#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 3.43 -0.08 -1.46 -0.21 0.50 -4.96 119.66 116.88 1xb9 s GLN 16 Ca 0.00 -0.66 -0.02 0.00 0.02 0.00 0.00 55.36 54.70 1xb9 s GLN 16 Cb 0.00 -2.93 0.03 0.00 1.00 0.00 0.00 33.01 31.11 1xb9 s GLN 16 CO 0.00 0.49 0.03 1.21 -2.12 0.00 0.00 175.29 174.90 1xb9 s ASN 17 N -3.51 1.65 0.31 5.90 2.47 -1.26 -1.56 114.94 118.94 1xb9 s ASN 17 Ca 0.34 -0.15 0.10 0.00 0.42 0.00 0.00 52.86 53.57 1xb9 s ASN 17 Cb -0.10 -0.34 -0.06 0.00 -1.45 0.00 0.00 41.25 39.30 1xb9 s ASN 17 CO 0.29 -0.24 -0.14 -0.36 -3.72 0.00 0.00 177.10 172.93 1xb9 s PHE 18 N 2.04 2.32 0.43 0.43 0.40 0.64 -4.96 117.98 119.28 1xb9 s PHE 18 Ca 0.04 -0.44 -0.24 0.00 -0.60 0.00 0.00 56.93 55.70 1xb9 s PHE 18 Cb -0.13 -1.19 -0.08 0.00 0.51 0.00 0.00 43.02 42.13 1xb9 s PHE 18 CO -0.05 0.63 1.15 -0.51 0.70 0.00 0.00 175.22 177.14 1xb9 s LEU 19 N -3.55 4.08 -0.04 -0.37 1.43 -1.26 -0.19 118.68 118.78 1xb9 s LEU 19 Ca 0.31 2.28 0.04 0.00 -1.03 0.00 0.00 54.13 55.73 1xb9 s LEU 19 Cb -0.01 -4.17 -0.00 0.00 0.03 0.00 0.00 46.19 42.04 1xb9 s LEU 19 CO 0.15 -0.78 -0.16 0.12 0.23 0.00 0.00 176.35 175.91 1xb9 s PHE 20 N -1.52 1.61 0.05 0.29 5.36 -0.06 -4.48 117.98 119.23 1xb9 s PHE 20 Ca 0.61 -0.43 -0.14 0.00 -0.96 0.00 0.00 56.93 56.00 1xb9 s PHE 20 Cb -0.28 -1.08 0.02 0.00 -0.34 0.00 0.00 43.02 41.34 1xb9 s PHE 20 CO 0.35 -0.13 0.32 0.20 -1.46 0.00 0.00 175.22 174.50 1xb9 s GLY 21 N -0.03 -0.15 0.13 13.12 0.00 -1.26 -0.37 107.32 118.77 1xb9 s GLY 21 Ca -0.02 0.04 -0.08 0.00 0.00 0.00 0.00 44.72 44.66 1xb9 s GLY 21 CO 0.01 -0.19 0.21 0.00 0.00 0.00 0.00 173.10 173.14 1xb9 s GLU 23 N -3.94 2.77 -0.20 0.00 2.12 -1.26 -1.72 118.70 116.47 1xb9 s GLU 23 Ca 0.14 -0.76 -0.07 0.00 0.36 0.00 0.00 54.97 54.64 1xb9 s GLU 23 Cb 0.04 -2.32 -0.04 0.00 0.26 0.00 0.00 34.13 32.08 1xb9 s GLU 23 CO -0.04 -0.09 0.07 -0.51 -0.54 0.00 0.00 175.26 174.15 1xb9 s LEU 24 N 1.03 3.72 0.16 2.70 1.43 0.92 -4.96 118.68 123.68 1xb9 s LEU 24 Ca -0.03 0.00 -0.05 0.00 -1.03 0.00 0.00 54.13 53.03 1xb9 s LEU 24 Cb -0.15 -1.96 -0.03 0.00 0.03 0.00 0.00 46.19 44.09 1xb9 s LEU 24 CO -0.05 0.11 0.17 -1.59 0.23 0.00 0.00 176.35 175.22 1xb9 s LYS 25 N 0.75 1.07 0.30 1.70 -2.85 -0.60 -1.09 119.74 119.02 1xb9 s LYS 25 Ca 0.04 -1.34 0.04 0.00 -1.00 0.00 0.00 55.97 53.71 1xb9 s LYS 25 Cb -0.13 0.31 0.79 0.00 -2.06 0.00 0.00 37.83 36.73 1xb9 s LYS 25 CO 0.02 -0.35 1.64 0.00 0.10 0.00 0.00 175.35 176.76 1xb9 h ALA 26 N 2.69 1.39 -0.33 0.59 0.00 -1.89 0.14 119.26 121.85 1xb9 h ALA 26 Ca -0.33 0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1xb9 h ALA 26 Cb 1.22 0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.32 1xb9 h ALA 26 CO 0.53 -0.50 0.00 -0.40 0.00 0.00 0.00 179.25 178.88 1xb9 n ASP 27 N -5.22 2.44 -2.74 0.00 5.75 -1.26 -4.43 116.55 111.09 1xb9 n ASP 27 Ca 0.23 -1.88 -0.07 0.00 -0.01 0.00 0.00 54.79 53.06 1xb9 n ASP 27 Cb 0.75 -0.22 0.05 0.00 -1.03 0.00 0.00 41.12 40.67 1xb9 n ASP 27 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 1xb9 n LYS 28 N 0.83 0.67 0.22 0.11 3.00 0.41 -5.05 118.16 118.36 1xb9 n LYS 28 Ca 0.17 -1.65 0.15 0.00 -0.00 0.00 0.00 58.31 56.98 1xb9 n LYS 28 Cb 0.43 -1.32 0.49 0.00 0.00 0.00 0.00 35.03 34.63 1xb9 n LYS 28 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 1xb9 h LYS 29 N 4.04 0.00 -6.39 1.64 1.57 -1.57 -1.58 116.57 114.28 1xb9 h LYS 29 Ca -0.13 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 57.99 1xb9 h LYS 29 Cb 1.06 0.00 -0.30 0.00 0.08 0.00 0.00 32.23 