO 0.01 0.35 0.25 1.57 -1.08 0.00 0.00 179.45 180.55 1rd9 h LYS 63 N 0.20 0.86 -0.13 3.15 2.10 -1.75 -2.66 116.57 118.33 1rd9 h LYS 63 Ca 0.07 -0.13 -0.14 0.00 -2.00 0.00 0.00 60.65 58.45 1rd9 h LYS 63 Cb 0.15 -0.15 -0.01 0.00 -0.90 0.00 0.00 32.23 31.32 1rd9 h LYS 63 CO -0.01 0.69 -0.52 0.00 -2.00 0.00 0.00 179.45 177.61 1rd9 h ALA 64 N 1.43 0.86 -0.44 0.07 0.00 -1.48 -0.67 119.26 119.03 1rd9 h ALA 64 Ca 0.20 -0.49 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 1rd9 h ALA 64 Cb 0.15 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1rd9 h ALA 64 CO -0.02 0.68 0.13 0.82 0.00 0.00 0.00 179.25 180.86 1rd9 h ILE 65 N 0.28 1.22 -0.33 0.00 2.04 -0.63 0.13 117.51 120.22 1rd9 h ILE 65 Ca 0.01 -0.75 -0.02 0.00 1.00 0.00 0.00 64.86 65.10 1rd9 h ILE 65 Cb 1.02 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.96 1rd9 h ILE 65 CO 0.09 0.27 0.15 -0.33 0.00 0.00 0.00 178.15 178.32 1rd9 h GLU 66 N 0.57 0.49 -0.68 2.37 4.39 -1.23 -2.49 114.58 118.01 1rd9 h GLU 66 Ca 0.14 -0.08 0.08 0.00 0.34 0.00 0.00 59.36 59.84 1rd9 h GLU 66 Cb 0.28 -0.08 -0.06 0.00 -0.10 0.00 0.00 28.75 28.78 1rd9 h GLU 66 CO -0.00 0.47 0.35 -0.09 -1.16 0.00 0.00 179.01 178.58 1rd9 h ARG 67 N 0.40 0.60 -0.70 2.33 2.43 -0.95 -2.28 114.38 116.21 1rd9 h ARG 67 Ca 0.11 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.25 1rd9 h ARG 67 Cb 0.15 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.53 1rd9 h ARG 67 CO -0.01 0.40 0.47 1.98 -1.51 0.00 0.00 179.97 181.29 1rd9 h MET 68 N 0.62 0.92 -0.51 0.20 4.05 -0.63 0.81 114.93 120.39 1rd9 h MET 68 Ca 0.32 -0.06 -0.06 0.00 -0.28 0.00 0.00 59.70 59.62 1rd9 h MET 68 Cb 0.28 -0.21 -0.02 0.00 -0.80 0.00 0.00 31.60 30.85 1rd9 h MET 68 CO -0.23 0.61 0.07 0.87 0.23 0.00 0.00 176.91 178.47 1rd9 h LYS 69 N 0.95 0.81 -0.60 0.39 1.57 -1.26 0.50 116.57 118.93 1rd9 h LYS 69 Ca 0.26 -0.19 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1rd9 h LYS 69 Cb -0.11 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.06 1rd9 h LYS 69 CO -0.06 0.77 0.36 -0.44 -0.57 0.00 0.00 179.45 179.51 1rd9 h ASP 70 N 0.77 0.72 -0.54 0.86 3.32 -0.76 -1.78 116.42 119.01 1rd9 h ASP 70 Ca 0.16 -0.06 -0.07 0.00 0.02 0.00 0.00 57.03 57.08 1rd9 h ASP 70 Cb 0.36 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 1rd9 h ASP 70 CO 0.01 0.57 0.07 0.74 -1.72 0.00 0.00 179.24 178.91 1rd9 h THR 71 N 0.81 1.26 -0.54 0.35 2.02 -0.22 -2.01 112.91 114.58 1rd9 h THR 71 Ca 0.21 -1.00 -0.11 0.00 0.77 0.00 0.00 66.41 66.29 1rd9 h THR 71 Cb -0.01 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 67.22 1rd9 h THR 71 CO -0.04 0.36 -0.10 -0.07 0.37 0.00 0.00 175.52 176.04 1rd9 h LEU 72 N 0.80 1.03 -0.20 2.58 3.38 -0.75 0.11 115.31 122.25 1rd9 h LEU 72 Ca 0.16 -0.35 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 1rd9 h LEU 72 Cb 0.44 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1rd9 h LEU 72 CO 0.01 1.13 0.12 -0.09 0.09 0.00 0.00 178.44 179.71 1rd9 h ARG 73 N 0.90 0.28 -0.03 1.13 2.43 -1.18 -0.61 114.38 117.30 1rd9 h ARG 73 Ca 0.14 -0.03 -0.17 0.00 -0.81 0.00 0.00 59.98 59.11 1rd9 h ARG 73 Cb 0.67 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.15 1rd9 h ARG 73 CO 0.05 0.25 -0.74 0.97 -1.51 0.00 0.00 179.97 178.98 1rd9 h ILE 74 N 0.24 1.44 -0.43 1.20 6.09 -1.18 -1.45 117.51 123.42 1rd9 h ILE 74 Ca 0.07 -2.31 0.02 0.00 -1.37 0.00 0.00 64.86 61.28 1rd9 h ILE 74 Cb 0.05 2.24 -0.03 0.00 0.47 0.00 0.00 36.82 39.54 1rd9 h ILE 74 CO -0.01 0.68 0.24 0.00 -3.07 0.00 0.00 178.15 175.99 1rd9 h ALA 75 N 1.08 0.54 -0.08 0.18 0.00 -0.69 -1.34 119.26 118.95 1rd9 h ALA 75 Ca -0.03 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.91 1rd9 h ALA 75 Cb 1.31 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 1rd9 h ALA 75 CO 0.11 -0.09 -0.08 -0.92 0.00 0.00 0.00 179.25 178.27 1rd9 h TYR 76 N 0.49 -0.19 0.00 0.00 3.20 -0.90 -1.36 116.97 118.21 1rd9 h TYR 76 Ca 0.17 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.98 1rd9 h TYR 76 Cb 0.03 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 1rd9 h TYR 76 CO -0.08 -0.12 -0.35 -0.07 -1.64 0.00 0.00 178.16 175.90 1rd9 h LEU 77 N -0.10 0.00 -0.78 2.82 3.38 -1.09 -2.46 115.31 117.08 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 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1rd9 h LEU 77 CO -0.14 0.35 -0.20 0.35 0.09 0.00 0.00 178.44 178.89 1rd9 n THR 78 N -3.82 0.00 -2.75 0.22 -2.24 -0.52 -4.95 114.28 100.22 1rd9 n THR 78 Ca -0.01 -0.20 -0.22 0.00 -2.27 0.00 0.00 64.05 61.35 1rd9 n THR 78 Cb 0.43 0.61 0.01 0.00 -2.10 0.00 0.00 70.33 69.28 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 -0.21 -3.44 -2.06 -0.78 1.02 -0.63 -4.95 120.64 109.59 1rd9 n GLU 79 Ca 0.14 0.94 -0.42 0.00 -0.02 0.00 0.00 57.16 57.81 1rd9 n GLU 79 Cb 0.38 -5.72 -0.03 0.00 -0.02 0.00 0.00 31.44 26.06 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 -3.11 3.63 0.01 0.62 0.00 -0.61 -4.72 121.76 117.57 1rd9 s ALA 80 Ca 0.17 1.27 -0.30 0.00 0.00 0.00 0.00 51.96 53.10 1rd9 s ALA 80 Cb -0.07 -3.55 -0.05 0.00 0.00 0.00 0.00 23.12 19.44 1rd9 s ALA 80 CO 0.21 -0.70 1.35 0.21 0.00 0.00 0.00 175.76 176.83 1rd9 s LYS 81 N 0.04 4.31 -0.20 0.00 2.20 -1.26 -4.25 119.74 120.57 1rd9 s LYS 81 Ca 0.61 1.91 -0.22 0.00 -0.36 0.00 0.00 55.97 57.90 1rd9 s LYS 81 Cb -0.41 -3.52 -0.02 0.00 -1.51 0.00 0.00 37.83 32.37 1rd9 s LYS 81 CO 0.39 -0.51 0.70 0.08 -0.36 0.00 