#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rd9 s PRO 2 N 0.00 4.05 -0.00 -2.82 0.04 -1.26 -4.95 135.00 130.06 1rd9 s PRO 2 Ca 0.00 1.41 0.21 0.00 0.04 0.00 0.00 61.00 62.66 1rd9 s PRO 2 Cb 0.00 -2.34 -0.19 0.00 0.04 0.00 0.00 34.50 32.00 1rd9 s PRO 2 CO 0.00 -0.22 0.92 1.04 0.04 0.00 0.00 177.00 178.77 1rd9 n GLN 3 N -0.44 0.02 -3.79 4.56 1.13 -1.26 -4.96 117.38 112.62 1rd9 n GLN 3 Ca 0.07 -0.00 -0.08 0.00 -1.94 0.00 0.00 57.00 55.04 1rd9 n GLN 3 Cb 0.51 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 29.33 1rd9 n GLN 3 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1rd9 s ASN 4 N -3.04 -0.28 0.40 1.08 2.20 -1.26 -5.06 114.94 108.98 1rd9 s ASN 4 Ca 0.08 -0.54 0.10 0.00 -0.94 0.00 0.00 52.86 51.56 1rd9 s ASN 4 Cb 0.16 0.67 0.82 0.00 -2.00 0.00 0.00 41.25 40.89 1rd9 s ASN 4 CO 0.86 -1.22 1.93 -0.29 -2.94 0.00 0.00 177.10 175.45 1rd9 h ILE 5 N 2.07 1.17 -0.22 0.54 2.10 -1.96 -1.95 117.51 119.25 1rd9 h ILE 5 Ca -0.24 -0.73 -0.06 0.00 1.08 0.00 0.00 64.86 64.92 1rd9 h ILE 5 Cb 1.26 1.19 -0.01 0.00 -1.09 0.00 0.00 36.82 38.17 1rd9 h ILE 5 CO 0.29 0.23 -0.08 0.74 -1.08 0.00 0.00 178.15 178.24 1rd9 h THR 6 N 0.22 1.30 -0.38 2.19 2.02 -1.99 0.41 112.91 116.68 1rd9 h THR 6 Ca 0.05 -1.12 -0.12 0.00 0.77 0.00 0.00 66.41 65.98 1rd9 h THR 6 Cb 0.34 1.57 -0.01 0.00 -1.74 0.00 0.00 68.15 68.31 1rd9 h THR 6 CO 0.02 0.34 -0.25 0.44 0.37 0.00 0.00 175.52 176.44 1rd9 h ASP 7 N 0.17 0.79 -0.26 4.18 3.32 -1.95 -2.13 116.42 120.54 1rd9 h ASP 7 Ca 0.05 -0.30 0.00 0.00 0.02 0.00 0.00 57.03 56.81 1rd9 h ASP 7 Cb 0.56 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 1rd9 h ASP 7 CO 0.03 1.01 0.17 0.25 -1.72 0.00 0.00 179.24 178.97 1rd9 h LEU 8 N 0.67 0.30 -1.25 1.55 6.46 -1.23 -2.76 115.31 119.04 1rd9 h LEU 8 Ca 0.09 -0.02 0.01 0.00 -0.12 0.00 0.00 57.88 57.84 1rd9 h LEU 8 Cb 0.77 -0.08 -0.04 0.00 -0.73 0.00 0.00 40.66 40.59 1rd9 h LEU 8 CO 0.06 0.23 0.51 0.00 -0.62 0.00 0.00 178.44 178.62 1rd9 n ALA 10 N -2.42 1.50 0.76 0.00 0.00 -0.83 -2.45 120.51 117.08 1rd9 n ALA 10 Ca 0.08 0.08 0.11 0.00 0.00 0.00 0.00 53.44 53.72 1rd9 n ALA 10 Cb 0.03 -1.33 0.48 0.00 0.00 0.00 0.00 19.45 18.63 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 -2.09 0.02 -4.51 0.00 1.02 -0.70 -4.83 120.64 109.55 1rd9 n GLU 11 Ca 0.01 0.13 -0.30 0.00 -0.02 0.00 0.00 57.16 56.98 1rd9 n GLU 11 Cb 0.17 -1.53 -0.12 0.00 -0.02 0.00 0.00 31.44 29.94 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 -3.02 2.56 0.51 -0.32 1.51 -1.02 -5.13 117.35 112.44 1rd9 s TYR 12 Ca 0.11 -0.26 -0.18 0.00 -1.01 0.00 0.00 57.07 55.73 1rd9 s TYR 12 Cb 0.15 -1.42 -0.07 0.00 -0.11 0.00 0.00 41.96 40.50 1rd9 s TYR 12 CO 0.42 0.31 1.02 -1.01 -1.11 0.00 0.00 175.55 175.18 1rd9 s HIS 13 N -1.01 3.16 -1.29 2.71 3.76 -1.26 -4.21 115.29 117.15 1rd9 s HIS 13 Ca 0.16 1.54 -0.03 0.00 -0.15 0.00 0.00 55.06 56.58 1rd9 s HIS 13 Cb -0.11 -2.95 0.00 0.00 1.11 0.00 0.00 32.58 30.64 1rd9 s HIS 13 CO 0.07 -0.68 0.40 0.09 -0.85 0.00 0.00 174.74 173.77 1rd9 n ASN 14 N -1.35 -5.19 -4.49 1.40 5.03 -1.26 -4.98 115.26 104.42 1rd9 n ASN 14 Ca 0.08 -0.19 -0.24 0.00 0.87 0.00 0.00 54.58 55.10 1rd9 n ASN 14 Cb 0.53 -4.08 -0.10 0.00 -1.02 0.00 0.00 39.78 35.11 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 -3.01 2.07 0.10 3.41 -4.23 -1.26 -1.34 115.64 111.38 1rd9 s THR 15 Ca 0.20 -2.21 -0.16 0.00 -1.18 