#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 2.22 -0.02 4.33 -0.21 0.27 -4.94 119.66 121.31 1xb9 s GLN 16 Ca 0.00 -1.70 -0.00 0.00 0.02 0.00 0.00 55.36 53.68 1xb9 s GLN 16 Cb 0.00 -2.03 0.03 0.00 1.00 0.00 0.00 33.01 32.01 1xb9 s GLN 16 CO 0.00 0.06 0.03 1.21 -2.12 0.00 0.00 175.29 174.47 1xb9 s ASN 17 N -3.81 0.17 0.08 5.90 2.47 -1.26 -1.46 114.94 117.04 1xb9 s ASN 17 Ca 0.37 0.03 0.04 0.00 0.42 0.00 0.00 52.86 53.72 1xb9 s ASN 17 Cb 0.00 -0.10 -0.03 0.00 -1.45 0.00 0.00 41.25 39.67 1xb9 s ASN 17 CO 0.21 -0.13 -0.11 -0.36 -3.72 0.00 0.00 177.10 172.99 1xb9 s PHE 18 N 1.11 1.06 0.47 0.43 0.40 -0.55 -4.95 117.98 115.96 1xb9 s PHE 18 Ca -0.09 -0.57 -0.25 0.00 -0.60 0.00 0.00 56.93 55.43 1xb9 s PHE 18 Cb -0.13 -0.59 -0.08 0.00 0.51 0.00 0.00 43.02 42.73 1xb9 s PHE 18 CO -0.03 0.01 1.43 -0.51 0.70 0.00 0.00 175.22 176.82 1xb9 s LEU 19 N -2.10 4.05 -0.04 -0.37 1.43 -1.26 -0.20 118.68 120.19 1xb9 s LEU 19 Ca 0.01 2.92 0.02 0.00 -1.03 0.00 0.00 54.13 56.05 1xb9 s LEU 19 Cb -0.06 -4.00 0.01 0.00 0.03 0.00 0.00 46.19 42.17 1xb9 s LEU 19 CO 0.01 -1.29 -0.08 0.12 0.23 0.00 0.00 176.35 175.34 1xb9 s PHE 20 N -1.21 0.97 0.25 0.29 5.36 0.14 -4.56 117.98 119.22 1xb9 s PHE 20 Ca 0.63 -0.28 -0.05 0.00 -0.96 0.00 0.00 56.93 56.27 1xb9 s PHE 20 Cb -0.44 -0.74 -0.02 0.00 -0.34 0.00 0.00 43.02 41.49 1xb9 s PHE 20 CO 0.56 -0.15 0.34 0.20 -1.46 0.00 0.00 175.22 174.70 1xb9 s GLY 21 N 0.48 1.15 0.11 13.12 0.00 -1.26 -0.59 107.32 120.32 1xb9 s GLY 21 Ca -0.08 -1.37 -0.25 0.00 0.00 0.00 0.00 44.72 43.02 1xb9 s GLY 21 CO 0.01 -1.03 0.72 0.00 0.00 0.00 0.00 173.10 172.80 1xb9 s GLU 23 N -3.52 2.88 -0.24 0.00 2.12 -1.26 -2.07 118.70 116.61 1xb9 s GLU 23 Ca 0.03 -0.84 -0.06 0.00 0.36 0.00 0.00 54.97 54.47 1xb9 s GLU 23 Cb -0.01 -2.20 -0.02 0.00 0.26 0.00 0.00 34.13 32.16 1xb9 s GLU 23 CO -0.10 0.18 0.02 -0.51 -0.54 0.00 0.00 175.26 174.31 1xb9 s LEU 24 N 0.33 3.20 0.30 2.70 1.43 0.66 -4.92 118.68 122.38 1xb9 s LEU 24 Ca -0.17 -0.29 0.05 0.00 -1.03 0.00 0.00 54.13 52.69 1xb9 s LEU 24 Cb -0.17 -1.84 -0.03 0.00 0.03 0.00 0.00 46.19 44.18 1xb9 s LEU 24 CO 0.08 -0.03 0.27 -1.59 0.23 0.00 0.00 176.35 175.31 1xb9 s LYS 25 N 1.54 1.66 0.28 1.70 -2.85 -0.01 0.19 119.74 122.24 1xb9 s LYS 25 Ca 0.06 -1.91 0.01 0.00 -1.00 0.00 0.00 55.97 53.13 1xb9 s LYS 25 Cb -0.15 0.33 0.60 0.00 -2.06 0.00 0.00 37.83 36.55 1xb9 s LYS 25 CO 0.01 -0.61 1.78 0.00 0.10 0.00 0.00 175.35 176.62 1xb9 h ALA 26 N 2.23 1.43 -0.16 0.59 0.00 -1.88 0.73 119.26 122.20 1xb9 h ALA 26 Ca -0.27 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1xb9 h ALA 26 Cb 1.24 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1xb9 h ALA 26 CO 0.40 -0.04 0.00 -0.40 0.00 0.00 0.00 179.25 179.21 1xb9 n ASP 27 N -4.81 3.08 -3.30 0.00 5.75 -1.26 -4.58 116.55 111.43 1xb9 n ASP 27 Ca 0.19 -2.81 -0.10 0.00 -0.01 0.00 0.00 54.79 52.06 1xb9 n ASP 27 Cb 0.47 -0.41 -0.05 0.00 -1.03 0.00 0.00 41.12 40.09 1xb9 n ASP 27 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 1xb9 s LYS 28 N -2.43 0.69 0.01 0.11 2.20 0.23 -5.02 119.74 115.52 1xb9 s LYS 28 Ca 0.32 -0.60 0.25 0.00 -0.36 0.00 0.00 55.97 55.58 1xb9 s LYS 28 Cb 0.26 -0.42 0.46 0.00 -1.51 0.00 0.00 37.83 36.62 1xb9 s LYS 28 CO 0.07 -1.18 1.38 1.63 -0.36 0.00 0.00 175.35 176.89 1xb9 n LYS 29 N 4.37 0.03 -4.42 4.03 5.02 -1.07 -0.83 118.16 125.28 1xb9 n LYS 29 Ca 0.11 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.13 1xb9 n LYS 29 Cb 0.49 -1.51 -0.13 