#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 4.07 -0.02 1.43 -0.21 -0.52 -4.92 119.66 119.49 1xb9 s GLN 16 Ca 0.00 0.79 0.00 0.00 0.02 0.00 0.00 55.36 56.17 1xb9 s GLN 16 Cb 0.00 -2.37 0.02 0.00 1.00 0.00 0.00 33.01 31.65 1xb9 s GLN 16 CO 0.00 0.11 0.00 1.21 -2.12 0.00 0.00 175.29 174.50 1xb9 s ASN 17 N -2.24 0.23 0.12 5.90 2.47 -1.26 -1.53 114.94 118.64 1xb9 s ASN 17 Ca 0.56 -0.01 0.04 0.00 0.42 0.00 0.00 52.86 53.87 1xb9 s ASN 17 Cb -0.10 -0.11 -0.04 0.00 -1.45 0.00 0.00 41.25 39.55 1xb9 s ASN 17 CO 0.16 -0.07 -0.09 -0.36 -3.72 0.00 0.00 177.10 173.02 1xb9 s PHE 18 N 0.71 1.11 0.36 0.43 0.40 -0.62 -4.99 117.98 115.38 1xb9 s PHE 18 Ca -0.06 -0.77 -0.27 0.00 -0.60 0.00 0.00 56.93 55.23 1xb9 s PHE 18 Cb -0.09 -0.59 -0.09 0.00 0.51 0.00 0.00 43.02 42.75 1xb9 s PHE 18 CO -0.02 0.00 1.14 -0.51 0.70 0.00 0.00 175.22 176.53 1xb9 s LEU 19 N -2.94 4.31 0.00 -0.37 1.43 -1.26 -1.07 118.68 118.78 1xb9 s LEU 19 Ca 0.12 2.30 0.02 0.00 -1.03 0.00 0.00 54.13 55.54 1xb9 s LEU 19 Cb 0.02 -3.90 -0.01 0.00 0.03 0.00 0.00 46.19 42.33 1xb9 s LEU 19 CO -0.01 -0.47 -0.08 0.12 0.23 0.00 0.00 176.35 176.14 1xb9 s PHE 20 N -1.36 0.70 0.13 0.29 5.36 -0.21 -4.60 117.98 118.29 1xb9 s PHE 20 Ca 0.53 -0.18 -0.18 0.00 -0.96 0.00 0.00 56.93 56.14 1xb9 s PHE 20 Cb -0.30 -0.44 0.04 0.00 -0.34 0.00 0.00 43.02 41.98 1xb9 s PHE 20 CO 0.39 -0.01 0.45 0.20 -1.46 0.00 0.00 175.22 174.78 1xb9 s GLY 21 N -0.37 -0.35 0.18 13.12 0.00 -1.26 -0.91 107.32 117.72 1xb9 s GLY 21 Ca 0.02 0.09 -0.20 0.00 0.00 0.00 0.00 44.72 44.62 1xb9 s GLY 21 CO -0.00 -0.19 0.57 0.00 0.00 0.00 0.00 173.10 173.48 1xb9 s GLU 23 N -3.82 2.12 -0.07 0.00 2.12 -1.26 -1.44 118.70 116.35 1xb9 s GLU 23 Ca 0.05 -0.55 0.03 0.00 0.36 0.00 0.00 54.97 54.86 1xb9 s GLU 23 Cb -0.01 -1.71 -0.02 0.00 0.26 0.00 0.00 34.13 32.65 1xb9 s GLU 23 CO -0.07 0.05 -0.16 -0.51 -0.54 0.00 0.00 175.26 174.03 1xb9 s LEU 24 N 0.65 2.63 0.08 2.70 1.43 0.24 -4.90 118.68 121.51 1xb9 s LEU 24 Ca -0.14 -0.27 -0.09 0.00 -1.03 0.00 0.00 54.13 52.60 1xb9 s LEU 24 Cb -0.16 -1.54 -0.00 0.00 0.03 0.00 0.00 46.19 44.52 1xb9 s LEU 24 CO 0.04 0.29 0.20 -1.59 0.23 0.00 0.00 176.35 175.52 1xb9 s LYS 25 N -0.42 0.83 0.34 1.70 -2.85 0.26 -0.23 119.74 119.37 1xb9 s LYS 25 Ca 0.05 -0.91 0.12 0.00 -1.00 0.00 0.00 55.97 54.23 1xb9 s LYS 25 Cb -0.12 0.34 1.07 0.00 -2.06 0.00 0.00 37.83 37.05 1xb9 s LYS 25 CO 0.02 -0.26 1.60 0.00 0.10 0.00 0.00 175.35 176.81 1xb9 h ALA 26 N 2.82 1.76 -0.01 0.59 0.00 -1.68 -1.29 119.26 121.46 1xb9 h ALA 26 Ca -0.34 0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1xb9 h ALA 26 Cb 1.20 0.36 0.00 0.00 0.00 0.00 0.00 17.79 19.35 1xb9 h ALA 26 CO 0.55 -0.73 -0.46 -0.25 0.00 0.00 0.00 179.25 178.36 1xb9 n ASP 27 N -5.28 1.55 -3.55 0.00 8.00 -1.26 -4.38 116.55 111.64 1xb9 n ASP 27 Ca 0.31 -1.22 -0.29 0.00 0.71 0.00 0.00 54.79 54.30 1xb9 n ASP 27 Cb 1.02 0.41 -0.15 0.00 -0.02 0.00 0.00 41.12 42.38 1xb9 n ASP 27 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1xb9 s LYS 28 N -2.56 0.21 0.06 -1.24 2.47 -0.53 -5.05 119.74 113.10 1xb9 s LYS 28 Ca 0.19 -0.55 0.25 0.00 -1.56 0.00 0.00 55.97 54.31 1xb9 s LYS 28 Cb 0.18 -1.18 0.59 0.00 -1.46 0.00 0.00 37.83 35.96 1xb9 s LYS 28 CO 0.59 -1.02 1.49 1.63 0.16 0.00 0.00 175.35 178.20 1xb9 n LYS 29 N 5.23 0.13 -4.34 4.03 5.02 -0.93 -0.57 118.16 126.73 1xb9 n LYS 29 Ca -0.06 0.05 -0.19 0.00 -2.02 