0.00 175.35 175.65 1rd9 s VAL 82 N 2.14 4.96 -0.02 4.02 1.01 -0.24 -3.18 120.40 129.09 1rd9 s VAL 82 Ca 0.62 1.34 -0.02 0.00 0.00 0.00 0.00 61.98 63.91 1rd9 s VAL 82 Cb -0.31 -4.01 -0.01 0.00 0.00 0.00 0.00 36.38 32.05 1rd9 s VAL 82 CO 0.26 0.06 0.22 -0.08 0.00 0.00 0.00 175.10 175.57 1rd9 h GLU 83 N 7.49 -0.08 -4.67 2.72 4.81 -1.05 0.01 114.58 123.82 1rd9 h GLU 83 Ca -0.30 0.01 -0.27 0.00 -0.13 0.00 0.00 59.36 58.67 1rd9 h GLU 83 Cb 1.13 0.02 -0.19 0.00 0.63 0.00 0.00 28.75 30.34 1rd9 h GLU 83 CO 0.80 -0.05 -0.72 0.15 -0.73 0.00 0.00 179.01 178.45 1rd9 s LYS 84 N -1.70 0.67 -0.06 1.92 1.02 -1.13 -0.35 119.74 120.12 1rd9 s LYS 84 Ca -0.01 -1.00 0.06 0.00 0.02 0.00 0.00 55.97 55.04 1rd9 s LYS 84 Cb 0.00 -0.31 -0.01 0.00 -0.52 0.00 0.00 37.83 36.99 1rd9 s LYS 84 CO 0.04 0.04 -0.24 -0.51 -0.92 0.00 0.00 175.35 173.75 1rd9 s LEU 85 N -2.15 2.05 -0.20 3.17 1.43 -0.34 -1.04 118.68 121.60 1rd9 s LEU 85 Ca -0.01 -0.49 -0.16 0.00 -1.03 0.00 0.00 54.13 52.43 1rd9 s LEU 85 Cb -0.04 -1.32 -0.04 0.00 0.03 0.00 0.00 46.19 44.82 1rd9 s LEU 85 CO -0.01 0.23 0.42 0.00 0.23 0.00 0.00 176.35 177.22 1rd9 s VAL 87 N 1.31 0.93 -0.10 0.00 -7.23 -0.22 0.08 120.40 115.17 1rd9 s VAL 87 Ca 0.20 -1.52 -0.24 0.00 -1.81 0.00 0.00 61.98 58.61 1rd9 s VAL 87 Cb -0.15 -1.22 -0.03 0.00 0.56 0.00 0.00 36.38 35.54 1rd9 s VAL 87 CO 0.08 -0.47 0.75 0.26 -0.31 0.00 0.00 175.10 175.41 1rd9 s TRP 88 N -2.10 3.52 -2.25 2.82 0.51 0.49 -1.21 118.94 120.72 1rd9 s TRP 88 Ca 0.02 1.26 0.22 0.00 -2.12 0.00 0.00 56.10 55.48 1rd9 s TRP 88 Cb -0.05 -2.89 0.53 0.00 -0.81 0.00 0.00 33.47 30.25 1rd9 s TRP 88 CO 0.01 -0.04 1.46 0.27 -0.51 0.00 0.00 176.95 178.14 1rd9 n ASN 89 N 4.31 3.34 -0.89 2.95 0.23 0.25 -1.85 115.26 123.59 1rd9 n ASN 89 Ca 0.01 -1.97 0.07 0.00 -0.53 0.00 0.00 54.58 52.16 1rd9 n ASN 89 Cb 0.50 -0.32 0.21 0.00 -2.08 0.00 0.00 39.78 38.09 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 1.37 2.58 -4.26 0.53 6.94 -1.26 -4.88 115.26 116.28 1rd9 n ASN 90 Ca 0.20 -2.05 -0.18 0.00 -0.02 0.00 0.00 54.58 52.54 1rd9 n ASN 90 Cb 0.56 -0.33 -0.11 0.00 -2.36 0.00 0.00 39.78 37.54 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 -1.44 1.07 -0.09 -3.83 -0.14 -1.25 -5.10 119.74 108.95 1rd9 s LYS 91 Ca 0.31 -1.29 0.01 0.00 -1.36 0.00 0.00 55.97 53.64 1rd9 s LYS 91 Cb 0.17 -0.96 0.02 0.00 -1.68 0.00 0.00 37.83 35.38 1rd9 s LYS 91 CO 0.20 0.18 -0.11 0.99 -0.76 0.00 0.00 175.35 175.85 1rd9 s THR 92 N -2.22 1.18 0.93 2.17 2.01 -1.26 -2.80 115.64 115.65 1rd9 s THR 92 Ca 0.11 -0.45 -0.11 0.00 0.31 0.00 0.00 61.69 61.55 1rd9 s THR 92 Cb -0.04 -1.12 0.12 0.00 0.01 0.00 0.00 72.50 71.47 1rd9 s THR 92 CO 0.04 0.38 0.95 -2.65 -0.69 0.00 