#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xb9 s GLN 16 N 0.00 1.26 -0.14 -1.46 -0.21 0.81 -4.97 119.66 114.95 1xb9 s GLN 16 Ca 0.00 -1.09 -0.01 0.00 0.02 0.00 0.00 55.36 54.29 1xb9 s GLN 16 Cb 0.00 -1.48 0.04 0.00 1.00 0.00 0.00 33.01 32.57 1xb9 s GLN 16 CO 0.00 0.36 -0.04 1.21 -2.12 0.00 0.00 175.29 174.69 1xb9 s ASN 17 N -1.62 2.51 0.21 5.90 2.47 -1.26 -1.72 114.94 121.44 1xb9 s ASN 17 Ca 0.07 -0.51 0.11 0.00 0.42 0.00 0.00 52.86 52.96 1xb9 s ASN 17 Cb -0.10 -0.81 -0.05 0.00 -1.45 0.00 0.00 41.25 38.85 1xb9 s ASN 17 CO 0.03 -0.18 -0.23 -0.36 -3.72 0.00 0.00 177.10 172.65 1xb9 s PHE 18 N 1.71 2.31 0.40 0.43 0.40 0.12 -4.95 117.98 118.39 1xb9 s PHE 18 Ca 0.02 -0.35 -0.27 0.00 -0.60 0.00 0.00 56.93 55.73 1xb9 s PHE 18 Cb -0.14 -1.11 -0.10 0.00 0.51 0.00 0.00 43.02 42.17 1xb9 s PHE 18 CO -0.08 0.55 1.44 1.28 0.70 0.00 0.00 175.22 179.12 1xb9 n LEU 19 N 0.05 4.72 -4.03 -0.37 4.77 -1.26 -0.15 117.00 120.72 1xb9 n LEU 19 Ca -0.11 1.19 -0.22 0.00 -0.03 0.00 0.00 56.01 56.85 1xb9 n LEU 19 Cb 0.57 -1.60 -0.16 0.00 -2.33 0.00 0.00 43.42 39.91 1xb9 n LEU 19 CO 0.32 -0.02 -0.45 0.12 -1.33 0.00 0.00 177.39 176.02 1xb9 s PHE 20 N -1.14 1.12 0.14 -1.77 5.36 -0.09 -4.52 117.98 117.08 1xb9 s PHE 20 Ca 0.56 -0.29 -0.24 0.00 -0.96 0.00 0.00 56.93 55.99 1xb9 s PHE 20 Cb -0.48 -0.78 0.07 0.00 -0.34 0.00 0.00 43.02 41.49 1xb9 s PHE 20 CO 0.62 -0.11 0.76 0.20 -1.46 0.00 0.00 175.22 175.22 1xb9 s GLY 21 N 0.15 -0.42 0.13 13.12 0.00 -1.26 -0.81 107.32 118.24 1xb9 s GLY 21 Ca -0.03 0.42 -0.15 0.00 0.00 0.00 0.00 44.72 44.96 1xb9 s GLY 21 CO 0.01 0.13 0.38 0.00 0.00 0.00 0.00 173.10 173.62 1xb9 s GLU 23 N -3.82 3.17 -0.09 0.00 2.12 -1.26 -1.14 118.70 117.67 1xb9 s GLU 23 Ca 0.04 -0.80 0.04 0.00 0.36 0.00 0.00 54.97 54.61 1xb9 s GLU 23 Cb 0.02 -2.49 -0.01 0.00 0.26 0.00 0.00 34.13 31.91 1xb9 s GLU 23 CO -0.11 0.11 -0.21 -0.51 -0.54 0.00 0.00 175.26 174.00 1xb9 s LEU 24 N 0.55 2.29 0.23 2.70 1.43 0.62 -4.91 118.68 121.59 1xb9 s LEU 24 Ca -0.11 -0.46 -0.19 0.00 -1.03 0.00 0.00 54.13 52.34 1xb9 s LEU 24 Cb -0.16 -1.46 0.02 0.00 0.03 0.00 0.00 46.19 44.62 1xb9 s LEU 24 CO 0.04 0.20 0.60 -1.59 0.23 0.00 0.00 176.35 175.83 1xb9 s LYS 25 N 0.11 1.55 0.30 1.70 -2.85 0.47 -0.67 119.74 120.36 1xb9 s LYS 25 Ca -0.10 -0.93 0.06 0.00 -1.00 0.00 0.00 55.97 54.00 1xb9 s LYS 25 Cb -0.16 0.55 0.86 0.00 -2.06 0.00 0.00 37.83 37.02 1xb9 s LYS 25 CO 0.06 -0.68 1.47 0.00 0.10 0.00 0.00 175.35 176.30 1xb9 n ALA 26 N -0.40 0.60 0.45 0.59 0.00 -1.06 -0.10 120.51 120.60 1xb9 n ALA 26 Ca -0.07 0.99 0.08 0.00 0.00 0.00 0.00 53.44 54.43 1xb9 n ALA 26 Cb 0.61 -0.79 0.21 0.00 0.00 0.00 0.00 19.45 19.49 1xb9 n ALA 26 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1xb9 n ASP 27 N -5.32 2.61 -2.80 0.00 3.85 -1.26 -4.53 116.55 109.11 1xb9 n ASP 27 Ca 0.25 -2.02 -0.03 0.00 -0.71 0.00 0.00 54.79 52.28 1xb9 n ASP 27 Cb 0.84 -0.33 0.01 0.00 -1.35 0.00 0.00 41.12 40.30 1xb9 n ASP 27 CO 0.00 0.00 0.00 -0.75 -1.01 0.00 0.00 177.20 175.44 1xb9 s LYS 28 N -1.39 0.82 0.16 0.11 2.20 0.86 -5.01 119.74 117.48 1xb9 s LYS 28 Ca 0.32 -0.74 0.25 0.00 -0.36 0.00 0.00 55.97 55.44 1xb9 s LYS 28 Cb 0.17 -0.02 0.52 0.00 -1.51 0.00 0.00 37.83 36.99 1xb9 s LYS 28 CO 0.21 -1.03 1.50 0.87 -0.36 0.00 0.00 175.35 176.54 1xb9 h LYS 29 N 5.09 0.00 -5.67 4.03 1.57 -1.70 0.13 116.57 120.03 1xb9 h LYS 29 Ca 0.04 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 58.30 1xb9 h LYS 29 Cb 1.14 0.00 -0.27 0.00 0.08 0.00 0.00 32.23 33.18 1xb9 