0.00 0.00 58.31 56.09 1xb9 n LYS 29 Cb 0.42 -1.59 -0.14 0.00 -0.02 0.00 0.00 35.03 33.70 1xb9 n LYS 29 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1xb9 s GLU 30 N -3.07 0.82 -0.08 1.97 2.02 -1.26 -0.93 118.70 118.18 1xb9 s GLU 30 Ca 0.10 -0.57 0.02 0.00 0.02 0.00 0.00 54.97 54.54 1xb9 s GLU 30 Cb 0.16 -0.78 0.01 0.00 0.10 0.00 0.00 34.13 33.62 1xb9 s GLU 30 CO 0.67 0.20 -0.14 -0.47 0.02 0.00 0.00 175.26 175.55 1xb9 s TYR 31 N -0.63 1.63 -0.33 1.61 5.04 0.22 -4.99 117.35 119.90 1xb9 s TYR 31 Ca 0.01 -0.64 -0.10 0.00 -2.44 0.00 0.00 57.07 53.90 1xb9 s TYR 31 Cb -0.06 -1.18 0.00 0.00 0.35 0.00 0.00 41.96 41.07 1xb9 s TYR 31 CO 0.00 -0.32 0.17 0.45 -1.34 0.00 0.00 175.55 174.51 1xb9 s SER 32 N 0.71 5.59 -0.37 4.32 0.15 -1.26 -0.59 113.70 122.24 1xb9 s SER 32 Ca -0.13 -0.68 -0.17 0.00 0.70 0.00 0.00 55.95 55.67 1xb9 s SER 32 Cb -0.16 -2.00 0.00 0.00 -1.71 0.00 0.00 66.02 62.15 1xb9 s SER 32 CO 0.03 -0.25 0.42 0.12 1.20 0.00 0.00 173.24 174.76 1xb9 s PHE 33 N 1.59 3.19 0.15 3.44 5.36 0.12 -5.00 117.98 126.83 1xb9 s PHE 33 Ca 0.04 -0.11 -0.01 0.00 -0.96 0.00 0.00 56.93 55.88 1xb9 s PHE 33 Cb -0.18 -2.81 -0.04 0.00 -0.34 0.00 0.00 43.02 39.65 1xb9 s PHE 33 CO 0.06 -0.56 0.07 -1.59 -1.46 0.00 0.00 175.22 171.75 1xb9 s LYS 34 N 2.14 1.02 -0.00 10.12 -2.85 -1.26 -1.20 119.74 127.71 1xb9 s LYS 34 Ca 0.13 -1.50 0.01 0.00 -1.00 0.00 0.00 55.97 53.61 1xb9 s LYS 34 Cb -0.16 0.20 -0.00 0.00 -2.06 0.00 0.00 37.83 35.80 1xb9 s LYS 34 CO 0.13 -0.28 -0.04 0.08 0.10 0.00 0.00 175.35 175.33 1xb9 s VAL 35 N -4.04 0.35 -0.04 1.79 1.01 -1.26 -5.09 120.40 113.12 1xb9 s VAL 35 Ca 0.28 -0.18 -0.30 0.00 0.00 0.00 0.00 61.98 61.78 1xb9 s VAL 35 Cb 0.07 -0.30 -0.04 0.00 0.00 0.00 0.00 36.38 36.12 1xb9 s VAL 35 CO 0.05 0.10 1.24 -1.61 0.00 0.00 0.00 175.10 174.87 1xb9 s GLU 36 N -0.08 4.34 0.10 2.72 8.01 -1.26 -5.01 118.70 127.53 1xb9 s GLU 36 Ca 0.01 1.73 -0.36 0.00 0.01 0.00 0.00 54.97 56.37 1xb9 s GLU 36 Cb -0.02 -3.54 -0.17 0.00 -4.31 0.00 0.00 34.13 26.08 1xb9 s GLU 36 CO -0.00 -0.46 1.18 -0.25 0.01 0.00 0.00 175.26 175.74 1xb9 n ASP 37 N 5.14 1.02 0.06 -0.19 8.00 -1.26 -5.11 116.55 124.21 1xb9 n ASP 37 Ca 0.11 1.14 0.00 0.00 0.71 0.00 0.00 54.79 56.75 1xb9 n ASP 37 Cb 0.46 -1.12 0.00 0.00 -0.02 0.00 0.00 41.12 40.43 1xb9 n ASP 37 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1xb9 n ASP 38 N 2.11 0.42 -4.23 -2.24 5.68 -1.26 -5.28 116.55 111.75 1xb9 n ASP 38 Ca 0.18 0.20 -0.34 0.00 -0.50 0.00 0.00 54.79 54.33 1xb9 n ASP 38 Cb 0.19 -0.03 -0.15 0.00 -1.14 0.00 0.00 41.12 39.99 1xb9 n ASP 38 CO 0.00 0.00 0.00 -0.70 -1.33 0.00 0.00 177.20 175.17 1xb9 s GLU 41 N -1.69 3.20 0.02 0.11 2.12 -0.66 -5.22 118.70 116.58 1xb9 s GLU 41 Ca 0.00 -0.73 0.07 0.00 0.36 0.00 0.00 54.97 54.67 1xb9 s GLU 41 Cb 0.00 -2.73 -0.02 0.00 0.26 0.00 0.00 34.13 31.64 1xb9 s GLU 41 CO 0.00 -0.12 -0.22 -1.01 -0.54 0.00 0.00 175.26 173.37 1xb9 s HIS 42 N 1.17 1.93 0.07 5.30 3.76 -1.26 0.16 115.29 126.42 1xb9 s HIS 42 Ca 0.01 -0.38 0.06 0.00 -0.15 0.00 0.00 55.06 54.60 1xb9 s HIS 42 Cb -0.14 -1.18 -0.03 0.00 1.11 0.00 0.00 32.58 32.34 1xb9 s HIS 42 CO -0.05 0.06 -0.15 -0.65 -0.85 0.00 0.00 174.74 173.09 1xb9 s GLN 43 N -0.96 0.89 -0.32 1.40 -1.52 -0.80 -4.38 119.66 113.96 1xb9 s GLN 43 Ca 0.08 -0.94 -0.13 0.00 -1.95 0.00 0.00 55.36 52.43 1xb9 s GLN 43 Cb -0.09 -0.94 -0.03 0.00 -0.22 0.00 0.00 33.01 