#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 1.09 -0.18 4.33 -0.21 0.16 -5.00 119.66 119.85 1xb9 s GLN 16 Ca 0.00 -1.30 -0.04 0.00 0.02 0.00 0.00 55.36 54.04 1xb9 s GLN 16 Cb 0.00 -0.98 0.09 0.00 1.00 0.00 0.00 33.01 33.12 1xb9 s GLN 16 CO 0.00 0.19 0.30 1.21 -2.12 0.00 0.00 175.29 174.86 1xb9 s ASN 17 N -2.57 0.50 0.21 5.90 2.47 -1.26 -1.62 114.94 118.57 1xb9 s ASN 17 Ca 0.11 0.37 0.10 0.00 0.42 0.00 0.00 52.86 53.86 1xb9 s ASN 17 Cb -0.04 0.80 -0.05 0.00 -1.45 0.00 0.00 41.25 40.51 1xb9 s ASN 17 CO 0.04 -0.27 -0.20 -0.36 -3.72 0.00 0.00 177.10 172.58 1xb9 s PHE 18 N 2.45 2.11 0.60 0.43 0.40 -0.62 -4.97 117.98 118.39 1xb9 s PHE 18 Ca 0.05 -0.40 -0.18 0.00 -0.60 0.00 0.00 56.93 55.80 1xb9 s PHE 18 Cb -0.14 -1.00 -0.03 0.00 0.51 0.00 0.00 43.02 42.36 1xb9 s PHE 18 CO -0.11 0.51 1.18 -0.51 0.70 0.00 0.00 175.22 176.98 1xb9 s LEU 19 N -2.99 3.62 -0.00 -0.37 1.43 -1.26 -0.31 118.68 118.79 1xb9 s LEU 19 Ca 0.22 2.29 -0.01 0.00 -1.03 0.00 0.00 54.13 55.61 1xb9 s LEU 19 Cb -0.06 -4.59 -0.00 0.00 0.03 0.00 0.00 46.19 41.57 1xb9 s LEU 19 CO 0.10 -1.57 0.01 0.12 0.23 0.00 0.00 176.35 175.25 1xb9 s PHE 20 N -1.76 0.02 0.17 0.29 5.36 -0.76 -4.49 117.98 116.81 1xb9 s PHE 20 Ca 0.75 -0.03 -0.24 0.00 -0.96 0.00 0.00 56.93 56.46 1xb9 s PHE 20 Cb -0.27 -0.02 0.06 0.00 -0.34 0.00 0.00 43.02 42.44 1xb9 s PHE 20 CO 0.34 -0.04 0.75 0.20 -1.46 0.00 0.00 175.22 175.01 1xb9 s GLY 21 N -0.19 -0.35 -0.08 13.12 0.00 -1.26 -1.15 107.32 117.41 1xb9 s GLY 21 Ca -0.02 0.23 -0.31 0.00 0.00 0.00 0.00 44.72 44.62 1xb9 s GLY 21 CO -0.00 0.07 0.76 0.00 0.00 0.00 0.00 173.10 173.93 1xb9 s GLU 23 N -1.17 3.43 -0.13 0.00 2.12 -1.26 -1.31 118.70 120.38 1xb9 s GLU 23 Ca -0.09 -0.60 -0.01 0.00 0.36 0.00 0.00 54.97 54.63 1xb9 s GLU 23 Cb -0.00 -2.74 -0.02 0.00 0.26 0.00 0.00 34.13 31.63 1xb9 s GLU 23 CO 0.08 0.28 -0.10 -0.51 -0.54 0.00 0.00 175.26 174.47 1xb9 s LEU 24 N 0.22 2.92 0.30 2.70 1.43 0.20 -4.91 118.68 121.54 1xb9 s LEU 24 Ca -0.06 -0.24 -0.10 0.00 -1.03 0.00 0.00 54.13 52.70 1xb9 s LEU 24 Cb -0.15 -1.67 0.01 0.00 0.03 0.00 0.00 46.19 44.41 1xb9 s LEU 24 CO 0.04 0.18 0.53 -1.59 0.23 0.00 0.00 176.35 175.74 1xb9 s LYS 25 N 0.28 1.78 0.30 1.70 -2.85 -0.20 -0.76 119.74 119.98 1xb9 s LYS 25 Ca -0.07 -1.45 0.02 0.00 -1.00 0.00 0.00 55.97 53.47 1xb9 s LYS 25 Cb -0.15 0.49 0.57 0.00 -2.06 0.00 0.00 37.83 36.67 1xb9 s LYS 25 CO 0.04 -0.76 1.89 0.00 0.10 0.00 0.00 175.35 176.63 1xb9 h ALA 26 N 2.16 1.55 -0.08 0.59 0.00 -1.93 0.26 119.26 121.82 1xb9 h ALA 26 Ca -0.28 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1xb9 h ALA 26 Cb 1.25 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1xb9 h ALA 26 CO 0.37 0.28 0.00 -0.40 0.00 0.00 0.00 179.25 179.50 1xb9 n ASP 27 N -4.53 1.58 -3.32 0.00 5.68 -1.26 -4.54 116.55 110.16 1xb9 n ASP 27 Ca 0.15 -1.58 -0.12 0.00 -0.50 0.00 0.00 54.79 52.74 1xb9 n ASP 27 Cb 0.27 -0.04 -0.06 0.00 -1.14 0.00 0.00 41.12 40.14 1xb9 n ASP 27 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 1xb9 s LYS 28 N -1.92 0.60 0.19 0.11 2.47 0.91 -5.00 119.74 117.10 1xb9 s LYS 28 Ca 0.36 -0.47 0.24 0.00 -1.56 0.00 0.00 55.97 54.54 1xb9 s LYS 28 Cb 0.20 -0.46 0.39 0.00 -1.46 0.00 0.00 37.83 36.50 1xb9 s LYS 28 CO 0.31 -1.15 1.41 0.87 0.16 0.00 0.00 175.35 176.95 1xb9 h LYS 29 N 7.38 0.00 -6.08 4.03 1.57 -1.74 -0.52 116.57 121.21 1xb9 h LYS 29 Ca 0.01 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.19 1xb9 h LYS 29 Cb 