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 -3.02 1.34 -0.10 1.97 2.02 -1.26 -0.40 118.70 119.26 1xb9 s GLU 30 Ca 0.10 -1.23 0.01 0.00 0.02 0.00 0.00 54.97 53.87 1xb9 s GLU 30 Cb 0.17 -1.71 0.02 0.00 0.10 0.00 0.00 34.13 32.71 1xb9 s GLU 30 CO 0.71 0.41 -0.12 -0.47 0.02 0.00 0.00 175.26 175.80 1xb9 s TYR 31 N -1.05 1.72 -0.32 1.61 5.04 0.39 -4.99 117.35 119.76 1xb9 s TYR 31 Ca 0.11 -0.80 -0.12 0.00 -2.44 0.00 0.00 57.07 53.82 1xb9 s TYR 31 Cb -0.10 -1.29 -0.03 0.00 0.35 0.00 0.00 41.96 40.89 1xb9 s TYR 31 CO 0.05 -0.45 0.22 0.45 -1.34 0.00 0.00 175.55 174.48 1xb9 s SER 32 N 1.14 6.04 -0.33 4.32 0.15 -1.26 -0.98 113.70 122.77 1xb9 s SER 32 Ca -0.05 -0.27 -0.11 0.00 0.70 0.00 0.00 55.95 56.22 1xb9 s SER 32 Cb -0.14 -2.13 -0.01 0.00 -1.71 0.00 0.00 66.02 62.03 1xb9 s SER 32 CO -0.03 -0.16 0.20 0.12 1.20 0.00 0.00 173.24 174.57 1xb9 s PHE 33 N 1.74 3.21 -0.01 3.44 5.36 -0.00 -5.01 117.98 126.70 1xb9 s PHE 33 Ca 0.06 -0.45 -0.21 0.00 -0.96 0.00 0.00 56.93 55.38 1xb9 s PHE 33 Cb -0.17 -2.43 0.04 0.00 -0.34 0.00 0.00 43.02 40.13 1xb9 s PHE 33 CO 0.11 -0.44 0.46 0.21 -1.46 0.00 0.00 175.22 174.10 1xb9 s LYS 34 N 1.66 0.87 0.03 10.12 2.20 -1.26 -1.56 119.74 131.80 1xb9 s LYS 34 Ca 0.05 -0.09 0.03 0.00 -0.36 0.00 0.00 55.97 55.60 1xb9 s LYS 34 Cb -0.17 0.40 -0.02 0.00 -1.51 0.00 0.00 37.83 36.52 1xb9 s LYS 34 CO 0.08 -0.27 -0.10 0.08 -0.36 0.00 0.00 175.35 174.78 1xb9 s VAL 35 N -1.61 0.78 -0.22 4.02 1.01 -1.26 -5.10 120.40 118.02 1xb9 s VAL 35 Ca -0.10 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.00 1xb9 s VAL 35 Cb -0.02 -0.74 0.05 0.00 0.00 0.00 0.00 36.38 35.66 1xb9 s VAL 35 CO 0.04 -0.12 -0.11 -1.61 0.00 0.00 0.00 175.10 173.31 1xb9 s GLU 36 N -1.11 2.11 -0.10 2.72 2.02 -1.26 -5.01 118.70 118.07 1xb9 s GLU 36 Ca -0.02 -0.97 -0.27 0.00 0.02 0.00 0.00 54.97 53.72 1xb9 s GLU 36 Cb -0.07 -2.56 0.06 0.00 0.10 0.00 0.00 34.13 31.66 1xb9 s GLU 36 CO 0.01 -0.46 0.64 0.34 0.02 0.00 0.00 175.26 175.80 1xb9 s ASP 37 N 1.32 -0.62 0.00 -0.19 -1.08 -1.26 -5.13 116.67 109.72 1xb9 s ASP 37 Ca -0.03 0.80 0.00 0.00 -0.52 0.00 0.00 52.55 52.80 1xb9 s ASP 37 Cb -0.17 0.72 0.00 0.00 -1.46 0.00 0.00 42.92 42.01 1xb9 s ASP 37 CO -0.08 -0.50 0.00 0.47 0.52 0.00 0.00 175.17 175.59 1xb9 n ASP 38 N 1.40 0.00 -1.00 -0.34 8.00 -1.26 -4.92 116.55 118.43 1xb9 n ASP 38 Ca -0.18 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.32 1xb9 n ASP 38 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.66 1xb9 n ASP 38 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 1xb9 n ASN 40 N 0.82 -5.50 -4.72 -2.24 2.04 -1.26 -5.24 115.26 99.16 1xb9 n ASN 40 Ca 0.00 0.65 -0.40 0.00 -0.44 0.00 0.00 54.58 54.38 1xb9 n ASN 40 Cb 0.00 -2.20 -0.04 0.00 -2.53 0.00 0.00 39.78 35.00 1xb9 n ASN 40 CO 0.00 0.00 0.00 -1.61 -0.44 0.00 0.00 177.26 175.21 1xb9 s GLU 41 N -2.74 4.49 0.05 -3.83 0.41 0.56 -4.81 118.70 112.83 1xb9 s GLU 41 Ca 0.00 1.07 0.01 0.00 -0.41 0.00 0.00 54.97 55.64 1xb9 s GLU 41 Cb 0.00 -3.43 -0.04 0.00 -1.78 0.00 0.00 34.13 28.88 1xb9 s GLU 41 CO 0.00 0.09 0.11 -1.01 -0.49 0.00 0.00 175.26 173.96 1xb9 s HIS 42 N 0.64 3.29 -0.09 1.61 3.76 -1.26 -2.12 115.29 121.11 1xb9 s HIS 42 Ca 0.42 0.15 -0.06 0.00 -0.15 0.00 0.00 55.06 55.41 1xb9 s HIS 42 Cb -0.19 -1.68 0.03 0.00 1.11 0.00 0.00 32.58 31.85 1xb9 s HIS 42 CO 0.22 0.55 0.22 -0.65 -0.85 0.00 0.00 174.74 174.22 1xb9 s GLN 43 N -2.25 0.22 -0.14 1.40 -0.21 -0.65 -4.37 119.66 113.66 1xb9 s GLN 43 Ca 0.29 0.40 -0.22 