33.07 1xb9 h LYS 29 CO 0.23 0.00 -0.88 -1.21 -0.57 0.00 0.00 179.45 177.02 1xb9 s GLU 30 N -3.44 1.95 -0.10 3.15 2.02 -1.26 -0.72 118.70 120.30 1xb9 s GLU 30 Ca 0.04 -0.86 0.02 0.00 0.02 0.00 0.00 54.97 54.19 1xb9 s GLU 30 Cb 0.08 -1.89 0.01 0.00 0.10 0.00 0.00 34.13 32.44 1xb9 s GLU 30 CO 0.56 0.52 -0.17 -0.47 0.02 0.00 0.00 175.26 175.72 1xb9 s TYR 31 N -0.57 2.04 -0.29 1.61 5.04 0.73 -4.98 117.35 120.93 1xb9 s TYR 31 Ca 0.09 -0.91 -0.09 0.00 -2.44 0.00 0.00 57.07 53.71 1xb9 s TYR 31 Cb -0.09 -1.44 -0.02 0.00 0.35 0.00 0.00 41.96 40.75 1xb9 s TYR 31 CO -0.01 -0.44 0.14 0.45 -1.34 0.00 0.00 175.55 174.35 1xb9 s SER 32 N 0.81 5.54 -0.37 4.32 0.15 -1.26 -0.75 113.70 122.15 1xb9 s SER 32 Ca -0.10 -0.31 -0.16 0.00 0.70 0.00 0.00 55.95 56.08 1xb9 s SER 32 Cb -0.16 -2.01 -0.00 0.00 -1.71 0.00 0.00 66.02 62.14 1xb9 s SER 32 CO 0.01 -0.11 0.40 0.12 1.20 0.00 0.00 173.24 174.86 1xb9 s PHE 33 N 1.65 3.20 -0.08 3.44 5.36 0.83 -5.01 117.98 127.37 1xb9 s PHE 33 Ca 0.06 -0.11 -0.07 0.00 -0.96 0.00 0.00 56.93 55.85 1xb9 s PHE 33 Cb -0.16 -2.76 0.02 0.00 -0.34 0.00 0.00 43.02 39.78 1xb9 s PHE 33 CO 0.07 -0.52 0.21 0.15 -1.46 0.00 0.00 175.22 173.67 1xb9 s LYS 34 N 2.09 0.24 0.07 10.12 -0.14 -1.26 -1.50 119.74 129.35 1xb9 s LYS 34 Ca 0.12 0.33 0.09 0.00 -1.36 0.00 0.00 55.97 55.15 1xb9 s LYS 34 Cb -0.17 0.08 -0.03 0.00 -1.68 0.00 0.00 37.83 36.03 1xb9 s LYS 34 CO 0.12 -0.05 -0.25 0.14 -0.76 0.00 0.00 175.35 174.55 1xb9 s VAL 35 N 0.29 2.03 0.59 3.17 -7.23 -1.26 -5.11 120.40 112.88 1xb9 s VAL 35 Ca -0.01 -1.44 -0.19 0.00 -1.81 0.00 0.00 61.98 58.53 1xb9 s VAL 35 Cb -0.03 -1.76 -0.05 0.00 0.56 0.00 0.00 36.38 35.10 1xb9 s VAL 35 CO -0.01 0.24 0.95 -1.84 -0.31 0.00 0.00 175.10 174.13 1xb9 n GLU 36 N 1.55 0.92 -1.55 4.82 0.28 -1.26 -4.85 120.64 120.56 1xb9 n GLU 36 Ca -0.17 0.36 -0.53 0.00 -0.16 0.00 0.00 57.16 56.66 1xb9 n GLU 36 Cb 0.53 -2.14 -0.06 0.00 1.43 0.00 0.00 31.44 31.20 1xb9 n GLU 36 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1xb9 n ASP 37 N -0.62 0.84 -1.97 -1.84 -0.08 -1.26 -4.95 116.55 106.67 1xb9 n ASP 37 Ca 0.13 1.14 -0.05 0.00 -1.51 0.00 0.00 54.79 54.50 1xb9 n ASP 37 Cb 0.47 -1.10 0.01 0.00 2.34 0.00 0.00 41.12 42.84 1xb9 n ASP 37 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 1xb9 n ASP 38 N 2.03 -1.19 -1.13 1.67 3.85 -1.26 -5.01 116.55 115.50 1xb9 n ASP 38 Ca 0.18 -1.87 0.09 0.00 -0.71 0.00 0.00 54.79 52.48 1xb9 n ASP 38 Cb 0.18 1.99 0.27 0.00 -1.35 0.00 0.00 41.12 42.22 1xb9 n ASP 38 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 1xb9 n GLU 39 N -0.29 2.90 -3.89 0.11 4.71 -1.26 -4.92 120.64 118.01 1xb9 n GLU 39 Ca -0.04 -2.49 -0.30 0.00 -0.01 0.00 0.00 57.16 54.32 1xb9 n GLU 39 Cb 0.32 -1.51 -0.04 0.00 -1.01 0.00 0.00 31.44 29.20 1xb9 n GLU 39 CO 0.00 0.00 0.00 -0.80 0.09 0.00 0.00 177.13 176.42 1xb9 s ASN 40 N -1.02 6.37 0.08 1.62 -0.87 -1.26 -3.41 114.94 116.45 1xb9 s ASN 40 Ca 0.41 0.29 -0.17 0.00 -1.57 0.00 0.00 52.86 51.81 1xb9 s ASN 40 Cb 0.22 -1.96 -0.07 0.00 -0.02 0.00 0.00 41.25 39.42 1xb9 s ASN 40 CO 0.26 0.12 0.54 -0.70 -2.57 0.00 0.00 177.10 174.74 1xb9 s GLU 41 N -2.75 4.09 0.11 -0.60 2.12 -0.24 -4.92 118.70 116.51 1xb9 s GLU 41 Ca 0.36 0.62 0.08 0.00 0.36 0.00 0.00 54.97 56.39 1xb9 s GLU 41 Cb -0.12 -3.16 -0.04 0.00 0.26 0.00 0.00 34.13 31.07 1xb9 s GLU 41 CO 0.28 0.61 -0.17 -1.01 -0.54 0.00 0.00 175.26 174.43 1xb9 s HIS 42 N -1.20 2.57 -0.22 5.30 3.76 -1.26 -1.11 115.29 123.13 1xb9 s HIS 42 Ca 0.30 -0.25 -0.21 0.00 -0.15 0.00 0.00 55.06 54.75 1xb9 s HIS 42 Cb -0.18 -1.37 0.06 0.00 1.11 0.00 0.00 32.58 32.20 1xb9 s HIS 42 CO 0.18 0.38 0.60 -1.14 -0.85 0.00 0.00 174.74 173.91 1xb9 s GLN 43 N -2.07 0.72 -0.14 1.40 0.74 -0.36 -4.48 119.66 115.46 1xb9 s GLN 43 Ca 0.18 0.80 -0.07 0.00 0.05 0.00 0.00 55.36 56.32 1xb9 s GLN 43 Cb -0.11 0.35 -0.04 0.00 1.10 0.00 0.00 33.01 34.31 1xb9 s GLN 43 CO 0.10 -0.09 0.12 -1.17 -0.55 0.00 0.00 175.29 173.70 1xb9 s LEU 44 N 0.24 4.23 -0.35 3.68 2.96 -0.66 0.11 118.68 128.89 1xb9 s LEU 44 Ca -0.01 0.35 0.01 0.00 -0.22 0.00 0.00 54.13 54.27 1xb9 s LEU 44 Cb -0.04 -2.05 0.09 0.00 0.50 0.00 0.00 46.19 44.70 1xb9 s LEU 44 CO 0.01 0.33 0.07 -0.55 -1.32 0.00 0.00 176.35 174.89 1xb9 s SER 45 N -0.54 4.89 0.15 3.68 0.15 0.80 -0.51 113.70 122.32 1xb9 s SER 45 Ca 0.12 -1.96 -0.31 0.00 0.70 0.00 0.00 55.95 54.50 1xb9 s SER 45 Cb -0.12 -1.69 -0.08 0.00 -1.71 0.00 0.00 66.02 62.42 1xb9 s SER 45 CO 0.02 -0.40 1.37 -0.76 1.20 0.00 0.00 173.24 174.67 1xb9 s LEU 46 N 1.02 4.38 -0.07 3.45 1.43 -0.44 -1.32 118.68 127.14 1xb9 s LEU 46 Ca 0.07 2.36 -0.07 0.00 -1.03 0.00 0.00 54.13 55.46 1xb9 s LEU 46 Cb -0.20 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.38 1xb9 s LEU 46 CO -0.06 -0.62 -0.15 0.54 0.23 0.00 0.00 176.35 176.29 1xb9 n ARG 47 N 3.48 0.24 -4.16 1.70 5.12 0.19 -1.31 116.66 121.91 1xb9 n ARG 47 Ca 0.10 0.10 -0.14 0.00 -1.93 0.00 0.00 57.85 55.97 1xb9 n ARG 47 Cb 0.42 -0.91 -0.11 0.00 -1.16 0.00 0.00 32.46 30.71 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 -2.30 0.90 0.00 0.55 -4.23 -0.92 0.52 115.64 110.16 1xb9 s THR 48 Ca -0.14 -1.55 0.07 0.00 -1.18 0.00 0.00 61.69 58.88 1xb9 s THR 48 Cb 0.04 -1.26 -0.02 0.00 1.34 0.00 0.00 72.50 72.61 1xb9 s THR 48 CO 0.20 -0.52 -0.21 -0.69 -0.54 0.00 0.00 174.62 172.86 1xb9 s VAL 49 N -2.26 1.65 0.08 2.29 1.01 -0.36 -0.78 120.40 122.03 1xb9 s VAL 49 Ca 0.03 -0.99 -0.11 0.00 0.00 0.00 0.00 61.98 60.91 1xb9 s VAL 49 Cb -0.04 -1.39 0.01 0.00 0.00 0.00 0.00 36.38 34.96 1xb9 s VAL 49 CO 0.00 0.38 0.26 -0.94 0.00 0.00 0.00 175.10 174.80 1xb9 s SER 50 N -0.71 -0.02 -0.17 3.32 1.04 -0.36 -0.73 113.70 116.07 1xb9 s SER 50 Ca 0.08 -0.44 -0.08 0.00 0.48 0.00 0.00 55.95 55.98 1xb9 s SER 50 Cb -0.08 0.37 -0.05 0.00 0.10 0.00 0.00 66.02 66.36 1xb9 s SER 50 CO 0.00 -0.71 0.12 -0.76 0.98 0.00 0.00 173.24 172.87 1xb9 s LEU 51 N -2.57 4.21 0.85 2.42 1.43 -0.13 -0.98 118.68 123.90 1xb9 s LEU 51 Ca 0.01 0.29 -0.11 0.00 -1.03 0.00 0.00 54.13 53.29 1xb9 s LEU 51 Cb 0.02 -2.06 0.10 0.00 0.03 0.00 0.00 46.19 44.28 1xb9 s LEU 51 CO -0.09 0.27 1.09 -0.83 0.23 0.00 0.00 176.35 177.02 1xb9 s GLY 52 N -0.16 1.62 0.53 -3.19 0.00 -0.13 -4.93 107.32 101.06 1xb9 s GLY 52 Ca 0.10 -0.11 0.22 0.00 0.00 0.00 0.00 44.72 44.94 1xb9 s GLY 52 CO 0.00 0.35 2.04 0.00 0.00 0.00 0.00 173.10 175.49 1xb9 h ALA 53 N -1.33 2.35 -0.68 3.20 0.00 -1.98 -2.35 119.26 118.48 1xb9 h ALA 53 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1xb9 h ALA 53 Cb 1.27 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1xb9 h ALA 53 CO 0.56 -0.46 0.00 -1.13 0.00 0.00 0.00 179.25 178.22 1xb9 n SER 54 N -4.43 4.58 -4.75 0.00 3.41 -1.26 -4.97 113.62 106.20 1xb9 n SER 54 Ca 0.06 -2.34 -0.41 0.00 -0.26 0.00 0.00 58.87 55.92 1xb9 n SER 54 Cb 0.46 -0.56 -0.03 0.00 -0.26 0.00 0.00 64.21 63.81 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 -1.65 3.48 0.69 7.33 0.00 -0.89 -4.74 121.76 125.98 1xb9 s ALA 55 Ca 0.51 1.07 -0.16 0.00 0.00 0.00 0.00 51.96 53.38 1xb9 s ALA 