1.10 0.00 -0.27 0.00 0.08 0.00 0.00 32.23 33.13 1xb9 h LYS 29 CO 0.20 0.00 -0.85 -1.21 -0.57 0.00 0.00 179.45 177.03 1xb9 s GLU 30 N -3.19 1.52 -0.12 3.15 2.02 -1.26 -0.72 118.70 120.10 1xb9 s GLU 30 Ca 0.06 -0.86 0.01 0.00 0.02 0.00 0.00 54.97 54.20 1xb9 s GLU 30 Cb 0.12 -1.57 0.02 0.00 0.10 0.00 0.00 34.13 32.80 1xb9 s GLU 30 CO 0.70 0.41 -0.16 -0.47 0.02 0.00 0.00 175.26 175.77 1xb9 s TYR 31 N -0.67 2.08 -0.45 1.61 5.04 -0.26 -4.99 117.35 119.72 1xb9 s TYR 31 Ca 0.08 -1.04 -0.20 0.00 -2.44 0.00 0.00 57.07 53.47 1xb9 s TYR 31 Cb -0.08 -1.50 0.03 0.00 0.35 0.00 0.00 41.96 40.75 1xb9 s TYR 31 CO 0.01 -0.54 0.61 0.45 -1.34 0.00 0.00 175.55 174.74 1xb9 s SER 32 N 1.10 6.29 -0.31 4.32 0.15 -1.26 0.00 113.70 123.98 1xb9 s SER 32 Ca -0.04 -0.47 -0.17 0.00 0.70 0.00 0.00 55.95 55.98 1xb9 s SER 32 Cb -0.14 -2.30 -0.02 0.00 -1.71 0.00 0.00 66.02 61.85 1xb9 s SER 32 CO -0.04 -0.77 0.44 0.12 1.20 0.00 0.00 173.24 174.20 1xb9 s PHE 33 N 2.70 3.22 0.00 3.44 5.36 0.24 -4.97 117.98 127.97 1xb9 s PHE 33 Ca 0.20 0.28 -0.02 0.00 -0.96 0.00 0.00 56.93 56.43 1xb9 s PHE 33 Cb -0.15 -2.74 -0.01 0.00 -0.34 0.00 0.00 43.02 39.78 1xb9 s PHE 33 CO 0.17 -0.39 0.03 0.15 -1.46 0.00 0.00 175.22 173.72 1xb9 s LYS 34 N 2.21 0.21 -0.04 10.12 1.02 -1.26 -0.37 119.74 131.63 1xb9 s LYS 34 Ca 0.17 -0.26 -0.18 0.00 0.02 0.00 0.00 55.97 55.72 1xb9 s LYS 34 Cb -0.16 0.08 0.03 0.00 -0.52 0.00 0.00 37.83 37.27 1xb9 s LYS 34 CO 0.11 -0.04 0.40 0.54 -0.92 0.00 0.00 175.35 175.45 1xb9 s VAL 35 N -0.73 0.04 -0.15 3.17 0.11 -1.26 -5.09 120.40 116.49 1xb9 s VAL 35 Ca -0.08 -0.32 0.00 0.00 -2.93 0.00 0.00 61.98 58.65 1xb9 s VAL 35 Cb -0.05 -0.69 0.03 0.00 -1.53 0.00 0.00 36.38 34.13 1xb9 s VAL 35 CO -0.00 -0.18 -0.12 -0.70 -3.33 0.00 0.00 175.10 170.77 1xb9 s GLU 36 N -1.14 2.04 -0.19 1.54 2.56 -1.26 -4.99 118.70 117.26 1xb9 s GLU 36 Ca -0.12 -0.51 -0.09 0.00 0.00 0.00 0.00 54.97 54.25 1xb9 s GLU 36 Cb -0.04 -2.01 0.07 0.00 2.00 0.00 0.00 34.13 34.15 1xb9 s GLU 36 CO 0.05 -0.28 0.45 0.34 -0.56 0.00 0.00 175.26 175.26 1xb9 s ASP 37 N 1.54 -0.51 0.00 -1.70 -1.08 -1.26 -5.04 116.67 108.62 1xb9 s ASP 37 Ca 0.04 1.00 0.25 0.00 -0.52 0.00 0.00 52.55 53.32 1xb9 s ASP 37 Cb -0.13 1.01 0.53 0.00 -1.46 0.00 0.00 42.92 42.87 1xb9 s ASP 37 CO -0.10 -0.21 1.42 -0.90 0.52 0.00 0.00 175.17 175.91 1xb9 n ASP 38 N 4.58 0.82 -0.06 -0.34 5.68 -1.26 -4.48 116.55 121.48 1xb9 n ASP 38 Ca -0.19 -0.62 -0.08 0.00 -0.50 0.00 0.00 54.79 53.40 1xb9 n ASP 38 Cb 0.54 0.27 -0.05 0.00 -1.14 0.00 0.00 41.12 40.73 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 -1.09 0.38 -4.19 0.11 1.02 -1.26 -5.07 120.64 110.54 1xb9 n GLU 39 Ca 0.08 0.06 -0.30 0.00 -0.02 0.00 0.00 57.16 56.99 1xb9 n GLU 39 Cb 0.35 -1.23 -0.09 0.00 -0.02 0.00 0.00 31.44 30.44 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 -5.09 4.63 0.05 1.62 0.02 -1.26 -4.85 114.94 110.06 1xb9 s ASN 40 Ca -0.15 -0.31 -0.10 0.00 -1.02 0.00 0.00 52.86 51.28 1xb9 s ASN 40 Cb 0.04 -0.97 -0.06 0.00 0.02 0.00 0.00 41.25 40.28 1xb9 s ASN 40 CO 0.27 0.18 0.38 -0.70 0.02 0.00 0.00 177.10 177.25 1xb9 s GLU 41 N -2.25 3.76 0.07 -0.60 -6.30 0.58 -4.77 118.70 109.19 1xb9 s GLU 41 Ca 0.23 0.19 0.08 0.00 -2.50 0.00 0.00 54.97 52.96 1xb9 s GLU 41 Cb -0.11 -3.05 -0.04 0.00 0.00 0.00 0.00 34.13 30.93 1xb9 s GLU 41 CO 0.15 0.60 -0.18 -1.01 0.02 0.00 0.00 175.26 174.84 1xb9 s HIS 42 N -1.32 2.54 -0.01 5.30 3.76 -1.26 -0.89 115.29 123.42 1xb9 s HIS 