31.74 1xb9 s GLN 43 CO 0.01 0.22 0.24 -1.17 -0.25 0.00 0.00 175.29 174.34 1xb9 s LEU 44 N -1.63 4.37 -0.49 2.90 2.96 0.11 -0.53 118.68 126.38 1xb9 s LEU 44 Ca 0.00 -0.28 -0.16 0.00 -0.22 0.00 0.00 54.13 53.47 1xb9 s LEU 44 Cb -0.10 -2.16 0.09 0.00 0.50 0.00 0.00 46.19 44.52 1xb9 s LEU 44 CO 0.02 -0.20 0.44 -0.55 -1.32 0.00 0.00 176.35 174.75 1xb9 s SER 45 N 1.73 6.16 0.30 3.68 0.15 0.20 -0.60 113.70 125.32 1xb9 s SER 45 Ca 0.07 -1.43 -0.29 0.00 0.70 0.00 0.00 55.95 55.01 1xb9 s SER 45 Cb -0.17 -2.20 -0.09 0.00 -1.71 0.00 0.00 66.02 61.85 1xb9 s SER 45 CO 0.11 -0.73 1.09 -0.76 1.20 0.00 0.00 173.24 174.15 1xb9 s LEU 46 N 1.71 4.49 0.05 3.45 1.43 0.24 -0.70 118.68 129.35 1xb9 s LEU 46 Ca 0.05 2.24 -0.00 0.00 -1.03 0.00 0.00 54.13 55.38 1xb9 s LEU 46 Cb -0.25 -3.71 -0.00 0.00 0.03 0.00 0.00 46.19 42.25 1xb9 s LEU 46 CO 0.06 -0.20 -0.01 0.54 0.23 0.00 0.00 176.35 176.98 1xb9 n ARG 47 N 1.00 0.01 -4.16 1.70 5.12 -0.31 -1.12 116.66 118.89 1xb9 n ARG 47 Ca -0.00 0.00 -0.17 0.00 -1.93 0.00 0.00 57.85 55.75 1xb9 n ARG 47 Cb 0.45 -0.29 -0.12 0.00 -1.16 0.00 0.00 32.46 31.35 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 -1.55 1.02 -0.14 0.55 -4.23 -1.02 0.06 115.64 110.32 1xb9 s THR 48 Ca -0.00 -1.37 0.01 0.00 -1.18 0.00 0.00 61.69 59.15 1xb9 s THR 48 Cb 0.00 -1.10 0.00 0.00 1.34 0.00 0.00 72.50 72.74 1xb9 s THR 48 CO 0.01 -0.32 -0.18 -0.69 -0.54 0.00 0.00 174.62 172.89 1xb9 s VAL 49 N -1.58 2.47 0.06 2.29 1.01 0.03 -0.95 120.40 123.73 1xb9 s VAL 49 Ca -0.01 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.14 1xb9 s VAL 49 Cb -0.08 -2.02 -0.03 0.00 0.00 0.00 0.00 36.38 34.25 1xb9 s VAL 49 CO 0.02 0.53 -0.06 -0.94 0.00 0.00 0.00 175.10 174.65 1xb9 s SER 50 N 0.71 0.77 -0.12 3.32 1.04 -0.20 -0.85 113.70 118.38 1xb9 s SER 50 Ca -0.08 -0.77 -0.06 0.00 0.48 0.00 0.00 55.95 55.52 1xb9 s SER 50 Cb -0.16 0.10 -0.04 0.00 0.10 0.00 0.00 66.02 66.02 1xb9 s SER 50 CO 0.01 -0.38 0.11 -0.76 0.98 0.00 0.00 173.24 173.21 1xb9 s LEU 51 N -2.26 4.22 0.89 2.42 1.43 -0.11 -0.52 118.68 124.75 1xb9 s LEU 51 Ca -0.01 0.39 -0.12 0.00 -1.03 0.00 0.00 54.13 53.36 1xb9 s LEU 51 Cb -0.02 -2.02 0.12 0.00 0.03 0.00 0.00 46.19 44.31 1xb9 s LEU 51 CO -0.03 0.39 1.12 -0.83 0.23 0.00 0.00 176.35 177.23 1xb9 s GLY 52 N -0.94 1.59 0.55 -3.19 0.00 -0.72 -4.95 107.32 99.66 1xb9 s GLY 52 Ca 0.14 -0.38 0.33 0.00 0.00 0.00 0.00 44.72 44.82 1xb9 s GLY 52 CO 0.03 0.14 2.03 0.00 0.00 0.00 0.00 173.10 175.31 1xb9 h ALA 53 N -1.44 1.04 -0.11 3.20 0.00 -1.97 -2.71 119.26 117.27 1xb9 h ALA 53 Ca -0.50 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1xb9 h ALA 53 Cb 1.31 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1xb9 h ALA 53 CO 0.60 0.06 0.00 -1.13 0.00 0.00 0.00 179.25 178.78 1xb9 n SER 54 N -3.19 2.84 -4.61 0.00 3.41 -1.26 -4.91 113.62 105.90 1xb9 n SER 54 Ca -0.00 -1.87 -0.46 0.00 -0.26 0.00 0.00 58.87 56.28 1xb9 n SER 54 Cb 0.28 -0.06 -0.02 0.00 -0.26 0.00 0.00 64.21 64.15 1xb9 n SER 54 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xb9 n ALA 55 N 1.18 -0.01 -1.33 7.33 0.00 -1.02 -4.75 120.51 121.90 1xb9 n ALA 55 Ca 0.13 0.41 -0.33 0.00 0.00 0.00 0.00 53.44 53.65 1xb9 n ALA 55 Cb 0.52 -2.09 0.09 0.00 0.00 0.00 0.00 19.45 17.97 1xb9 n ALA 55 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1xb9 s LYS 56 N -1.03 2.25 -1.27 0.00 1.02 -1.26 -4.90 119.74 114.55 1xb9 s LYS 