0.00 0.02 0.00 0.00 55.36 55.85 1xb9 s GLN 43 Cb -0.12 -0.01 -0.03 0.00 1.00 0.00 0.00 33.01 33.85 1xb9 s GLN 43 CO 0.21 -0.10 0.65 -1.17 -2.12 0.00 0.00 175.29 172.76 1xb9 s LEU 44 N 0.68 4.23 -0.43 2.90 2.96 -0.82 -0.64 118.68 127.55 1xb9 s LEU 44 Ca -0.05 0.99 -0.06 0.00 -0.22 0.00 0.00 54.13 54.79 1xb9 s LEU 44 Cb -0.06 -2.96 0.11 0.00 0.50 0.00 0.00 46.19 43.78 1xb9 s LEU 44 CO -0.04 -0.19 0.26 -0.55 -1.32 0.00 0.00 176.35 174.52 1xb9 s SER 45 N 0.96 5.45 0.07 3.68 0.15 -0.06 -0.41 113.70 123.55 1xb9 s SER 45 Ca 0.32 -1.95 -0.30 0.00 0.70 0.00 0.00 55.95 54.71 1xb9 s SER 45 Cb -0.16 -1.91 -0.06 0.00 -1.71 0.00 0.00 66.02 62.18 1xb9 s SER 45 CO 0.13 -0.60 1.19 -0.76 1.20 0.00 0.00 173.24 174.39 1xb9 s LEU 46 N 1.24 4.38 -0.10 3.45 1.43 0.31 -1.71 118.68 127.69 1xb9 s LEU 46 Ca 0.07 2.02 -0.12 0.00 -1.03 0.00 0.00 54.13 55.07 1xb9 s LEU 46 Cb -0.24 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.36 1xb9 s LEU 46 CO -0.02 -0.44 -0.23 0.54 0.23 0.00 0.00 176.35 176.42 1xb9 n ARG 47 N 3.75 0.35 -4.19 1.70 5.12 0.10 -1.62 116.66 121.87 1xb9 n ARG 47 Ca 0.08 0.14 -0.19 0.00 -1.93 0.00 0.00 57.85 55.95 1xb9 n ARG 47 Cb 0.46 -1.10 -0.12 0.00 -1.16 0.00 0.00 32.46 30.54 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 -2.47 1.20 -0.11 0.55 -4.23 -1.10 0.08 115.64 109.57 1xb9 s THR 48 Ca -0.19 -1.39 0.02 0.00 -1.18 0.00 0.00 61.69 58.95 1xb9 s THR 48 Cb 0.03 -1.18 -0.01 0.00 1.34 0.00 0.00 72.50 72.67 1xb9 s THR 48 CO 0.29 -0.24 -0.17 -0.69 -0.54 0.00 0.00 174.62 173.27 1xb9 s VAL 49 N -1.39 2.73 0.04 2.29 1.01 -0.33 -0.68 120.40 124.07 1xb9 s VAL 49 Ca 0.00 -0.79 -0.05 0.00 0.00 0.00 0.00 61.98 61.15 1xb9 s VAL 49 Cb -0.09 -2.10 -0.01 0.00 0.00 0.00 0.00 36.38 34.17 1xb9 s VAL 49 CO 0.03 0.55 0.08 -0.94 0.00 0.00 0.00 175.10 174.81 1xb9 s SER 50 N 0.16 0.20 -0.13 3.32 1.04 0.23 -0.53 113.70 117.99 1xb9 s SER 50 Ca -0.09 -0.55 -0.20 0.00 0.48 0.00 0.00 55.95 55.58 1xb9 s SER 50 Cb -0.16 0.21 -0.04 0.00 0.10 0.00 0.00 66.02 66.14 1xb9 s SER 50 CO 0.06 -0.49 0.57 -0.76 0.98 0.00 0.00 173.24 173.59 1xb9 s LEU 51 N -2.10 4.25 0.65 2.42 1.43 -0.55 -0.20 118.68 124.58 1xb9 s LEU 51 Ca -0.05 0.91 -0.18 0.00 -1.03 0.00 0.00 54.13 53.78 1xb9 s LEU 51 Cb -0.01 -2.84 -0.01 0.00 0.03 0.00 0.00 46.19 43.35 1xb9 s LEU 51 CO -0.04 -0.10 1.25 0.61 0.23 0.00 0.00 176.35 178.30 1xb9 n GLY 52 N 3.37 0.44 0.48 -3.19 0.00 -0.46 -4.93 105.19 100.89 1xb9 n GLY 52 Ca -0.04 -0.16 0.31 0.00 0.00 0.00 0.00 46.02 46.13 1xb9 n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xb9 h ALA 53 N 0.48 2.75 -0.02 4.61 0.00 -1.97 -1.92 119.26 123.19 1xb9 h ALA 53 Ca -0.51 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1xb9 h ALA 53 Cb 1.34 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.21 1xb9 h ALA 53 CO 0.52 -1.16 -0.03 -1.13 0.00 0.00 0.00 179.25 177.45 1xb9 n SER 54 N -4.41 2.17 -4.76 0.00 3.41 -1.26 -4.92 113.62 103.85 1xb9 n SER 54 Ca 0.27 -1.69 -0.39 0.00 -0.26 0.00 0.00 58.87 56.80 1xb9 n SER 54 Cb 1.15 0.03 0.02 0.00 -0.26 0.00 0.00 64.21 65.15 1xb9 n SER 54 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xb9 s ALA 55 N -2.05 3.00 0.44 7.33 0.00 -0.72 -4.82 121.76 124.95 1xb9 s ALA 55 Ca 0.32 1.29 -0.17 0.00 0.00 0.00 0.00 51.96 53.40 1xb9 s ALA 55 Cb 0.20 -3.53 -0.09 0.00 0.00 0.00 0.00 23.12 19.70 1xb9 s ALA 55 CO 0.34 -1.15 0.91 0.21 0.00 0.00 0.00 175.76 176.07 1xb9 s LYS 56 N -2.68 4.03 -1.25 0.00 2.20 -1.26 -4.94 119.74 115.84 1xb9 