h LYS 29 CO -0.01 0.00 -0.82 -1.21 -0.57 0.00 0.00 179.45 176.84 1xb9 s GLU 30 N -3.15 1.26 -0.10 3.15 2.02 -1.26 -0.80 118.70 119.82 1xb9 s GLU 30 Ca 0.08 -0.74 0.00 0.00 0.02 0.00 0.00 54.97 54.33 1xb9 s GLU 30 Cb 0.13 -1.27 0.02 0.00 0.10 0.00 0.00 34.13 33.10 1xb9 s GLU 30 CO 0.67 0.33 -0.10 -0.47 0.02 0.00 0.00 175.26 175.72 1xb9 s TYR 31 N -0.63 1.52 -0.23 1.61 5.04 0.84 -5.00 117.35 120.50 1xb9 s TYR 31 Ca 0.06 -0.71 -0.06 0.00 -2.44 0.00 0.00 57.07 53.92 1xb9 s TYR 31 Cb -0.07 -1.21 -0.02 0.00 0.35 0.00 0.00 41.96 41.01 1xb9 s TYR 31 CO 0.01 -0.45 0.03 0.45 -1.34 0.00 0.00 175.55 174.25 1xb9 s SER 32 N 1.36 4.89 -0.20 4.32 0.15 -1.26 -0.05 113.70 122.91 1xb9 s SER 32 Ca -0.01 -0.24 -0.05 0.00 0.70 0.00 0.00 55.95 56.35 1xb9 s SER 32 Cb -0.14 -1.86 -0.02 0.00 -1.71 0.00 0.00 66.02 62.29 1xb9 s SER 32 CO -0.05 -0.01 -0.01 0.12 1.20 0.00 0.00 173.24 174.49 1xb9 s PHE 33 N 1.46 3.02 0.01 3.44 5.36 0.60 -5.00 117.98 126.87 1xb9 s PHE 33 Ca 0.05 -0.52 -0.12 0.00 -0.96 0.00 0.00 56.93 55.39 1xb9 s PHE 33 Cb -0.15 -2.07 0.01 0.00 -0.34 0.00 0.00 43.02 40.47 1xb9 s PHE 33 CO 0.02 -0.27 0.25 -1.59 -1.46 0.00 0.00 175.22 172.16 1xb9 s LYS 34 N 1.02 0.67 0.05 10.12 -2.85 -1.26 -1.37 119.74 126.11 1xb9 s LYS 34 Ca 0.01 -0.41 0.03 0.00 -1.00 0.00 0.00 55.97 54.61 1xb9 s LYS 34 Cb -0.14 0.29 -0.03 0.00 -2.06 0.00 0.00 37.83 35.89 1xb9 s LYS 34 CO 0.01 -0.19 -0.10 0.14 0.10 0.00 0.00 175.35 175.31 1xb9 s VAL 35 N -1.90 0.73 -0.24 1.79 -7.23 -1.26 -5.07 120.40 107.23 1xb9 s VAL 35 Ca -0.10 -1.13 0.01 0.00 -1.81 0.00 0.00 61.98 58.95 1xb9 s VAL 35 Cb -0.04 -0.76 0.06 0.00 0.56 0.00 0.00 36.38 36.20 1xb9 s VAL 35 CO 0.00 -0.31 -0.08 -1.83 -0.31 0.00 0.00 175.10 172.57 1xb9 s GLU 36 N -1.59 1.86 -0.30 4.82 -1.05 -1.26 -4.98 118.70 116.21 1xb9 s GLU 36 Ca -0.07 -1.06 -0.04 0.00 -0.15 0.00 0.00 54.97 53.65 1xb9 s GLU 36 Cb -0.10 -2.64 0.18 0.00 -0.44 0.00 0.00 34.13 31.13 1xb9 s GLU 36 CO 0.01 -0.56 0.69 0.34 0.95 0.00 0.00 175.26 176.69 1xb9 s ASP 37 N 1.32 -1.19 0.03 0.83 -1.08 -1.26 -5.03 116.67 110.29 1xb9 s ASP 37 Ca -0.06 0.81 0.25 0.00 -0.52 0.00 0.00 52.55 53.03 1xb9 s ASP 37 Cb -0.19 2.03 0.54 0.00 -1.46 0.00 0.00 42.92 43.84 1xb9 s ASP 37 CO -0.06 -0.22 1.45 -0.90 0.52 0.00 0.00 175.17 175.95 1xb9 n ASP 38 N 5.43 0.50 -0.11 -0.34 5.68 -1.26 -4.43 116.55 122.02 1xb9 n ASP 38 Ca -0.03 -0.06 -0.21 0.00 -0.50 0.00 0.00 54.79 54.00 1xb9 n ASP 38 Cb 0.51 0.14 -0.09 0.00 -1.14 0.00 0.00 41.12 40.54 1xb9 n ASP 38 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1xb9 n GLU 39 N -1.68 0.51 -4.13 0.11 1.02 -1.26 -5.05 120.64 110.16 1xb9 n GLU 39 Ca 0.05 0.18 -0.35 0.00 -0.02 0.00 0.00 57.16 57.02 1xb9 n GLU 39 Cb 0.37 -1.36 -0.07 0.00 -0.02 0.00 0.00 31.44 30.35 1xb9 n GLU 39 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1xb9 s ASN 40 N -6.70 5.74 0.25 1.62 0.01 -1.26 -5.11 114.94 109.48 1xb9 s ASN 40 Ca -0.31 0.24 -0.20 0.00 -0.71 0.00 0.00 52.86 51.88 1xb9 s ASN 40 Cb 0.11 -1.70 -0.09 0.00 0.41 0.00 0.00 41.25 39.98 1xb9 s ASN 40 CO 0.44 0.34 0.75 -1.61 -1.51 0.00 0.00 177.10 175.52 1xb9 s GLU 41 N -1.27 4.27 0.06 -0.60 8.01 -0.24 -4.84 118.70 124.09 1xb9 s GLU 41 Ca 0.18 0.91 0.08 0.00 0.01 0.00 0.00 54.97 56.15 1xb9 s GLU 41 Cb -0.12 -2.82 -0.03 0.00 -4.31 0.00 0.00 34.13 26.85 1xb9 s GLU 41 CO 0.08 0.36 -0.19 -1.01 0.01 0.00 0.00 175.26 174.50 1xb9 s HIS 42 N -1.58 2.53 -0.02 1.61 3.76 -1.26 -0.78 115.29 119.54 1xb9 s HIS 42 Ca 0.45 -0.27 -0.02 0.00 -0.15 0.00 0.00 