0.00 0.00 61.69 58.33 1rd9 s THR 15 Cb -0.09 -2.50 0.03 0.00 1.34 0.00 0.00 72.50 71.29 1rd9 s THR 15 CO 0.24 -0.28 0.40 0.00 -0.54 0.00 0.00 174.62 174.44 1rd9 s GLN 16 N -3.63 1.02 -0.06 3.99 -2.07 -0.28 -4.83 119.66 113.79 1rd9 s GLN 16 Ca 0.31 -0.63 -0.17 0.00 -1.82 0.00 0.00 55.36 53.05 1rd9 s GLN 16 Cb 0.01 0.45 -0.05 0.00 -1.09 0.00 0.00 33.01 32.34 1rd9 s GLN 16 CO 0.14 -0.39 0.45 0.42 -1.32 0.00 0.00 175.29 174.60 1rd9 s ILE 17 N -3.46 5.10 -0.15 3.63 -1.09 -1.26 -1.66 121.20 122.30 1rd9 s ILE 17 Ca 0.01 0.91 -0.03 0.00 -2.23 0.00 0.00 60.65 59.31 1rd9 s ILE 17 Cb 0.01 -3.78 -0.03 0.00 -1.58 0.00 0.00 42.46 37.09 1rd9 s ILE 17 CO -0.10 0.44 -0.05 -1.00 -1.23 0.00 0.00 174.94 173.00 1rd9 s HIS 18 N -0.12 2.99 -0.32 3.97 3.76 -0.16 -5.00 115.29 120.41 1rd9 s HIS 18 Ca 0.25 -0.36 -0.11 0.00 -0.15 0.00 0.00 55.06 54.69 1rd9 s HIS 18 Cb -0.16 -1.95 -0.01 0.00 1.11 0.00 0.00 32.58 31.57 1rd9 s HIS 18 CO 0.12 -0.08 0.18 0.99 -0.85 0.00 0.00 174.74 175.10 1rd9 s THR 19 N 0.41 4.81 -0.22 1.30 2.01 -1.26 -1.38 115.64 121.31 1rd9 s THR 19 Ca -0.05 -0.39 -0.04 0.00 0.31 0.00 0.00 61.69 61.52 1rd9 s THR 19 Cb -0.14 -3.48 -0.12 0.00 0.01 0.00 0.00 72.50 68.77 1rd9 s THR 19 CO 0.03 0.02 -0.24 0.18 -0.69 0.00 0.00 174.62 173.93 1rd9 n LEU 20 N 5.02 2.34 -4.21 4.42 7.99 -0.18 -5.02 117.00 127.36 1rd9 n LEU 20 Ca -0.13 0.07 -0.31 0.00 -0.01 0.00 0.00 56.01 55.63 1rd9 n LEU 20 Cb 0.49 -0.71 -0.07 0.00 -0.11 0.00 0.00 43.42 43.02 1rd9 n LEU 20 CO 0.35 0.68 -0.40 0.59 -1.51 0.00 0.00 177.39 177.10 1rd9 n ASN 21 N -3.54 0.28 -3.56 -1.43 3.02 -0.10 -4.94 115.26 104.99 1rd9 n ASN 21 Ca -0.41 -1.21 -0.12 0.00 -0.03 0.00 0.00 54.58 52.81 1rd9 n ASN 21 Cb 0.86 -1.98 -0.04 0.00 -0.61 0.00 0.00 39.78 38.01 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 -0.39 0.70 6.41 2.15 -0.78 -4.89 116.67 115.54 1rd9 s ASP 22 Ca 0.03 -0.04 -0.11 0.00 0.43 0.00 0.00 52.55 52.87 1rd9 s ASP 22 Cb -0.02 0.51 0.01 0.00 -0.30 0.00 0.00 42.92 43.12 1rd9 s ASP 22 CO 0.97 -0.82 1.07 -1.59 -0.17 0.00 0.00 175.17 174.63 1rd9 s LYS 23 N -3.19 2.88 0.06 4.34 -2.85 -1.26 -0.59 119.74 119.12 1rd9 s LYS 23 Ca -0.01 0.80 -0.31 0.00 -1.00 0.00 0.00 55.97 55.45 1rd9 s LYS 23 Cb 0.00 -2.00 -0.06 0.00 -2.06 0.00 0.00 37.83 33.71 1rd9 s LYS 23 CO -0.08 -1.10 1.32 0.42 0.10 0.00 0.00 175.35 176.01 1rd9 s ILE 24 N -3.13 3.70 0.04 3.79 1.01 -1.26 -4.70 121.20 120.66 1rd9 s ILE 24 Ca 0.58 1.19 -0.16 0.00 0.00 0.00 0.00 60.65 62.25 1rd9 s ILE 24 Cb -0.13 -3.76 -0.28 0.00 0.01 0.00 0.00 42.46 38.30 1rd9 s ILE 24 CO 0.54 0.06 1.09 0.15 0.00 0.00 0.00 174.94 176.79 1rd9 h PHE 25 N 7.09 0.91 -3.36 3.97 3.57 -1.15 -3.48 116.94 124.49 1rd9 h PHE 25 Ca -0.40 -0.56 -0.14 0.00 3.53 0.00 0.00 57.97 60.40 1rd9 h PHE 25 Cb 1.20 -0.08 -0.21 0.00 2.79 0.00 0.00 35.95 39.65 1rd9 h PHE 25 CO 0.69 1.40 -0.43 -1.54 -2.23 0.00 0.00 178.31 176.20 1rd9 s SER 26 N -7.25 -0.05 -0.10 0.41 1.04 -1.14 -4.98 113.70 101.63 1rd9 s SER 26 Ca -0.11 -0.08 0.01 0.00 0.48 0.00 0.00 55.95 56.24 1rd9 s SER 26 Cb 0.05 0.25 0.02 0.00 0.10 0.00 0.00 66.02 66.44 1rd9 s SER 26 CO 0.90 -0.37 -0.10 -0.47 0.98 0.00 0.00 173.24 174.18 1rd9 s TYR 27 N -1.27 1.55 -0.04 5.02 5.04 -1.26 -1.80 117.35 124.59 1rd9 s TYR 27 Ca -0.13 -0.73 0.04 0.00 -2.44 0.00 0.00 57.07 53.81 1rd9 s TYR 27 Cb -0.07 -1.22 -0.00 0.00 0.35 0.00 0.00 41.96 