42 Ca 0.30 -0.26 0.00 0.00 -0.15 0.00 0.00 55.06 54.95 1xb9 s HIS 42 Cb -0.14 -1.42 0.00 0.00 1.11 0.00 0.00 32.58 32.13 1xb9 s HIS 42 CO 0.16 0.30 -0.01 -0.65 -0.85 0.00 0.00 174.74 173.69 1xb9 s GLN 43 N -1.70 0.14 -0.33 1.40 -0.21 -0.56 -4.41 119.66 113.99 1xb9 s GLN 43 Ca 0.16 -0.03 -0.14 0.00 0.02 0.00 0.00 55.36 55.36 1xb9 s GLN 43 Cb -0.10 -0.18 -0.02 0.00 1.00 0.00 0.00 33.01 33.71 1xb9 s GLN 43 CO 0.07 0.01 0.31 -1.17 -2.12 0.00 0.00 175.29 172.39 1xb9 s LEU 44 N 0.13 4.41 -0.43 2.90 2.96 0.17 -0.24 118.68 128.58 1xb9 s LEU 44 Ca -0.01 -0.25 -0.14 0.00 -0.22 0.00 0.00 54.13 53.51 1xb9 s LEU 44 Cb -0.03 -2.26 0.05 0.00 0.50 0.00 0.00 46.19 44.45 1xb9 s LEU 44 CO -0.00 -0.27 0.32 -0.55 -1.32 0.00 0.00 176.35 174.53 1xb9 s SER 45 N 1.73 6.02 0.03 3.68 0.15 0.39 0.25 113.70 125.93 1xb9 s SER 45 Ca 0.10 -1.17 -0.27 0.00 0.70 0.00 0.00 55.95 55.31 1xb9 s SER 45 Cb -0.17 -2.13 -0.05 0.00 -1.71 0.00 0.00 66.02 61.97 1xb9 s SER 45 CO 0.11 -0.54 0.85 -0.76 1.20 0.00 0.00 173.24 174.11 1xb9 s LEU 46 N 1.61 4.42 -0.00 3.45 1.43 -0.17 -0.99 118.68 128.42 1xb9 s LEU 46 Ca 0.04 1.53 -0.01 0.00 -1.03 0.00 0.00 54.13 54.65 1xb9 s LEU 46 Cb -0.22 -3.37 -0.00 0.00 0.03 0.00 0.00 46.19 42.63 1xb9 s LEU 46 CO 0.07 -0.10 -0.03 0.54 0.23 0.00 0.00 176.35 177.07 1xb9 n ARG 47 N 3.26 0.04 -4.33 1.70 5.12 0.04 -1.39 116.66 121.10 1xb9 n ARG 47 Ca 0.01 0.02 -0.23 0.00 -1.93 0.00 0.00 57.85 55.72 1xb9 n ARG 47 Cb 0.50 -0.34 -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 -1.24 1.85 -0.08 0.55 -4.23 -0.97 0.60 115.64 112.12 1xb9 s THR 48 Ca -0.02 -1.84 0.04 0.00 -1.18 0.00 0.00 61.69 58.69 1xb9 s THR 48 Cb 0.00 -1.80 -0.01 0.00 1.34 0.00 0.00 72.50 72.03 1xb9 s THR 48 CO 0.03 -0.23 -0.20 -0.69 -0.54 0.00 0.00 174.62 172.99 1xb9 s VAL 49 N -1.79 2.48 0.06 2.29 1.01 -0.31 -0.69 120.40 123.46 1xb9 s VAL 49 Ca 0.14 -0.90 -0.05 0.00 0.00 0.00 0.00 61.98 61.17 1xb9 s VAL 49 Cb -0.07 -1.96 -0.02 0.00 0.00 0.00 0.00 36.38 34.33 1xb9 s VAL 49 CO 0.06 0.56 0.09 -0.94 0.00 0.00 0.00 175.10 174.87 1xb9 s SER 50 N -0.05 0.26 -0.14 3.32 1.04 0.37 -1.13 113.70 117.37 1xb9 s SER 50 Ca -0.05 -0.73 -0.07 0.00 0.48 0.00 0.00 55.95 55.58 1xb9 s SER 50 Cb -0.14 0.26 -0.04 0.00 0.10 0.00 0.00 66.02 66.19 1xb9 s SER 50 CO 0.04 -0.62 0.09 -0.76 0.98 0.00 0.00 173.24 172.97 1xb9 s LEU 51 N -2.66 4.03 0.75 2.42 1.43 -0.57 -0.26 118.68 123.83 1xb9 s LEU 51 Ca 0.03 0.25 -0.11 0.00 -1.03 0.00 0.00 54.13 53.27 1xb9 s LEU 51 Cb 0.04 -1.99 0.04 0.00 0.03 0.00 0.00 46.19 44.31 1xb9 s LEU 51 CO -0.09 0.30 1.09 -0.83 0.23 0.00 0.00 176.35 177.05 1xb9 s GLY 52 N -0.38 1.63 0.28 -3.19 0.00 -0.66 -4.98 107.32 100.03 1xb9 s GLY 52 Ca 0.10 -0.17 -0.00 0.00 0.00 0.00 0.00 44.72 44.64 1xb9 s GLY 52 CO 0.02 0.21 1.64 0.00 0.00 0.00 0.00 173.10 174.96 1xb9 h ALA 53 N -0.90 1.13 -0.48 3.20 0.00 -1.97 -2.85 119.26 117.40 1xb9 h ALA 53 Ca -0.46 0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1xb9 h ALA 53 Cb 1.25 0.37 0.00 0.00 0.00 0.00 0.00 17.79 19.41 1xb9 h ALA 53 CO 0.60 -0.47 0.00 -1.13 0.00 0.00 0.00 179.25 178.25 1xb9 n SER 54 N -5.28 2.89 -4.77 0.00 3.41 -1.26 -4.95 113.62 103.65 1xb9 n SER 54 Ca 0.19 -2.10 -0.40 0.00 -0.26 0.00 0.00 58.87 56.31 1xb9 n SER 54 Cb 0.64 -0.38 -0.01 0.00 -0.26 0.00 0.00 64.21 64.20 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 -1.47 3.43 0.37 7.33 0.00 -1.08 -4.88 121.76 125.47 1xb9 s ALA 55 Ca 0.34 1.31 -0.28 0.00 