#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 1.32 -0.06 4.33 -0.21 -0.41 -4.97 119.66 119.66 1xb9 s GLN 16 Ca 0.00 -1.36 -0.01 0.00 0.02 0.00 0.00 55.36 54.01 1xb9 s GLN 16 Cb 0.00 -1.59 0.03 0.00 1.00 0.00 0.00 33.01 32.45 1xb9 s GLN 16 CO 0.00 0.35 -0.01 1.21 -2.12 0.00 0.00 175.29 174.72 1xb9 s ASN 17 N -2.34 1.39 0.22 5.90 2.47 -1.26 -1.08 114.94 120.25 1xb9 s ASN 17 Ca 0.14 -0.09 0.07 0.00 0.42 0.00 0.00 52.86 53.40 1xb9 s ASN 17 Cb -0.08 -0.43 -0.05 0.00 -1.45 0.00 0.00 41.25 39.24 1xb9 s ASN 17 CO 0.07 -0.16 -0.12 -0.36 -3.72 0.00 0.00 177.10 172.81 1xb9 s PHE 18 N 1.70 1.76 0.68 0.43 0.40 -0.40 -4.95 117.98 117.60 1xb9 s PHE 18 Ca 0.01 -0.62 -0.15 0.00 -0.60 0.00 0.00 56.93 55.57 1xb9 s PHE 18 Cb -0.13 -0.88 0.01 0.00 0.51 0.00 0.00 43.02 42.54 1xb9 s PHE 18 CO -0.04 0.32 1.15 -0.51 0.70 0.00 0.00 175.22 176.84 1xb9 s LEU 19 N -3.35 3.37 -0.06 -0.37 1.43 -1.26 -0.34 118.68 118.11 1xb9 s LEU 19 Ca 0.24 2.14 -0.05 0.00 -1.03 0.00 0.00 54.13 55.44 1xb9 s LEU 19 Cb 0.01 -4.57 0.02 0.00 0.03 0.00 0.00 46.19 41.68 1xb9 s LEU 19 CO 0.08 -1.86 0.15 0.12 0.23 0.00 0.00 176.35 175.07 1xb9 s PHE 20 N -2.18 -0.17 0.08 0.29 5.36 -0.02 -4.52 117.98 116.82 1xb9 s PHE 20 Ca 0.70 0.44 -0.20 0.00 -0.96 0.00 0.00 56.93 56.91 1xb9 s PHE 20 Cb -0.24 0.02 0.05 0.00 -0.34 0.00 0.00 43.02 42.51 1xb9 s PHE 20 CO 0.42 -0.11 0.48 0.20 -1.46 0.00 0.00 175.22 174.76 1xb9 s GLY 21 N 0.42 -0.39 0.17 13.12 0.00 -1.26 -1.07 107.32 118.31 1xb9 s GLY 21 Ca -0.03 0.37 -0.18 0.00 0.00 0.00 0.00 44.72 44.88 1xb9 s GLY 21 CO -0.02 0.08 0.50 0.00 0.00 0.00 0.00 173.10 173.66 1xb9 s GLU 23 N -3.83 1.96 -0.05 0.00 2.12 -1.26 -1.64 118.70 116.00 1xb9 s GLU 23 Ca 0.06 -0.58 0.05 0.00 0.36 0.00 0.00 54.97 54.86 1xb9 s GLU 23 Cb -0.00 -1.62 -0.01 0.00 0.26 0.00 0.00 34.13 32.76 1xb9 s GLU 23 CO -0.07 0.15 -0.21 -0.51 -0.54 0.00 0.00 175.26 174.08 1xb9 s LEU 24 N 0.33 2.00 0.00 2.70 1.43 0.10 -4.93 118.68 120.30 1xb9 s LEU 24 Ca -0.10 -0.43 -0.02 0.00 -1.03 0.00 0.00 54.13 52.55 1xb9 s LEU 24 Cb -0.14 -1.16 0.01 0.00 0.03 0.00 0.00 46.19 44.92 1xb9 s LEU 24 CO 0.04 0.21 0.13 2.29 0.23 0.00 0.00 176.35 179.24 1xb9 n LYS 25 N 2.99 0.18 -0.33 1.70 2.85 -0.45 -0.47 118.16 124.64 1xb9 n LYS 25 Ca -0.17 -0.46 0.10 0.00 -1.05 0.00 0.00 58.31 56.72 1xb9 n LYS 25 Cb 0.52 0.52 0.22 0.00 -0.65 0.00 0.00 35.03 35.64 1xb9 n LYS 25 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1xb9 h ALA 26 N 1.82 0.95 0.00 0.58 0.00 -1.83 -2.27 119.26 118.52 1xb9 h ALA 26 Ca -0.06 0.33 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1xb9 h ALA 26 Cb 0.23 0.60 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1xb9 h ALA 26 CO 0.08 -0.49 -0.97 -0.25 0.00 0.00 0.00 179.25 177.62 1xb9 n ASP 27 N -5.49 0.62 -3.30 0.00 8.00 -1.26 -4.53 116.55 110.59 1xb9 n ASP 27 Ca 0.19 -0.13 -0.10 0.00 0.71 0.00 0.00 54.79 55.46 1xb9 n ASP 27 Cb 0.63 0.69 -0.05 0.00 -0.02 0.00 0.00 41.12 42.36 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 -3.20 0.65 0.00 -1.24 2.20 -0.89 -5.04 119.74 112.22 1xb9 s LYS 28 Ca 0.04 -0.50 0.27 0.00 -0.36 0.00 0.00 55.97 55.41 1xb9 s LYS 28 Cb 0.14 -0.40 0.83 0.00 -1.51 0.00 0.00 37.83 36.89 1xb9 s LYS 28 CO 0.79 -1.17 1.62 1.63 -0.36 0.00 0.00 175.35 177.87 1xb9 n LYS 29 N 4.50 0.29 -4.53 4.03 5.02 -0.99 -1.34 118.16 125.13 1xb9 n LYS 29 Ca 0.09 -0.14 -0.21 0.00 -2.02 0.00 0.00 58.31 56.04 1xb9 n LYS 29 Cb 0.49 