55 Cb 0.31 -3.44 0.02 0.00 0.00 0.00 0.00 23.12 20.01 1xb9 s ALA 55 CO 0.27 -0.45 1.22 0.15 0.00 0.00 0.00 175.76 176.94 1xb9 s LYS 56 N -0.75 2.39 -1.18 0.00 1.02 -1.26 -4.88 119.74 115.08 1xb9 s LYS 56 Ca 0.52 1.81 -0.19 0.00 0.02 0.00 0.00 55.97 58.12 1xb9 s LYS 56 Cb -0.36 -1.86 -0.03 0.00 -0.52 0.00 0.00 37.83 35.06 1xb9 s LYS 56 CO 0.42 -1.65 1.94 -3.47 -0.92 0.00 0.00 175.35 171.66 1xb9 n ASP 57 N -2.36 3.63 -3.95 2.83 2.03 -1.26 -4.62 116.55 112.86 1xb9 n ASP 57 Ca 0.14 -2.79 -0.09 0.00 0.52 0.00 0.00 54.79 52.58 1xb9 n ASP 57 Cb 0.50 -1.58 -0.04 0.00 -0.72 0.00 0.00 41.12 39.28 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 4.79 1.60 0.13 -0.67 -1.05 -1.26 -4.96 118.70 117.27 1xb9 s GLU 58 Ca 0.57 -1.17 -0.31 0.00 -0.15 0.00 0.00 54.97 53.91 1xb9 s GLU 58 Cb 0.07 0.51 -0.08 0.00 -0.44 0.00 0.00 34.13 34.19 1xb9 s GLU 58 CO 0.07 -0.68 1.38 -1.17 0.95 0.00 0.00 175.26 175.81 1xb9 s LEU 59 N -2.99 4.38 -0.08 1.83 2.96 -1.26 -4.37 118.68 119.15 1xb9 s LEU 59 Ca 0.19 2.34 0.04 0.00 -0.22 0.00 0.00 54.13 56.48 1xb9 s LEU 59 Cb -0.02 -3.59 -0.01 0.00 0.50 0.00 0.00 46.19 43.07 1xb9 s LEU 59 CO 0.08 -0.64 -0.20 -1.00 -1.32 0.00 0.00 176.35 173.27 1xb9 s HIS 60 N 0.98 2.60 -0.08 5.38 3.76 0.21 -3.79 115.29 124.34 1xb9 s HIS 60 Ca 0.64 -0.64 0.02 0.00 -0.15 0.00 0.00 55.06 54.92 1xb9 s HIS 60 Cb -0.37 -1.68 0.01 0.00 1.11 0.00 0.00 32.58 31.66 1xb9 s HIS 60 CO 0.31 -0.17 -0.12 0.08 -0.85 0.00 0.00 174.74 174.00 1xb9 s VAL 61 N -0.08 1.15 -0.14 -0.90 1.01 -0.38 -1.07 120.40 120.00 1xb9 s VAL 61 Ca -0.05 -0.47 -0.05 0.00 0.00 0.00 0.00 61.98 61.42 1xb9 s VAL 61 Cb -0.14 -1.07 -0.04 0.00 0.00 0.00 0.00 36.38 35.13 1xb9 s VAL 61 CO 0.04 0.37 0.03 -0.69 0.00 0.00 0.00 175.10 174.84 1xb9 s VAL 62 N 0.84 4.49 0.27 2.92 1.01 -0.55 -0.24 120.40 129.14 1xb9 s VAL 62 Ca -0.11 -0.16 0.06 0.00 0.00 0.00 0.00 61.98 61.77 1xb9 s VAL 62 Cb -0.15 -2.96 -0.06 0.00 0.00 0.00 0.00 36.38 33.21 1xb9 s VAL 62 CO 0.02 0.53 -0.04 -1.83 0.00 0.00 0.00 175.10 173.77 1xb9 s GLU 63 N -0.13 1.50 0.07 2.72 -1.05 -0.10 0.15 118.70 121.87 1xb9 s GLU 63 Ca 0.05 -1.76 0.09 0.00 -0.15 0.00 0.00 54.97 53.20 1xb9 s GLU 63 Cb -0.12 -1.03 -0.03 0.00 -0.44 0.00 0.00 34.13 32.51 1xb9 s GLU 63 CO 0.02 0.00 -0.24 0.00 0.95 0.00 0.00 175.26 175.99 1xb9 s ALA 64 N -3.11 2.10 -0.08 -0.84 0.00 0.15 -1.02 121.76 118.97 1xb9 s ALA 64 Ca 0.29 -1.26 -0.00 0.00 0.00 0.00 0.00 51.96 50.99 1xb9 s ALA 64 Cb 0.04 -0.39 0.02 0.00 0.00 0.00 0.00 23.12 22.80 1xb9 s ALA 64 CO 0.11 0.48 -0.04 -2.00 0.00 0.00 0.00 175.76 174.31 1xb9 s GLU 65 N -1.51 0.97 0.00 0.00 2.12 0.13 -0.77 118.70 119.65 1xb9 s GLU 65 Ca 0.11 -0.07 0.00 0.00 0.36 0.00 0.00 54.97 55.37 1xb9 s GLU 65 Cb -0.10 -1.13 0.00 0.00 0.26 0.00 0.00 34.13 33.16 1xb9 s GLU 65 CO 0.03 -0.22 0.00 0.41 -0.54 0.00 0.00 175.26 174.94 1xb9 n GLY 66 N 4.76 1.45 3.87 -1.50 0.00 -1.05 -1.56 105.19 111.16 1xb9 n GLY 66 Ca -0.14 -0.87 -0.36 0.00 0.00 0.00 0.00 46.02 44.65 1xb9 n GLY 66 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1xb9 s ILE 67 N -2.57 5.28 0.70 -0.61 -4.36 -1.26 -0.61 121.20 117.77 1xb9 s ILE 67 Ca 0.00 0.40 -0.02 0.00 -0.26 0.00 0.00 60.65 60.77 1xb9 s ILE 67 Cb 0.00 -3.56 0.10 0.00 1.25 0.00 0.00 42.46 40.25 1xb9 s ILE 67 CO 0.00 0.51 0.97 0.54 0.24 0.00 0.00 174.94 177.20 1xb9 s ASN 68 N -1.28 4.54 0.23 4.36 2.20 0.16 -4.91 114.94 120.23 1xb9 s ASN 68 Ca 0.22 -0.12 -0.07 0.00 -0.94 0.00 0.00 52.86 51.96 1xb9 s ASN 68 Cb -0.14 -0.40 0.38 