s LYS 56 Ca 0.66 0.91 -0.18 0.00 -0.36 0.00 0.00 55.97 57.00 1xb9 s LYS 56 Cb -0.39 -2.22 -0.01 0.00 -1.51 0.00 0.00 37.83 33.70 1xb9 s LYS 56 CO 0.48 -0.10 2.02 -3.47 -0.36 0.00 0.00 175.35 173.92 1xb9 n ASP 57 N -1.05 3.77 -3.19 1.43 2.03 -1.26 -4.69 116.55 113.59 1xb9 n ASP 57 Ca 0.06 -2.81 -0.16 0.00 0.52 0.00 0.00 54.79 52.39 1xb9 n ASP 57 Cb 0.54 -1.58 -0.05 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 4.15 1.93 -0.04 -0.67 -1.05 -1.26 -4.98 118.70 116.78 1xb9 s GLU 58 Ca 0.53 -1.85 -0.26 0.00 -0.15 0.00 0.00 54.97 53.24 1xb9 s GLU 58 Cb 0.10 0.42 -0.03 0.00 -0.44 0.00 0.00 34.13 34.18 1xb9 s GLU 58 CO 0.02 -0.78 0.82 -1.17 0.95 0.00 0.00 175.26 175.10 1xb9 s LEU 59 N -3.28 4.34 -0.10 1.83 0.20 -1.26 -4.45 118.68 115.95 1xb9 s LEU 59 Ca 0.33 1.39 0.01 0.00 0.69 0.00 0.00 54.13 56.55 1xb9 s LEU 59 Cb -0.00 -3.30 -0.02 0.00 -0.43 0.00 0.00 46.19 42.44 1xb9 s LEU 59 CO 0.23 -0.19 -0.13 -1.00 -0.29 0.00 0.00 176.35 174.97 1xb9 s HIS 60 N 0.93 2.79 -0.14 5.38 3.76 0.18 -3.86 115.29 124.33 1xb9 s HIS 60 Ca 0.44 -0.44 0.01 0.00 -0.15 0.00 0.00 55.06 54.92 1xb9 s HIS 60 Cb -0.19 -1.77 -0.00 0.00 1.11 0.00 0.00 32.58 31.72 1xb9 s HIS 60 CO 0.22 -0.05 -0.17 0.08 -0.85 0.00 0.00 174.74 173.98 1xb9 s VAL 61 N -0.05 2.59 -0.18 -0.90 1.01 -0.72 -0.53 120.40 121.62 1xb9 s VAL 61 Ca -0.02 -0.81 -0.05 0.00 0.00 0.00 0.00 61.98 61.10 1xb9 s VAL 61 Cb -0.14 -2.08 -0.03 0.00 0.00 0.00 0.00 36.38 34.13 1xb9 s VAL 61 CO 0.04 0.52 0.01 -0.69 0.00 0.00 0.00 175.10 174.98 1xb9 s VAL 62 N 0.69 4.25 0.34 2.92 1.01 -0.33 -0.82 120.40 128.46 1xb9 s VAL 62 Ca -0.08 -0.22 0.09 0.00 0.00 0.00 0.00 61.98 61.77 1xb9 s VAL 62 Cb -0.16 -2.90 -0.05 0.00 0.00 0.00 0.00 36.38 33.27 1xb9 s VAL 62 CO 0.02 0.46 0.00 -1.83 0.00 0.00 0.00 175.10 173.75 1xb9 s GLU 63 N 0.52 2.06 0.01 2.72 -1.05 -0.15 -0.31 118.70 122.49 1xb9 s GLU 63 Ca -0.00 -1.76 0.07 0.00 -0.15 0.00 0.00 54.97 53.13 1xb9 s GLU 63 Cb -0.14 -1.91 -0.02 0.00 -0.44 0.00 0.00 34.13 31.62 1xb9 s GLU 63 CO 0.02 0.14 -0.23 0.00 0.95 0.00 0.00 175.26 176.14 1xb9 s ALA 64 N -2.52 1.91 -0.10 -0.84 0.00 0.00 -0.95 121.76 119.26 1xb9 s ALA 64 Ca 0.35 -1.05 0.03 0.00 0.00 0.00 0.00 51.96 51.28 1xb9 s ALA 64 Cb 0.00 -0.44 0.01 0.00 0.00 0.00 0.00 23.12 22.69 1xb9 s ALA 64 CO 0.19 0.46 -0.18 -2.00 0.00 0.00 0.00 175.76 174.23 1xb9 s GLU 65 N -0.83 2.42 0.06 0.00 2.12 0.21 -0.81 118.70 121.87 1xb9 s GLU 65 Ca 0.09 -0.65 -0.04 0.00 0.36 0.00 0.00 54.97 54.73 1xb9 s GLU 65 Cb -0.09 -1.95 0.01 0.00 0.26 0.00 0.00 34.13 32.37 1xb9 s GLU 65 CO 0.00 0.04 0.20 0.41 -0.54 0.00 0.00 175.26 175.37 1xb9 n GLY 66 N 3.88 1.43 3.64 -1.50 0.00 -0.62 -1.62 105.19 110.40 1xb9 n GLY 66 Ca -0.20 -1.01 -0.37 0.00 0.00 0.00 0.00 46.02 44.44 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 -2.62 5.28 0.52 -0.61 -1.09 -1.26 -1.30 121.20 120.12 1xb9 s ILE 67 Ca 0.04 0.15 -0.09 0.00 -2.23 0.00 0.00 60.65 58.53 1xb9 s ILE 67 Cb -0.01 -3.47 0.12 0.00 -1.58 0.00 0.00 42.46 37.53 1xb9 s ILE 67 CO 0.02 0.34 0.60 -0.46 -1.23 0.00 0.00 174.94 174.21 1xb9 n ASN 68 N 4.37 -0.53 0.19 3.58 0.23 0.63 -4.90 115.26 118.82 1xb9 n ASN 68 Ca -0.15 -1.08 0.07 0.00 -0.53 0.00 0.00 54.58 52.89 1xb9 n ASN 68 Cb 0.52 -0.49 0.29 0.00 -2.08 0.00 0.00 39.78 38.02 1xb9 n ASN 68 CO 0.00 0.00 0.00 0.22 -0.93 0.00 0.00 177.26 176.55 1xb9 h TYR 69 N -1.64 0.00 -0.80 -2.53 3.20 -1.99 -2.11 116.97 111.11 1xb9 h TYR 69 Ca -0.20 0.00 -0.28 0.00 3.14 0.00 0.00 58.73 