0.00 0.00 0.00 51.96 53.33 1xb9 s ALA 55 Cb 0.19 -3.51 -0.11 0.00 0.00 0.00 0.00 23.12 19.69 1xb9 s ALA 55 CO 0.21 -0.79 1.47 0.21 0.00 0.00 0.00 175.76 176.86 1xb9 s LYS 56 N -2.01 4.13 -1.11 0.00 2.20 -1.26 -4.88 119.74 116.82 1xb9 s LYS 56 Ca 0.52 2.54 -0.21 0.00 -0.36 0.00 0.00 55.97 58.46 1xb9 s LYS 56 Cb -0.40 -2.98 -0.08 0.00 -1.51 0.00 0.00 37.83 32.86 1xb9 s LYS 56 CO 0.54 -0.50 1.92 -3.47 -0.36 0.00 0.00 175.35 173.47 1xb9 n ASP 57 N 0.49 3.25 -3.67 1.43 4.64 -1.26 -4.69 116.55 116.73 1xb9 n ASP 57 Ca 0.01 -2.73 -0.10 0.00 -1.38 0.00 0.00 54.79 50.58 1xb9 n ASP 57 Cb 0.39 -1.57 -0.04 0.00 -1.04 0.00 0.00 41.12 38.86 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 5.56 1.19 0.20 -0.67 -1.05 -1.26 -4.94 118.70 117.72 1xb9 s GLU 58 Ca 0.62 -0.77 -0.31 0.00 -0.15 0.00 0.00 54.97 54.36 1xb9 s GLU 58 Cb 0.05 0.49 -0.10 0.00 -0.44 0.00 0.00 34.13 34.13 1xb9 s GLU 58 CO 0.11 -0.48 1.55 -1.17 0.95 0.00 0.00 175.26 176.22 1xb9 s LEU 59 N -2.83 4.37 -0.03 1.83 2.96 -1.26 -4.43 118.68 119.29 1xb9 s LEU 59 Ca 0.06 2.67 0.05 0.00 -0.22 0.00 0.00 54.13 56.68 1xb9 s LEU 59 Cb 0.01 -3.60 -0.03 0.00 0.50 0.00 0.00 46.19 43.07 1xb9 s LEU 59 CO -0.08 -0.81 -0.16 -1.00 -1.32 0.00 0.00 176.35 172.97 1xb9 s HIS 60 N 0.79 2.64 -0.09 5.38 3.76 0.14 -4.02 115.29 123.89 1xb9 s HIS 60 Ca 0.67 -0.20 0.02 0.00 -0.15 0.00 0.00 55.06 55.40 1xb9 s HIS 60 Cb -0.44 -1.59 0.01 0.00 1.11 0.00 0.00 32.58 31.68 1xb9 s HIS 60 CO 0.35 0.18 -0.14 0.08 -0.85 0.00 0.00 174.74 174.37 1xb9 s VAL 61 N -0.76 1.35 -0.10 -0.90 1.01 -0.50 -0.48 120.40 120.01 1xb9 s VAL 61 Ca 0.12 -0.56 -0.00 0.00 0.00 0.00 0.00 61.98 61.53 1xb9 s VAL 61 Cb -0.11 -1.24 -0.02 0.00 0.00 0.00 0.00 36.38 35.01 1xb9 s VAL 61 CO 0.01 0.41 -0.08 -0.69 0.00 0.00 0.00 175.10 174.75 1xb9 s VAL 62 N 0.94 3.52 0.18 2.92 1.01 -0.89 0.62 120.40 128.70 1xb9 s VAL 62 Ca -0.08 -0.52 0.06 0.00 0.00 0.00 0.00 61.98 61.43 1xb9 s VAL 62 Cb -0.15 -2.47 -0.05 0.00 0.00 0.00 0.00 36.38 33.71 1xb9 s VAL 62 CO -0.00 0.55 -0.11 -1.83 0.00 0.00 0.00 175.10 173.71 1xb9 s GLU 63 N -0.20 1.18 0.01 2.72 -1.05 0.13 0.02 118.70 121.52 1xb9 s GLU 63 Ca 0.02 -1.52 0.08 0.00 -0.15 0.00 0.00 54.97 53.40 1xb9 s GLU 63 Cb -0.13 -0.81 -0.02 0.00 -0.44 0.00 0.00 34.13 32.72 1xb9 s GLU 63 CO 0.03 0.10 -0.25 0.00 0.95 0.00 0.00 175.26 176.09 1xb9 s ALA 64 N -3.20 2.12 -0.14 -0.84 0.00 -0.18 -0.11 121.76 119.41 1xb9 s ALA 64 Ca 0.20 -1.16 0.01 0.00 0.00 0.00 0.00 51.96 51.01 1xb9 s ALA 64 Cb 0.02 -0.49 0.02 0.00 0.00 0.00 0.00 23.12 22.67 1xb9 s ALA 64 CO 0.03 0.51 -0.14 -2.00 0.00 0.00 0.00 175.76 174.16 1xb9 s GLU 65 N -0.92 2.27 0.00 0.00 2.12 0.64 -1.54 118.70 121.26 1xb9 s GLU 65 Ca 0.10 -0.55 0.00 0.00 0.36 0.00 0.00 54.97 54.88 1xb9 s GLU 65 Cb -0.10 -2.05 0.00 0.00 0.26 0.00 0.00 34.13 32.24 1xb9 s GLU 65 CO 0.01 -0.21 0.00 0.41 -0.54 0.00 0.00 175.26 174.93 1xb9 n GLY 66 N 4.68 1.70 3.87 -1.50 0.00 -0.74 -1.67 105.19 111.52 1xb9 n GLY 66 Ca -0.17 -0.93 -0.37 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 -2.76 5.41 0.74 -0.61 -1.09 -1.26 0.42 121.20 122.04 1xb9 s ILE 67 Ca 0.00 0.34 -0.06 0.00 -2.23 0.00 0.00 60.65 58.71 1xb9 s ILE 67 Cb 0.00 -3.47 0.10 0.00 -1.58 0.00 0.00 42.46 37.52 1xb9 s ILE 67 CO 0.00 0.61 1.04 0.54 -1.23 0.00 0.00 174.94 175.90 1xb9 s ASN 68 N -1.00 4.40 0.46 3.58 2.20 0.11 -4.91 114.94 119.77 1xb9 s ASN 68 Ca 0.17 0.11 0.32 0.00 -0.94 0.00 0.00 52.86 52.51 1xb9 s ASN 68 