0.00 -2.00 0.00 0.00 41.25 39.09 1xb9 s ASN 68 CO 0.11 -1.72 1.73 0.22 -2.94 0.00 0.00 177.10 174.50 1xb9 h TYR 69 N -0.48 0.44 0.00 1.54 3.20 -1.99 0.82 116.97 120.50 1xb9 h TYR 69 Ca -0.39 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.51 1xb9 h TYR 69 Cb 1.28 -0.09 0.00 0.00 1.54 0.00 0.00 36.73 39.46 1xb9 h TYR 69 CO -0.06 0.07 0.00 0.39 -1.64 0.00 0.00 178.16 176.92 1xb9 n GLU 70 N -5.01 0.14 0.00 1.82 -0.58 -1.26 -4.89 120.64 110.86 1xb9 n GLU 70 Ca 0.12 0.62 0.00 0.00 -0.42 0.00 0.00 57.16 57.47 1xb9 n GLU 70 Cb 0.35 -1.95 0.00 0.00 -0.57 0.00 0.00 31.44 29.28 1xb9 n GLU 70 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xb9 n GLY 71 N -1.17 1.04 3.88 0.62 0.00 0.28 -5.08 105.19 104.76 1xb9 n GLY 71 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.76 3.53 -0.04 1.61 3.01 -1.24 -4.78 119.74 121.07 1xb9 s LYS 72 Ca 0.00 -0.09 -0.30 0.00 -1.01 0.00 0.00 55.97 54.57 1xb9 s LYS 72 Cb 0.00 -3.14 -0.03 0.00 -1.01 0.00 0.00 37.83 33.64 1xb9 s LYS 72 CO 0.00 0.71 1.14 0.99 0.51 0.00 0.00 175.35 178.71 1xb9 s THR 73 N -1.17 4.38 0.15 2.17 2.01 -1.26 0.40 115.64 122.32 1xb9 s THR 73 Ca 0.22 1.69 0.04 0.00 0.31 0.00 0.00 61.69 63.96 1xb9 s THR 73 Cb -0.13 -4.09 -0.04 0.00 0.01 0.00 0.00 72.50 68.25 1xb9 s THR 73 CO 0.11 0.03 -0.10 0.27 -0.69 0.00 0.00 174.62 174.25 1xb9 s ILE 74 N 1.87 1.17 -0.07 1.82 -4.36 0.22 -4.92 121.20 116.93 1xb9 s ILE 74 Ca 0.55 -2.06 0.04 0.00 -0.26 0.00 0.00 60.65 58.91 1xb9 s ILE 74 Cb -0.24 -1.88 -0.02 0.00 1.25 0.00 0.00 42.46 41.57 1xb9 s ILE 74 CO 0.23 -0.72 -0.18 -0.54 0.24 0.00 0.00 174.94 173.98 1xb9 s LYS 75 N -3.75 2.68 0.02 0.37 1.02 -1.26 -2.54 119.74 116.28 1xb9 s LYS 75 Ca 0.18 -0.77 0.03 0.00 0.02 0.00 0.00 55.97 55.43 1xb9 s LYS 75 Cb 0.03 -2.35 -0.02 0.00 -0.52 0.00 0.00 37.83 34.97 1xb9 s LYS 75 CO 0.01 0.47 -0.10 0.96 -0.92 0.00 0.00 175.35 175.77 1xb9 s ILE 76 N -0.34 0.75 -0.25 2.17 -4.36 0.05 -4.97 121.20 114.25 1xb9 s ILE 76 Ca 0.03 -0.74 -0.18 0.00 -0.26 0.00 0.00 60.65 59.50 1xb9 s ILE 76 Cb -0.13 -0.69 -0.03 0.00 1.25 0.00 0.00 42.46 42.87 1xb9 s ILE 76 CO 0.02 -0.03 0.50 0.00 0.24 0.00 0.00 174.94 175.68 1xb9 s ALA 77 N -0.71 3.58 -0.13 2.27 0.00 -1.26 0.30 121.76 125.82 1xb9 s ALA 77 Ca -0.01 -0.58 -0.22 0.00 0.00 0.00 0.00 51.96 51.15 1xb9 s ALA 77 Cb -0.06 -2.86 -0.26 0.00 0.00 0.00 0.00 23.12 19.94 1xb9 s ALA 77 CO 0.00 -0.67 0.61 -0.07 0.00 0.00 0.00 175.76 175.63 1xb9 h LEU 78 N 8.59 0.19 -7.00 0.00 3.38 -0.62 -3.48 115.31 116.37 1xb9 h LEU 78 Ca -0.30 -0.84 -0.03 0.00 0.09 0.00 0.00 57.88 56.80 1xb9 h LEU 78 Cb 1.14 -0.06 -0.20 0.00 0.09 0.00 0.00 40.66 41.63 1xb9 h LEU 78 CO 0.72 1.35 0.26 0.00 0.09 0.00 0.00 178.44 180.85 1xb9 s ALA 79 N -2.36 -1.81 -0.14 1.53 0.00 -1.16 -5.01 121.76 112.81 1xb9 s ALA 79 Ca -0.20 1.50 0.03 0.00 0.00 0.00 0.00 51.96 53.28 1xb9 s ALA 79 Cb 0.02 -0.37 0.01 0.00 0.00 0.00 0.00 23.12 22.78 1xb9 s ALA 79 CO 0.71 -0.35 -0.22 -1.12 0.00 0.00 0.00 175.76 174.78 1xb9 s SER 80 N -0.88 3.09 0.08 0.00 0.01 -1.26 -1.49 113.70 113.26 1xb9 s SER 80 Ca -0.07 -0.60 0.02 0.00 1.31 0.00 0.00 55.95 56.61 1xb9 s SER 80 Cb -0.01 -1.43 -0.04 0.00 0.21 0.00 0.00 66.02 64.75 1xb9 s SER 80 CO 0.06 0.08 -0.07 -0.76 0.41 0.00 0.00 173.24 172.97 1xb9 s LEU 81 N 0.78 2.46 -0.19 2.44 1.02 -0.23 -4.94 118.68 120.02 1xb9 s LEU 81 Ca -0.08 -0.91 -0.14 0.00 0.02 0.00 0.00 54.13 53.02 1xb9 s LEU 81 Cb -0.16 -0.07 0.06 0.00 0.02 0.00 0.00 46.19 46.04 1xb9 s LEU 81 CO -0.01 -0.42 0.48 -0.75 0.02 