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.86 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 -2.80 1.00 -0.09 1.97 2.02 -1.26 -0.62 118.70 118.92 1xb9 s GLU 30 Ca 0.18 -0.49 0.04 0.00 0.02 0.00 0.00 54.97 54.71 1xb9 s GLU 30 Cb 0.19 -0.98 0.00 0.00 0.10 0.00 0.00 34.13 33.44 1xb9 s GLU 30 CO 0.59 0.26 -0.21 -0.47 0.02 0.00 0.00 175.26 175.45 1xb9 s TYR 31 N -0.38 2.31 -0.27 1.61 5.04 0.68 -5.00 117.35 121.34 1xb9 s TYR 31 Ca 0.04 -0.94 -0.07 0.00 -2.44 0.00 0.00 57.07 53.66 1xb9 s TYR 31 Cb -0.05 -1.57 -0.01 0.00 0.35 0.00 0.00 41.96 40.68 1xb9 s TYR 31 CO -0.00 -0.39 0.07 0.45 -1.34 0.00 0.00 175.55 174.34 1xb9 s SER 32 N 0.42 5.10 -0.33 4.32 0.15 -1.26 -1.37 113.70 120.72 1xb9 s SER 32 Ca -0.18 -0.49 -0.13 0.00 0.70 0.00 0.00 55.95 55.85 1xb9 s SER 32 Cb -0.17 -1.89 -0.02 0.00 -1.71 0.00 0.00 66.02 62.22 1xb9 s SER 32 CO 0.08 -0.12 0.27 0.12 1.20 0.00 0.00 173.24 174.78 1xb9 s PHE 33 N 1.55 3.22 -0.02 3.44 5.36 0.06 -4.99 117.98 126.60 1xb9 s PHE 33 Ca 0.04 -0.12 0.01 0.00 -0.96 0.00 0.00 56.93 55.90 1xb9 s PHE 33 Cb -0.16 -2.51 0.01 0.00 -0.34 0.00 0.00 43.02 40.02 1xb9 s PHE 33 CO 0.03 -0.35 -0.03 0.15 -1.46 0.00 0.00 175.22 173.55 1xb9 s LYS 34 N 1.80 0.41 0.00 10.12 1.02 -1.26 -1.80 119.74 130.03 1xb9 s LYS 34 Ca 0.08 -0.09 0.00 0.00 0.02 0.00 0.00 55.97 55.98 1xb9 s LYS 34 Cb -0.17 -0.45 0.00 0.00 -0.52 0.00 0.00 37.83 36.69 1xb9 s LYS 34 CO 0.11 0.01 0.00 0.28 -0.92 0.00 0.00 175.35 174.83 1xb9 n VAL 35 N 3.43 0.00 0.00 3.17 0.31 -1.26 -5.08 118.33 118.89 1xb9 n VAL 35 Ca -0.18 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 1xb9 n VAL 35 Cb 0.55 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.48 1xb9 n VAL 35 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1xb9 n ASP 37 N 0.00 0.00 -1.92 4.52 2.03 -1.26 -5.03 116.55 114.90 1xb9 n ASP 37 Ca 0.00 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.27 1xb9 n ASP 37 Cb 0.00 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.41 1xb9 n ASP 37 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1xb9 n ASP 38 N 0.00 -1.11 -0.28 1.67 5.68 -1.26 -5.03 116.55 116.23 1xb9 n ASP 38 Ca 0.00 -1.75 0.13 0.00 -0.50 0.00 0.00 54.79 52.68 1xb9 n ASP 38 Cb 0.00 1.84 0.46 0.00 -1.14 0.00 0.00 41.12 42.28 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 -0.28 1.02 -3.60 0.11 -0.58 -1.26 -4.95 120.64 111.10 1xb9 n GLU 39 Ca -0.04 -0.56 -0.31 0.00 -0.42 0.00 0.00 57.16 55.83 1xb9 n GLU 39 Cb 0.29 -1.49 -0.05 0.00 -0.57 0.00 0.00 31.44 29.63 1xb9 n GLU 39 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 1xb9 s ASN 40 N -2.36 6.51 0.26 1.62 -0.87 -1.26 -4.97 114.94 113.86 1xb9 s ASN 40 Ca 0.29 0.66 -0.28 0.00 -1.57 0.00 0.00 52.86 51.96 1xb9 s ASN 40 Cb 0.20 -2.12 -0.09 0.00 -0.02 0.00 0.00 41.25 39.22 1xb9 s ASN 40 CO 0.46 0.01 0.91 -1.83 -2.57 0.00 0.00 177.10 174.08 1xb9 s GLU 41 N -2.78 4.70 0.02 -0.60 4.04 -0.54 -4.93 118.70 118.61 1xb9 s GLU 41 Ca 0.42 1.36 0.08 0.00 0.04 0.00 0.00 54.97 56.87 1xb9 s GLU 41 Cb -0.12 -3.10 -0.02 0.00 0.02 0.00 0.00 34.13 30.91 1xb9 s GLU 41 CO 0.24 0.44 -0.23 -1.01 -1.84 0.00 0.00 175.26 172.87 1xb9 s HIS 42 N -1.34 2.01 -0.05 4.83 3.76 -1.26 -1.61 115.29 121.63 1xb9 s HIS 42 Ca 0.43 -0.38 -0.03 0.00 -0.15 0.00 0.00 55.06 54.93 1xb9 s HIS 42 Cb -0.23 -1.25 0.02 0.00 1.11 0.00 0.00 32.58 32.24 1xb9 s HIS 42 CO 0.28 0.04 0.12 -0.65 -0.85 0.00 0.00 174.74 173.68 1xb9 s GLN 43 N -0.90 0.10 0.01 1.40 -1.52 -0.44 -4.47 119.66 113.85 1xb9 s GLN 43 Ca 0.09 0.24 -0.16 0.00 -1.95 0.00 0.00 55.36 53.58 1xb9 s GLN 43 Cb -0.09 -0.06 -0.06 0.00 -0.22 0.00 0.00 33.01 32.58 1xb9 s GLN 43 CO 0.01 -0.09 0.46 -1.17 -0.25 0.00 0.00 175.29 174.25 1xb9 s LEU 44 N 0.59 4.48 -0.40 2.90 2.96 -0.02 -0.37 118.68 128.82 1xb9 s LEU 44 Ca -0.04 1.04 0.03 0.00 -0.22 0.00 0.00 54.13 54.94 1xb9 s LEU 44 Cb -0.06 -2.68 0.11 0.00 0.50 0.00 0.00 46.19 44.06 1xb9 s LEU 44 CO -0.03 0.29 0.13 -0.55 -1.32 0.00 0.00 176.35 174.88 1xb9 s SER 45 N -0.99 4.48 0.26 3.68 0.15 0.25 -0.03 113.70 121.51 1xb9 s SER 45 Ca 0.25 -2.42 -0.29 0.00 0.70 0.00 0.00 55.95 54.19 1xb9 s SER 45 Cb -0.17 -1.53 -0.09 0.00 -1.71 0.00 0.00 66.02 62.51 1xb9 s SER 45 CO 0.15 -0.33 1.27 -0.76 1.20 0.00 0.00 173.24 174.77 1xb9 s LEU 46 N 0.54 4.45 0.04 3.45 1.43 0.55 -1.56 118.68 127.57 1xb9 s LEU 46 Ca 0.13 2.48 -0.03 0.00 -1.03 0.00 0.00 54.13 55.68 1xb9 s LEU 46 Cb -0.21 -3.63 -0.01 0.00 0.03 0.00 0.00 46.19 42.36 1xb9 s LEU 46 CO -0.06 -0.45 -0.07 0.54 0.23 0.00 0.00 176.35 176.54 1xb9 n ARG 47 N 1.66 0.10 -4.23 1.70 5.12 0.10 -1.72 116.66 119.40 1xb9 n ARG 47 Ca 0.02 0.04 -0.21 0.00 -1.93 0.00 0.00 57.85 55.78 1xb9 n ARG 47 Cb 0.43 -0.68 -0.12 0.00 -1.16 0.00 0.00 32.46 30.93 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 -2.17 1.42 -0.12 0.55 -4.23 -1.02 0.86 115.64 110.93 1xb9 s THR 48 Ca -0.06 -1.46 0.03 0.00 -1.18 0.00 0.00 61.69 59.02 1xb9 s THR 48 Cb 0.01 -1.34 0.00 0.00 1.34 0.00 0.00 72.50 72.51 1xb9 s THR 48 CO 0.08 -0.16 -0.21 -0.69 -0.54 0.00 0.00 174.62 173.10 1xb9 s VAL 49 N -1.29 2.21 0.03 2.29 1.01 -0.55 -0.29 120.40 123.80 1xb9 s VAL 49 Ca 0.03 -0.95 -0.01 0.00 0.00 0.00 0.00 61.98 61.05 1xb9 s VAL 49 Cb -0.10 -1.87 -0.02 0.00 0.00 0.00 0.00 36.38 34.39 1xb9 s VAL 49 CO 0.03 0.55 -0.00 -0.94 0.00 0.00 0.00 175.10 174.74 1xb9 s SER 50 N 0.55 0.27 -0.04 3.32 1.04 -0.44 -0.82 113.70 117.58 1xb9 s SER 50 Ca -0.13 -0.58 -0.19 0.00 0.48 0.00 0.00 55.95 55.53 1xb9 s SER 50 Cb -0.17 0.14 -0.05 0.00 0.10 0.00 0.00 66.02 66.04 1xb9 s SER 50 CO 0.04 -0.39 0.54 -0.76 0.98 0.00 0.00 173.24 173.65 1xb9 s LEU 51 N -1.82 4.38 0.87 2.42 1.43 0.34 -0.95 118.68 125.35 1xb9 s LEU 51 Ca -0.10 1.03 -0.11 0.00 -1.03 0.00 0.00 54.13 53.92 1xb9 s LEU 51 Cb -0.05 -2.81 0.12 0.00 0.03 0.00 0.00 46.19 43.47 1xb9 s LEU 51 CO -0.03 0.10 1.11 -0.83 0.23 0.00 0.00 176.35 176.93 1xb9 s GLY 52 N -0.04 1.67 0.53 -3.19 0.00 -0.54 -4.95 107.32 100.80 1xb9 s GLY 52 Ca 0.29 0.34 0.21 0.00 0.00 0.00 0.00 44.72 45.56 1xb9 s GLY 52 CO 0.15 0.76 2.07 0.00 0.00 0.00 0.00 173.10 176.08 1xb9 h ALA 53 N -1.57 2.23 -0.43 3.20 0.00 -1.98 -2.17 119.26 118.53 1xb9 h ALA 53 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1xb9 h ALA 53 Cb 1.26 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1xb9 h ALA 53 CO 0.48 -0.33 0.00 -1.13 0.00 0.00 0.00 179.25 178.26 1xb9 n SER 54 N -4.41 3.47 -4.74 0.00 3.41 -1.26 -4.93 113.62 105.15 1xb9 n SER 54 Ca 0.03 -1.99 -0.41 0.00 -0.26 0.00 0.00 58.87 56.24 1xb9 n SER 54 Cb 0.35 -0.28 -0.02 0.00 -0.26 0.00 0.00 64.21 64.00 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 -1.45 3.63 0.62 7.33 0.00 -0.82 -4.79 121.76 126.29 1xb9 s ALA 55 Ca 0.40 1.31 -0.19 0.00 0.00 0.00 0.00 51.96 53.48 1xb9 s ALA 55 Cb 0.23 -3.56 -0.02 0.00 0.00 0.00 0.00 23.12 19.77 1xb9 s ALA 55 CO 0.32 -0.73 1.28 0.21 0.00 0.00 0.00 175.76 176.84 1xb9 s LYS 56 N -0.18 2.72 -1.24 