61.39 1xb9 h TYR 69 Cb 0.58 0.00 -0.17 0.00 1.54 0.00 0.00 36.73 38.69 1xb9 h TYR 69 CO 0.00 0.31 0.35 -0.85 -1.64 0.00 0.00 178.16 176.33 1xb9 n GLU 70 N -3.32 3.43 -0.08 1.82 0.28 -1.26 -4.92 120.64 116.59 1xb9 n GLU 70 Ca 0.01 -3.04 0.00 0.00 -0.16 0.00 0.00 57.16 53.97 1xb9 n GLU 70 Cb 0.54 -2.21 0.00 0.00 1.43 0.00 0.00 31.44 31.20 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 -0.33 2.03 3.77 -1.84 0.00 -0.79 -5.02 105.19 103.01 1xb9 n GLY 71 Ca 0.45 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 46.09 1xb9 n GLY 71 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xb9 s LYS 72 N -0.27 4.67 -0.16 1.61 2.47 -1.26 -4.69 119.74 122.11 1xb9 s LYS 72 Ca 0.00 1.36 -0.23 0.00 -1.56 0.00 0.00 55.97 55.54 1xb9 s LYS 72 Cb 0.00 -3.00 -0.02 0.00 -1.46 0.00 0.00 37.83 33.34 1xb9 s LYS 72 CO 0.00 0.39 0.72 -0.08 0.16 0.00 0.00 175.35 176.54 1xb9 s THR 73 N -1.43 4.97 0.18 3.43 -1.32 -1.26 -0.27 115.64 119.94 1xb9 s THR 73 Ca 0.46 1.41 0.07 0.00 -1.21 0.00 0.00 61.69 62.42 1xb9 s THR 73 Cb -0.21 -4.04 -0.04 0.00 -1.51 0.00 0.00 72.50 66.69 1xb9 s THR 73 CO 0.27 0.10 -0.15 0.27 -2.21 0.00 0.00 174.62 172.90 1xb9 s ILE 74 N 1.80 1.63 -0.15 5.08 -4.36 -0.42 -4.91 121.20 119.87 1xb9 s ILE 74 Ca 0.34 -2.07 -0.01 0.00 -0.26 0.00 0.00 60.65 58.65 1xb9 s ILE 74 Cb -0.16 -1.91 -0.01 0.00 1.25 0.00 0.00 42.46 41.62 1xb9 s ILE 74 CO 0.12 -0.54 -0.11 -0.54 0.24 0.00 0.00 174.94 174.12 1xb9 s LYS 75 N -3.36 3.38 -0.08 0.37 1.02 -1.26 -1.59 119.74 118.22 1xb9 s LYS 75 Ca 0.19 -0.67 0.04 0.00 0.02 0.00 0.00 55.97 55.54 1xb9 s LYS 75 Cb -0.02 -2.72 0.00 0.00 -0.52 0.00 0.00 37.83 34.57 1xb9 s LYS 75 CO 0.06 0.11 -0.20 0.96 -0.92 0.00 0.00 175.35 175.36 1xb9 s ILE 76 N 0.62 1.71 -0.10 2.17 -4.36 0.01 -4.98 121.20 116.27 1xb9 s ILE 76 Ca -0.06 -0.83 -0.29 0.00 -0.26 0.00 0.00 60.65 59.20 1xb9 s ILE 76 Cb -0.15 -1.49 -0.04 0.00 1.25 0.00 0.00 42.46 42.03 1xb9 s ILE 76 CO 0.03 0.48 1.48 0.00 0.24 0.00 0.00 174.94 177.17 1xb9 s ALA 77 N 0.32 3.64 -0.09 2.27 0.00 -1.26 -0.81 121.76 125.83 1xb9 s ALA 77 Ca -0.14 0.73 -0.05 0.00 0.00 0.00 0.00 51.96 52.50 1xb9 s ALA 77 Cb -0.16 -3.69 -0.27 0.00 0.00 0.00 0.00 23.12 19.00 1xb9 s ALA 77 CO 0.06 -1.30 0.51 -0.07 0.00 0.00 0.00 175.76 174.96 1xb9 h LEU 78 N 10.00 0.41 -7.00 0.00 3.38 -0.99 -3.48 115.31 117.63 1xb9 h LEU 78 Ca -0.34 -0.81 -0.01 0.00 0.09 0.00 0.00 57.88 56.82 1xb9 h LEU 78 Cb 1.14 -0.13 -0.22 0.00 0.09 0.00 0.00 40.66 41.54 1xb9 h LEU 78 CO 0.96 1.71 0.25 0.00 0.09 0.00 0.00 178.44 181.46 1xb9 s ALA 79 N -2.57 -1.83 -0.20 1.53 0.00 -1.13 -5.01 121.76 112.54 1xb9 s ALA 79 Ca -0.18 1.78 -0.02 0.00 0.00 0.00 0.00 51.96 53.54 1xb9 s ALA 79 Cb 0.07 -0.90 -0.00 0.00 0.00 0.00 0.00 23.12 22.28 1xb9 s ALA 79 CO 0.80 -0.32 -0.10 -1.12 0.00 0.00 0.00 175.76 175.02 1xb9 s SER 80 N -0.18 3.93 0.06 0.00 0.01 -1.26 -1.19 113.70 115.07 1xb9 s SER 80 Ca -0.02 -0.45 0.06 0.00 1.31 0.00 0.00 55.95 56.84 1xb9 s SER 80 Cb -0.03 -1.65 -0.03 0.00 0.21 0.00 0.00 66.02 64.52 1xb9 s SER 80 CO 0.02 0.01 -0.15 -0.76 0.41 0.00 0.00 173.24 172.77 1xb9 s LEU 81 N 1.26 2.22 -0.12 2.44 1.02 0.31 -4.94 118.68 120.88 1xb9 s LEU 81 Ca 0.03 -0.54 -0.07 0.00 0.02 0.00 0.00 54.13 53.57 1xb9 s LEU 81 Cb -0.14 -0.63 0.05 0.00 0.02 0.00 0.00 46.19 45.48 1xb9 s LEU 81 CO -0.05 0.01 0.28 -0.75 0.02 0.00 0.00 176.35 175.86 1xb9 s LYS 82 N -1.44 0.26 0.29 1.70 2.20 -0.86 0.51 119.74 122.40 1xb9 s LYS 82 Ca 0.01 0.56 0.03 0.00 -0.36 