0.00 0.00 176.35 175.67 1xb9 s LYS 82 N -3.39 0.51 0.29 1.70 2.20 -1.04 -0.62 119.74 119.39 1xb9 s LYS 82 Ca 0.07 0.80 0.03 0.00 -0.36 0.00 0.00 55.97 56.51 1xb9 s LYS 82 Cb 0.02 0.13 0.62 0.00 -1.51 0.00 0.00 37.83 37.09 1xb9 s LYS 82 CO -0.04 -0.12 1.81 -1.35 -0.36 0.00 0.00 175.35 175.29 1xb9 h PRO 83 N 6.32 0.88 -0.02 4.03 0.11 -1.82 0.30 132.00 141.79 1xb9 h PRO 83 Ca -0.32 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.74 1xb9 h PRO 83 Cb 1.19 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.10 1xb9 h PRO 83 CO 0.23 0.58 0.00 -1.13 -0.21 0.00 0.00 178.00 177.47 1xb9 n SER 84 N -4.68 1.74 0.03 -2.05 3.41 -1.26 -4.26 113.62 106.54 1xb9 n SER 84 Ca 0.20 -1.58 0.00 0.00 -0.26 0.00 0.00 58.87 57.23 1xb9 n SER 84 Cb 0.43 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 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 0.36 0.57 -3.04 -3.33 0.31 -0.39 -5.01 118.33 107.80 1xb9 n VAL 85 Ca 0.18 0.19 -0.10 0.00 -0.01 0.00 0.00 64.34 64.60 1xb9 n VAL 85 Cb 0.39 -1.51 -0.03 0.00 -0.91 0.00 0.00 33.84 31.78 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 0.95 0.27 5.55 0.74 0.91 -4.97 119.66 121.10 1xb9 s GLN 86 Ca 0.00 -1.13 0.26 0.00 0.05 0.00 0.00 55.36 54.53 1xb9 s GLN 86 Cb 0.00 -0.40 0.85 0.00 1.10 0.00 0.00 33.01 34.56 1xb9 s GLN 86 CO 0.00 -1.30 1.75 -1.00 -0.55 0.00 0.00 175.29 174.19 1xb9 h PRO 87 N 5.71 0.00 -4.88 1.67 0.13 -1.72 -2.75 132.00 130.15 1xb9 h PRO 87 Ca 0.10 0.00 -0.40 0.00 -0.87 0.00 0.00 66.00 64.83 1xb9 h PRO 87 Cb 1.07 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 31.93 1xb9 h PRO 87 CO 0.12 0.00 -0.78 0.99 -0.23 0.00 0.00 178.00 178.10 1xb9 s THR 88 N -3.21 0.81 -0.08 1.56 2.01 -1.26 -0.95 115.64 114.51 1xb9 s THR 88 Ca 0.08 -0.62 -0.00 0.00 0.31 0.00 0.00 61.69 61.46 1xb9 s THR 88 Cb 0.10 -0.71 0.02 0.00 0.01 0.00 0.00 72.50 71.93 1xb9 s THR 88 CO 0.54 0.10 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.83 1xb9 s VAL 89 N -0.50 0.69 -0.10 3.82 1.01 0.09 -4.99 120.40 120.42 1xb9 s VAL 89 Ca 0.02 -0.11 -0.19 0.00 0.00 0.00 0.00 61.98 61.70 1xb9 s VAL 89 Cb -0.05 -0.75 -0.04 0.00 0.00 0.00 0.00 36.38 35.53 1xb9 s VAL 89 CO 0.00 0.30 0.53 -0.55 0.00 0.00 0.00 175.10 175.38 1xb9 s SER 90 N 1.61 6.76 0.05 3.32 0.15 -1.26 -1.22 113.70 123.11 1xb9 s SER 90 Ca 0.01 0.91 0.23 0.00 0.70 0.00 0.00 55.95 57.80 1xb9 s SER 90 Cb -0.13 -2.32 0.16 0.00 -1.71 0.00 0.00 66.02 62.03 1xb9 s SER 90 CO -0.05 -0.02 1.14 0.18 1.20 0.00 0.00 173.24 175.69 1xb9 n LEU 91 N 3.67 0.63 -0.94 3.45 4.77 0.18 -4.98 117.00 123.80 1xb9 n LEU 91 Ca -0.06 0.01 -0.12 0.00 -0.03 0.00 0.00 56.01 55.82 1xb9 n LEU 91 Cb 0.52 -0.13 -0.04 0.00 -2.33 0.00 0.00 43.42 41.43 1xb9 n LEU 91 CO 0.44 0.05 -0.11 0.61 -1.33 0.00 0.00 177.39 177.04 1xb9 n GLY 92 N 1.39 1.10 0.41 -0.72 0.00 -1.23 -3.87 105.19 102.28 1xb9 n GLY 92 Ca 0.03 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.50 0.79 3.56 -0.02 0.00 -0.43 -5.01 105.19 102.58 1xb9 n GLY 93 Ca -0.12 -0.51 -0.41 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.10 2.30 -0.04 1.61 5.99 -0.65 -4.78 117.98 120.31 1xb9 s PHE 94 Ca 0.00 0.19 -0.30 0.00 0.00 0.00 0.00 56.93 56.82 1xb9 s PHE 94 Cb 0.00 -4.53 -0.03 0.00 0.00 0.00 0.00 43.02 38.46 1xb9 s PHE 94 CO 0.00 -1.98 1.06 -1.21 -0.00 0.00 0.00 175.22 173.09 1xb9 s GLU 95 N 5.65 4.45 -0.02 10.12 2.02 -1.26 -1.33 118.70 138.33 1xb9 s GLU 95 Ca 0.42 1.50 0.03 0.00 0.02 0.00 0.00 54.97 56.94 1xb9 s GLU 95 Cb -0.09 -3.50 -0.00 0.00 0.10 0.00 