Cb -0.13 -0.59 1.60 0.00 -2.00 0.00 0.00 41.25 40.14 1xb9 s ASN 68 CO 0.06 -1.84 1.96 0.10 -2.94 0.00 0.00 177.10 174.43 1xb9 h TYR 69 N -0.70 0.00 0.00 1.54 -0.00 -1.99 0.12 116.97 115.94 1xb9 h TYR 69 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.31 1xb9 h TYR 69 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 36.73 38.01 1xb9 h TYR 69 CO -0.11 0.00 0.00 0.39 -0.00 0.00 0.00 178.16 178.44 1xb9 n GLU 70 N -2.65 1.00 -0.97 0.10 4.71 -1.26 -4.93 120.64 116.64 1xb9 n GLU 70 Ca -0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.14 1xb9 n GLU 70 Cb 0.11 -1.13 0.00 0.00 -1.01 0.00 0.00 31.44 29.42 1xb9 n GLU 70 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1xb9 n GLY 71 N 0.37 0.28 3.80 0.62 0.00 0.42 -5.01 105.19 105.66 1xb9 n GLY 71 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.95 4.14 0.00 1.61 2.47 -1.26 -4.77 119.74 120.98 1xb9 s LYS 72 Ca 0.00 0.58 -0.23 0.00 -1.56 0.00 0.00 55.97 54.77 1xb9 s LYS 72 Cb 0.00 -3.28 -0.05 0.00 -1.46 0.00 0.00 37.83 33.04 1xb9 s LYS 72 CO 0.00 0.55 0.67 0.99 0.16 0.00 0.00 175.35 177.73 1xb9 s THR 73 N -0.72 4.87 0.09 3.43 2.01 -1.26 0.07 115.64 124.13 1xb9 s THR 73 Ca 0.27 1.42 -0.00 0.00 0.31 0.00 0.00 61.69 63.68 1xb9 s THR 73 Cb -0.18 -4.02 -0.04 0.00 0.01 0.00 0.00 72.50 68.28 1xb9 s THR 73 CO 0.16 0.37 -0.01 0.27 -0.69 0.00 0.00 174.62 174.72 1xb9 s ILE 74 N 0.04 0.30 -0.08 1.82 -4.36 0.17 -4.93 121.20 114.16 1xb9 s ILE 74 Ca 0.35 -1.88 0.04 0.00 -0.26 0.00 0.00 60.65 58.90 1xb9 s ILE 74 Cb -0.19 -1.77 -0.01 0.00 1.25 0.00 0.00 42.46 41.74 1xb9 s ILE 74 CO 0.19 -0.76 -0.21 -0.54 0.24 0.00 0.00 174.94 173.86 1xb9 s LYS 75 N -3.95 2.82 -0.01 0.37 1.02 -1.26 -1.80 119.74 116.93 1xb9 s LYS 75 Ca 0.15 -0.82 0.03 0.00 0.02 0.00 0.00 55.97 55.35 1xb9 s LYS 75 Cb 0.07 -2.32 -0.01 0.00 -0.52 0.00 0.00 37.83 35.05 1xb9 s LYS 75 CO -0.04 0.34 -0.11 0.96 -0.92 0.00 0.00 175.35 175.58 1xb9 s ILE 76 N -0.04 0.86 -0.14 2.17 -4.36 -0.59 -4.98 121.20 114.11 1xb9 s ILE 76 Ca -0.06 -0.46 -0.26 0.00 -0.26 0.00 0.00 60.65 59.61 1xb9 s ILE 76 Cb -0.15 -0.72 -0.02 0.00 1.25 0.00 0.00 42.46 42.83 1xb9 s ILE 76 CO 0.05 0.24 0.86 0.00 0.24 0.00 0.00 174.94 176.33 1xb9 s ALA 77 N -0.23 3.47 -0.09 2.27 0.00 -1.26 -1.01 121.76 124.91 1xb9 s ALA 77 Ca 0.04 0.13 -0.19 0.00 0.00 0.00 0.00 51.96 51.94 1xb9 s ALA 77 Cb -0.04 -3.25 -0.28 0.00 0.00 0.00 0.00 23.12 19.54 1xb9 s ALA 77 CO -0.00 -0.58 0.68 -0.07 0.00 0.00 0.00 175.76 175.79 1xb9 h LEU 78 N 8.08 0.37 -7.11 0.00 3.38 -0.74 -3.48 115.31 115.80 1xb9 h LEU 78 Ca -0.31 -0.88 -0.07 0.00 0.09 0.00 0.00 57.88 56.71 1xb9 h LEU 78 Cb 1.14 -0.12 -0.20 0.00 0.09 0.00 0.00 40.66 41.57 1xb9 h LEU 78 CO 0.83 1.48 0.07 0.00 0.09 0.00 0.00 178.44 180.92 1xb9 s ALA 79 N -2.44 -1.55 -0.12 1.53 0.00 -1.11 -5.03 121.76 113.05 1xb9 s ALA 79 Ca -0.18 1.24 0.03 0.00 0.00 0.00 0.00 51.96 53.05 1xb9 s ALA 79 Cb 0.03 -0.21 -0.00 0.00 0.00 0.00 0.00 23.12 22.93 1xb9 s ALA 79 CO 0.78 -0.33 -0.21 -1.12 0.00 0.00 0.00 175.76 174.87 1xb9 s SER 80 N -0.88 3.29 0.08 0.00 0.01 -1.26 -2.09 113.70 112.85 1xb9 s SER 80 Ca -0.09 -0.52 0.03 0.00 1.31 0.00 0.00 55.95 56.68 1xb9 s SER 80 Cb -0.02 -1.46 -0.03 0.00 0.21 0.00 0.00 66.02 64.72 1xb9 s SER 80 CO 0.07 0.14 -0.09 -0.76 0.41 0.00 0.00 173.24 173.01 1xb9 s LEU 81 N 0.47 2.39 -0.23 2.44 1.02 0.37 -4.95 118.68 120.19 1xb9 s LEU 81 Ca -0.14 -0.78 -0.13 0.00 0.02 0.00 0.00 54.13 53.09 1xb9 s LEU 81 Cb -0.17 -0.24 0.07 0.00 0.02 0.00 0.00 46.19 45.87 1xb9 s LEU 81 CO 0.06 -0.28 0.56 -0.75 0.02 0.00 0.00 176.35 175.96 1xb9 s LYS 82 N -2.68 0.57 0.31 1.70 2.20 -1.05 0.27 119.74 121.06 1xb9 s LYS 82 Ca 0.03 1.02 0.03 0.00 -0.36 0.00 0.00 55.97 56.69 1xb9 s LYS 82 Cb -0.03 0.07 0.61 0.00 -1.51 0.00 0.00 37.83 36.97 1xb9 s LYS 82 CO -0.01 -0.15 1.87 -1.35 -0.36 0.00 0.00 175.35 175.35 1xb9 h PRO 83 N 6.98 0.91 -0.01 4.03 0.11 -1.82 0.32 132.00 142.52 1xb9 h PRO 83 Ca -0.33 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.73 1xb9 h PRO 83 Cb 1.21 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1xb9 h PRO 83 CO 0.22 0.60 -0.16 -1.13 -0.21 0.00 0.00 178.00 177.32 1xb9 n SER 84 N -4.56 0.87 0.01 -2.05 3.41 -1.26 -4.29 113.62 105.75 1xb9 n SER 84 Ca 0.17 -0.87 0.00 0.00 -0.26 0.00 0.00 58.87 57.90 1xb9 n SER 84 Cb 0.33 0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 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 -0.64 0.29 -3.11 -3.33 0.31 -0.66 -5.02 118.33 106.18 1xb9 n VAL 85 Ca 0.14 0.10 -0.07 0.00 -0.01 0.00 0.00 64.34 64.50 1xb9 n VAL 85 Cb 0.32 -1.47 -0.02 0.00 -0.91 0.00 0.00 33.84 31.75 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 0.88 0.44 5.55 0.74 0.10 -4.98 119.66 120.39 1xb9 s GLN 86 Ca 0.00 -0.81 0.26 0.00 0.05 0.00 0.00 55.36 54.86 1xb9 s GLN 86 Cb 0.00 -0.24 0.72 0.00 1.10 0.00 0.00 33.01 34.59 1xb9 s GLN 86 CO 0.00 -1.26 1.74 -1.00 -0.55 0.00 0.00 175.29 174.23 1xb9 h PRO 87 N 6.23 0.00 -4.40 1.67 0.13 -1.73 -2.77 132.00 131.12 1xb9 h PRO 87 Ca 0.07 0.00 -0.41 0.00 -0.87 0.00 0.00 66.00 64.80 1xb9 h PRO 87 Cb 1.11 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 31.93 1xb9 h PRO 87 CO 0.11 0.00 -0.78 0.99 -0.23 0.00 0.00 178.00 178.09 1xb9 s THR 88 N -3.34 0.66 -0.14 1.56 2.01 -1.26 -1.51 115.64 113.62 1xb9 s THR 88 Ca 0.06 -0.28 0.02 0.00 0.31 0.00 0.00 61.69 61.80 1xb9 s THR 88 Cb 0.07 -0.61 0.00 0.00 0.01 0.00 0.00 72.50 71.98 1xb9 s THR 88 CO 0.61 0.22 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.88 1xb9 s VAL 89 N 0.32 2.34 -0.19 3.82 1.01 -0.28 -5.00 120.40 122.42 1xb9 s VAL 89 Ca -0.05 -0.89 -0.12 0.00 0.00 0.00 0.00 61.98 60.92 1xb9 s VAL 89 Cb -0.09 -1.95 -0.05 0.00 0.00 0.00 0.00 36.38 34.29 1xb9 s VAL 89 CO 0.00 0.54 0.23 -0.55 0.00 0.00 0.00 175.10 175.32 1xb9 s SER 90 N 0.69 6.32 0.00 3.32 0.15 -1.26 -1.16 113.70 121.76 1xb9 s SER 90 Ca -0.09 0.36 0.23 0.00 0.70 0.00 0.00 55.95 57.15 1xb9 s SER 90 Cb -0.16 -2.15 0.19 0.00 -1.71 0.00 0.00 66.02 62.19 1xb9 s SER 90 CO 0.01 0.10 1.19 0.18 1.20 0.00 0.00 173.24 175.92 1xb9 n LEU 91 N 3.75 0.70 -0.08 3.45 4.77 0.20 -4.97 117.00 124.82 1xb9 n LEU 91 Ca -0.13 -0.20 -0.01 0.00 -0.03 0.00 0.00 56.01 55.64 1xb9 n LEU 91 Cb 0.52 -0.14 -0.00 0.00 -2.33 0.00 0.00 43.42 41.46 1xb9 n LEU 91 CO 0.38 0.17 -0.01 0.61 -1.33 0.00 0.00 177.39 177.21 1xb9 n GLY 92 N 1.49 0.49 0.59 -0.72 0.00 -1.24 -4.04 105.19 101.76 1xb9 n GLY 92 Ca 0.05 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.56 0.81 3.54 -0.02 0.00 -0.49 -5.00 105.19 101.47 1xb9 n GLY 93 Ca -0.01 -0.51 -0.41 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.29 2.40 0.09 1.61 5.99 -0.55 -4.72 117.98 120.52 1xb9 s PHE 94 Ca 0.00 -0.32 -0.30 0.00 0.00 0.00 0.00 56.93 56.31 1xb9 s PHE 94 Cb 0.00 -4.60 -0.05 0.00 0.00 0.00 0.00 43.02 38.37 1xb9 s PHE 94 CO 0.00 -1.98 0.96 -1.21 -0.00 0.00 0.00 175.22 172.99 1xb9 s GLU 95 N 5.30 4.68 -0.06 10.12 2.02 -1.26 -1.00 118.70 138.50 1xb9 s GLU 95 Ca 0.36 1.45 0.02 0.00 0.02 0.00 0.00 54.97 56.81 1xb9 s GLU 95 Cb -0.07 -3.39 0.02 0.00 0.10 0.00 0.00 34.13 30.79 1xb9 s GLU 95 CO 0.08 0.17 -0.10 0.42 0.02 0.00 0.00 175.26 175.86 1xb9 s ILE 96 N 0.16 0.93 -0.01 -1.63 1.01 0.14 -4.98 121.20 116.82 1xb9 s ILE 96 Ca 0.48 -0.36 -0.30 0.00 0.00 0.00 0.00 60.65 60.47 1xb9 s ILE 96 Cb -0.23 -0.88 -0.04 0.00 0.01 0.00 0.00 42.46 41.32 1xb9 s ILE 96 CO 0.30 0.31 1.16 -0.89 0.00 0.00 0.00 174.94 175.81 1xb9 s THR 97 N 0.77 4.30 0.63 2.92 2.01 -1.26 -0.65 115.64 124.35 1xb9 s THR 97 Ca -0.13 1.64 -0.16 0.00 0.31 0.00 0.00 61.69 63.34 1xb9 s THR 97 Cb -0.15 -4.05 -0.01 0.00 0.01 0.00 0.00 72.50 68.29 1xb9 s THR 97 CO 0.02 0.06 1.12 -2.16 -0.69 0.00 0.00 174.62 172.97 1xb9 s PRO 98 N 1.62 2.93 0.53 4.92 0.04 -1.26 -4.58 135.00 139.19 1xb9 s PRO 98 Ca 0.56 1.45 -0.10 0.00 0.04 0.00 0.00 61.00 62.95 1xb9 s PRO 98 Cb -0.25 -1.96 -0.05 0.00 0.04 0.00 0.00 34.50 32.28 1xb9 s PRO 98 CO 0.25 -1.16 0.91 -2.14 0.04 0.00 0.00 177.00 174.91 1xb9 s PRO 99 N -3.89 3.65 -0.24 0.56 0.02 -1.26 -4.96 135.00 128.88 1xb9 s PRO 99 Ca 0.69 0.57 -0.20 0.00 0.02 0.00 0.00 61.00 62.07 1xb9 s PRO 99 Cb -0.22 -2.22 0.06 0.00 0.02 0.00 0.00 34.50 32.15 1xb9 s PRO 99 CO 0.38 -0.35 0.63 0.54 -0.33 0.00 0.00 177.00 177.88 1xb9 s VAL 100 N -2.86 -0.00 -0.16 3.83 0.11 0.50 -4.68 120.40 117.14 1xb9 s VAL 100 Ca 0.53 0.01 -0.06 0.00 -2.93 0.00 0.00 61.98 59.52 1xb9 s VAL 100 Cb -0.11 -0.89 -0.04 0.00 -1.53 0.00 0.00 36.38 33.81 1xb9 s VAL 100 CO 0.45 0.00 0.06 -0.63 -3.33 0.00 0.00 175.10 171.66 1xb9 s ILE 101 N 0.62 4.82 -0.15 7.04 1.01 -0.67 0.82 121.20 134.69 1xb9 s ILE 101 Ca -0.02 -0.03 -0.05 0.00 0.00 0.00 0.00 60.65 60.55 1xb9 s ILE 101 Cb -0.05 -3.14 -0.03 0.00 0.01 0.00 0.00 42.46 39.25 1xb9 s ILE 101 CO -0.03 0.51 0.01 -0.76 0.00 0.00 0.00 174.94 174.66 1xb9 s LEU 102 N -0.04 3.53 -0.02 2.97 1.43 0.10 -0.26 118.68 126.40 1xb9 s LEU 102 Ca 0.06 0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.18 1xb9 s LEU 102 Cb -0.12 -1.86 0.02 0.00 0.03 0.00 0.00 46.19 44.26 1xb9 s LEU 102 CO 0.01 0.22 0.01 -0.60 0.23 0.00 0.00 176.35 176.21 1xb9 s ARG 103 N 0.09 0.15 -0.44 1.70 3.52 0.84 -1.10 118.95 123.70 1xb9 s ARG 103 Ca 0.02 0.08 -0.28 0.00 -0.13 0.00 0.00 55.73 55.42 1xb9 s ARG 103 Cb -0.13 -0.32 -0.01 0.00 -1.56 0.00 0.00 34.95 32.93 1xb9 s ARG 103 CO 0.02 -0.10 1.73 -1.17 -0.81 0.00 0.00 175.30 174.97 1xb9 s LEU 104 N 0.77 3.45 -0.04 -0.88 0.20 0.11 -0.70 118.68 121.59 1xb9 s LEU 104 Ca -0.07 0.88 0.09 0.00 0.69 0.00 0.00 54.13 55.72 1xb9 s LEU 104 Cb -0.10 -3.20 -0.24 0.00 -0.43 0.00 0.00 46.19 42.22 1xb9 s LEU 104 CO -0.02 -1.87 0.69 0.50 -0.29 0.00 0.00 176.35 175.37 1xb9 h LYS 105 N 13.06 0.05 -2.79 1.98 3.64 -0.15 -3.48 116.57 128.87 1xb9 h LYS 105 Ca -0.30 -0.09 0.03 0.00 -1.27 0.00 0.00 60.65 59.02 1xb9 h LYS 105 Cb 1.15 0.03 -0.12 0.00 -0.41 0.00 0.00 32.23 32.88 1xb9 h LYS 105 CO 1.10 0.66 0.29 -1.54 -2.27 0.00 0.00 179.45 177.70 1xb9 s SER 106 N -6.32 -0.48 0.00 4.20 1.04 -1.10 -4.96 113.70 106.08 1xb9 s SER 106 Ca -0.07 -0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.31 1xb9 s SER 106 Cb 0.08 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.75 1xb9 s SER 106 CO 0.82 -0.91 0.00 0.61 0.98 0.00 0.00 173.24 174.74 1xb9 n GLY 107 N -0.35 1.86 0.29 7.32 0.00 -1.26 -1.42 105.19 111.63 1xb9 n GLY 107 Ca -0.14 -1.78 -0.05 0.00 0.00 0.00 0.00 