55.06 55.07 1xb9 s HIS 42 Cb -0.16 -1.43 0.01 0.00 1.11 0.00 0.00 32.58 32.11 1xb9 s HIS 42 CO 0.21 0.27 0.06 -1.14 -0.85 0.00 0.00 174.74 173.29 1xb9 s GLN 43 N -1.58 0.06 -0.36 1.40 2.00 -0.29 -4.53 119.66 116.36 1xb9 s GLN 43 Ca 0.15 0.10 -0.11 0.00 -2.00 0.00 0.00 55.36 53.49 1xb9 s GLN 43 Cb -0.10 0.00 0.02 0.00 0.80 0.00 0.00 33.01 33.72 1xb9 s GLN 43 CO 0.06 -0.02 0.21 -1.17 -0.50 0.00 0.00 175.29 173.86 1xb9 s LEU 44 N 0.15 4.62 -0.50 3.68 2.96 -0.01 -0.93 118.68 128.64 1xb9 s LEU 44 Ca -0.01 -0.83 -0.13 0.00 -0.22 0.00 0.00 54.13 52.94 1xb9 s LEU 44 Cb -0.02 -2.05 0.12 0.00 0.50 0.00 0.00 46.19 44.75 1xb9 s LEU 44 CO -0.00 -0.34 0.42 -0.55 -1.32 0.00 0.00 176.35 174.55 1xb9 s SER 45 N 1.60 5.96 -0.05 3.68 0.15 -0.26 -0.11 113.70 124.67 1xb9 s SER 45 Ca 0.03 -1.80 -0.30 0.00 0.70 0.00 0.00 55.95 54.59 1xb9 s SER 45 Cb -0.19 -2.12 -0.03 0.00 -1.71 0.00 0.00 66.02 61.98 1xb9 s SER 45 CO 0.07 -0.76 1.15 -0.76 1.20 0.00 0.00 173.24 174.15 1xb9 s LEU 46 N 1.49 4.29 -0.19 3.45 1.43 -0.08 -0.47 118.68 128.60 1xb9 s LEU 46 Ca 0.04 1.78 -0.11 0.00 -1.03 0.00 0.00 54.13 54.81 1xb9 s LEU 46 Cb -0.28 -3.56 -0.08 0.00 0.03 0.00 0.00 46.19 42.30 1xb9 s LEU 46 CO 0.02 -0.53 -0.27 0.54 0.23 0.00 0.00 176.35 176.34 1xb9 n ARG 47 N 4.93 0.43 -4.06 1.70 5.12 0.22 -1.49 116.66 123.52 1xb9 n ARG 47 Ca 0.10 0.19 -0.11 0.00 -1.93 0.00 0.00 57.85 56.10 1xb9 n ARG 47 Cb 0.47 -1.22 -0.11 0.00 -1.16 0.00 0.00 32.46 30.44 1xb9 n ARG 47 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1xb9 s THR 48 N -2.44 0.42 -0.10 0.55 -4.23 -1.02 0.29 115.64 109.11 1xb9 s THR 48 Ca -0.27 -1.25 0.03 0.00 -1.18 0.00 0.00 61.69 59.01 1xb9 s THR 48 Cb 0.09 -0.79 -0.01 0.00 1.34 0.00 0.00 72.50 73.14 1xb9 s THR 48 CO 0.35 -0.56 -0.20 -0.69 -0.54 0.00 0.00 174.62 172.99 1xb9 s VAL 49 N -2.04 2.46 -0.05 2.29 1.01 0.85 -1.34 120.40 123.59 1xb9 s VAL 49 Ca -0.06 -0.89 -0.12 0.00 0.00 0.00 0.00 61.98 60.91 1xb9 s VAL 49 Cb -0.06 -1.97 0.02 0.00 0.00 0.00 0.00 36.38 34.38 1xb9 s VAL 49 CO -0.02 0.55 0.29 -0.94 0.00 0.00 0.00 175.10 174.98 1xb9 s SER 50 N 0.17 -0.22 0.02 3.32 1.04 -0.50 -1.07 113.70 116.46 1xb9 s SER 50 Ca -0.11 0.28 -0.21 0.00 0.48 0.00 0.00 55.95 56.39 1xb9 s SER 50 Cb -0.16 0.43 -0.06 0.00 0.10 0.00 0.00 66.02 66.34 1xb9 s SER 50 CO 0.06 -0.30 0.60 -0.76 0.98 0.00 0.00 173.24 173.83 1xb9 s LEU 51 N -0.71 4.45 0.88 2.42 1.43 -0.24 0.02 118.68 126.92 1xb9 s LEU 51 Ca -0.08 1.21 -0.11 0.00 -1.03 0.00 0.00 54.13 54.12 1xb9 s LEU 51 Cb -0.04 -2.94 0.12 0.00 0.03 0.00 0.00 46.19 43.36 1xb9 s LEU 51 CO 0.02 0.14 1.09 -0.83 0.23 0.00 0.00 176.35 177.01 1xb9 s GLY 52 N -0.42 1.63 0.51 -3.19 0.00 0.30 -4.94 107.32 101.21 1xb9 s GLY 52 Ca 0.31 0.04 0.25 0.00 0.00 0.00 0.00 44.72 45.32 1xb9 s GLY 52 CO 0.18 0.50 2.05 0.00 0.00 0.00 0.00 173.10 175.82 1xb9 h ALA 53 N -1.49 1.32 -0.53 3.20 0.00 -1.98 -2.63 119.26 117.15 1xb9 h ALA 53 Ca -0.48 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1xb9 h ALA 53 Cb 1.27 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1xb9 h ALA 53 CO 0.53 0.17 0.00 -1.13 0.00 0.00 0.00 179.25 178.82 1xb9 n SER 54 N -3.71 3.56 -4.76 0.00 3.41 -1.26 -4.95 113.62 105.91 1xb9 n SER 54 Ca -0.02 -1.98 -0.41 0.00 -0.26 0.00 0.00 58.87 56.21 1xb9 n SER 54 Cb 0.25 -0.35 -0.02 0.00 -0.26 0.00 0.00 64.21 63.83 1xb9 n SER 54 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xb9 s ALA 55 N -1.17 3.57 0.34 7.33 0.00 -0.99 -4.84 121.76 126.00 1xb9 s ALA 55 Ca 0.40 1.35 -0.29 