0.00 34.13 30.65 1xb9 s GLU 95 CO 0.19 -0.25 -0.11 0.42 0.02 0.00 0.00 175.26 175.53 1xb9 s ILE 96 N 1.62 0.90 -0.25 -1.63 1.01 0.34 -5.00 121.20 118.19 1xb9 s ILE 96 Ca 0.52 -0.45 -0.24 0.00 0.00 0.00 0.00 60.65 60.47 1xb9 s ILE 96 Cb -0.22 -0.78 -0.00 0.00 0.01 0.00 0.00 42.46 41.47 1xb9 s ILE 96 CO 0.23 0.27 0.82 -0.89 0.00 0.00 0.00 174.94 175.37 1xb9 s THR 97 N -0.03 4.83 0.65 2.92 2.01 -1.26 -1.66 115.64 123.11 1xb9 s THR 97 Ca 0.00 1.51 -0.17 0.00 0.31 0.00 0.00 61.69 63.33 1xb9 s THR 97 Cb -0.07 -4.12 -0.00 0.00 0.01 0.00 0.00 72.50 68.32 1xb9 s THR 97 CO 0.00 -0.10 1.23 -2.16 -0.69 0.00 0.00 174.62 172.91 1xb9 s PRO 98 N 2.86 2.59 0.36 4.92 0.04 -1.26 -4.48 135.00 140.02 1xb9 s PRO 98 Ca 0.34 1.87 -0.27 0.00 0.04 0.00 0.00 61.00 62.98 1xb9 s PRO 98 Cb -0.15 -1.88 -0.09 0.00 0.04 0.00 0.00 34.50 32.42 1xb9 s PRO 98 CO 0.08 -1.51 1.21 -2.14 0.04 0.00 0.00 177.00 174.68 1xb9 s PRO 99 N -3.54 4.24 -0.06 0.56 0.02 -1.26 -5.05 135.00 129.91 1xb9 s PRO 99 Ca 0.78 1.97 -0.11 0.00 0.02 0.00 0.00 61.00 63.65 1xb9 s PRO 99 Cb -0.32 -2.89 0.02 0.00 0.02 0.00 0.00 34.50 31.33 1xb9 s PRO 99 CO 0.39 -0.20 0.27 0.54 -0.33 0.00 0.00 177.00 177.68 1xb9 s VAL 100 N -1.27 0.03 -0.15 3.83 0.11 -0.56 -4.66 120.40 117.73 1xb9 s VAL 100 Ca 0.52 -0.28 -0.05 0.00 -2.93 0.00 0.00 61.98 59.23 1xb9 s VAL 100 Cb -0.34 -0.49 -0.04 0.00 -1.53 0.00 0.00 36.38 33.99 1xb9 s VAL 100 CO 0.44 -0.16 0.03 -0.63 -3.33 0.00 0.00 175.10 171.45 1xb9 s ILE 101 N -0.63 4.50 -0.14 7.04 1.01 -0.60 -0.12 121.20 132.26 1xb9 s ILE 101 Ca -0.07 -0.15 -0.06 0.00 0.00 0.00 0.00 60.65 60.37 1xb9 s ILE 101 Cb -0.04 -2.99 -0.04 0.00 0.01 0.00 0.00 42.46 39.40 1xb9 s ILE 101 CO 0.02 0.50 0.06 -0.76 0.00 0.00 0.00 174.94 174.77 1xb9 s LEU 102 N 0.07 3.89 -0.03 2.97 1.43 0.08 -0.69 118.68 126.40 1xb9 s LEU 102 Ca 0.04 0.20 0.01 0.00 -1.03 0.00 0.00 54.13 53.34 1xb9 s LEU 102 Cb -0.13 -1.95 0.02 0.00 0.03 0.00 0.00 46.19 44.17 1xb9 s LEU 102 CO 0.01 0.29 -0.01 -0.60 0.23 0.00 0.00 176.35 176.27 1xb9 s ARG 103 N -0.34 0.38 -0.51 1.70 3.52 -0.18 -0.19 118.95 123.31 1xb9 s ARG 103 Ca 0.09 0.00 -0.27 0.00 -0.13 0.00 0.00 55.73 55.42 1xb9 s ARG 103 Cb -0.12 -0.49 -0.01 0.00 -1.56 0.00 0.00 34.95 32.77 1xb9 s ARG 103 CO 0.02 -0.08 1.76 -1.17 -0.81 0.00 0.00 175.30 175.01 1xb9 s LEU 104 N 0.76 3.38 0.07 -0.88 0.20 0.10 -0.92 118.68 121.39 1xb9 s LEU 104 Ca -0.08 0.63 0.02 0.00 0.69 0.00 0.00 54.13 55.39 1xb9 s LEU 104 Cb -0.11 -2.94 -0.25 0.00 -0.43 0.00 0.00 46.19 42.46 1xb9 s LEU 104 CO -0.01 -2.05 1.10 0.50 -0.29 0.00 0.00 176.35 175.60 1xb9 h LYS 105 N 13.60 0.13 -3.27 1.98 3.64 -0.94 -3.47 116.57 128.24 1xb9 h LYS 105 Ca -0.28 -0.22 -0.03 0.00 -1.27 0.00 0.00 60.65 58.84 1xb9 h LYS 105 Cb 1.15 0.08 -0.12 0.00 -0.41 0.00 0.00 32.23 32.94 1xb9 h LYS 105 CO 1.15 1.04 0.03 -1.54 -2.27 0.00 0.00 179.45 177.86 1xb9 s SER 106 N -6.84 -0.32 0.00 4.20 1.04 -1.11 -4.95 113.70 105.72 1xb9 s SER 106 Ca -0.03 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.10 1xb9 s SER 106 Cb 0.08 0.54 0.00 0.00 0.10 0.00 0.00 66.02 66.74 1xb9 s SER 106 CO 0.85 -0.94 0.00 0.61 0.98 0.00 0.00 173.24 174.73 1xb9 n GLY 107 N -0.30 2.30 0.09 7.32 0.00 -1.25 -1.25 105.19 112.11 1xb9 n GLY 107 Ca -0.14 -1.85 -0.05 0.00 0.00 0.00 0.00 46.02 43.98 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 -2.13 1.61 4.64 -1.91 -3.47 113.55 112.30 1xb9 h SER 108 Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xb9 h SER 108 Cb 0.00 