56 Ca 0.64 1.58 -0.13 0.00 0.02 0.00 0.00 55.97 58.08 1xb9 s LYS 56 Cb -0.72 -1.87 0.14 0.00 -0.52 0.00 0.00 37.83 34.86 1xb9 s LYS 56 CO 0.56 -1.71 1.68 -3.47 -0.92 0.00 0.00 175.35 171.49 1xb9 n ASP 57 N -2.83 5.03 -3.98 2.83 4.64 -1.26 -4.65 116.55 116.33 1xb9 n ASP 57 Ca 0.12 -3.00 -0.10 0.00 -1.38 0.00 0.00 54.79 50.44 1xb9 n ASP 57 Cb 0.51 -1.58 -0.06 0.00 -1.04 0.00 0.00 41.12 38.95 1xb9 n ASP 57 CO 0.00 0.00 0.00 -1.83 -0.82 0.00 0.00 177.20 174.55 1xb9 s GLU 58 N 1.78 1.35 0.00 -0.67 -1.05 -1.26 -4.95 118.70 113.90 1xb9 s GLU 58 Ca 0.44 -1.22 -0.30 0.00 -0.15 0.00 0.00 54.97 53.73 1xb9 s GLU 58 Cb 0.03 0.42 -0.04 0.00 -0.44 0.00 0.00 34.13 34.10 1xb9 s GLU 58 CO 0.01 -0.53 1.19 -1.17 0.95 0.00 0.00 175.26 175.70 1xb9 s LEU 59 N -3.00 4.33 -0.19 1.83 1.98 -1.26 -4.47 118.68 117.90 1xb9 s LEU 59 Ca 0.21 1.90 -0.05 0.00 -2.89 0.00 0.00 54.13 53.30 1xb9 s LEU 59 Cb 0.02 -3.57 -0.03 0.00 0.66 0.00 0.00 46.19 43.27 1xb9 s LEU 59 CO 0.05 -0.51 -0.01 -1.00 -1.89 0.00 0.00 176.35 172.99 1xb9 s HIS 60 N 1.59 3.04 -0.15 5.38 3.76 0.20 -3.94 115.29 125.17 1xb9 s HIS 60 Ca 0.57 -0.41 -0.01 0.00 -0.15 0.00 0.00 55.06 55.07 1xb9 s HIS 60 Cb -0.27 -2.05 -0.01 0.00 1.11 0.00 0.00 32.58 31.36 1xb9 s HIS 60 CO 0.26 -0.18 -0.13 0.08 -0.85 0.00 0.00 174.74 173.92 1xb9 s VAL 61 N 0.83 2.95 -0.07 -0.90 1.01 -1.10 -0.43 120.40 122.69 1xb9 s VAL 61 Ca 0.00 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.32 1xb9 s VAL 61 Cb -0.14 -2.26 -0.03 0.00 0.00 0.00 0.00 36.38 33.95 1xb9 s VAL 61 CO 0.02 0.51 -0.09 -0.69 0.00 0.00 0.00 175.10 174.84 1xb9 s VAL 62 N 0.70 3.50 0.15 2.92 1.01 -0.45 -0.54 120.40 127.68 1xb9 s VAL 62 Ca -0.06 -0.55 0.07 0.00 0.00 0.00 0.00 61.98 61.44 1xb9 s VAL 62 Cb -0.15 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 1xb9 s VAL 62 CO 0.02 0.58 -0.15 -1.83 0.00 0.00 0.00 175.10 173.72 1xb9 s GLU 63 N -0.63 1.13 0.11 2.72 -1.05 0.19 -0.39 118.70 120.78 1xb9 s GLU 63 Ca 0.09 -1.34 0.09 0.00 -0.15 0.00 0.00 54.97 53.66 1xb9 s GLU 63 Cb -0.11 -1.03 -0.04 0.00 -0.44 0.00 0.00 34.13 32.51 1xb9 s GLU 63 CO 0.02 0.19 -0.20 0.00 0.95 0.00 0.00 175.26 176.22 1xb9 s ALA 64 N -2.30 2.61 -0.09 -0.84 0.00 0.16 -0.90 121.76 120.40 1xb9 s ALA 64 Ca 0.13 -1.35 -0.01 0.00 0.00 0.00 0.00 51.96 50.73 1xb9 s ALA 64 Cb -0.04 -0.61 0.03 0.00 0.00 0.00 0.00 23.12 22.49 1xb9 s ALA 64 CO 0.04 0.58 -0.03 -2.00 0.00 0.00 0.00 175.76 174.35 1xb9 s GLU 65 N -2.01 1.00 0.18 0.00 2.12 -0.44 -0.71 118.70 118.84 1xb9 s GLU 65 Ca 0.17 -0.05 -0.22 0.00 0.36 0.00 0.00 54.97 55.22 1xb9 s GLU 65 Cb -0.10 -1.21 0.08 0.00 0.26 0.00 0.00 34.13 33.16 1xb9 s GLU 65 CO 0.09 -0.27 1.06 0.20 -0.54 0.00 0.00 175.26 175.79 1xb9 s GLY 66 N 1.77 0.14 -0.08 -1.50 0.00 -0.65 -1.32 107.32 105.69 1xb9 s GLY 66 Ca 0.03 -0.37 -0.30 0.00 0.00 0.00 0.00 44.72 44.09 1xb9 s GLY 66 CO -0.06 2.92 1.08 -0.42 0.00 0.00 0.00 173.10 176.61 1xb9 s ILE 67 N -2.07 4.59 0.94 0.90 -1.09 -1.26 0.34 121.20 123.55 1xb9 s ILE 67 Ca 0.23 1.87 -0.14 0.00 -2.23 0.00 0.00 60.65 60.39 1xb9 s ILE 67 Cb -0.03 -4.20 0.16 0.00 -1.58 0.00 0.00 42.46 36.81 1xb9 s ILE 67 CO 0.05 0.02 1.20 0.54 -1.23 0.00 0.00 174.94 175.52 1xb9 s ASN 68 N 1.21 3.33 0.64 3.58 2.20 0.12 -4.90 114.94 121.13 1xb9 s ASN 68 Ca 0.51 0.69 0.41 0.00 -0.94 0.00 0.00 52.86 53.53 1xb9 s ASN 68 Cb -0.21 -1.05 2.18 0.00 -2.00 0.00 0.00 41.25 40.17 1xb9 s