#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xe0 s GLN 16 N 0.00 2.78 -0.17 4.33 -0.21 0.22 -4.85 119.66 121.76 1xe0 s GLN 16 Ca 0.00 1.92 -0.03 0.00 0.02 0.00 0.00 55.36 57.28 1xe0 s GLN 16 Cb 0.00 -1.89 0.05 0.00 1.00 0.00 0.00 33.01 32.17 1xe0 s GLN 16 CO 0.00 -1.38 0.03 1.21 -2.12 0.00 0.00 175.29 173.02 1xe0 s ASN 17 N -1.52 2.64 0.08 5.90 2.47 -1.26 -1.57 114.94 121.67 1xe0 s ASN 17 Ca 0.80 -0.67 0.07 0.00 0.42 0.00 0.00 52.86 53.48 1xe0 s ASN 17 Cb -0.33 -0.57 -0.04 0.00 -1.45 0.00 0.00 41.25 38.86 1xe0 s ASN 17 CO 0.36 -0.28 -0.14 -0.36 -3.72 0.00 0.00 177.10 172.96 1xe0 s PHE 18 N 1.88 2.65 0.39 0.43 0.40 -0.28 -4.96 117.98 118.49 1xe0 s PHE 18 Ca 0.00 -0.20 -0.27 0.00 -0.60 0.00 0.00 56.93 55.86 1xe0 s PHE 18 Cb -0.16 -1.43 -0.10 0.00 0.51 0.00 0.00 43.02 41.84 1xe0 s PHE 18 CO -0.07 0.37 1.48 -0.51 0.70 0.00 0.00 175.22 177.19 1xe0 s LEU 19 N -1.94 4.27 -0.02 -0.37 1.43 -1.26 -0.45 118.68 120.34 1xe0 s LEU 19 Ca 0.18 3.05 0.04 0.00 -1.03 0.00 0.00 54.13 56.37 1xe0 s LEU 19 Cb -0.11 -3.72 -0.01 0.00 0.03 0.00 0.00 46.19 42.39 1xe0 s LEU 19 CO 0.10 -0.95 -0.13 0.12 0.23 0.00 0.00 176.35 175.72 1xe0 s PHE 20 N -1.13 1.21 0.08 0.29 5.36 -0.21 -4.61 117.98 118.97 1xe0 s PHE 20 Ca 0.54 -0.27 -0.21 0.00 -0.96 0.00 0.00 56.93 56.04 1xe0 s PHE 20 Cb -0.46 -0.81 0.05 0.00 -0.34 0.00 0.00 43.02 41.46 1xe0 s PHE 20 CO 0.62 -0.07 0.49 0.20 -1.46 0.00 0.00 175.22 175.01 1xe0 s GLY 21 N -0.11 -0.40 0.08 13.12 0.00 -1.26 -0.80 107.32 117.95 1xe0 s GLY 21 Ca 0.01 0.42 -0.06 0.00 0.00 0.00 0.00 44.72 45.09 1xe0 s GLY 21 CO 0.00 0.13 0.12 0.00 0.00 0.00 0.00 173.10 173.35 1xe0 s GLU 23 N -3.89 2.62 -0.02 0.00 2.12 -1.26 -1.57 118.70 116.70 1xe0 s GLU 23 Ca 0.06 -0.77 0.07 0.00 0.36 0.00 0.00 54.97 54.69 1xe0 s GLU 23 Cb 0.06 -2.33 -0.02 0.00 0.26 0.00 0.00 34.13 32.10 1xe0 s GLU 23 CO -0.10 0.49 -0.23 -0.51 -0.54 0.00 0.00 175.26 174.37 1xe0 s LEU 24 N -0.40 2.04 0.00 2.70 1.43 0.53 -4.91 118.68 120.08 1xe0 s LEU 24 Ca 0.04 -0.42 -0.17 0.00 -1.03 0.00 0.00 54.13 52.55 1xe0 s LEU 24 Cb -0.12 -1.19 0.06 0.00 0.03 0.00 0.00 46.19 44.97 1xe0 s LEU 24 CO 0.02 0.27 0.84 2.29 0.23 0.00 0.00 176.35 180.00 1xe0 n LYS 25 N 2.59 0.76 -0.19 1.70 2.85 -0.08 -0.36 118.16 125.43 1xe0 n LYS 25 Ca -0.16 -1.60 -0.00 0.00 -1.05 0.00 0.00 58.31 55.50 1xe0 n LYS 25 Cb 0.52 2.08 0.09 0.00 -0.65 0.00 0.00 35.03 37.07 1xe0 n LYS 25 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1xe0 h ALA 26 N 2.00 0.57 -0.85 0.58 0.00 -1.66 -2.29 119.26 117.62 1xe0 h ALA 26 Ca -0.27 0.17 0.15 0.00 0.00 0.00 0.00 54.91 54.96 1xe0 h ALA 26 Cb 1.09 0.28 -0.15 