0.00 0.00 55.97 56.21 1xb9 s LYS 82 Cb -0.09 -0.06 0.68 0.00 -1.51 0.00 0.00 37.83 36.85 1xb9 s LYS 82 CO 0.02 -0.14 1.75 -1.35 -0.36 0.00 0.00 175.35 175.27 1xb9 h PRO 83 N 6.94 0.62 -0.00 4.03 0.11 -1.82 0.67 132.00 142.54 1xb9 h PRO 83 Ca -0.38 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1xb9 h PRO 83 Cb 1.17 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1xb9 h PRO 83 CO 0.35 0.41 -0.15 -1.13 -0.21 0.00 0.00 178.00 177.27 1xb9 n SER 84 N -4.86 0.39 0.00 -2.05 3.41 -1.26 -4.45 113.62 104.80 1xb9 n SER 84 Ca 0.21 -0.32 0.00 0.00 -0.26 0.00 0.00 58.87 58.50 1xb9 n SER 84 Cb 0.56 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 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 -1.14 0.00 -3.06 -3.33 0.31 -0.49 -5.03 118.33 105.59 1xb9 n VAL 85 Ca 0.12 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.41 1xb9 n VAL 85 Cb 0.30 -1.40 -0.01 0.00 -0.91 0.00 0.00 33.84 31.81 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 -2.00 0.91 0.15 5.55 0.74 0.11 -4.97 119.66 120.15 1xb9 s GLN 86 Ca 0.00 -0.69 0.27 0.00 0.05 0.00 0.00 55.36 54.99 1xb9 s GLN 86 Cb 0.00 -0.08 0.93 0.00 1.10 0.00 0.00 33.01 34.95 1xb9 s GLN 86 CO 0.00 -1.25 1.82 -0.35 -0.55 0.00 0.00 175.29 174.95 1xb9 n PRO 87 N 3.78 0.19 -4.18 1.67 -0.04 -1.18 -2.04 135.00 133.20 1xb9 n PRO 87 Ca 0.14 0.16 -0.16 0.00 -0.04 0.00 0.00 63.50 63.61 1xb9 n PRO 87 Cb 0.55 -1.72 -0.14 0.00 -0.04 0.00 0.00 33.50 32.15 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 -3.08 0.53 -0.13 0.52 2.01 -1.26 -1.49 115.64 112.74 1xb9 s THR 88 Ca 0.11 -0.49 0.02 0.00 0.31 0.00 0.00 61.69 61.65 1xb9 s THR 88 Cb 0.14 -0.48 0.01 0.00 0.01 0.00 0.00 72.50 72.18 1xb9 s THR 88 CO 0.57 0.01 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.64 1xb9 s VAL 89 N -0.46 1.75 -0.29 3.82 1.01 0.31 -5.01 120.40 121.53 1xb9 s VAL 89 Ca -0.01 -0.79 -0.20 0.00 0.00 0.00 0.00 61.98 60.98 1xb9 s VAL 89 Cb -0.04 -1.58 -0.01 0.00 0.00 0.00 0.00 36.38 34.75 1xb9 s VAL 89 CO -0.00 0.49 0.63 -0.55 0.00 0.00 0.00 175.10 175.67 1xb9 s SER 90 N 0.95 6.52 0.10 3.32 0.15 -1.26 -1.19 113.70 122.29 1xb9 s SER 90 Ca -0.06 0.52 0.24 0.00 0.70 0.00 0.00 55.95 57.35 1xb9 s SER 90 Cb -0.15 -2.33 0.26 0.00 -1.71 0.00 0.00 66.02 62.09 1xb9 s SER 90 CO -0.02 -0.44 1.24 0.18 1.20 0.00 0.00 173.24 175.39 1xb9 n LEU 91 N 5.82 0.67 0.00 3.45 4.77 0.11 -4.98 117.00 126.85 1xb9 n LEU 91 Ca -0.01 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 1xb9 n LEU 91 Cb 0.49 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1xb9 n LEU 91 CO 0.45 -0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 1xb9 n GLY 92 N 1.34 0.53 1.33 -0.72 0.00 -1.21 -4.11 105.19 102.35 1xb9 n GLY 92 Ca 0.03 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.82 0.77 3.58 -0.02 0.00 -0.64 -5.03 105.19 101.02 1xb9 n GLY 93 Ca 0.00 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.89 2.41 0.05 1.61 5.99 -0.70 -4.72 117.98 119.73 1xb9 s PHE 94 Ca 0.00 0.40 -0.21 0.00 0.00 0.00 0.00 56.93 57.12 1xb9 s PHE 94 Cb 0.00 -4.47 -0.06 0.00 0.00 0.00 0.00 43.02 38.49 1xb9 s PHE 94 CO 0.00 -1.83 0.63 -1.21 -0.00 0.00 0.00 175.22 172.82 1xb9 s GLU 95 N 5.31 4.34 -0.10 10.12 2.02 -1.26 -0.53 118.70 138.60 1xb9 s GLU 95 Ca 0.47 0.84 -0.00 0.00 0.02 0.00 0.00 54.97 56.29 1xb9 s GLU 95 Cb -0.09 -3.31 0.02 0.00 0.10 0.00 0.00 34.13 30.86 1xb9 s GLU 95 CO 0.24 0.46 -0.08 0.42 0.02 0.00 0.00 175.26 176.32 1xb9 s ILE 96 N -0.55 1.01 0.07 -1.63 1.01 