0.00 0.00 0.00 0.00 51.96 53.42 1xb9 s ALA 55 Cb 0.22 -3.54 -0.11 0.00 0.00 0.00 0.00 23.12 19.69 1xb9 s ALA 55 CO 0.29 -0.76 1.49 0.21 0.00 0.00 0.00 175.76 176.99 1xb9 s LYS 56 N -1.24 4.15 -0.97 0.00 2.20 -1.26 -4.86 119.74 117.76 1xb9 s LYS 56 Ca 0.54 2.52 -0.22 0.00 -0.36 0.00 0.00 55.97 58.45 1xb9 s LYS 56 Cb -0.42 -3.00 -0.11 0.00 -1.51 0.00 0.00 37.83 32.79 1xb9 s LYS 56 CO 0.51 -0.51 1.93 -3.47 -0.36 0.00 0.00 175.35 173.45 1xb9 n ASP 57 N 1.02 2.90 -4.12 1.43 2.03 -1.26 -4.62 116.55 113.92 1xb9 n ASP 57 Ca 0.03 -2.71 -0.10 0.00 0.52 0.00 0.00 54.79 52.53 1xb9 n ASP 57 Cb 0.39 -1.38 -0.09 0.00 -0.72 0.00 0.00 41.12 39.32 1xb9 n ASP 57 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 1xb9 s GLU 58 N 5.36 1.07 0.26 -0.67 -1.05 -1.26 -4.93 118.70 117.48 1xb9 s GLU 58 Ca 0.60 -1.43 -0.30 0.00 -0.15 0.00 0.00 54.97 53.69 1xb9 s GLU 58 Cb 0.09 0.28 -0.11 0.00 -0.44 0.00 0.00 34.13 33.96 1xb9 s GLU 58 CO 0.11 -0.34 1.52 -1.17 0.95 0.00 0.00 175.26 176.33 1xb9 s LEU 59 N -3.06 4.37 -0.10 1.83 2.96 -1.26 -4.35 118.68 119.07 1xb9 s LEU 59 Ca 0.27 2.78 0.04 0.00 -0.22 0.00 0.00 54.13 56.99 1xb9 s LEU 59 Cb 0.06 -3.62 -0.00 0.00 0.50 0.00 0.00 46.19 43.13 1xb9 s LEU 59 CO 0.04 -0.80 -0.23 -1.00 -1.32 0.00 0.00 176.35 173.04 1xb9 s HIS 60 N 0.13 2.58 -0.12 5.38 3.76 0.14 -3.82 115.29 123.34 1xb9 s HIS 60 Ca 0.62 -1.01 -0.00 0.00 -0.15 0.00 0.00 55.06 54.52 1xb9 s HIS 60 Cb -0.44 -1.72 -0.02 0.00 1.11 0.00 0.00 32.58 31.50 1xb9 s HIS 60 CO 0.44 -0.40 -0.10 0.08 -0.85 0.00 0.00 174.74 173.91 1xb9 s VAL 61 N 0.33 3.35 -0.12 -0.90 1.01 -0.62 -1.21 120.40 122.24 1xb9 s VAL 61 Ca -0.18 -0.57 0.03 0.00 0.00 0.00 0.00 61.98 61.26 1xb9 s VAL 61 Cb -0.18 -2.40 0.00 0.00 0.00 0.00 0.00 36.38 33.80 1xb9 s VAL 61 CO 0.09 0.54 -0.22 -0.69 0.00 0.00 0.00 175.10 174.81 1xb9 s VAL 62 N 0.05 2.14 0.14 2.92 1.01 -0.49 -0.80 120.40 125.36 1xb9 s VAL 62 Ca -0.03 -0.97 0.10 0.00 0.00 0.00 0.00 61.98 61.07 1xb9 s VAL 62 Cb -0.14 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 1xb9 s VAL 62 CO 0.04 0.55 -0.23 -1.83 0.00 0.00 0.00 175.10 173.63 1xb9 s GLU 63 N 0.60 1.29 0.14 2.72 -1.05 0.14 -0.05 118.70 122.48 1xb9 s GLU 63 Ca -0.12 -1.31 0.09 0.00 -0.15 0.00 0.00 54.97 53.48 1xb9 s GLU 63 Cb -0.17 -1.59 -0.04 0.00 -0.44 0.00 0.00 34.13 31.89 1xb9 s GLU 63 CO 0.03 0.36 -0.18 0.00 0.95 0.00 0.00 175.26 176.42 1xb9 s ALA 64 N -1.37 2.67 -0.04 -0.84 0.00 -0.57 -0.68 121.76 120.93 1xb9 s ALA 64 Ca 0.12 -1.42 -0.00 0.00 0.00 0.00 0.00 51.96 50.66 1xb9 s ALA 64 Cb -0.09 -0.60 0.03 0.00 0.00 0.00 0.00 23.12 22.46 1xb9 s ALA 64 CO 0.06 0.55 -0.00 -2.00 0.00 0.00 0.00 175.76 174.37 1xb9 s GLU 65 N -2.30 0.45 0.00 0.00 2.12 0.34 -0.66 118.70 118.65 1xb9 s GLU 65 Ca 0.19 0.08 -0.30 0.00 0.36 0.00 0.00 54.97 55.30 1xb9 s GLU 65 Cb -0.10 -0.69 0.11 0.00 0.26 0.00 0.00 34.13 33.71 1xb9 s GLU 65 CO 0.10 -0.19 1.18 0.20 -0.54 0.00 0.00 175.26 176.01 1xb9 s GLY 66 N 1.38 -0.36 0.03 -1.50 0.00 -0.76 -0.54 107.32 105.57 1xb9 s GLY 66 Ca -0.04 0.69 -0.18 0.00 0.00 0.00 0.00 44.72 45.19 1xb9 s GLY 66 CO -0.02 0.16 0.52 -0.26 0.00 0.00 0.00 173.10 173.50 1xb9 s ILE 67 N -2.66 4.87 0.90 0.90 -5.25 -1.26 -0.28 121.20 118.41 1xb9 s ILE 67 Ca 0.13 1.10 -0.13 0.00 -0.99 0.00 0.00 60.65 60.76 1xb9 s ILE 67 Cb 0.02 -3.85 0.17 0.00 2.95 0.00 0.00 42.46 41.76 1xb9 s ILE 67 CO -0.03 0.53 1.24 0.54 -1.79 0.00 0.00 174.94 175.43 1xb9 s ASN 68 N -0.87 3.53 0.55 4.36 2.20 0.64 -4.92 114.94 120.43 1xb9 s ASN 68 Ca 0.28 