41.02 1rd9 s TYR 27 CO 0.02 -0.46 -0.17 0.99 -1.34 0.00 0.00 175.55 174.60 1rd9 s THR 28 N 1.35 1.38 0.03 4.34 2.01 0.12 -5.00 115.64 119.87 1rd9 s THR 28 Ca -0.01 -0.70 -0.00 0.00 0.31 0.00 0.00 61.69 61.29 1rd9 s THR 28 Cb -0.14 -1.18 -0.02 0.00 0.01 0.00 0.00 72.50 71.17 1rd9 s THR 28 CO -0.05 0.40 -0.03 -1.83 -0.69 0.00 0.00 174.62 172.42 1rd9 s GLU 29 N -0.04 0.38 0.01 4.92 -1.05 -1.26 -0.69 118.70 120.97 1rd9 s GLU 29 Ca -0.02 -0.75 0.03 0.00 -0.15 0.00 0.00 54.97 54.08 1rd9 s GLU 29 Cb -0.10 0.13 -0.01 0.00 -0.44 0.00 0.00 34.13 33.70 1rd9 s GLU 29 CO 0.01 -0.06 -0.11 0.45 0.95 0.00 0.00 175.26 176.50 1rd9 s SER 30 N -1.80 1.25 0.00 0.83 0.15 -0.76 -5.01 113.70 108.36 1rd9 s SER 30 Ca -0.11 -0.27 0.11 0.00 0.70 0.00 0.00 55.95 56.39 1rd9 s SER 30 Cb -0.06 -0.11 0.29 0.00 -1.71 0.00 0.00 66.02 64.43 1rd9 s SER 30 CO -0.03 0.08 1.21 0.00 1.20 0.00 0.00 173.24 175.70 1rd9 n LEU 31 N 2.54 2.83 -4.76 3.45 -0.00 -1.26 -3.20 117.00 116.60 1rd9 n LEU 31 Ca -0.15 -1.85 -0.38 0.00 -0.00 0.00 0.00 56.01 53.62 1rd9 n LEU 31 Cb 0.56 -0.21 0.00 0.00 -0.00 0.00 0.00 43.42 43.77 1rd9 n LEU 31 CO 0.24 0.69 0.90 0.00 -0.00 0.00 0.00 177.39 179.22 1rd9 s ALA 32 N -1.00 3.03 0.20 1.47 0.00 -1.26 -4.83 121.76 119.38 1rd9 s ALA 32 Ca 0.23 1.10 -0.32 0.00 0.00 0.00 0.00 51.96 52.98 1rd9 s ALA 32 Cb 0.12 -3.45 -0.11 0.00 0.00 0.00 0.00 23.12 19.68 1rd9 s ALA 32 CO 0.16 -0.85 1.66 0.20 0.00 0.00 0.00 175.76 176.93 1rd9 s GLY 33 N -1.09 1.41 0.00 0.00 0.00 -1.26 -1.11 107.32 105.27 1rd9 s GLY 33 Ca 0.63 1.52 0.00 0.00 0.00 0.00 0.00 44.72 46.87 1rd9 s GLY 33 CO 0.42 2.76 0.00 0.28 0.00 0.00 0.00 173.10 176.56 1rd9 n LYS 34 N 3.80 -0.65 -2.60 2.90 5.02 -1.26 -4.83 118.16 120.54 1rd9 n LYS 34 Ca 0.14 0.16 -0.09 0.00 -2.02 0.00 0.00 58.31 56.51 1rd9 n LYS 34 Cb 0.36 -3.77 0.04 0.00 -0.02 0.00 0.00 35.03 31.64 1rd9 n LYS 34 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1rd9 n ARG 35 N -1.40 2.18 -2.67 1.97 5.12 -0.27 -4.98 116.66 116.61 1rd9 n ARG 35 Ca 0.00 -3.69 -0.42 0.00 -1.93 0.00 0.00 57.85 51.81 1rd9 n ARG 35 Cb 0.16 -1.74 -0.02 0.00 -1.16 0.00 0.00 32.46 29.70 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 -3.62 3.72 0.22 5.56 8.01 -1.16 -4.31 118.70 127.11 1rd9 s GLU 36 Ca 0.34 -1.55 -0.11 0.00 0.01 0.00 0.00 54.97 53.67 1rd9 s GLU 36 Cb 0.37 -5.29 -0.01 0.00 -4.31 0.00 0.00 34.13 24.90 1rd9 s GLU 36 CO -0.02 -2.10 0.39 0.00 0.01 0.00 0.00 175.26 173.54 1rd9 s MET 37 N 4.10 1.41 0.12 1.61 0.23 -1.19 -4.18 119.30 121.39 1rd9 s MET 37 Ca 0.45 -1.27 0.08 0.00 -1.03 0.00 0.00 55.69 53.92 1rd9 s MET 37 Cb -0.00 0.43 -0.04 0.00 -1.53 0.00 0.00 34.83 33.69 1rd9 s MET 37 CO -0.05 -0.56 -0.20 0.00 -2.03 0.00 0.00 175.02 172.18 1rd9 s ALA 38 N -4.02 1.83 -0.05 3.16 0.00 -1.18 -1.84 121.76 119.66 1rd9 s ALA 38 Ca 0.23 -1.30 0.02 0.00 0.00 0.00 0.00 51.96 50.90 1rd9 s ALA 38 Cb 0.01 -0.22 0.01 0.00 0.00 0.00 0.00 23.12 22.93 1rd9 s ALA 38 CO 0.07 0.31 -0.08 0.42 0.00 0.00 0.00 175.76 176.48 1rd9 s ILE 39 N -1.44 0.80 0.19 0.00 1.01 0.13 -1.12 121.20 120.78 1rd9 s ILE 39 Ca 0.09 -0.31 0.11 0.00 0.00 0.00 0.00 60.65 60.54 1rd9 s ILE 39 Cb -0.09 -0.76 -0.04 0.00 0.01 0.00 0.00 42.46 41.58 1rd9 s ILE 39 CO 0.05 0.27 -0.24 0.27 0.00 0.00 0.00 174.94 175.29 1rd9 s ILE 40 N 0.63 2.33 0.16 2.92 -4.36 -0.27 -0.70 121.20 121.90 1rd9 s ILE 40 Ca -0.11 -2.02 0.05 0.00 -0.26 0.00 0.00 60.65 58.31 1rd9 s ILE 40 Cb -0.13 -2.11 -0.05 0.00 1.25 0.00 0.00 42.46 41.42 1rd9 s ILE 40 CO 0.02 -0.12 -0.09 0.42 0.24 0.00 0.00 174.94 175.40 1rd9 s THR 41 N -1.68 1.19 0.28 8.37 -4.23 -0.75 -1.04 115.64 117.78 1rd9 s THR 41 Ca 0.20 -2.07 0.12 0.00 -1.18 0.00 0.00 61.69 58.76 1rd9 s THR 41 Cb -0.08 -1.91 -0.05 0.00 1.34 0.00 0.00 72.50 71.80 1rd9 s THR 41 CO 0.10 -0.70 -0.18 -0.36 -0.54 0.00 0.00 174.62 172.94 1rd9 s PHE 42 N -3.32 2.33 0.58 3.99 0.40 -0.03 -0.55 117.98 121.38 1rd9 s PHE 42 Ca 0.18 -0.33 0.27 0.00 -0.60 0.00 0.00 56.93 56.46 1rd9 s PHE 42 Cb 0.03 -1.03 1.71 0.00 0.51 0.00 0.00 43.02 44.24 1rd9 s PHE 42 CO 0.02 0.70 2.22 -0.22 0.70 0.00 0.00 175.22 178.64 1rd9 h LYS 43 N 2.22 0.00 0.00 0.44 3.64 -1.88 -0.63 116.57 120.36 1rd9 h LYS 43 Ca -0.40 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 1rd9 h LYS 43 Cb 1.26 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 1rd9 h LYS 43 CO 0.60 0.00 0.00 0.27 -2.27 0.00 0.00 179.45 178.05 1rd9 n ASN 44 N -3.95 0.00 0.00 4.20 6.94 -1.26 -4.88 115.26 116.31 1rd9 n ASN 44 Ca -0.02 -1.15 0.00 0.00 -0.02 0.00 0.00 54.58 53.39 1rd9 n ASN 44 Cb 0.12 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.54 1rd9 n ASN 44 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1rd9 n GLY 45 N 0.77 2.02 3.75 4.83 0.00 -0.24 -5.06 105.19 111.27 1rd9 n GLY 45 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.52 3.60 -0.04 4.61 0.00 -1.25 -4.77 121.76 121.40 1rd9 s ALA 46 Ca 0.00 1.34 0.04 0.00 0.00 0.00 0.00 51.96 53.34 1rd9 s ALA 46 Cb 0.00 -3.55 -0.00 0.00 0.00 0.00 0.00 23.12 19.57 1rd9 s ALA 46 CO 0.00 -0.75 -0.15 0.99 0.00 0.00 0.00 175.76 175.85 1rd9 s THR 47 N -0.31 1.24 0.07 0.00 2.01 -1.26 -0.86 115.64 116.54 1rd9 s THR 47 Ca 0.57 -0.61 0.03 0.00 0.31 0.00 0.00 61.69 61.98 1rd9 s THR 47 Cb -0.42 -1.08 -0.03 0.00 0.01 0.00 0.00 72.50 70.98 1rd9 s THR 47 CO 0.47 0.37 -0.09 -0.36 -0.69 0.00 0.00 174.62 174.31 1rd9 s PHE 48 N 0.10 0.86 0.17 4.92 0.08 -0.21 -4.15 117.98 119.75 1rd9 s PHE 48 Ca -0.04 -0.61 0.11 0.00 0.12 0.00 0.00 56.93 56.51 1rd9 s PHE 48 Cb -0.11 -0.50 -0.04 0.00 -0.57 0.00 0.00 43.02 41.80 1rd9 s PHE 48 CO 0.02 -0.06 -0.24 1.14 -0.10 0.00 0.00 175.22 175.98 1rd9 s GLN 49 N -2.33 1.52 -0.31 0.44 -2.07 -0.64 -1.12 119.66 115.16 1rd9 s GLN 49 Ca -0.01 -1.44 -0.13 0.00 -1.82 0.00 0.00 55.36 51.96 1rd9 s GLN 49 Cb -0.05 -1.89 -0.03 0.00 -1.09 0.00 0.00 33.01 29.94 1rd9 s GLN 49 CO -0.01 0.42 0.28 0.08 -1.32 0.00 0.00 175.29 174.75 1rd9 s VAL 50 N -1.45 5.24 0.61 3.63 1.01 -0.28 -0.70 120.40 128.47 1rd9 s VAL 50 Ca 0.19 0.14 -0.18 0.00 0.00 0.00 0.00 61.98 62.13 1rd9 s VAL 50 Cb -0.09 -3.67 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 1rd9 s VAL 50 CO 0.09 0.10 1.18 -1.61 0.00 0.00 0.00 175.10 174.86 1rd9 s GLU 51 N 1.88 2.93 0.24 2.72 2.02 -1.26 -3.10 118.70 124.13 1rd9 s GLU 51 Ca 0.10 1.73 -0.31 0.00 0.02 0.00 0.00 54.97 56.50 1rd9 s GLU 51 Cb -0.16 -1.93 -0.12 0.00 0.10 0.00 0.00 34.13 32.01 1rd9 s GLU 51 CO 0.11 -1.22 1.61 0.28 0.02 0.00 0.00 175.26 176.06 1rd9 n VAL 52 N -1.76 0.54 -1.72 2.63 0.31 -1.26 -4.89 118.33 112.18 1rd9 n VAL 52 Ca 0.13 -0.13 -0.43 0.00 -0.01 0.00 0.00 64.34 63.90 1rd9 n VAL 52 Cb 0.50 -1.85 -0.02 0.00 -0.91 0.00 0.00 33.84 31.56 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 2.91 2.57 -1.40 5.55 -0.02 -1.26 -4.95 135.00 138.39 1rd9 n PRO 53 Ca 0.13 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.52 1rd9 n PRO 53 Cb 0.34 -2.70 0.00 0.00 -0.02 0.00 0.00 33.50 31.12 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 2.79 3.29 0.20 -1.23 0.00 -1.26 -5.03 105.19 103.95 1rd9 n GLY 54 Ca 0.12 -1.36 0.15 0.00 0.00 0.00 0.00 46.02 44.93 1rd9 n GLY 54 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1rd9 h SER 55 N 0.00 0.00 0.99 1.61 4.64 -2.02 -1.78 113.55 116.98 1rd9 h SER 55 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1rd9 h SER 55 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1rd9 h SER 55 CO 0.00 0.00 0.00 0.06 -0.87 0.00 0.00 176.83 176.02 1rd9 h GLN 56 N 0.00 0.00 -5.85 4.77 -0.00 -1.96 -3.44 115.11 108.62 1rd9 h GLN 56 Ca 0.00 0.00 -0.64 0.00 -0.00 0.00 0.00 58.65 58.01 1rd9 h GLN 56 Cb 0.33 0.00 -0.06 0.00 -0.00 0.00 0.00 27.48 27.75 1rd9 h GLN 56 CO 0.00 0.00 -0.35 -1.01 -0.00 0.00 0.00 178.83 177.47 1rd9 s HIS 57 N -3.38 3.64 0.52 0.06 3.76 -0.67 -5.10 115.29 114.12 1rd9 s HIS 57 Ca 0.04 0.71 -0.05 0.00 -0.15 0.00 0.00 55.06 55.62 1rd9 s HIS 57 Cb 0.09 -2.08 -0.01 0.00 1.11 0.00 0.00 32.58 31.69 1rd9 s HIS 57 CO 0.48 0.67 0.82 0.96 -0.85 0.00 0.00 174.74 176.82 1rd9 s ILE 58 N -1.13 4.26 0.28 0.60 -4.36 -1.26 -4.90 121.20 114.69 1rd9 s ILE 58 Ca 0.22 0.02 -0.03 0.00 -0.26 0.00 0.00 60.65 60.60 1rd9 s ILE 58 Cb -0.14 -3.64 0.23 0.00 1.25 0.00 0.00 42.46 40.16 1rd9 s ILE 58 CO 0.11 -0.62 1.91 -0.78 0.24 0.00 0.00 174.94 175.80 1rd9 h ASP 59 N 0.08 0.97 -0.01 4.36 1.82 -1.99 -0.80 116.42 120.85 1rd9 h ASP 59 Ca -0.46 -0.07 0.00 0.00 -0.39 0.00 0.00 57.03 56.12 1rd9 h ASP 59 Cb 1.23 -0.25 -0.00 0.00 0.68 0.00 0.00 39.33 41.00 1rd9 h ASP 59 CO 0.61 0.76 0.02 0.77 -1.61 0.00 0.00 179.24 179.79 1rd9 h SER 60 N 1.11 0.00 1.48 2.28 4.64 -2.05 -1.42 113.55 119.59 1rd9 h SER 60 Ca 0.29 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.57 1rd9 h SER 60 Cb -0.01 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.07 1rd9 h SER 60 CO -0.05 0.00 -0.16 1.56 -0.87 0.00 0.00 176.83 177.31 1rd9 h GLN 61 N 0.00 0.00 -0.26 4.77 4.20 -1.52 -3.35 115.11 118.95 1rd9 h GLN 61 Ca 0.01 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.77 1rd9 h GLN 61 Cb 0.05 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.78 1rd9 h GLN 61 CO -0.00 0.16 -0.06 0.87 -0.67 0.00 0.00 178.83 179.12 1rd9 h LYS 62 N 0.00 -0.00 -0.35 1.46 1.57 -1.31 0.11 116.57 118.05 1rd9 h LYS 62 Ca -0.00 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 1rd9 h LYS 62 Cb 0.94 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.24 1rd9 h LYS 62 CO 0.02 -0.00 -0.09 0.87 -0.57 0.00 0.00 179.45 179.68 1rd9 h LYS 63 N -0.00 0.59 -0.29 3.15 1.57 -1.75 -2.45 116.57 117.38 1rd9 h LYS 63 Ca 0.12 -0.16 -0.11 0.00 -1.87 0.00 0.00 60.65 58.63 1rd9 h LYS 63 Cb 0.19 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 1rd9 h LYS 63 CO -0.26 0.67 -0.27 0.00 -0.57 0.00 0.00 179.45 179.02 1rd9 h ALA 64 N 1.37 1.00 -0.45 3.86 0.00 -1.55 -0.45 119.26 123.05 1rd9 h ALA 64 Ca 0.10 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 1rd9 h ALA 64 Cb 0.48 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1rd9 h ALA 64 CO 0.03 0.59 0.21 0.82 0.00 0.00 0.00 179.25 180.90 1rd9 h ILE 65 N 0.50 1.19 -0.64 0.00 2.04 -0.45 -0.04 117.51 120.11 1rd9 