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1xb9 h SER 108 CO 0.00 0.84 0.00 0.61 -0.87 0.00 0.00 176.83 177.41 1xb9 n GLY 109 N 0.89 -1.34 3.81 -0.77 0.00 -1.26 -3.19 105.19 103.33 1xb9 n GLY 109 Ca -0.01 -1.16 -0.33 0.00 0.00 0.00 0.00 46.02 44.52 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 0.00 4.07 -0.09 1.61 0.04 -1.26 -4.02 135.00 135.34 1xb9 s PRO 110 Ca 0.00 1.19 0.03 0.00 0.04 0.00 0.00 61.00 62.25 1xb9 s PRO 110 Cb 0.00 -2.15 0.01 0.00 0.04 0.00 0.00 34.50 32.40 1xb9 s PRO 110 CO 0.00 -0.18 -0.18 0.08 0.04 0.00 0.00 177.00 176.76 1xb9 s VAL 111 N -2.15 1.61 0.05 -0.36 1.01 -0.25 -0.96 120.40 119.36 1xb9 s VAL 111 Ca 0.63 -0.74 -0.01 0.00 0.00 0.00 0.00 61.98 61.86 1xb9 s VAL 111 Cb -0.11 -1.43 -0.04 0.00 0.00 0.00 0.00 36.38 34.79 1xb9 s VAL 111 CO 0.16 0.46 0.22 -0.31 0.00 0.00 0.00 175.10 175.64 1xb9 s TYR 112 N 0.63 3.52 -0.07 5.22 1.51 -0.16 -0.05 117.35 127.95 1xb9 s TYR 112 Ca -0.14 0.31 0.02 0.00 -1.01 0.00 0.00 57.07 56.25 1xb9 s TYR 112 Cb -0.16 -1.81 0.02 0.00 -0.11 0.00 0.00 41.96 39.90 1xb9 s TYR 112 CO 0.04 0.58 -0.11 0.08 -1.11 0.00 0.00 175.55 175.03 1xb9 s VAL 113 N -1.48 1.09 0.19 0.71 1.01 -0.70 -1.23 120.40 119.99 1xb9 s VAL 113 Ca 0.34 -0.43 0.11 0.00 0.00 0.00 0.00 61.98 62.00 1xb9 s VAL 113 Cb -0.13 -1.02 -0.04 0.00 0.00 0.00 0.00 36.38 35.19 1xb9 s VAL 113 CO 0.26 0.35 -0.24 -0.94 0.00 0.00 0.00 175.10 174.53 1xb9 s SER 114 N 0.87 3.39 0.00 3.32 1.04 0.04 -1.36 113.70 121.00 1xb9 s SER 114 Ca -0.11 -0.86 0.00 0.00 0.48 0.00 0.00 55.95 55.46 1xb9 s SER 114 Cb -0.15 -0.25 0.00 0.00 0.10 0.00 0.00 66.02 65.72 1xb9 s SER 114 CO 0.01 0.12 0.00 0.61 0.98 0.00 0.00 173.24 174.96 1xb9 n GLY 115 N 0.29 -0.76 3.36 7.32 0.00 0.50 -0.64 105.19 115.26 1xb9 n GLY 115 Ca -0.13 -0.33 -0.30 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.05 1.79 -0.24 1.61 -0.21 -0.43 -0.88 119.66 121.24 1xb9 s GLN 116 Ca 0.00 -1.12 -0.02 0.00 0.02 0.00 0.00 55.36 54.23 1xb9 s GLN 116 Cb 0.00 -1.99 0.02 0.00 1.00 0.00 0.00 33.01 32.04 1xb9 s GLN 116 CO 0.00 0.51 -0.05 -1.58 -2.12 0.00 0.00 175.29 172.05 1xb9 s HIS 117 N -0.84 3.04 -0.13 0.91 5.65 0.73 -0.14 115.29 124.51 1xb9 s HIS 117 Ca 0.12 -1.38 -0.05 0.00 0.25 0.00 0.00 55.06 54.00 1xb9 s HIS 117 Cb -0.10 -2.08 -0.04 0.00 -1.18 0.00 0.00 32.58 29.18 1xb9 s HIS 117 CO 0.03 -0.68 0.05 -0.51 -0.65 0.00 0.00 174.74 172.97 1xb9 s LEU 118 N 1.37 3.81 -0.12 8.88 1.43 0.12 -0.26 118.68 133.91 1xb9 s LEU 118 Ca 0.02 0.17 -0.01 0.00 -1.03 0.00 0.00 54.13 53.28 1xb9 s LEU 118 Cb -0.16 -1.92 0.03 0.00 0.03 0.00 0.00 46.19 44.17 1xb9 s LEU 118 CO -0.04 0.30 -0.05 -0.69 0.23 0.00 0.00 176.35 176.09 1xb9 s VAL 119 N -0.38 0.92 0.17 -1.59 1.01 -0.60 -1.23 120.40 118.70 1xb9 s VAL 119 Ca 0.09 -0.31 0.06 0.00 0.00 0.00 0.00 61.98 61.82 1xb9 s VAL 119 Cb -0.12 -1.02 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 1xb9 s VAL 119 CO 0.02 0.28 0.10 0.00 0.00 0.00 0.00 175.10 175.50 1xb9 s ALA 120 N 1.74 3.47 0.69 5.51 0.00 -0.27 -0.37 121.76 132.53 1xb9 s ALA 120 Ca 0.04 -1.27 -0.16 0.00 0.00 0.00 0.00 51.96 50.57 1xb9 s ALA 120 Cb -0.13 -1.26 0.02 0.00 0.00 0.00 0.00 23.12 21.75 1xb9 s ALA 120 CO -0.08 0.49 1.23 -0.51 0.00 0.00 0.00 175.76 176.90 1xb9 s LEU 121 N -3.09 3.43 0.00 0.00 2.01 -1.26 -1.07 118.68 118.69 1xb9 s LEU 121 Ca 0.30 2.44 0.31 0.00 0.01 0.00 0.00 54.13 57.20 1xb9 s LEU 121 Cb -0.10 -4.60 1.75 0.00 0.01 0.00 0.00 46.19 43.25 1xb9 s LEU 121 CO 0.22 -2.13 2.14 1.21 1.01 0.00 0.00 176.35 178.80