0.21 0.23 0.00 -0.94 0.00 0.00 52.86 52.64 1xb9 s ASN 68 Cb -0.18 -0.38 1.50 0.00 -2.00 0.00 0.00 41.25 40.18 1xb9 s ASN 68 CO 0.17 -2.46 2.15 0.10 -2.94 0.00 0.00 177.10 174.11 1xb9 h TYR 69 N -1.35 0.00 -0.05 1.54 -0.00 -1.98 -1.89 116.97 113.24 1xb9 h TYR 69 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.30 1xb9 h TYR 69 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.98 1xb9 h TYR 69 CO -0.79 0.00 0.00 0.39 -0.00 0.00 0.00 178.16 177.76 1xb9 n GLU 70 N -4.21 1.60 -0.93 0.10 -0.58 -1.26 -4.94 120.64 110.41 1xb9 n GLU 70 Ca -0.00 -0.88 0.00 0.00 -0.42 0.00 0.00 57.16 55.86 1xb9 n GLU 70 Cb 0.20 -1.46 0.00 0.00 -0.57 0.00 0.00 31.44 29.61 1xb9 n GLU 70 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xb9 n GLY 71 N 1.14 0.82 3.71 0.62 0.00 -0.71 -5.05 105.19 105.71 1xb9 n GLY 71 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1xb9 n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xb9 s LYS 72 N -0.07 4.55 0.14 1.61 3.01 -1.26 -4.78 119.74 122.95 1xb9 s LYS 72 Ca 0.00 1.39 -0.31 0.00 -1.01 0.00 0.00 55.97 56.03 1xb9 s LYS 72 Cb 0.00 -3.46 -0.10 0.00 -1.01 0.00 0.00 37.83 33.26 1xb9 s LYS 72 CO 0.00 -0.04 1.62 0.99 0.51 0.00 0.00 175.35 178.43 1xb9 s THR 73 N 0.99 2.67 0.16 2.17 2.01 -1.26 -0.26 115.64 122.12 1xb9 s THR 73 Ca 0.51 0.39 0.06 0.00 0.31 0.00 0.00 61.69 62.96 1xb9 s THR 73 Cb -0.21 -3.25 -0.04 0.00 0.01 0.00 0.00 72.50 69.00 1xb9 s THR 73 CO 0.27 0.02 -0.12 0.27 -0.69 0.00 0.00 174.62 174.37 1xb9 s ILE 74 N 1.61 1.39 -0.14 1.82 -4.36 0.61 -4.91 121.20 117.23 1xb9 s ILE 74 Ca 0.72 -2.08 -0.02 0.00 -0.26 0.00 0.00 60.65 59.02 1xb9 s ILE 74 Cb -0.43 -1.88 -0.02 0.00 1.25 0.00 0.00 42.46 41.37 1xb9 s ILE 74 CO 0.32 -0.66 -0.08 -0.54 0.24 0.00 0.00 174.94 174.22 1xb9 s LYS 75 N -3.59 3.46 0.11 0.37 1.02 -1.26 -1.82 119.74 118.02 1xb9 s LYS 75 Ca 0.18 -0.60 0.10 0.00 0.02 0.00 0.00 55.97 55.67 1xb9 s LYS 75 Cb 0.01 -2.76 -0.04 0.00 -0.52 0.00 0.00 37.83 34.52 1xb9 s LYS 75 CO 0.03 0.27 -0.26 0.96 -0.92 0.00 0.00 175.35 175.43 1xb9 s ILE 76 N 0.24 2.15 -0.17 2.17 -4.36 0.17 -4.98 121.20 116.42 1xb9 s ILE 76 Ca -0.06 -1.64 -0.29 0.00 -0.26 0.00 0.00 60.65 58.41 1xb9 s ILE 76 Cb -0.15 -1.89 -0.00 0.00 1.25 0.00 0.00 42.46 41.67 1xb9 s ILE 76 CO 0.04 0.13 1.00 0.00 0.24 0.00 0.00 174.94 176.35 1xb9 s ALA 77 N -1.01 3.54 -0.05 2.27 0.00 -1.26 -1.52 121.76 123.74 1xb9 s ALA 77 Ca 0.12 0.25 -0.12 0.00 0.00 0.00 0.00 51.96 52.21 1xb9 s ALA 77 Cb -0.10 -3.46 -0.31 0.00 0.00 0.00 0.00 23.12 19.25 1xb9 s ALA 77 CO 0.05 -0.80 0.69 -0.07 0.00 0.00 0.00 175.76 175.62 1xb9 h LEU 78 N 8.67 0.63 -7.00 0.00 3.38 -0.80 -3.48 115.31 116.71 1xb9 h LEU 78 Ca -0.26 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 56.78 1xb9 h LEU 78 Cb 1.11 -0.20 -0.22 0.00 0.09 0.00 0.00 40.66 41.43 1xb9 h LEU 78 CO 0.91 1.77 0.30 0.00 0.09 0.00 0.00 178.44 181.51 1xb9 s ALA 79 N -2.57 -1.85 -0.15 1.53 0.00 -1.15 -5.02 121.76 112.54 1xb9 s ALA 79 Ca -0.16 1.70 0.01 0.00 0.00 0.00 0.00 51.96 53.51 1xb9 s ALA 79 Cb 0.05 -0.79 0.00 0.00 0.00 0.00 0.00 23.12 22.38 1xb9 s ALA 79 CO 0.86 -0.32 -0.16 -1.12 0.00 0.00 0.00 175.76 175.01 1xb9 s SER 80 N -0.42 3.56 0.10 0.00 0.01 -1.26 -1.40 113.70 114.29 1xb9 s SER 80 Ca -0.03 -0.49 0.02 0.00 1.31 0.00 0.00 55.95 56.76 1xb9 s SER 80 Cb -0.03 -1.54 -0.04 0.00 0.21 0.00 0.00 66.02 64.62 1xb9 s SER 80 CO 0.02 0.08 -0.07 -0.76 0.41 0.00 0.00 173.24 172.92 1xb9 s LEU 81 N 0.81 2.48 -0.19 2.44 1.02 -0.35 -4.95 118.68 119.95 1xb9 s LEU 