0.45 -5.00 121.20 116.56 1xb9 s ILE 96 Ca 0.32 -0.29 -0.31 0.00 0.00 0.00 0.00 60.65 60.37 1xb9 s ILE 96 Cb -0.20 -1.02 -0.06 0.00 0.01 0.00 0.00 42.46 41.20 1xb9 s ILE 96 CO 0.20 0.36 1.27 -0.89 0.00 0.00 0.00 174.94 175.87 1xb9 s THR 97 N 1.57 3.80 0.59 2.92 2.01 -1.26 -1.95 115.64 123.32 1xb9 s THR 97 Ca 0.02 1.28 -0.17 0.00 0.31 0.00 0.00 61.69 63.13 1xb9 s THR 97 Cb -0.13 -3.82 -0.03 0.00 0.01 0.00 0.00 72.50 68.52 1xb9 s THR 97 CO -0.06 0.09 1.10 -2.16 -0.69 0.00 0.00 174.62 172.90 1xb9 s PRO 98 N 1.15 3.19 0.27 4.92 0.04 -1.26 -4.49 135.00 138.81 1xb9 s PRO 98 Ca 0.61 1.42 -0.30 0.00 0.04 0.00 0.00 61.00 62.77 1xb9 s PRO 98 Cb -0.32 -2.00 -0.09 0.00 0.04 0.00 0.00 34.50 32.13 1xb9 s PRO 98 CO 0.29 -0.95 1.07 -2.14 0.04 0.00 0.00 177.00 175.31 1xb9 s PRO 99 N -3.74 4.68 -0.07 0.56 0.02 -1.26 -4.93 135.00 130.26 1xb9 s PRO 99 Ca 0.68 1.74 -0.07 0.00 0.02 0.00 0.00 61.00 63.37 1xb9 s PRO 99 Cb -0.20 -3.21 0.02 0.00 0.02 0.00 0.00 34.50 31.13 1xb9 s PRO 99 CO 0.34 0.27 0.20 0.54 -0.33 0.00 0.00 177.00 178.02 1xb9 s VAL 100 N -1.14 0.01 -0.12 3.83 0.11 -0.60 -4.61 120.40 117.87 1xb9 s VAL 100 Ca 0.44 -0.08 -0.05 0.00 -2.93 0.00 0.00 61.98 59.36 1xb9 s VAL 100 Cb -0.31 -0.32 -0.04 0.00 -1.53 0.00 0.00 36.38 34.19 1xb9 s VAL 100 CO 0.39 -0.04 0.06 -0.63 -3.33 0.00 0.00 175.10 171.55 1xb9 s ILE 101 N -0.07 4.84 -0.17 7.04 1.01 -0.64 -0.82 121.20 132.39 1xb9 s ILE 101 Ca -0.02 -0.04 -0.06 0.00 0.00 0.00 0.00 60.65 60.54 1xb9 s ILE 101 Cb -0.02 -3.10 -0.04 0.00 0.01 0.00 0.00 42.46 39.31 1xb9 s ILE 101 CO 0.01 0.57 0.02 -0.76 0.00 0.00 0.00 174.94 174.78 1xb9 s LEU 102 N -0.57 3.60 -0.03 2.97 1.43 -0.16 0.66 118.68 126.58 1xb9 s LEU 102 Ca 0.11 0.01 0.02 0.00 -1.03 0.00 0.00 54.13 53.24 1xb9 s LEU 102 Cb -0.12 -1.89 0.01 0.00 0.03 0.00 0.00 46.19 44.22 1xb9 s LEU 102 CO 0.02 0.19 -0.10 -0.60 0.23 0.00 0.00 176.35 176.09 1xb9 s ARG 103 N 0.28 1.13 -0.76 1.70 3.52 -0.13 -0.46 118.95 124.23 1xb9 s ARG 103 Ca 0.01 -0.33 -0.26 0.00 -0.13 0.00 0.00 55.73 55.02 1xb9 s ARG 103 Cb -0.13 -1.02 0.02 0.00 -1.56 0.00 0.00 34.95 32.26 1xb9 s ARG 103 CO 0.01 0.09 1.41 -1.17 -0.81 0.00 0.00 175.30 174.84 1xb9 s LEU 104 N 0.32 3.22 0.08 -0.88 0.20 0.47 -0.98 118.68 121.12 1xb9 s LEU 104 Ca -0.06 -0.47 -0.12 0.00 0.69 0.00 0.00 54.13 54.17 1xb9 s LEU 104 Cb -0.10 -2.56 -0.22 0.00 -0.43 0.00 0.00 46.19 42.88 1xb9 s LEU 104 CO 0.01 -1.90 1.19 0.50 -0.29 0.00 0.00 176.35 175.86 1xb9 h LYS 105 N 10.78 0.64 -3.46 1.98 3.64 -1.30 -3.47 116.57 125.38 1xb9 h LYS 105 Ca -0.20 -0.72 -0.09 0.00 -1.27 0.00 0.00 60.65 58.37 1xb9 h LYS 105 Cb 1.06 0.21 -0.16 0.00 -0.41 0.00 0.00 32.23 32.94 1xb9 h LYS 105 CO 1.29 1.30 -0.26 -1.54 -2.27 0.00 0.00 179.45 177.97 1xb9 s SER 106 N -7.29 -0.07 0.00 4.20 1.04 -1.14 -4.95 113.70 105.50 1xb9 s SER 106 Ca -0.09 -0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.00 1xb9 s SER 106 Cb 0.07 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.56 1xb9 s SER 106 CO 0.92 -0.68 0.00 0.61 0.98 0.00 0.00 173.24 175.07 1xb9 n GLY 107 N 0.29 0.87 0.21 7.32 0.00 -1.25 -1.76 105.19 110.87 1xb9 n GLY 107 Ca -0.17 -1.79 -0.05 0.00 0.00 0.00 0.00 46.02 44.01 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 0.40 -0.44 1.61 4.64 -1.92 -3.48 113.55 114.36 1xb9 h SER 108 Ca 0.00 -0.18 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 1xb9 h SER 108 Cb 0.00 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 61.98 1xb9 h SER 108 CO 