46.02 44.05 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 0.81 -3.40 1.61 4.64 -1.89 -3.48 113.55 111.84 1xb9 h SER 108 Ca 0.00 -0.20 0.02 0.00 -0.47 0.00 0.00 61.79 61.13 1xb9 h SER 108 Cb 0.00 -0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 61.87 1xb9 h SER 108 CO 0.00 0.88 -0.02 0.61 -0.87 0.00 0.00 176.83 177.43 1xb9 n GLY 109 N -0.59 -1.90 3.80 -0.77 0.00 -1.26 -3.87 105.19 100.60 1xb9 n GLY 109 Ca 0.03 -1.35 -0.33 0.00 0.00 0.00 0.00 46.02 44.36 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 -0.24 3.54 0.06 1.61 0.04 -1.26 -3.90 135.00 134.85 1xb9 s PRO 110 Ca 0.00 1.27 0.08 0.00 0.04 0.00 0.00 61.00 62.39 1xb9 s PRO 110 Cb 0.00 -2.06 -0.03 0.00 0.04 0.00 0.00 34.50 32.45 1xb9 s PRO 110 CO 0.00 -0.64 -0.22 0.08 0.04 0.00 0.00 177.00 176.26 1xb9 s VAL 111 N -2.25 2.50 -0.01 -0.36 1.01 0.06 -1.65 120.40 119.70 1xb9 s VAL 111 Ca 0.65 -1.34 0.08 0.00 0.00 0.00 0.00 61.98 61.37 1xb9 s VAL 111 Cb -0.16 -2.03 -0.02 0.00 0.00 0.00 0.00 36.38 34.16 1xb9 s VAL 111 CO 0.30 0.31 -0.24 -0.31 0.00 0.00 0.00 175.10 175.16 1xb9 s TYR 112 N -0.91 2.14 -0.02 5.22 1.51 0.65 -0.63 117.35 125.32 1xb9 s TYR 112 Ca 0.14 -0.40 0.07 0.00 -1.01 0.00 0.00 57.07 55.87 1xb9 s TYR 112 Cb -0.10 -1.36 -0.02 0.00 -0.11 0.00 0.00 41.96 40.37 1xb9 s TYR 112 CO 0.04 -0.01 -0.24 0.08 -1.11 0.00 0.00 175.55 174.32 1xb9 s VAL 113 N -0.61 1.88 0.09 0.71 1.01 -0.43 -0.48 120.40 122.58 1xb9 s VAL 113 Ca 0.09 -1.03 0.05 0.00 0.00 0.00 0.00 61.98 61.10 1xb9 s VAL 113 Cb -0.09 -1.56 -0.03 0.00 0.00 0.00 0.00 36.38 34.69 1xb9 s VAL 113 CO -0.00 0.52 -0.13 -0.94 0.00 0.00 0.00 175.10 174.54 1xb9 s SER 114 N -0.59 1.74 0.00 3.32 1.04 0.13 -1.70 113.70 117.64 1xb9 s SER 114 Ca 0.09 -0.72 0.00 0.00 0.48 0.00 0.00 55.95 55.80 1xb9 s SER 114 Cb -0.09 -0.04 0.00 0.00 0.10 0.00 0.00 66.02 65.98 1xb9 s SER 114 CO -0.01 -0.14 0.00 0.61 0.98 0.00 0.00 173.24 174.68 1xb9 n GLY 115 N 0.88 -0.62 3.34 7.32 0.00 -0.30 -0.78 105.19 115.03 1xb9 n GLY 115 Ca -0.18 -0.62 -0.28 0.00 0.00 0.00 0.00 46.02 44.94 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 -0.04 1.43 -0.33 1.61 -0.21 -0.17 -1.83 119.66 120.12 1xb9 s GLN 116 Ca 0.00 -1.20 -0.07 0.00 0.02 0.00 0.00 55.36 54.11 1xb9 s GLN 116 Cb 0.00 -1.75 0.03 0.00 1.00 0.00 0.00 33.01 32.29 1xb9 s GLN 116 CO 0.00 0.43 0.10 -1.58 -2.12 0.00 0.00 175.29 172.12 1xb9 s HIS 117 N -0.99 3.22 -0.08 0.91 5.65 0.57 -0.46 115.29 124.11 1xb9 s HIS 117 Ca 0.11 -1.27 -0.07 0.00 0.25 0.00 0.00 55.06 54.08 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 0.04 -0.68 0.18 -0.51 -0.65 0.00 0.00 174.74 173.12 1xb9 s LEU 118 N 1.44 4.39 -0.10 8.88 1.43 0.67 -1.58 118.68 133.81 1xb9 s LEU 118 Ca -0.00 0.50 -0.03 0.00 -1.03 0.00 0.00 54.13 53.57 1xb9 s LEU 118 Cb -0.19 -2.25 0.04 0.00 0.03 0.00 0.00 46.19 43.82 1xb9 s LEU 118 CO 0.03 0.37 0.05 -0.69 0.23 0.00 0.00 176.35 176.33 1xb9 s VAL 119 N -1.11 0.10 -0.23 -1.59 1.01 -0.64 -1.50 120.40 116.44 1xb9 s VAL 119 Ca 0.19 0.10 -0.01 0.00 0.00 0.00 0.00 61.98 62.25 1xb9 s VAL 119 Cb -0.13 -0.45 0.02 0.00 0.00 0.00 0.00 36.38 35.82 1xb9 s VAL 119 CO 0.08 0.05 -0.08 0.00 0.00 0.00 0.00 175.10 175.15 1xb9 s ALA 120 N 2.08 2.65 -2.41 5.51 0.00 -0.07 -0.67 121.76 128.86 1xb9 s ALA 120 Ca 0.04 -1.38 0.29 0.00 0.00 0.00 0.00 51.96 50.90 1xb9 s ALA 120 Cb -0.14 -1.60 1.21 0.00 0.00 0.00 0.00 23.12 22.59 1xb9 s ALA 120 CO -0.06 -0.68 1.84 1.28 0.00 0.00 0.00 175.76 178.14