ASN 68 CO 0.20 -2.63 2.30 0.22 -2.94 0.00 0.00 177.10 174.25 1xb9 h TYR 69 N -1.56 0.00 -0.58 1.54 3.20 -1.98 0.82 116.97 118.41 1xb9 h TYR 69 Ca -0.47 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.40 1xb9 h TYR 69 Cb 1.30 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.57 1xb9 h TYR 69 CO -0.39 0.01 0.00 -0.85 -1.64 0.00 0.00 178.16 175.28 1xb9 n GLU 70 N -3.20 3.37 -1.03 1.82 0.28 -1.26 -4.93 120.64 115.70 1xb9 n GLU 70 Ca -0.02 -2.52 -0.01 0.00 -0.16 0.00 0.00 57.16 54.45 1xb9 n GLU 70 Cb 0.11 -1.81 -0.00 0.00 1.43 0.00 0.00 31.44 31.17 1xb9 n GLU 70 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1xb9 n GLY 71 N 1.08 0.48 3.80 -1.84 0.00 0.28 -5.03 105.19 103.96 1xb9 n GLY 71 Ca 0.23 -0.55 -0.33 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.22 3.12 0.19 1.61 1.02 -1.26 -4.83 119.74 118.37 1xb9 s LYS 72 Ca 0.00 -0.45 -0.30 0.00 0.02 0.00 0.00 55.97 55.24 1xb9 s LYS 72 Cb 0.00 -2.90 -0.08 0.00 -0.52 0.00 0.00 37.83 34.34 1xb9 s LYS 72 CO 0.00 0.66 1.10 0.95 -0.92 0.00 0.00 175.35 177.13 1xb9 s THR 73 N -1.20 3.81 0.26 2.17 -4.23 -1.26 -0.70 115.64 114.48 1xb9 s THR 73 Ca 0.23 1.60 0.07 0.00 -1.18 0.00 0.00 61.69 62.41 1xb9 s THR 73 Cb -0.12 -4.02 -0.05 0.00 1.34 0.00 0.00 72.50 69.65 1xb9 s THR 73 CO 0.14 0.29 -0.10 0.27 -0.54 0.00 0.00 174.62 174.68 1xb9 s ILE 74 N -0.39 1.74 -0.19 2.99 -4.36 0.15 -4.90 121.20 116.24 1xb9 s ILE 74 Ca 0.49 -2.17 -0.02 0.00 -0.26 0.00 0.00 60.65 58.68 1xb9 s ILE 74 Cb -0.30 -2.31 -0.01 0.00 1.25 0.00 0.00 42.46 41.10 1xb9 s ILE 74 CO 0.36 -0.40 -0.09 -0.54 0.24 0.00 0.00 174.94 174.51 1xb9 s LYS 75 N -3.68 3.32 -0.02 0.37 1.02 -1.26 -1.63 119.74 117.85 1xb9 s LYS 75 Ca 0.27 -0.67 0.04 0.00 0.02 0.00 0.00 55.97 55.63 1xb9 s LYS 75 Cb 0.02 -2.85 -0.01 0.00 -0.52 0.00 0.00 37.83 34.46 1xb9 s LYS 75 CO 0.10 -0.10 -0.14 0.96 -0.92 0.00 0.00 175.35 175.25 1xb9 s ILE 76 N 1.19 1.16 0.05 2.17 -4.36 0.11 -4.96 121.20 116.56 1xb9 s ILE 76 Ca 0.02 -0.60 -0.31 0.00 -0.26 0.00 0.00 60.65 59.50 1xb9 s ILE 76 Cb -0.14 -0.99 -0.06 0.00 1.25 0.00 0.00 42.46 42.52 1xb9 s ILE 76 CO -0.03 0.34 1.27 0.00 0.24 0.00 0.00 174.94 176.75 1xb9 s ALA 77 N -0.14 3.47 -0.17 2.27 0.00 -1.26 -0.67 121.76 125.27 1xb9 s ALA 77 Ca 0.01 0.88 0.03 0.00 0.00 0.00 0.00 51.96 52.89 1xb9 s ALA 77 Cb -0.08 -3.49 -0.22 0.00 0.00 0.00 0.00 23.12 19.32 1xb9 s ALA 77 CO 0.00 -0.58 0.17 1.28 0.00 0.00 0.00 175.76 176.63 1xb9 n LEU 78 N 4.30 2.03 -3.48 0.00 4.77 0.47 -4.90 117.00 120.20 1xb9 n LEU 78 Ca 0.10 0.09 -0.13 0.00 -0.03 0.00 0.00 56.01 56.05 1xb9 n LEU 78 Cb 0.45 -0.57 -0.03 0.00 -2.33 0.00 0.00 43.42 40.93 1xb9 n LEU 78 CO 0.57 0.75 0.51 0.00 -1.33 0.00 0.00 177.39 177.88 1xb9 s ALA 79 N -2.54 -1.72 -0.09 -1.18 0.00 -1.19 -5.03 121.76 110.01 1xb9 s ALA 79 Ca -0.22 0.92 -0.01 0.00 0.00 0.00 0.00 51.96 52.65 1xb9 s ALA 79 Cb 0.08 0.41 0.03 0.00 0.00 0.00 0.00 23.12 23.63 1xb9 s ALA 79 CO 0.73 -0.61 -0.02 -1.12 0.00 0.00 0.00 175.76 174.74 1xb9 s SER 80 N -2.14 1.85 0.02 0.00 0.01 -1.26 -1.35 113.70 110.85 1xb9 s SER 80 Ca -0.01 -0.19 0.02 0.00 1.31 0.00 0.00 55.95 57.07 1xb9 s SER 80 Cb -0.01 -0.59 -0.02 0.00 0.21 0.00 0.00 66.02 65.62 1xb9 s SER 80 CO -0.05 -0.17 -0.07 -0.76 0.41 0.00 0.00 173.24 172.60 1xb9 s LEU 81 N 1.87 2.16 -0.04 2.44 1.02 0.43 -4.92 118.68 121.64 1xb9 s LEU 81 Ca 0.05 -0.37 0.01 0.00 0.02 0.00 0.00 54.13 