81 Ca -0.06 -0.96 -0.13 0.00 0.02 0.00 0.00 54.13 53.01 1xb9 s LEU 81 Cb -0.15 -0.12 0.06 0.00 0.02 0.00 0.00 46.19 45.99 1xb9 s LEU 81 CO -0.00 -0.42 0.48 -0.75 0.02 0.00 0.00 176.35 175.68 1xb9 s LYS 82 N -3.57 0.51 0.35 1.70 2.20 -1.05 0.27 119.74 120.15 1xb9 s LYS 82 Ca 0.10 0.81 0.02 0.00 -0.36 0.00 0.00 55.97 56.54 1xb9 s LYS 82 Cb 0.03 0.12 0.62 0.00 -1.51 0.00 0.00 37.83 37.09 1xb9 s LYS 82 CO -0.03 -0.12 1.99 -1.35 -0.36 0.00 0.00 175.35 175.48 1xb9 h PRO 83 N 6.42 0.81 -0.12 4.03 0.11 -1.82 0.48 132.00 141.91 1xb9 h PRO 83 Ca -0.32 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1xb9 h PRO 83 Cb 1.19 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.12 1xb9 h PRO 83 CO 0.24 0.56 0.00 -1.13 -0.21 0.00 0.00 178.00 177.46 1xb9 n SER 84 N -4.42 1.49 0.00 -2.05 3.41 -1.26 -4.26 113.62 106.52 1xb9 n SER 84 Ca 0.06 -1.63 0.00 0.00 -0.26 0.00 0.00 58.87 57.04 1xb9 n SER 84 Cb 0.07 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 1xb9 n SER 84 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1xb9 n VAL 85 N 0.19 0.00 -2.86 -3.33 0.31 -0.42 -5.01 118.33 107.21 1xb9 n VAL 85 Ca 0.17 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.45 1xb9 n VAL 85 Cb 0.31 -1.18 0.00 0.00 -0.91 0.00 0.00 33.84 32.06 1xb9 n VAL 85 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 1xb9 s GLN 86 N -1.97 1.03 0.21 5.55 0.74 0.03 -4.99 119.66 120.25 1xb9 s GLN 86 Ca 0.00 -0.99 0.24 0.00 0.05 0.00 0.00 55.36 54.65 1xb9 s GLN 86 Cb 0.00 -0.10 0.91 0.00 1.10 0.00 0.00 33.01 34.93 1xb9 s GLN 86 CO 0.00 -1.31 1.72 -0.35 -0.55 0.00 0.00 175.29 174.80 1xb9 n PRO 87 N 3.17 0.19 -4.24 1.67 -0.04 -1.19 -2.52 135.00 132.04 1xb9 n PRO 87 Ca 0.17 0.33 -0.17 0.00 -0.04 0.00 0.00 63.50 63.79 1xb9 n PRO 87 Cb 0.56 -1.80 -0.15 0.00 -0.04 0.00 0.00 33.50 32.07 1xb9 n PRO 87 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1xb9 s THR 88 N -3.21 0.53 -0.14 0.52 2.01 -1.26 -1.08 115.64 113.01 1xb9 s THR 88 Ca 0.07 -0.28 0.02 0.00 0.31 0.00 0.00 61.69 61.81 1xb9 s THR 88 Cb 0.11 -0.46 0.01 0.00 0.01 0.00 0.00 72.50 72.17 1xb9 s THR 88 CO 0.45 0.16 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.65 1xb9 s VAL 89 N -0.10 1.85 -0.23 3.82 1.01 -0.23 -5.01 120.40 121.50 1xb9 s VAL 89 Ca 0.02 -0.84 -0.09 0.00 0.00 0.00 0.00 61.98 61.07 1xb9 s VAL 89 Cb -0.03 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 1xb9 s VAL 89 CO -0.00 0.51 0.12 -0.55 0.00 0.00 0.00 175.10 175.17 1xb9 s SER 90 N 1.03 5.73 0.34 3.32 0.15 -1.26 -0.10 113.70 122.90 1xb9 s SER 90 Ca -0.03 0.01 0.23 0.00 0.70 0.00 0.00 55.95 56.85 1xb9 s SER 90 Cb -0.15 -2.03 0.20 0.00 -1.71 0.00 0.00 66.02 62.34 1xb9 s SER 90 CO -0.05 0.05 1.37 -0.07 1.20 0.00 0.00 173.24 175.74 1xb9 h LEU 91 N 7.61 0.00 0.06 3.45 3.38 -0.42 -3.49 115.31 125.91 1xb9 h LEU 91 Ca -0.37 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.57 1xb9 h LEU 91 Cb 1.17 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 1xb9 h LEU 91 CO 0.63 0.00 -0.02 0.61 0.09 0.00 0.00 178.44 179.75 1xb9 n GLY 92 N 1.14 0.50 0.77 0.83 0.00 -1.24 -4.17 105.19 103.02 1xb9 n GLY 92 Ca 0.02 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.68 1xb9 n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xb9 n GLY 93 N -2.49 0.88 3.57 -0.02 0.00 -0.56 -5.00 105.19 101.58 1xb9 n GLY 93 Ca -0.01 -0.54 -0.42 0.00 0.00 0.00 0.00 46.02 45.05 1xb9 n GLY 93 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1xb9 s PHE 94 N -2.51 2.45 0.04 1.61 5.99 -0.73 -4.76 