0.00 0.79 0.00 0.61 -0.87 0.00 0.00 176.83 177.36 1xb9 n GLY 109 N -0.05 0.11 3.77 -0.77 0.00 -1.26 -2.97 105.19 104.02 1xb9 n GLY 109 Ca -0.02 -0.89 -0.39 0.00 0.00 0.00 0.00 46.02 44.73 1xb9 n GLY 109 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1xb9 s PRO 110 N 0.00 3.87 -0.04 1.61 0.02 -1.26 -3.67 135.00 135.52 1xb9 s PRO 110 Ca 0.00 2.06 0.06 0.00 0.02 0.00 0.00 61.00 63.14 1xb9 s PRO 110 Cb 0.00 -2.65 -0.01 0.00 0.02 0.00 0.00 34.50 31.86 1xb9 s PRO 110 CO 0.00 -0.54 -0.24 0.08 -0.33 0.00 0.00 177.00 175.97 1xb9 s VAL 111 N -1.33 1.93 0.13 3.83 1.01 0.13 -1.36 120.40 124.74 1xb9 s VAL 111 Ca 0.59 -1.01 0.06 0.00 0.00 0.00 0.00 61.98 61.62 1xb9 s VAL 111 Cb -0.36 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.35 1xb9 s VAL 111 CO 0.45 0.54 -0.00 -0.31 0.00 0.00 0.00 175.10 175.78 1xb9 s TYR 112 N -0.25 2.92 -0.05 5.22 1.51 0.72 -0.24 117.35 127.17 1xb9 s TYR 112 Ca -0.00 -0.08 0.04 0.00 -1.01 0.00 0.00 57.07 56.02 1xb9 s TYR 112 Cb -0.12 -1.47 -0.00 0.00 -0.11 0.00 0.00 41.96 40.26 1xb9 s TYR 112 CO 0.02 0.49 -0.17 0.08 -1.11 0.00 0.00 175.55 174.86 1xb9 s VAL 113 N -1.47 1.45 0.22 0.71 1.01 -0.88 -0.60 120.40 120.83 1xb9 s VAL 113 Ca 0.26 -0.72 0.10 0.00 0.00 0.00 0.00 61.98 61.62 1xb9 s VAL 113 Cb -0.11 -1.25 -0.05 0.00 0.00 0.00 0.00 36.38 34.98 1xb9 s VAL 113 CO 0.18 0.42 -0.18 -0.94 0.00 0.00 0.00 175.10 174.58 1xb9 s SER 114 N 0.10 3.02 0.00 3.32 1.04 0.14 -1.91 113.70 119.41 1xb9 s SER 114 Ca -0.06 -0.96 0.00 0.00 0.48 0.00 0.00 55.95 55.41 1xb9 s SER 114 Cb -0.12 -0.21 0.00 0.00 0.10 0.00 0.00 66.02 65.79 1xb9 s SER 114 CO 0.03 -0.03 0.00 0.61 0.98 0.00 0.00 173.24 174.82 1xb9 n GLY 115 N -0.19 -0.93 3.44 7.32 0.00 0.24 -0.72 105.19 114.35 1xb9 n GLY 115 Ca -0.09 -0.81 -0.32 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.47 2.29 -0.30 1.61 -0.21 -0.70 -0.68 119.66 121.20 1xb9 s GLN 116 Ca 0.00 -0.83 -0.08 0.00 0.02 0.00 0.00 55.36 54.47 1xb9 s GLN 116 Cb 0.00 -2.26 0.00 0.00 1.00 0.00 0.00 33.01 31.76 1xb9 s GLN 116 CO 0.00 0.58 0.11 -1.58 -2.12 0.00 0.00 175.29 172.28 1xb9 s HIS 117 N -0.78 3.16 -0.11 0.91 5.65 0.72 -0.88 115.29 123.95 1xb9 s HIS 117 Ca 0.12 -0.81 -0.03 0.00 0.25 0.00 0.00 55.06 54.59 1xb9 s HIS 117 Cb -0.10 -2.29 -0.03 0.00 -1.18 0.00 0.00 32.58 28.97 1xb9 s HIS 117 CO 0.02 -0.53 0.00 -0.51 -0.65 0.00 0.00 174.74 173.08 1xb9 s LEU 118 N 1.54 3.56 -0.05 8.88 1.43 0.19 -1.48 118.68 132.75 1xb9 s LEU 118 Ca 0.03 0.08 -0.01 0.00 -1.03 0.00 0.00 54.13 53.20 1xb9 s LEU 118 Cb -0.17 -1.84 0.03 0.00 0.03 0.00 0.00 46.19 44.24 1xb9 s LEU 118 CO 0.04 0.31 0.03 0.54 0.23 0.00 0.00 176.35 177.49 1xb9 s VAL 119 N -0.45 0.13 -0.02 -1.59 0.11 -0.53 -1.63 120.40 116.42 1xb9 s VAL 119 Ca 0.08 0.26 -0.01 0.00 -2.93 0.00 0.00 61.98 59.38 1xb9 s VAL 119 Cb -0.12 -0.33 0.01 0.00 -1.53 0.00 0.00 36.38 34.41 1xb9 s VAL 119 CO 0.02 0.21 0.05 0.00 -3.33 0.00 0.00 175.10 172.05 1xb9 s ALA 120 N 1.95 -0.09 0.31 1.54 0.00 -0.90 0.93 121.76 125.51 1xb9 s ALA 120 Ca 0.03 0.21 -0.29 0.00 0.00 0.00 0.00 51.96 51.91 1xb9 s ALA 120 Cb -0.12 -0.14 -0.10 0.00 0.00 0.00 0.00 23.12 22.75 1xb9 s ALA 120 CO -0.04 -0.05 1.42 -0.51 0.00 0.00 0.00 175.76 176.58 1xb9 s LEU 121 N 0.32 4.38 0.00 0.00 1.43 -1.26 -0.32 118.68 123.23 1xb9 s LEU 121 Ca -0.03 2.80 0.23 0.00 -1.03 0.00 0.00 54.13 56.10 1xb9 s LEU 121 Cb -0.04 -3.64 1.35 0.00 0.03 0.00 0.00 46.19 43.89 1xb9 s LEU 121 CO -0.01 -0.71 1.72 -1.84 0.23 0.00 0.00 176.35 175.74