0.00 2.20 -1.26 -4.87 119.74 117.11 1xb9 s LYS 56 Ca 0.60 2.04 -0.19 0.00 -0.36 0.00 0.00 55.97 58.05 1xb9 s LYS 56 Cb -0.41 -1.92 0.00 0.00 -1.51 0.00 0.00 37.83 33.99 1xb9 s LYS 56 CO 0.41 -1.46 1.86 -3.47 -0.36 0.00 0.00 175.35 172.34 1xb9 n ASP 57 N -1.72 4.08 -2.54 1.43 2.03 -1.26 -4.63 116.55 113.93 1xb9 n ASP 57 Ca 0.15 -2.82 -0.10 0.00 0.52 0.00 0.00 54.79 52.53 1xb9 n ASP 57 Cb 0.48 -1.70 -0.01 0.00 -0.72 0.00 0.00 41.12 39.17 1xb9 n ASP 57 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1xb9 n GLU 58 N 8.06 0.70 -2.69 -0.67 0.28 -1.26 -4.95 120.64 120.11 1xb9 n GLU 58 Ca 0.48 -2.08 -0.40 0.00 -0.16 0.00 0.00 57.16 54.99 1xb9 n GLU 58 Cb 0.45 2.20 -0.05 0.00 1.43 0.00 0.00 31.44 35.47 1xb9 n GLU 58 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 1xb9 s LEU 59 N 0.00 4.58 -0.00 -1.84 2.96 -1.26 -4.37 118.68 118.74 1xb9 s LEU 59 Ca 0.19 1.95 0.08 0.00 -0.22 0.00 0.00 54.13 56.13 1xb9 s LEU 59 Cb -0.02 -3.60 -0.02 0.00 0.50 0.00 0.00 46.19 43.04 1xb9 s LEU 59 CO 0.14 0.02 -0.24 -1.00 -1.32 0.00 0.00 176.35 173.95 1xb9 s HIS 60 N -0.70 2.39 -0.10 5.38 3.76 0.87 -3.76 115.29 123.14 1xb9 s HIS 60 Ca 0.44 -0.38 0.01 0.00 -0.15 0.00 0.00 55.06 54.98 1xb9 s HIS 60 Cb -0.26 -1.49 0.02 0.00 1.11 0.00 0.00 32.58 31.96 1xb9 s HIS 60 CO 0.33 0.05 -0.10 0.08 -0.85 0.00 0.00 174.74 174.25 1xb9 s VAL 61 N -0.69 1.11 -0.10 -0.90 1.01 -0.12 -1.12 120.40 119.58 1xb9 s VAL 61 Ca 0.11 -0.39 -0.01 0.00 0.00 0.00 0.00 61.98 61.69 1xb9 s VAL 61 Cb -0.10 -1.07 -0.03 0.00 0.00 0.00 0.00 36.38 35.18 1xb9 s VAL 61 CO 0.00 0.37 -0.05 -0.69 0.00 0.00 0.00 175.10 174.73 1xb9 s VAL 62 N 1.27 3.80 0.16 2.92 1.01 -0.56 -0.37 120.40 128.63 1xb9 s VAL 62 Ca -0.03 -0.42 0.07 0.00 0.00 0.00 0.00 61.98 61.59 1xb9 s VAL 62 Cb -0.14 -2.60 -0.04 0.00 0.00 0.00 0.00 36.38 33.60 1xb9 s VAL 62 CO -0.04 0.56 -0.14 -1.83 0.00 0.00 0.00 175.10 173.66 1xb9 s GLU 63 N -0.41 1.16 -0.02 2.72 -1.05 -0.03 -0.62 118.70 120.45 1xb9 s GLU 63 Ca 0.06 -1.40 0.06 0.00 -0.15 0.00 0.00 54.97 53.55 1xb9 s GLU 63 Cb -0.12 -0.99 -0.02 0.00 -0.44 0.00 0.00 34.13 32.55 1xb9 s GLU 63 CO 0.02 0.18 -0.20 0.00 0.95 0.00 0.00 175.26 176.21 1xb9 s ALA 64 N -2.55 2.43 -0.07 -0.84 0.00 -0.46 -1.14 121.76 119.13 1xb9 s ALA 64 Ca 0.15 -1.08 0.05 0.00 0.00 0.00 0.00 51.96 51.08 1xb9 s ALA 64 Cb -0.03 -0.74 -0.00 0.00 0.00 0.00 0.00 23.12 22.35 1xb9 s ALA 64 CO 0.04 0.55 -0.21 -2.00 0.00 0.00 0.00 175.76 174.14 1xb9 s GLU 65 N -0.81 2.38 -0.06 0.00 2.12 0.15 -0.60 118.70 121.89 1xb9 s GLU 65 Ca 0.11 -0.77 -0.20 0.00 0.36 0.00 0.00 54.97 54.47 1xb9 s GLU 65 Cb -0.10 -1.96 0.07 0.00 0.26 0.00 0.00 34.13 32.40 1xb9 s GLU 65 CO 0.01 0.26 0.90 0.41 -0.54 0.00 0.00 175.26 176.30 1xb9 n GLY 66 N 3.23 0.21 3.86 -1.50 0.00 -0.59 -1.46 105.19 108.93 1xb9 n GLY 66 Ca -0.19 -0.95 -0.35 0.00 0.00 0.00 0.00 46.02 44.54 1xb9 n GLY 66 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xb9 s ILE 67 N -2.01 5.05 0.63 -0.61 -1.09 -1.26 -0.21 121.20 121.69 1xb9 s ILE 67 Ca 0.22 0.51 0.06 0.00 -2.23 0.00 0.00 60.65 59.20 1xb9 s ILE 67 Cb -0.00 -3.66 0.11 0.00 -1.58 0.00 0.00 42.46 37.33 1xb9 s ILE 67 CO -0.02 0.26 0.86 -0.46 -1.23 0.00 0.00 174.94 174.35 1xb9 n ASN 68 N 0.82 1.83 -0.06 3.58 6.94 -0.03 -4.91 115.26 123.43 1xb9 n ASN 68 Ca -0.07 -2.39 -0.03 0.00 -0.02 0.00 0.00 54.58 52.08 1xb9 n ASN 68 Cb 0.52 -0.50 0.21 0.00 -2.36 0.00 0.00 39.78 37.66 1xb9 n ASN 68 CO 0.00 0.00 0.00 