53.83 1xb9 s LEU 81 Cb -0.13 -0.20 0.02 0.00 0.02 0.00 0.00 46.19 45.90 1xb9 s LEU 81 CO -0.06 -0.10 -0.02 -0.75 0.02 0.00 0.00 176.35 175.43 1xb9 s LYS 82 N -1.02 0.59 0.28 1.70 2.20 -1.15 -0.63 119.74 121.72 1xb9 s LYS 82 Ca -0.05 -0.02 0.03 0.00 -0.36 0.00 0.00 55.97 55.56 1xb9 s LYS 82 Cb -0.07 -0.67 0.64 0.00 -1.51 0.00 0.00 37.83 36.22 1xb9 s LYS 82 CO 0.00 -0.10 1.77 -1.35 -0.36 0.00 0.00 175.35 175.30 1xb9 h PRO 83 N 7.21 0.66 0.00 4.03 0.11 -1.81 0.26 132.00 142.45 1xb9 h PRO 83 Ca -0.40 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1xb9 h PRO 83 Cb 1.14 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1xb9 h PRO 83 CO 0.47 0.44 0.00 -1.13 -0.21 0.00 0.00 178.00 177.57 1xb9 n SER 84 N -4.83 0.00 -0.04 -2.05 3.41 -1.26 -4.19 113.62 104.66 1xb9 n SER 84 Ca 0.20 0.20 -0.07 0.00 -0.26 0.00 0.00 58.87 58.94 1xb9 n SER 84 Cb 0.51 -0.39 -0.03 0.00 -0.26 0.00 0.00 64.21 64.04 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 -1.39 0.44 -2.74 -3.33 0.31 0.58 -5.00 118.33 107.19 1xb9 n VAL 85 Ca 0.10 -0.14 -0.04 0.00 -0.01 0.00 0.00 64.34 64.25 1xb9 n VAL 85 Cb 0.27 -1.22 0.02 0.00 -0.91 0.00 0.00 33.84 32.00 1xb9 n VAL 85 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1xb9 n GLN 86 N -3.06 0.48 0.17 5.55 7.27 0.58 -5.00 117.38 123.37 1xb9 n GLN 86 Ca -0.15 -1.77 0.03 0.00 0.07 0.00 0.00 57.00 55.18 1xb9 n GLN 86 Cb 0.63 -1.18 0.27 0.00 2.41 0.00 0.00 30.24 32.37 1xb9 n GLN 86 CO 0.00 0.00 0.00 -1.00 0.07 0.00 0.00 177.06 176.13 1xb9 h PRO 87 N 4.71 0.00 -6.64 3.69 0.13 -1.73 -3.05 132.00 129.12 1xb9 h PRO 87 Ca 0.02 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 64.45 1xb9 h PRO 87 Cb 1.11 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 31.97 1xb9 h PRO 87 CO 0.02 0.47 -0.87 0.99 -0.23 0.00 0.00 178.00 178.39 1xb9 s THR 88 N -3.67 2.25 -0.12 1.56 2.01 -1.26 -0.93 115.64 115.47 1xb9 s THR 88 Ca -0.01 -1.21 0.01 0.00 0.31 0.00 0.00 61.69 60.79 1xb9 s THR 88 Cb 0.12 -1.84 0.02 0.00 0.01 0.00 0.00 72.50 70.80 1xb9 s THR 88 CO 0.72 0.46 -0.15 -0.69 -0.69 0.00 0.00 174.62 174.28 1xb9 s VAL 89 N -0.74 1.50 -0.20 3.82 1.01 -0.03 -5.01 120.40 120.75 1xb9 s VAL 89 Ca 0.11 -0.62 -0.16 0.00 0.00 0.00 0.00 61.98 61.31 1xb9 s VAL 89 Cb -0.10 -1.39 -0.04 0.00 0.00 0.00 0.00 36.38 34.85 1xb9 s VAL 89 CO 0.01 0.44 0.40 -0.55 0.00 0.00 0.00 175.10 175.41 1xb9 s SER 90 N 1.17 6.44 0.08 3.32 0.15 -1.26 -0.79 113.70 122.81 1xb9 s SER 90 Ca -0.03 0.52 0.25 0.00 0.70 0.00 0.00 55.95 57.39 1xb9 s SER 90 Cb -0.14 -2.23 0.54 0.00 -1.71 0.00 0.00 66.02 62.48 1xb9 s SER 90 CO -0.05 -0.09 1.47 0.18 1.20 0.00 0.00 173.24 175.96 1xb9 n LEU 91 N 4.53 0.58 -1.19 3.45 4.77 0.11 -4.99 117.00 124.25 1xb9 n LEU 91 Ca -0.08 0.24 -0.12 0.00 -0.03 0.00 0.00 56.01 56.02 1xb9 n LEU 91 Cb 0.51 -0.25 -0.03 0.00 -2.33 0.00 0.00 43.42 41.32 1xb9 n LEU 91 CO 0.40 -0.02 -0.14 0.61 -1.33 0.00 0.00 177.39 176.91 1xb9 n GLY 92 N 1.40 0.52 1.03 -0.72 0.00 -1.23 -4.06 105.19 102.12 1xb9 n GLY 92 Ca 0.05 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.22 0.75 3.48 -0.02 0.00 -0.28 -5.01 105.19 102.89 1xb9 n GLY 93 Ca -0.14 -0.44 -0.43 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.69 2.92 0.07 1.61 5.99 -0.56 -4.76 117.98 120.57 1xb9 s PHE 94 Ca 0.00 -0.33 -0.30 0.00 0.00 0.00 0.00 56.93 56.30 1xb9 s PHE 94 Cb 0.00 -3.81 -0.05 0.00 0.00 0.00 0.00 43.02 39.17 1xb9 