0.00 174.62 172.64 1rd9 n PRO 93 N 4.32 -0.45 -1.69 4.92 -0.02 -1.26 -5.05 135.00 135.76 1rd9 n PRO 93 Ca -0.18 -0.07 -0.40 0.00 -2.02 0.00 0.00 63.50 60.83 1rd9 n PRO 93 Cb 0.51 -2.24 0.03 0.00 -0.02 0.00 0.00 33.50 31.78 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 -4.10 1.88 -3.76 6.00 8.25 -1.12 -4.46 115.22 117.91 1rd9 n HIS 94 Ca 0.10 0.47 -0.36 0.00 -0.26 0.00 0.00 57.72 57.68 1rd9 n HIS 94 Cb 0.52 -2.32 -0.09 0.00 1.12 0.00 0.00 29.99 29.22 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 -1.29 3.58 0.07 -1.41 0.00 -0.77 -1.31 121.76 120.63 1rd9 s ALA 95 Ca 0.67 -0.80 -0.31 0.00 0.00 0.00 0.00 51.96 51.53 1rd9 s ALA 95 Cb -0.47 -2.18 -0.07 0.00 0.00 0.00 0.00 23.12 20.41 1rd9 s ALA 95 CO 0.53 0.00 1.34 0.42 0.00 0.00 0.00 175.76 178.06 1rd9 s ILE 96 N 0.68 3.61 -0.18 0.00 1.01 0.48 -0.38 121.20 126.41 1rd9 s ILE 96 Ca 0.07 1.12 0.11 0.00 0.00 0.00 0.00 60.65 61.94 1rd9 s ILE 96 Cb -0.12 -3.72 -0.18 0.00 0.01 0.00 0.00 42.46 38.45 1rd9 s ILE 96 CO 0.01 0.06 -0.02 0.00 0.00 0.00 0.00 174.94 174.99 1rd9 n ALA 97 N 4.38 1.57 -3.46 9.38 0.00 0.11 -4.84 120.51 127.65 1rd9 n ALA 97 Ca 0.11 -1.05 -0.13 0.00 0.00 0.00 0.00 53.44 52.38 1rd9 n ALA 97 Cb 0.44 -0.07 -0.03 0.00 0.00 0.00 0.00 19.45 19.79 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 -2.41 -1.67 0.01 0.00 0.00 -0.89 -4.98 121.76 111.81 1rd9 s ALA 98 Ca -0.15 0.78 0.02 0.00 0.00 0.00 0.00 51.96 52.61 1rd9 s ALA 98 Cb 0.06 0.58 -0.01 0.00 0.00 0.00 0.00 23.12 23.75 1rd9 s ALA 98 CO 0.62 -0.65 -0.08 -1.50 0.00 0.00 0.00 175.76 174.16 1rd9 s ILE 99 N -2.98 0.58 -0.04 0.00 2.07 -1.26 -0.92 121.20 118.65 1rd9 s ILE 99 Ca -0.02 -0.52 0.06 0.00 -1.41 0.00 0.00 60.65 58.76 1rd9 s ILE 99 Cb -0.01 -0.53 -0.01 0.00 0.13 0.00 0.00 42.46 42.04 1rd9 s ILE 99 CO -0.06 0.02 -0.22 -0.94 -1.91 0.00 0.00 174.94 171.83 1rd9 s SER 100 N -0.55 2.63 -0.10 4.50 1.04 -0.20 -5.01 113.70 116.02 1rd9 s SER 100 Ca -0.00 -0.43 0.03 0.00 0.48 0.00 0.00 55.95 56.04 1rd9 s SER 100 Cb -0.05 -0.59 -0.01 0.00 0.10 0.00 0.00 66.02 65.47 1rd9 s SER 100 CO 0.00 0.22 -0.21 -0.04 0.98 0.00 0.00 173.24 174.20 1rd9 s MET 101 N -0.21 3.00 0.02 4.02 -1.94 -1.26 -0.53 119.30 122.40 1rd9 s MET 101 Ca 0.00 -0.82 -0.19 0.00 -1.71 0.00 0.00 55.69 52.97 1rd9 s MET 101 Cb -0.11 -2.37 0.04 0.00 2.01 0.00 0.00 34.83 34.40 1rd9 s MET 101 CO 0.02 0.26 0.43 0.00 -0.01 0.00 0.00 175.02 175.72 1rd9 s ALA 102 N 0.16 -1.06 -2.21 3.03 0.00 -1.19 -4.86 121.76 115.63 1rd9 s ALA 102 Ca -0.11 0.44 0.30 0.00 0.00 0.00 0.00 51.96 52.59 1rd9 s ALA 102 Cb -0.16 0.26 1.54 0.00 0.00 0.00 0.00 23.12 24.76 1rd9 s ALA 102 CO 0.06 -0.41 2.02 0.27 0.00 0.00 0.00 175.76 177.71