0.22 -1.03 0.00 0.00 177.26 176.45 1xb9 h TYR 69 N -0.15 0.71 0.00 -2.53 3.20 -1.98 -0.37 116.97 115.85 1xb9 h TYR 69 Ca -0.29 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.49 1xb9 h TYR 69 Cb 1.23 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 39.30 1xb9 h TYR 69 CO 0.00 0.68 0.00 0.39 -1.64 0.00 0.00 178.16 177.59 1xb9 n GLU 70 N -4.23 0.84 -0.71 1.82 -0.58 -1.26 -4.88 120.64 111.63 1xb9 n GLU 70 Ca 0.02 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.76 1xb9 n GLU 70 Cb 0.29 -1.23 0.00 0.00 -0.57 0.00 0.00 31.44 29.93 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 0.50 0.78 3.75 0.62 0.00 -0.15 -5.04 105.19 105.66 1xb9 n GLY 71 Ca 0.09 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.29 4.59 -0.19 1.61 1.02 -1.26 -4.76 119.74 120.47 1xb9 s LYS 72 Ca 0.00 1.21 -0.29 0.00 0.02 0.00 0.00 55.97 56.91 1xb9 s LYS 72 Cb 0.00 -3.33 0.00 0.00 -0.52 0.00 0.00 37.83 33.98 1xb9 s LYS 72 CO 0.00 0.38 1.06 -0.08 -0.92 0.00 0.00 175.35 175.79 1xb9 s THR 73 N -0.49 4.65 0.30 2.17 -1.32 -1.26 -0.85 115.64 118.84 1xb9 s THR 73 Ca 0.40 1.97 0.06 0.00 -1.21 0.00 0.00 61.69 62.91 1xb9 s THR 73 Cb -0.22 -4.27 -0.06 0.00 -1.51 0.00 0.00 72.50 66.43 1xb9 s THR 73 CO 0.26 -0.12 -0.03 0.27 -2.21 0.00 0.00 174.62 172.79 1xb9 s ILE 74 N 2.88 1.58 -0.09 5.08 -4.36 0.70 -4.92 121.20 122.08 1xb9 s ILE 74 Ca 0.46 -2.09 0.04 0.00 -0.26 0.00 0.00 60.65 58.81 1xb9 s ILE 74 Cb -0.17 -2.58 -0.00 0.00 1.25 0.00 0.00 42.46 40.96 1xb9 s ILE 74 CO 0.10 -0.20 -0.22 -0.54 0.24 0.00 0.00 174.94 174.32 1xb9 s LYS 75 N -3.76 2.74 -0.00 0.37 1.02 -1.26 -1.55 119.74 117.30 1xb9 s LYS 75 Ca 0.32 -0.82 0.05 0.00 0.02 0.00 0.00 55.97 55.54 1xb9 s LYS 75 Cb 0.05 -2.13 -0.01 0.00 -0.52 0.00 0.00 37.83 35.22 1xb9 s LYS 75 CO 0.13 0.20 -0.16 0.96 -0.92 0.00 0.00 175.35 175.57 1xb9 s ILE 76 N 0.27 1.24 -0.42 2.17 -4.36 0.23 -4.98 121.20 115.36 1xb9 s ILE 76 Ca -0.15 -0.75 -0.29 0.00 -0.26 0.00 0.00 60.65 59.20 1xb9 s ILE 76 Cb -0.17 -1.05 0.02 0.00 1.25 0.00 0.00 42.46 42.52 1xb9 s ILE 76 CO 0.07 0.29 1.10 0.00 0.24 0.00 0.00 174.94 176.65 1xb9 s ALA 77 N -0.46 3.29 -0.01 2.27 0.00 -1.26 -1.36 121.76 124.23 1xb9 s ALA 77 Ca 0.06 -0.33 -0.22 0.00 0.00 0.00 0.00 51.96 51.46 1xb9 s ALA 77 Cb -0.06 -3.80 -0.20 0.00 0.00 0.00 0.00 23.12 19.06 1xb9 s ALA 77 CO -0.00 -1.96 1.17 -0.07 0.00 0.00 0.00 175.76 174.89 1xb9 h LEU 78 N 10.77 0.31 -7.00 0.00 3.38 -1.20 -3.48 115.31 118.09 1xb9 h LEU 78 Ca -0.22 -0.65 0.04 0.00 0.09 0.00 0.00 57.88 57.14 1xb9 h LEU 78 Cb 1.06 -0.09 -0.23 0.00 0.09 0.00 0.00 40.66 41.49 1xb9 h LEU 78 CO 1.09 0.91 0.42 0.00 0.09 0.00 0.00 178.44 180.94 1xb9 s ALA 79 N -3.63 -1.90 -0.16 1.53 0.00 -1.14 -5.01 121.76 111.45 1xb9 s ALA 79 Ca -0.15 1.66 0.01 0.00 0.00 0.00 0.00 51.96 53.48 1xb9 s ALA 79 Cb 0.03 -0.82 0.01 0.00 0.00 0.00 0.00 23.12 22.33 1xb9 s ALA 79 CO 0.75 -0.30 -0.19 -1.12 0.00 0.00 0.00 175.76 174.90 1xb9 s SER 80 N -0.61 3.29 0.19 0.00 0.01 -1.26 -1.50 113.70 113.82 1xb9 s SER 80 Ca -0.02 -0.59 0.08 0.00 1.31 0.00 0.00 55.95 56.74 1xb9 s SER 80 Cb -0.02 -1.50 -0.04 0.00 0.21 0.00 0.00 66.02 64.67 1xb9 s SER 80 CO 0.01 0.04 -0.16 -0.76 0.41 0.00 0.00 173.24 172.78 1xb9 s LEU 81 N 1.04 2.51 -0.18 2.44 1.02 -0.28 -4.96 118.68 120.27 1xb9 s LEU 81 Ca -0.01 -0.95 -0.09 0.00 0.02 0.00 0.00 54.13 53.09 1xb9 s LEU 81 Cb -0.14 -0.75 0.06 0.00 0.02 0.00 0.00 46.19 45.38 1xb9 s LEU 81 CO -0.06 -0.11 0.43 -0.75 0.02 0.00 0.00 176.35 175.88 1xb9 s LYS 82 N -3.28 0.40 0.23 1.70 2.20 -1.00 -0.09 119.74 119.90 1xb9 s LYS 82 Ca 0.20 0.84 -0.10 0.00 -0.36 0.00 0.00 55.97 56.55 1xb9 s LYS 82 Cb -0.03 0.03 0.34 0.00 -1.51 0.00 0.00 37.83 36.66 1xb9 s LYS 82 CO 0.07 -0.17 1.64 -1.35 -0.36 0.00 0.00 175.35 175.18 1xb9 h PRO 83 N 7.24 0.07 -0.00 4.03 0.11 -1.82 0.34 132.00 141.97 1xb9 h PRO 83 Ca -0.34 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1xb9 h PRO 83 Cb 1.18 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1xb9 h PRO 83 CO 0.27 0.05 -0.01 -1.13 -0.21 0.00 0.00 178.00 176.96 1xb9 n SER 84 N -5.37 0.22 0.00 -2.05 3.41 -1.26 -4.32 113.62 104.25 1xb9 n SER 84 Ca 0.11 -0.86 0.00 0.00 -0.26 0.00 0.00 58.87 57.86 1xb9 n SER 84 Cb 0.40 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 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 -0.92 0.00 -3.11 -3.33 0.31 -0.18 -5.02 118.33 106.09 1xb9 n VAL 85 Ca 0.21 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.51 1xb9 n VAL 85 Cb 0.18 -1.27 -0.01 0.00 -0.91 0.00 0.00 33.84 31.82 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 -1.99 0.87 0.33 5.55 0.74 0.10 -4.96 119.66 120.31 1xb9 s GLN 86 Ca 0.00 -0.58 0.26 0.00 0.05 0.00 0.00 55.36 55.08 1xb9 s GLN 86 Cb 0.00 -0.06 0.78 0.00 1.10 0.00 0.00 33.01 34.82 1xb9 s GLN 86 CO 0.00 -1.23 1.74 -1.00 -0.55 0.00 0.00 175.29 174.25 1xb9 h PRO 87 N 6.44 0.00 -4.39 1.67 0.13 -1.74 -2.66 132.00 131.45 1xb9 h PRO 87 Ca 0.06 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.89 1xb9 h PRO 87 Cb 1.14 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.02 1xb9 h PRO 87 CO 0.09 0.00 -0.74 0.99 -0.23 0.00 0.00 178.00 178.11 1xb9 s THR 88 N -3.24 0.44 -0.07 1.56 2.01 -1.26 -0.50 115.64 114.58 1xb9 s THR 88 Ca 0.07 -0.57 0.02 0.00 0.31 0.00 0.00 61.69 61.52 1xb9 s THR 88 Cb 0.09 -0.44 0.02 0.00 0.01 0.00 0.00 72.50 72.18 1xb9 s THR 88 CO 0.58 -0.10 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.62 1xb9 s VAL 89 N -0.65 1.00 -0.24 3.82 1.01 -0.00 -5.01 120.40 120.33 1xb9 s VAL 89 Ca -0.03 -0.38 -0.14 0.00 0.00 0.00 0.00 61.98 61.43 1xb9 s VAL 89 Cb -0.05 -0.94 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 1xb9 s VAL 89 CO 0.00 0.33 0.30 -0.55 0.00 0.00 0.00 175.10 175.18 1xb9 s SER 90 N 0.85 6.24 0.30 3.32 0.15 -1.26 -1.49 113.70 121.82 1xb9 s SER 90 Ca -0.11 0.27 0.23 0.00 0.70 0.00 0.00 55.95 57.03 1xb9 s SER 90 Cb -0.15 -2.18 0.14 0.00 -1.71 0.00 0.00 66.02 62.12 1xb9 s SER 90 CO 0.01 -0.07 1.27 -0.07 1.20 0.00 0.00 173.24 175.59 1xb9 h LEU 91 N 8.00 0.00 0.23 3.45 3.38 0.22 -3.49 115.31 127.10 1xb9 h LEU 91 Ca -0.35 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.56 1xb9 h LEU 91 Cb 1.17 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 1xb9 h LEU 91 CO 0.66 0.00 -0.06 0.61 0.09 0.00 0.00 178.44 179.74 1xb9 n GLY 92 N 1.15 0.46 0.78 0.83 0.00 -1.20 -4.10 105.19 103.11 1xb9 n GLY 92 Ca 0.02 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.01 0.75 3.56 -0.02 0.00 -0.70 -4.99 105.19 101.78 1xb9 n GLY 93 Ca -0.03 -0.42 -0.41 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.44 2.36 0.08 1.61 5.99 -0.77 -4.76 117.98 120.05 1xb9 s PHE 94 Ca 0.00 0.08 -0.25 0.00 0.00 0.00 0.00 56.93 56.76 1xb9 s PHE 94 Cb 0.00 -4.59 -0.06 0.00 0.00 0.00 0.00 43.02 38.36 1xb9 s PHE 94 CO 0.00 -1.95 0.77 -1.21 -0.00 0.00 0.00 175.22 172.83 1xb9 s GLU 95 N 5.55 4.52 -0.03 10.12 2.02 -1.26 -0.33 