s PHE 94 CO 0.00 -1.20 0.96 -1.21 -0.00 0.00 0.00 175.22 173.77 1xb9 s GLU 95 N 3.24 4.64 0.01 10.12 2.02 -1.26 -0.59 118.70 136.88 1xb9 s GLU 95 Ca 0.22 1.42 0.03 0.00 0.02 0.00 0.00 54.97 56.65 1xb9 s GLU 95 Cb -0.16 -3.41 -0.01 0.00 0.10 0.00 0.00 34.13 30.65 1xb9 s GLU 95 CO 0.15 0.12 -0.10 0.42 0.02 0.00 0.00 175.26 175.87 1xb9 s ILE 96 N 0.37 0.75 -0.08 -1.63 1.01 0.23 -4.99 121.20 116.87 1xb9 s ILE 96 Ca 0.48 -0.61 -0.20 0.00 0.00 0.00 0.00 60.65 60.32 1xb9 s ILE 96 Cb -0.22 -0.67 -0.04 0.00 0.01 0.00 0.00 42.46 41.54 1xb9 s ILE 96 CO 0.29 0.06 0.57 -0.89 0.00 0.00 0.00 174.94 174.97 1xb9 s THR 97 N -0.52 5.08 0.85 2.92 2.01 -1.26 -0.71 115.64 124.01 1xb9 s THR 97 Ca 0.01 1.17 -0.10 0.00 0.31 0.00 0.00 61.69 63.07 1xb9 s THR 97 Cb -0.05 -3.91 0.11 0.00 0.01 0.00 0.00 72.50 68.65 1xb9 s THR 97 CO 0.00 0.33 1.12 -2.16 -0.69 0.00 0.00 174.62 173.22 1xb9 s PRO 98 N 0.47 1.58 0.30 4.92 0.04 -1.26 -4.47 135.00 136.57 1xb9 s PRO 98 Ca 0.31 1.37 -0.29 0.00 0.04 0.00 0.00 61.00 62.42 1xb9 s PRO 98 Cb -0.17 -1.80 -0.10 0.00 0.04 0.00 0.00 34.50 32.47 1xb9 s PRO 98 CO 0.14 -2.18 1.25 -2.14 0.04 0.00 0.00 177.00 174.11 1xb9 s PRO 99 N -4.77 4.44 -0.00 0.56 0.02 -1.26 -5.04 135.00 128.94 1xb9 s PRO 99 Ca 0.64 2.08 0.01 0.00 0.02 0.00 0.00 61.00 63.76 1xb9 s PRO 99 Cb -0.20 -3.12 -0.00 0.00 0.02 0.00 0.00 34.50 31.20 1xb9 s PRO 99 CO 0.57 -0.09 -0.03 0.14 -0.33 0.00 0.00 177.00 177.26 1xb9 s VAL 100 N -0.94 0.27 -0.16 3.83 -7.23 -0.34 -4.64 120.40 111.18 1xb9 s VAL 100 Ca 0.49 -0.13 -0.07 0.00 -1.81 0.00 0.00 61.98 60.46 1xb9 s VAL 100 Cb -0.37 -0.24 -0.04 0.00 0.56 0.00 0.00 36.38 36.29 1xb9 s VAL 100 CO 0.47 0.08 0.09 -0.63 -0.31 0.00 0.00 175.10 174.81 1xb9 s ILE 101 N 0.00 5.04 -0.15 -0.62 1.01 -0.43 0.11 121.20 126.16 1xb9 s ILE 101 Ca 0.00 0.05 -0.09 0.00 0.00 0.00 0.00 60.65 60.61 1xb9 s ILE 101 Cb -0.02 -3.24 -0.05 0.00 0.01 0.00 0.00 42.46 39.16 1xb9 s ILE 101 CO -0.00 0.52 0.17 -0.76 0.00 0.00 0.00 174.94 174.86 1xb9 s LEU 102 N -0.15 4.31 -0.03 2.97 1.43 0.24 -1.32 118.68 126.12 1xb9 s LEU 102 Ca 0.08 0.40 0.02 0.00 -1.03 0.00 0.00 54.13 53.61 1xb9 s LEU 102 Cb -0.12 -2.14 0.01 0.00 0.03 0.00 0.00 46.19 43.97 1xb9 s LEU 102 CO 0.01 0.28 -0.08 -0.60 0.23 0.00 0.00 176.35 176.19 1xb9 s ARG 103 N -0.31 0.93 -0.34 1.70 3.52 -0.08 -0.61 118.95 123.76 1xb9 s ARG 103 Ca 0.13 -0.24 -0.26 0.00 -0.13 0.00 0.00 55.73 55.23 1xb9 s ARG 103 Cb -0.12 -0.88 0.01 0.00 -1.56 0.00 0.00 34.95 32.41 1xb9 s ARG 103 CO 0.02 0.05 0.93 -1.17 -0.81 0.00 0.00 175.30 174.31 1xb9 s LEU 104 N 0.43 4.01 0.07 -0.88 0.20 -0.10 0.55 118.68 122.95 1xb9 s LEU 104 Ca -0.06 0.71 0.22 0.00 0.69 0.00 0.00 54.13 55.69 1xb9 s LEU 104 Cb -0.11 -3.28 -0.18 0.00 -0.43 0.00 0.00 46.19 42.19 1xb9 s LEU 104 CO 0.01 -0.80 0.74 0.29 -0.29 0.00 0.00 176.35 176.29 1xb9 n LYS 105 N 6.65 0.62 -3.48 1.98 4.76 0.30 -4.95 118.16 124.04 1xb9 n LYS 105 Ca 0.07 -0.06 -0.14 0.00 -2.87 0.00 0.00 58.31 55.32 1xb9 n LYS 105 Cb 0.48 -1.65 -0.04 0.00 -1.84 0.00 0.00 35.03 31.98 1xb9 n LYS 105 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1xb9 s SER 106 N -4.83 -0.57 0.00 4.39 1.04 -1.23 -4.88 113.70 107.63 1xb9 s SER 106 Ca -0.04 0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.68 1xb9 s SER 106 Cb 0.12 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.78 1xb9 s SER 106 CO 0.86 -0.76 0.00 0.61 