117.98 120.06 1xb9 s PHE 94 Ca 0.00 0.23 -0.24 0.00 0.00 0.00 0.00 56.93 56.93 1xb9 s PHE 94 Cb 0.00 -4.55 -0.06 0.00 0.00 0.00 0.00 43.02 38.41 1xb9 s PHE 94 CO 0.00 -1.82 0.72 -1.21 -0.00 0.00 0.00 175.22 172.91 1xb9 s GLU 95 N 5.33 4.45 -0.04 10.12 2.02 -1.26 -0.90 118.70 138.42 1xb9 s GLU 95 Ca 0.41 0.98 0.01 0.00 0.02 0.00 0.00 54.97 56.39 1xb9 s GLU 95 Cb -0.08 -3.35 0.02 0.00 0.10 0.00 0.00 34.13 30.82 1xb9 s GLU 95 CO 0.21 0.32 -0.05 0.42 0.02 0.00 0.00 175.26 176.18 1xb9 s ILE 96 N -0.14 0.56 -0.07 -1.63 1.01 0.84 -4.98 121.20 116.80 1xb9 s ILE 96 Ca 0.36 -0.16 -0.26 0.00 0.00 0.00 0.00 60.65 60.59 1xb9 s ILE 96 Cb -0.20 -0.56 -0.03 0.00 0.01 0.00 0.00 42.46 41.68 1xb9 s ILE 96 CO 0.22 0.22 0.84 -0.89 0.00 0.00 0.00 174.94 175.32 1xb9 s THR 97 N 0.74 4.94 0.73 2.92 2.01 -1.26 -0.83 115.64 124.88 1xb9 s THR 97 Ca -0.10 1.72 -0.13 0.00 0.31 0.00 0.00 61.69 63.49 1xb9 s THR 97 Cb -0.13 -4.17 0.04 0.00 0.01 0.00 0.00 72.50 68.25 1xb9 s THR 97 CO 0.00 0.16 1.13 -2.16 -0.69 0.00 0.00 174.62 173.07 1xb9 s PRO 98 N 1.22 2.33 0.55 4.92 0.04 -1.26 -4.51 135.00 138.29 1xb9 s PRO 98 Ca 0.43 1.45 -0.08 0.00 0.04 0.00 0.00 61.00 62.84 1xb9 s PRO 98 Cb -0.19 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.43 1xb9 s PRO 98 CO 0.20 -1.62 0.91 -1.25 0.04 0.00 0.00 177.00 175.27 1xb9 s PRO 99 N -4.28 3.55 -0.08 0.56 0.04 -1.26 -4.94 135.00 128.59 1xb9 s PRO 99 Ca 0.67 0.46 -0.14 0.00 0.04 0.00 0.00 61.00 62.03 1xb9 s PRO 99 Cb -0.22 -2.23 0.03 0.00 0.04 0.00 0.00 34.50 32.12 1xb9 s PRO 99 CO 0.47 -0.39 0.35 0.54 0.04 0.00 0.00 177.00 178.01 1xb9 s VAL 100 N -2.96 0.03 -0.19 -0.36 0.11 -0.47 -4.66 120.40 111.90 1xb9 s VAL 100 Ca 0.51 -0.22 -0.05 0.00 -2.93 0.00 0.00 61.98 59.29 1xb9 s VAL 100 Cb -0.11 -0.57 -0.03 0.00 -1.53 0.00 0.00 36.38 34.14 1xb9 s VAL 100 CO 0.49 -0.12 -0.00 -0.63 -3.33 0.00 0.00 175.10 171.51 1xb9 s ILE 101 N -0.55 4.03 -0.13 7.04 1.01 0.30 -0.29 121.20 132.61 1xb9 s ILE 101 Ca -0.07 -0.29 -0.06 0.00 0.00 0.00 0.00 60.65 60.23 1xb9 s ILE 101 Cb -0.04 -2.81 -0.04 0.00 0.01 0.00 0.00 42.46 39.58 1xb9 s ILE 101 CO 0.03 0.45 0.10 -0.76 0.00 0.00 0.00 174.94 174.76 1xb9 s LEU 102 N 0.78 4.16 -0.00 2.97 1.43 0.93 -0.50 118.68 128.45 1xb9 s LEU 102 Ca 0.00 0.34 -0.00 0.00 -1.03 0.00 0.00 54.13 53.44 1xb9 s LEU 102 Cb -0.14 -2.01 -0.00 0.00 0.03 0.00 0.00 46.19 44.06 1xb9 s LEU 102 CO 0.02 0.36 0.01 -0.60 0.23 0.00 0.00 176.35 176.37 1xb9 s ARG 103 N -0.71 0.05 -0.57 1.70 3.52 0.14 -0.11 118.95 122.97 1xb9 s ARG 103 Ca 0.13 -0.06 -0.23 0.00 -0.13 0.00 0.00 55.73 55.44 1xb9 s ARG 103 Cb -0.12 0.02 0.05 0.00 -1.56 0.00 0.00 34.95 33.34 1xb9 s ARG 103 CO 0.03 -0.01 0.91 -1.17 -0.81 0.00 0.00 175.30 174.25 1xb9 s LEU 104 N -0.17 4.25 0.05 -0.88 0.20 0.02 0.26 118.68 122.41 1xb9 s LEU 104 Ca -0.02 -0.54 -0.13 0.00 0.69 0.00 0.00 54.13 54.13 1xb9 s LEU 104 Cb -0.01 -2.70 -0.30 0.00 -0.43 0.00 0.00 46.19 42.74 1xb9 s LEU 104 CO -0.00 -1.23 1.08 0.50 -0.29 0.00 0.00 176.35 176.41 1xb9 h LYS 105 N 9.33 0.52 -2.80 1.98 3.64 -1.29 -3.48 116.57 124.47 1xb9 h LYS 105 Ca -0.27 -0.79 -0.05 0.00 -1.27 0.00 0.00 60.65 58.28 1xb9 h LYS 105 Cb 1.08 0.28 -0.15 0.00 -0.41 0.00 0.00 32.23 33.02 1xb9 h LYS 105 CO 1.09 1.36 0.11 -1.54 -2.27 0.00 0.00 179.45 178.20 1xb9 s SER 106 N -7.43 -0.49 0.00 4.20 1.04 -1.21 -4.97 113.70 104.83 1xb9 s SER 106 Ca -0.08 0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.50 1xb9 s SER 106 Cb 0.05 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.71 