118.70 139.28 1xb9 s GLU 95 Ca 0.38 1.10 0.01 0.00 0.02 0.00 0.00 54.97 56.48 1xb9 s GLU 95 Cb -0.08 -3.34 0.02 0.00 0.10 0.00 0.00 34.13 30.83 1xb9 s GLU 95 CO 0.18 0.36 -0.03 0.42 0.02 0.00 0.00 175.26 176.20 1xb9 s ILE 96 N -0.34 0.42 -0.19 -1.63 1.01 0.96 -4.99 121.20 116.44 1xb9 s ILE 96 Ca 0.38 -0.08 -0.26 0.00 0.00 0.00 0.00 60.65 60.69 1xb9 s ILE 96 Cb -0.21 -0.45 -0.01 0.00 0.01 0.00 0.00 42.46 41.80 1xb9 s ILE 96 CO 0.24 0.19 0.87 -0.89 0.00 0.00 0.00 174.94 175.35 1xb9 s THR 97 N 0.78 4.84 0.62 2.92 2.01 -1.26 -0.84 115.64 124.71 1xb9 s THR 97 Ca -0.09 1.70 -0.17 0.00 0.31 0.00 0.00 61.69 63.43 1xb9 s THR 97 Cb -0.13 -4.17 -0.02 0.00 0.01 0.00 0.00 72.50 68.20 1xb9 s THR 97 CO -0.00 -0.02 1.18 -2.84 -0.69 0.00 0.00 174.62 172.25 1xb9 s PRO 98 N 2.41 2.83 0.39 4.92 0.02 -1.26 -4.56 135.00 139.74 1xb9 s PRO 98 Ca 0.39 1.71 -0.19 0.00 0.02 0.00 0.00 61.00 62.93 1xb9 s PRO 98 Cb -0.16 -1.92 -0.10 0.00 0.02 0.00 0.00 34.50 32.33 1xb9 s PRO 98 CO 0.11 -1.29 0.88 -1.25 -0.33 0.00 0.00 177.00 175.12 1xb9 s PRO 99 N -3.57 4.16 -0.03 5.54 0.04 -1.26 -4.98 135.00 134.91 1xb9 s PRO 99 Ca 0.74 0.98 -0.06 0.00 0.04 0.00 0.00 61.00 62.70 1xb9 s PRO 99 Cb -0.28 -2.27 0.01 0.00 0.04 0.00 0.00 34.50 32.00 1xb9 s PRO 99 CO 0.36 0.03 0.14 0.08 0.04 0.00 0.00 177.00 177.66 1xb9 s VAL 100 N -2.11 0.04 -0.10 -0.36 1.01 -0.74 -4.60 120.40 113.54 1xb9 s VAL 100 Ca 0.59 -0.36 -0.03 0.00 0.00 0.00 0.00 61.98 62.19 1xb9 s VAL 100 Cb -0.10 -0.32 -0.03 0.00 0.00 0.00 0.00 36.38 35.93 1xb9 s VAL 100 CO 0.15 -0.20 0.01 -0.63 0.00 0.00 0.00 175.10 174.43 1xb9 s ILE 101 N -0.66 4.35 -0.12 2.22 1.01 -0.54 -0.76 121.20 126.70 1xb9 s ILE 101 Ca -0.07 -0.22 -0.01 0.00 0.00 0.00 0.00 60.65 60.34 1xb9 s ILE 101 Cb -0.04 -2.85 -0.02 0.00 0.01 0.00 0.00 42.46 39.55 1xb9 s ILE 101 CO 0.01 0.58 -0.08 -0.76 0.00 0.00 0.00 174.94 174.69 1xb9 s LEU 102 N -0.62 3.05 -0.04 2.97 1.43 -0.47 0.32 118.68 125.32 1xb9 s LEU 102 Ca 0.10 -0.16 -0.02 0.00 -1.03 0.00 0.00 54.13 53.02 1xb9 s LEU 102 Cb -0.12 -1.70 0.02 0.00 0.03 0.00 0.00 46.19 44.43 1xb9 s LEU 102 CO 0.02 0.23 0.09 -0.60 0.23 0.00 0.00 176.35 176.33 1xb9 s ARG 103 N -0.03 0.06 -0.60 1.70 3.52 -0.30 -0.23 118.95 123.08 1xb9 s ARG 103 Ca -0.01 0.22 -0.28 0.00 -0.13 0.00 0.00 55.73 55.54 1xb9 s ARG 103 Cb -0.14 -0.10 0.02 0.00 -1.56 0.00 0.00 34.95 33.17 1xb9 s ARG 103 CO 0.03 -0.10 1.39 -1.17 -0.81 0.00 0.00 175.30 174.64 1xb9 s LEU 104 N 0.68 3.35 0.06 -0.88 0.20 0.21 -0.85 118.68 121.45 1xb9 s LEU 104 Ca -0.05 0.12 0.06 0.00 0.69 0.00 0.00 54.13 54.95 1xb9 s LEU 104 Cb -0.07 -2.94 -0.23 0.00 -0.43 0.00 0.00 46.19 42.52 1xb9 s LEU 104 CO -0.03 -1.75 1.06 0.50 -0.29 0.00 0.00 176.35 175.84 1xb9 h LYS 105 N 10.93 0.05 -1.91 1.98 3.64 -1.02 -3.47 116.57 126.76 1xb9 h LYS 105 Ca -0.27 -0.09 -0.03 0.00 -1.27 0.00 0.00 60.65 59.00 1xb9 h LYS 105 Cb 1.08 0.03 -0.21 0.00 -0.41 0.00 0.00 32.23 32.73 1xb9 h LYS 105 CO 1.20 0.90 0.24 -1.54 -2.27 0.00 0.00 179.45 177.99 1xb9 s SER 106 N -6.62 -0.63 0.00 4.20 1.04 -1.18 -4.96 113.70 105.56 1xb9 s SER 106 Ca -0.02 0.87 0.00 0.00 0.48 0.00 0.00 55.95 57.28 1xb9 s SER 106 Cb 0.09 0.76 0.00 0.00 0.10 0.00 0.00 66.02 66.97 1xb9 s SER 106 CO 0.83 -0.45 0.00 0.61 0.98 0.00 0.00 173.24 175.21 1xb9 n GLY 107 N 1.42 2.22 0.27 7.32 0.00 -1.25 -0.95 105.19 114.22 1xb9 n GLY 107 Ca -0.16 -1.73 -0.06 0.00 0.00 0.00 0.00 46.02 44.08 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 