0.98 0.00 0.00 173.24 174.93 1xb9 n GLY 107 N 0.19 1.74 0.17 7.32 0.00 -1.25 -2.69 105.19 110.65 1xb9 n GLY 107 Ca -0.16 -1.94 0.07 0.00 0.00 0.00 0.00 46.02 43.99 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 0.00 -2.23 1.61 4.64 -1.92 -3.41 113.55 112.24 1xb9 h SER 108 Ca 0.00 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.36 1xb9 h SER 108 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1xb9 h SER 108 CO 0.00 0.26 -0.05 0.61 -0.87 0.00 0.00 176.83 176.79 1xb9 n GLY 109 N 1.18 -1.42 3.78 -0.77 0.00 -1.26 -2.12 105.19 104.58 1xb9 n GLY 109 Ca 0.02 -1.16 -0.37 0.00 0.00 0.00 0.00 46.02 44.51 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 -0.25 4.04 -0.08 1.61 0.04 -1.26 -3.54 135.00 135.55 1xb9 s PRO 110 Ca 0.00 1.60 0.02 0.00 0.04 0.00 0.00 61.00 62.66 1xb9 s PRO 110 Cb 0.00 -2.51 -0.02 0.00 0.04 0.00 0.00 34.50 32.01 1xb9 s PRO 110 CO 0.00 -0.27 -0.13 0.08 0.04 0.00 0.00 177.00 176.72 1xb9 s VAL 111 N -1.62 3.11 0.05 -0.36 1.01 0.68 -1.75 120.40 121.52 1xb9 s VAL 111 Ca 0.59 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 61.92 1xb9 s VAL 111 Cb -0.24 -2.25 -0.04 0.00 0.00 0.00 0.00 36.38 33.84 1xb9 s VAL 111 CO 0.30 0.57 0.01 -0.31 0.00 0.00 0.00 175.10 175.67 1xb9 s TYR 112 N -0.32 3.07 -0.07 5.22 1.51 0.32 -0.60 117.35 126.48 1xb9 s TYR 112 Ca 0.03 0.04 0.04 0.00 -1.01 0.00 0.00 57.07 56.17 1xb9 s TYR 112 Cb -0.13 -1.61 0.00 0.00 -0.11 0.00 0.00 41.96 40.11 1xb9 s TYR 112 CO 0.02 0.48 -0.19 0.08 -1.11 0.00 0.00 175.55 174.84 1xb9 s VAL 113 N -1.22 1.62 0.17 0.71 1.01 -0.52 -1.03 120.40 121.14 1xb9 s VAL 113 Ca 0.24 -0.78 0.10 0.00 0.00 0.00 0.00 61.98 61.53 1xb9 s VAL 113 Cb -0.12 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.81 1xb9 s VAL 113 CO 0.15 0.46 -0.21 -0.94 0.00 0.00 0.00 175.10 174.57 1xb9 s SER 114 N 0.35 2.98 0.00 3.32 1.04 -0.12 -1.84 113.70 119.43 1xb9 s SER 114 Ca -0.13 -0.86 0.00 0.00 0.48 0.00 0.00 55.95 55.44 1xb9 s SER 114 Cb -0.16 -0.20 0.00 0.00 0.10 0.00 0.00 66.02 65.77 1xb9 s SER 114 CO 0.05 0.03 0.00 0.61 0.98 0.00 0.00 173.24 174.92 1xb9 n GLY 115 N 0.32 1.26 3.45 7.32 0.00 -0.09 -1.16 105.19 116.29 1xb9 n GLY 115 Ca -0.13 -0.36 -0.30 0.00 0.00 0.00 0.00 46.02 45.23 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 1.77 1.89 -0.25 1.61 -0.21 0.12 -1.05 119.66 123.54 1xb9 s GLN 116 Ca 0.00 -1.09 -0.09 0.00 0.02 0.00 0.00 55.36 54.20 1xb9 s GLN 116 Cb 0.00 -2.12 -0.04 0.00 1.00 0.00 0.00 33.01 31.85 1xb9 s GLN 116 CO 0.00 0.51 0.12 -1.58 -2.12 0.00 0.00 175.29 172.22 1xb9 s HIS 117 N -1.01 3.17 -0.04 0.91 5.65 -0.23 0.61 115.29 124.35 1xb9 s HIS 117 Ca 0.16 -0.13 -0.01 0.00 0.25 0.00 0.00 55.06 55.33 1xb9 s HIS 117 Cb -0.10 -2.28 -0.04 0.00 -1.18 0.00 0.00 32.58 28.98 1xb9 s HIS 117 CO 0.07 -0.21 0.03 -0.51 -0.65 0.00 0.00 174.74 173.47 1xb9 s LEU 118 N 1.52 3.68 -0.06 8.88 1.43 0.31 -1.58 118.68 132.85 1xb9 s LEU 118 Ca 0.06 0.11 -0.02 0.00 -1.03 0.00 0.00 54.13 53.25 1xb9 s LEU 118 Cb -0.15 -2.02 0.03 0.00 0.03 0.00 0.00 46.19 44.08 1xb9 s LEU 118 CO 0.06 0.32 0.03 -0.69 0.23 0.00 0.00 176.35 176.30 1xb9 s VAL 119 N -1.05 0.17 0.00 -1.59 1.01 -0.58 -1.91 120.40 116.45 1xb9 s VAL 119 Ca 0.18 0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.41 1xb9 s VAL 119 Cb -0.12 -0.37 0.00 0.00 0.00 0.00 0.00 36.38 35.89 1xb9 s VAL 119 CO 0.08 0.22 0.48 0.00 0.00 0.00 0.00 175.10 175.89