h ILE 65 Ca 0.07 -0.54 -0.02 0.00 1.00 0.00 0.00 64.86 65.37 1rd9 h ILE 65 Cb 0.72 0.72 -0.03 0.00 -0.74 0.00 0.00 36.82 37.49 1rd9 h ILE 65 CO 0.06 0.21 0.34 -0.33 0.00 0.00 0.00 178.15 178.42 1rd9 h GLU 66 N 0.58 0.90 -0.83 2.37 4.39 -1.23 -2.26 114.58 118.50 1rd9 h GLU 66 Ca 0.15 -0.11 -0.03 0.00 0.34 0.00 0.00 59.36 59.71 1rd9 h GLU 66 Cb 0.14 -0.17 -0.04 0.00 -0.10 0.00 0.00 28.75 28.57 1rd9 h GLU 66 CO -0.02 0.69 0.41 -0.09 -1.16 0.00 0.00 179.01 178.85 1rd9 h ARG 67 N 0.88 1.19 -0.48 2.33 2.43 -0.84 -2.16 114.38 117.72 1rd9 h ARG 67 Ca 0.22 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 1rd9 h ARG 67 Cb 0.06 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.37 1rd9 h ARG 67 CO -0.03 0.91 0.30 1.98 -1.51 0.00 0.00 179.97 181.62 1rd9 h MET 68 N 1.18 0.64 -0.59 0.20 4.05 -0.58 0.20 114.93 120.04 1rd9 h MET 68 Ca 0.29 -0.05 -0.03 0.00 -0.28 0.00 0.00 59.70 59.63 1rd9 h MET 68 Cb 0.10 -0.14 -0.03 0.00 -0.80 0.00 0.00 31.60 30.73 1rd9 h MET 68 CO -0.04 0.45 0.24 0.87 0.23 0.00 0.00 176.91 178.67 1rd9 h LYS 69 N 0.64 0.85 -0.44 0.39 1.57 -1.16 0.08 116.57 118.50 1rd9 h LYS 69 Ca 0.17 -0.13 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1rd9 h LYS 69 Cb -0.04 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.10 1rd9 h LYS 69 CO -0.03 0.69 0.27 -0.44 -0.57 0.00 0.00 179.45 179.37 1rd9 h ASP 70 N 0.84 0.52 -0.49 0.86 3.32 -0.67 -2.03 116.42 118.77 1rd9 h ASP 70 Ca 0.20 -0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.17 1rd9 h ASP 70 Cb 0.15 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 1rd9 h ASP 70 CO -0.02 0.41 0.16 0.74 -1.72 0.00 0.00 179.24 178.81 1rd9 h THR 71 N 0.59 1.22 -0.52 0.35 2.02 -0.36 -2.24 112.91 113.97 1rd9 h THR 71 Ca 0.16 -0.74 -0.06 0.00 0.77 0.00 0.00 66.41 66.54 1rd9 h THR 71 Cb -0.02 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 1rd9 h THR 71 CO -0.03 0.27 0.09 -0.07 0.37 0.00 0.00 175.52 176.15 1rd9 h LEU 72 N 0.65 0.82 0.09 2.58 3.38 -0.84 -0.17 115.31 121.81 1rd9 h LEU 72 Ca 0.16 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 57.88 1rd9 h LEU 72 Cb 0.26 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1rd9 h LEU 72 CO -0.01 0.87 -0.14 -0.09 0.09 0.00 0.00 178.44 179.16 1rd9 h ARG 73 N 0.74 -0.27 -0.15 1.13 2.43 -1.25 0.03 114.38 117.04 1rd9 h ARG 73 Ca 0.16 0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 59.22 1rd9 h ARG 73 Cb 0.39 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 1rd9 h ARG 73 CO 0.01 -0.18 -0.45 0.97 -1.51 0.00 0.00 179.97 178.81 1rd9 h ILE 74 N -0.28 1.32 -0.40 1.20 6.09 -1.32 -1.04 117.51 123.09 1rd9 h ILE 74 Ca 0.02 -1.63 0.00 0.00 -1.37 0.00 0.00 64.86 61.89 1rd9 h ILE 74 Cb 0.29 1.70 -0.02 0.00 0.47 0.00 0.00 36.82 39.26 1rd9 h ILE 74 CO -0.07 0.50 0.27 0.00 -3.07 0.00 0.00 178.15 175.77 1rd9 h ALA 75 N 1.23 0.51 0.01 0.18 0.00 -0.90 -0.74 119.26 119.54 1rd9 h ALA 75 Ca 0.02 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1rd9 h ALA 75 Cb 0.91 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1rd9 h ALA 75 CO 0.08 -0.04 -0.04 -0.92 0.00 0.00 0.00 179.25 178.33 1rd9 h TYR 76 N 0.54 -0.10 0.00 0.00 3.20 -0.65 -1.24 116.97 118.72 1rd9 h TYR 76 Ca 0.15 0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.95 1rd9 h TYR 76 Cb -0.06 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.24 1rd9 h TYR 76 CO -0.05 -0.07 -0.32 -0.07 -1.64 0.00 0.00 178.16 176.01 1rd9 h LEU 77 N -0.08 0.00 -0.74 2.82 3.38 -0.92 -2.36 115.31 117.41 1rd9 h LEU 77 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1rd9 h LEU 77 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1rd9 h LEU 77 CO -0.04 0.32 -0.24 0.35 0.09 0.00 0.00 178.44 178.93 1rd9 n THR 78 N -3.93 0.00 -2.92 0.22 -2.24 -0.31 -4.96 114.28 100.14 1rd9 n THR 78 Ca -0.02 -0.19 -0.22 0.00 -2.27 0.00 0.00 64.05 61.35 1rd9 n THR 78 Cb 0.39 0.62 0.03 0.00 -2.10 0.00 0.00 70.33 69.27 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 -0.29 -4.40 -2.15 -0.78 1.02 -0.56 -4.95 120.64 108.53 1rd9 n GLU 79 Ca 0.13 0.93 -0.41 0.00 -0.02 0.00 0.00 57.16 57.79 1rd9 n GLU 79 Cb 0.38 -5.77 -0.03 0.00 -0.02 0.00 0.00 31.44 26.01 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 -3.16 3.55 0.01 0.62 0.00 -0.66 -4.75 121.76 117.36 1rd9 s ALA 80 Ca 0.25 1.18 -0.30 0.00 0.00 0.00 0.00 51.96 53.09 1rd9 s ALA 80 Cb -0.11 -3.50 -0.06 0.00 0.00 0.00 0.00 23.12 19.45 1rd9 s ALA 80 CO 0.32 -0.60 1.42 0.21 0.00 0.00 0.00 175.76 177.11 1rd9 s LYS 81 N -0.39 4.28 -0.17 0.00 2.20 -1.26 -4.27 119.74 120.13 1rd9 s LYS 81 Ca 0.56 2.00 -0.22 0.00 -0.36 0.00 0.00 55.97 57.96 1rd9 s LYS 81 Cb -0.38 -3.56 -0.02 0.00 -1.51 0.00 0.00 37.83 32.35 1rd9 s LYS 81 CO 0.41 -0.58 0.68 0.08 -0.36 0.00 0.00 175.35 175.58 1rd9 s VAL 82 N 2.36 5.00 -0.02 4.02 1.01 0.24 -3.52 120.40 129.50 1rd9 s VAL 82 Ca 0.65 1.32 -0.00 0.00 0.00 0.00 0.00 61.98 63.95 1rd9 s VAL 82 Cb -0.32 -4.00 -0.00 0.00 0.00 0.00 0.00 36.38 32.05 1rd9 s VAL 82 CO 0.27 0.12 0.05 -0.08 0.00 0.00 0.00 175.10 175.46 1rd9 h GLU 83 N 7.32 -0.01 -5.17 2.72 4.81 -0.96 -0.04 114.58 123.24 1rd9 h GLU 83 Ca -0.33 0.00 -0.37 0.00 -0.13 0.00 0.00 59.36 58.54 1rd9 h GLU 83 Cb 1.15 0.00 -0.19 0.00 0.63 0.00 0.00 28.75 30.34 1rd9 h GLU 83 CO 0.79 -0.01 -0.75 0.15 -0.73 0.00 0.00 179.01 178.46 1rd9 s LYS 84 N -1.23 0.88 -0.06 1.92 1.02 -1.10 -1.01 119.74 120.16 1rd9 s LYS 84 Ca -0.00 -1.12 0.06 0.00 0.02 0.00 0.00 55.97 54.93 1rd9 s LYS 84 Cb 0.00 -0.70 -0.01 0.00 -0.52 0.00 0.00 37.83 36.60 1rd9 s LYS 84 CO 0.01 0.13 -0.25 -0.51 -0.92 0.00 0.00 175.35 173.81 1rd9 s LEU 85 N -2.24 2.07 -0.17 3.17 1.43 -0.48 -0.87 118.68 121.59 1rd9 s LEU 85 Ca 0.04 -0.51 -0.14 0.00 -1.03 0.00 0.00 54.13 52.49 1rd9 s LEU 85 Cb -0.05 -1.37 -0.05 0.00 0.03 0.00 0.00 46.19 44.75 1rd9 s LEU 85 CO 0.01 0.25 0.30 0.00 0.23 0.00 0.00 176.35 177.14 1rd9 s VAL 87 N 0.56 0.56 -0.21 0.00 -7.23 -0.66 -0.12 120.40 113.30 1rd9 s VAL 87 Ca 0.16 -1.36 -0.27 0.00 -1.81 0.00 0.00 61.98 58.71 1rd9 s VAL 87 Cb -0.13 -0.95 -0.00 0.00 0.56 0.00 0.00 36.38 35.86 1rd9 s VAL 87 CO 0.04 -0.55 0.93 0.26 -0.31 0.00 0.00 175.10 175.47 1rd9 s TRP 88 N -2.14 3.36 -0.35 2.82 0.51 0.38 -1.13 118.94 122.39 1rd9 s TRP 88 Ca -0.03 1.34 0.09 0.00 -2.12 0.00 0.00 56.10 55.37 1rd9 s TRP 88 Cb -0.05 -3.15 0.69 0.00 -0.81 0.00 0.00 33.47 30.15 1rd9 s TRP 88 CO -0.02 -0.39 1.72 0.27 -0.51 0.00 0.00 176.95 178.03 1rd9 n ASN 89 N 5.92 4.64 -1.60 2.95 0.23 -0.45 -1.91 115.26 125.04 1rd9 n ASN 89 Ca 0.08 -3.11 0.08 0.00 -0.53 0.00 0.00 54.58 51.10 1rd9 n ASN 89 Cb 0.47 -0.73 0.36 0.00 -2.08 0.00 0.00 39.78 37.81 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 -0.09 5.19 -4.09 0.53 6.94 -1.26 -4.94 115.26 117.55 1rd9 n ASN 90 Ca 0.38 -2.94 -0.09 