0.79 -3.05 1.61 4.64 -1.90 -3.45 113.55 112.18 1xb9 h SER 108 Ca 0.00 -0.05 0.02 0.00 -0.47 0.00 0.00 61.79 61.28 1xb9 h SER 108 Cb 0.00 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 61.89 1xb9 h SER 108 CO 0.00 0.61 -0.02 0.61 -0.87 0.00 0.00 176.83 177.16 1xb9 n GLY 109 N -1.19 -1.75 3.78 -0.77 0.00 -1.26 -2.74 105.19 101.27 1xb9 n GLY 109 Ca 0.05 -1.29 -0.33 0.00 0.00 0.00 0.00 46.02 44.45 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 -0.17 3.03 0.04 1.61 0.04 -1.26 -4.13 135.00 134.16 1xb9 s PRO 110 Ca 0.00 1.31 0.03 0.00 0.04 0.00 0.00 61.00 62.38 1xb9 s PRO 110 Cb 0.00 -1.99 -0.02 0.00 0.04 0.00 0.00 34.50 32.53 1xb9 s PRO 110 CO 0.00 -1.06 -0.09 0.08 0.04 0.00 0.00 177.00 175.97 1xb9 s VAL 111 N -2.39 0.64 0.03 -0.36 1.01 0.38 -1.47 120.40 118.24 1xb9 s VAL 111 Ca 0.66 -1.02 0.08 0.00 0.00 0.00 0.00 61.98 61.69 1xb9 s VAL 111 Cb -0.19 -0.67 -0.02 0.00 0.00 0.00 0.00 36.38 35.50 1xb9 s VAL 111 CO 0.40 -0.29 -0.24 -0.31 0.00 0.00 0.00 175.10 174.66 1xb9 s TYR 112 N -1.21 2.12 -0.01 5.22 1.51 -0.13 0.00 117.35 124.85 1xb9 s TYR 112 Ca -0.07 -0.40 0.07 0.00 -1.01 0.00 0.00 57.07 55.66 1xb9 s TYR 112 Cb -0.09 -1.29 -0.02 0.00 -0.11 0.00 0.00 41.96 40.44 1xb9 s TYR 112 CO 0.01 0.07 -0.23 0.08 -1.11 0.00 0.00 175.55 174.37 1xb9 s VAL 113 N -0.74 2.34 0.05 0.71 1.01 -0.65 -1.33 120.40 121.79 1xb9 s VAL 113 Ca 0.10 -1.06 0.03 0.00 0.00 0.00 0.00 61.98 61.04 1xb9 s VAL 113 Cb -0.09 -1.86 -0.03 0.00 0.00 0.00 0.00 36.38 34.40 1xb9 s VAL 113 CO 0.01 0.54 -0.10 -0.94 0.00 0.00 0.00 175.10 174.61 1xb9 s SER 114 N -0.77 1.12 0.00 3.32 1.04 0.60 -1.53 113.70 117.48 1xb9 s SER 114 Ca 0.11 -0.57 0.00 0.00 0.48 0.00 0.00 55.95 55.96 1xb9 s SER 114 Cb -0.10 0.01 0.00 0.00 0.10 0.00 0.00 66.02 66.03 1xb9 s SER 114 CO 0.00 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.67 1xb9 n GLY 115 N 1.40 0.88 3.39 7.32 0.00 -0.23 0.01 105.19 117.96 1xb9 n GLY 115 Ca -0.22 -0.41 -0.25 0.00 0.00 0.00 0.00 46.02 45.13 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 1.53 1.41 -0.25 1.61 -0.21 -0.60 -0.84 119.66 122.31 1xb9 s GLN 116 Ca 0.00 -1.45 0.02 0.00 0.02 0.00 0.00 55.36 53.95 1xb9 s GLN 116 Cb 0.00 -1.68 0.05 0.00 1.00 0.00 0.00 33.01 32.38 1xb9 s GLN 116 CO 0.00 0.36 -0.11 -1.58 -2.12 0.00 0.00 175.29 171.84 1xb9 s HIS 117 N -1.67 3.17 -0.19 0.91 5.65 0.54 -0.59 115.29 123.11 1xb9 s HIS 117 Ca 0.18 -2.10 -0.09 0.00 0.25 0.00 0.00 55.06 53.30 1xb9 s HIS 117 Cb -0.08 -1.96 -0.05 0.00 -1.18 0.00 0.00 32.58 29.32 1xb9 s HIS 117 CO 0.08 -0.85 0.10 -0.51 -0.65 0.00 0.00 174.74 172.91 1xb9 s LEU 118 N 1.17 4.02 -0.30 8.88 1.43 0.50 -1.28 118.68 133.10 1xb9 s LEU 118 Ca -0.05 0.16 -0.01 0.00 -1.03 0.00 0.00 54.13 53.19 1xb9 s LEU 118 Cb -0.18 -2.03 0.10 0.00 0.03 0.00 0.00 46.19 44.11 1xb9 s LEU 118 CO -0.06 0.18 0.10 -0.69 0.23 0.00 0.00 176.35 176.11 1xb9 s VAL 119 N 0.36 0.73 -0.24 -1.59 1.01 -0.24 -1.33 120.40 119.10 1xb9 s VAL 119 Ca 0.06 -1.29 -0.20 0.00 0.00 0.00 0.00 61.98 60.55 1xb9 s VAL 119 Cb -0.12 -1.55 -0.02 0.00 0.00 0.00 0.00 36.38 34.69 1xb9 s VAL 119 CO -0.01 -0.67 0.60 0.00 0.00 0.00 0.00 175.10 175.02 1xb9 s ALA 120 N 1.69 3.59 -2.00 5.51 0.00 -0.63 -1.29 121.76 128.63 1xb9 s ALA 120 Ca 0.09 -0.43 0.03 0.00 0.00 0.00 0.00 51.96 51.66 1xb9 s ALA 120 Cb -0.17 -2.98 0.20 0.00 0.00 0.00 0.00 23.12 20.16 1xb9 s ALA 120 CO -0.27 -0.72 0.68 1.28 0.00 0.00 0.00 175.76 176.73