1xb9 s SER 106 CO 0.93 -0.80 0.00 0.61 0.98 0.00 0.00 173.24 174.96 1xb9 n GLY 107 N 0.15 1.18 0.32 7.32 0.00 -1.25 -1.58 105.19 111.34 1xb9 n GLY 107 Ca -0.18 -1.72 0.05 0.00 0.00 0.00 0.00 46.02 44.17 1xb9 n GLY 107 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1xb9 h SER 108 N 0.00 0.53 -1.72 1.61 4.64 -1.89 -3.44 113.55 113.28 1xb9 h SER 108 Ca 0.00 -0.01 0.13 0.00 -0.47 0.00 0.00 61.79 61.44 1xb9 h SER 108 Cb 0.00 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 61.93 1xb9 h SER 108 CO 0.00 0.37 -0.17 0.61 -0.87 0.00 0.00 176.83 176.77 1xb9 n GLY 109 N -1.47 -1.22 3.84 -0.77 0.00 -1.26 -2.55 105.19 101.76 1xb9 n GLY 109 Ca 0.05 -1.02 -0.32 0.00 0.00 0.00 0.00 46.02 44.73 1xb9 n GLY 109 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xb9 s PRO 110 N -0.74 3.96 -0.01 1.61 0.04 -1.26 -4.15 135.00 134.45 1xb9 s PRO 110 Ca 0.00 0.97 0.05 0.00 0.04 0.00 0.00 61.00 62.06 1xb9 s PRO 110 Cb 0.00 -2.14 -0.01 0.00 0.04 0.00 0.00 34.50 32.39 1xb9 s PRO 110 CO 0.00 -0.26 -0.17 0.08 0.04 0.00 0.00 177.00 176.69 1xb9 s VAL 111 N -2.59 1.31 0.05 -0.36 1.01 0.16 -0.54 120.40 119.43 1xb9 s VAL 111 Ca 0.59 -0.72 0.08 0.00 0.00 0.00 0.00 61.98 61.93 1xb9 s VAL 111 Cb -0.10 -1.09 -0.03 0.00 0.00 0.00 0.00 36.38 35.16 1xb9 s VAL 111 CO 0.30 0.36 -0.23 -0.31 0.00 0.00 0.00 175.10 175.22 1xb9 s TYR 112 N -0.40 2.42 -0.06 5.22 1.51 0.10 -0.28 117.35 125.85 1xb9 s TYR 112 Ca 0.06 -0.35 0.04 0.00 -1.01 0.00 0.00 57.07 55.82 1xb9 s TYR 112 Cb -0.06 -1.42 -0.00 0.00 -0.11 0.00 0.00 41.96 40.37 1xb9 s TYR 112 CO -0.01 0.18 -0.20 0.08 -1.11 0.00 0.00 175.55 174.50 1xb9 s VAL 113 N -0.86 1.67 0.08 0.71 1.01 -0.29 -1.41 120.40 121.31 1xb9 s VAL 113 Ca 0.13 -0.83 0.06 0.00 0.00 0.00 0.00 61.98 61.34 1xb9 s VAL 113 Cb -0.10 -1.44 -0.03 0.00 0.00 0.00 0.00 36.38 34.81 1xb9 s VAL 113 CO 0.03 0.47 -0.15 -0.94 0.00 0.00 0.00 175.10 174.52 1xb9 s SER 114 N 0.15 1.86 0.00 3.32 1.04 -0.45 -0.98 113.70 118.65 1xb9 s SER 114 Ca -0.09 -0.66 0.00 0.00 0.48 0.00 0.00 55.95 55.68 1xb9 s SER 114 Cb -0.14 -0.07 0.00 0.00 0.10 0.00 0.00 66.02 65.91 1xb9 s SER 114 CO 0.04 -0.07 0.00 0.61 0.98 0.00 0.00 173.24 174.80 1xb9 n GLY 115 N 1.12 1.18 3.28 7.32 0.00 0.01 -0.61 105.19 117.49 1xb9 n GLY 115 Ca -0.20 -0.26 -0.28 0.00 0.00 0.00 0.00 46.02 45.28 1xb9 n GLY 115 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xb9 s GLN 116 N 2.07 1.71 -0.25 1.61 -0.21 0.38 -0.91 119.66 124.05 1xb9 s GLN 116 Ca 0.00 -0.93 -0.05 0.00 0.02 0.00 0.00 55.36 54.39 1xb9 s GLN 116 Cb 0.00 -1.76 -0.00 0.00 1.00 0.00 0.00 33.01 32.25 1xb9 s GLN 116 CO 0.00 0.47 0.02 -1.58 -2.12 0.00 0.00 175.29 172.08 1xb9 s HIS 117 N -0.68 3.06 -0.10 0.91 5.65 0.79 -1.11 115.29 123.81 1xb9 s HIS 117 Ca 0.09 -0.89 -0.01 0.00 0.25 0.00 0.00 55.06 54.50 1xb9 s HIS 117 Cb -0.09 -2.18 -0.03 0.00 -1.18 0.00 0.00 32.58 29.10 1xb9 s HIS 117 CO 0.01 -0.53 -0.07 -0.51 -0.65 0.00 0.00 174.74 172.99 1xb9 s LEU 118 N 1.50 3.13 -0.16 8.88 1.43 -0.11 0.10 118.68 133.45 1xb9 s LEU 118 Ca 0.04 -0.09 -0.01 0.00 -1.03 0.00 0.00 54.13 53.04 1xb9 s LEU 118 Cb -0.16 -1.70 0.04 0.00 0.03 0.00 0.00 46.19 44.41 1xb9 s LEU 118 CO 0.00 0.28 -0.03 -0.69 0.23 0.00 0.00 176.35 176.15 1xb9 s VAL 119 N -0.33 0.90 -2.01 -1.59 1.01 -0.70 -1.13 120.40 116.56 1xb9 s VAL 119 Ca 0.05 -0.54 0.16 0.00 0.00 0.00 0.00 61.98 61.64 1xb9 s VAL 119 Cb -0.13 -1.15 0.13 0.00 0.00 0.00 0.00 36.38 35.23 1xb9 s VAL 119 CO 0.02 0.06 1.01 0.00 0.00 0.00 0.00 175.10 176.19