0.00 -0.02 0.00 0.00 54.58 51.90 1rd9 n ASN 90 Cb 1.31 -0.64 -0.10 0.00 -2.36 0.00 0.00 39.78 37.98 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 -2.75 0.61 -0.08 -3.83 -0.14 -1.25 -5.09 119.74 107.19 1rd9 s LYS 91 Ca 0.51 -1.07 -0.00 0.00 -1.36 0.00 0.00 55.97 54.05 1rd9 s LYS 91 Cb 0.39 -0.01 0.02 0.00 -1.68 0.00 0.00 37.83 36.56 1rd9 s LYS 91 CO 0.14 -0.05 -0.06 0.99 -0.76 0.00 0.00 175.35 175.62 1rd9 s THR 92 N -2.97 0.79 0.92 2.17 2.01 -1.26 -2.88 115.64 114.42 1rd9 s THR 92 Ca 0.01 -0.18 -0.10 0.00 0.31 0.00 0.00 61.69 61.73 1rd9 s THR 92 Cb 0.01 -0.83 0.13 0.00 0.01 0.00 0.00 72.50 71.82 1rd9 s THR 92 CO -0.05 0.32 1.08 -2.65 -0.69 0.00 0.00 174.62 172.62 1rd9 n PRO 93 N 4.70 -0.41 -1.60 4.92 -0.02 -1.26 -5.05 135.00 136.27 1rd9 n PRO 93 Ca -0.14 -0.05 -0.45 0.00 -2.02 0.00 0.00 63.50 60.83 1rd9 n PRO 93 Cb 0.50 -2.33 -0.02 0.00 -0.02 0.00 0.00 33.50 31.64 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 -4.13 1.43 -3.64 6.00 8.25 -1.14 -4.51 115.22 117.47 1rd9 n HIS 94 Ca 0.12 0.67 -0.36 0.00 -0.26 0.00 0.00 57.72 57.88 1rd9 n HIS 94 Cb 0.52 -2.28 -0.09 0.00 1.12 0.00 0.00 29.99 29.26 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 -0.83 3.62 0.03 -1.41 0.00 -0.80 -1.63 121.76 120.74 1rd9 s ALA 95 Ca 0.62 -0.78 -0.30 0.00 0.00 0.00 0.00 51.96 51.49 1rd9 s ALA 95 Cb -0.71 -2.32 -0.06 0.00 0.00 0.00 0.00 23.12 20.03 1rd9 s ALA 95 CO 0.58 -0.10 1.44 0.42 0.00 0.00 0.00 175.76 178.10 1rd9 s ILE 96 N 0.88 3.53 -0.16 0.00 1.01 0.13 -0.47 121.20 126.11 1rd9 s ILE 96 Ca 0.09 0.97 0.11 0.00 0.00 0.00 0.00 60.65 61.82 1rd9 s ILE 96 Cb -0.13 -3.62 -0.18 0.00 0.01 0.00 0.00 42.46 38.54 1rd9 s ILE 96 CO 0.03 0.01 -0.00 0.00 0.00 0.00 0.00 174.94 174.98 1rd9 n ALA 97 N 5.13 1.60 -3.37 9.38 0.00 0.83 -4.82 120.51 129.26 1rd9 n ALA 97 Ca 0.13 -0.98 -0.12 0.00 0.00 0.00 0.00 53.44 52.47 1rd9 n ALA 97 Cb 0.43 -0.05 -0.02 0.00 0.00 0.00 0.00 19.45 19.80 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 -2.38 -1.50 0.00 0.00 0.00 -0.82 -4.98 121.76 112.08 1rd9 s ALA 98 Ca -0.12 0.40 0.01 0.00 0.00 0.00 0.00 51.96 52.25 1rd9 s ALA 98 Cb 0.05 0.86 -0.00 0.00 0.00 0.00 0.00 23.12 24.03 1rd9 s ALA 98 CO 0.59 -0.76 -0.03 -1.50 0.00 0.00 0.00 175.76 174.07 1rd9 s ILE 99 N -3.76 0.20 -0.01 0.00 2.07 -1.26 -1.07 121.20 117.36 1rd9 s ILE 99 Ca 0.01 -0.24 0.07 0.00 -1.41 0.00 0.00 60.65 59.09 1rd9 s ILE 99 Cb -0.01 -0.20 -0.02 0.00 0.13 0.00 0.00 42.46 42.37 1rd9 s ILE 99 CO -0.13 -0.03 -0.23 -0.94 -1.91 0.00 0.00 174.94 171.71 1rd9 s SER 100 N -0.29 2.66 -0.06 4.50 1.04 -0.05 -5.00 113.70 116.50 1rd9 s SER 100 Ca -0.01 -0.43 0.05 0.00 0.48 0.00 0.00 55.95 56.03 1rd9 s SER 100 Cb -0.02 -0.28 -0.00 0.00 0.10 0.00 0.00 66.02 65.81 1rd9 s SER 100 CO -0.00 0.26 -0.21 -0.04 0.98 0.00 0.00 173.24 174.23 1rd9 s MET 101 N -0.65 2.28 -0.10 4.02 -1.94 -1.26 -0.38 119.30 121.27 1rd9 s MET 101 Ca 0.09 -0.75 -0.21 0.00 -1.71 0.00 0.00 55.69 53.10 1rd9 s MET 101 Cb -0.09 -1.90 0.05 0.00 2.01 0.00 0.00 34.83 34.90 1rd9 s MET 101 CO -0.00 0.27 0.52 0.00 -0.01 0.00 0.00 175.02 175.79 1rd9 s ALA 102 N 0.07 -1.32 -1.92 3.03 0.00 -1.23 -4.86 121.76 115.53 1rd9 s ALA 102 Ca -0.07 1.13 0.00 0.00 0.00 0.00 0.00 51.96 53.02 1rd9 s ALA 102 Cb -0.14 -0.35 0.00 0.00 0.00 0.00 0.00 23.12 22.63 1rd9 s ALA 102 CO 0.04 -0.29 0.48 0.27 0.00 0.00 0.00 175.76 176.26