0.00 0.00 0.00 0.00 17.79 19.01 1xe0 h ALA 26 CO 0.35 -0.38 -0.31 -0.44 0.00 0.00 0.00 179.25 178.47 1xe0 h ASP 27 N 0.14 -1.13 -2.53 0.00 3.45 -1.97 -3.38 116.42 110.99 1xe0 h ASP 27 Ca 0.30 0.27 -0.55 0.00 0.43 0.00 0.00 57.03 57.47 1xe0 h ASP 27 Cb 0.47 0.63 -0.38 0.00 -0.56 0.00 0.00 39.33 39.48 1xe0 h ASP 27 CO -0.47 -0.29 -0.83 -0.75 -1.57 0.00 0.00 179.24 175.33 1xe0 s LYS 28 N -6.08 0.52 0.17 3.56 2.20 -0.91 -5.02 119.74 114.18 1xe0 s LYS 28 Ca -0.14 -1.21 0.26 0.00 -0.36 0.00 0.00 55.97 54.51 1xe0 s LYS 28 Cb 0.21 -1.22 0.72 0.00 -1.51 0.00 0.00 37.83 36.02 1xe0 s LYS 28 CO 0.73 -1.19 1.67 1.63 -0.36 0.00 0.00 175.35 177.82 1xe0 n LYS 29 N 4.17 0.25 -4.38 4.03 5.02 -0.92 -0.90 118.16 125.42 1xe0 n LYS 29 Ca 0.10 0.17 -0.27 0.00 -2.02 0.00 0.00 58.31 56.29 1xe0 n LYS 29 Cb 0.38 -1.75 -0.12 0.00 -0.02 0.00 0.00 35.03 33.52 1xe0 n LYS 29 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1xe0 s GLU 30 N -3.11 1.40 -0.05 1.97 2.02 -1.26 -0.59 118.70 119.08 1xe0 s GLU 30 Ca 0.10 -1.39 -0.01 0.00 0.02 0.00 0.00 54.97 53.69 1xe0 s GLU 30 Cb 0.13 -1.78 0.03 0.00 0.10 0.00 0.00 34.13 32.61 1xe0 s GLU 30 CO 0.63 0.41 0.02 -0.47 0.02 0.00 0.00 175.26 175.86 1xe0 s TYR 31 N -1.34 0.35 -0.25 1.61 5.04 -0.53 -4.99 117.35 117.23 1xe0 s TYR 31 Ca 0.15 0.03 -0.06 0.00 -2.44 0.00 0.00 57.07 54.75 1xe0 s TYR 31 Cb -0.09 -0.57 -0.02 0.00 0.35 0.00 0.00 41.96 41.64 1xe0 s TYR 31 CO 0.07 -0.22 0.04 0.45 -1.34 0.00 0.00 175.55 174.55 1xe0 s SER 32 N 1.73 4.86 -0.40 4.32 0.15 -1.26 -0.82 113.70 122.29 1xe0 s SER 32 Ca 0.00 -0.35 -0.15 0.00 0.70 0.00 0.00 55.95 56.15 1xe0 s SER 32 Cb -0.13 -1.86 0.01 0.00 -1.71 0.00 0.00 66.02 62.34 1xe0 s SER 32 CO -0.03 -0.06 0.32 0.12 1.20 0.00 0.00 173.24 174.79 1xe0 s PHE 33 N 1.55 3.22 -0.01 3.44 5.36 -0.28 -5.02 117.98 126.25 1xe0 s PHE 33 Ca 0.06 -0.46 0.02 0.00 -0.96 0.00 0.00 56.93 55.58 1xe0 s PHE 33 Cb -0.15 -2.63 -0.00 0.00 -0.34 0.00 0.00 43.02 39.90 1xe0 s PHE 33 CO 0.01 -0.56 -0.05 0.15 -1.46 0.00 0.00 175.22 173.31 1xe0 s LYS 34 N 1.79 0.46 0.12 10.12 1.02 -1.26 -1.63 119.74 130.35 1xe0 s LYS 34 Ca 0.07 -0.18 0.09 0.00 0.02 0.00 0.00 55.97 55.97 1xe0 s LYS 34 Cb -0.18 -0.45 -0.04 0.00 -0.52 0.00 0.00 37.83 36.64 1xe0 s LYS 34 CO 0.11 0.10 -0.17 0.54 -0.92 0.00 0.00 175.35 175.00 1xe0 s VAL 35 N -0.04 2.87 0.00 3.17 0.11 -1.26 -5.11 120.40 120.14 1xe0 s VAL 35 Ca 0.01 -1.52 0.00 0.00 -2.93 0.00 0.00 61.98 57.54 1xe0 s VAL 35 Cb -0.03 -2.33 0.00 0.00 -1.53 0.00 0.00 36.38 32.49 1xe0 s VAL 35 CO -0.00 0.08 0.00 -0.62 -3.33 0.00 0.00 175.10 171.23 1xe0 n GLU 36 N 0.73 0.00 -2.39 1.54 1.02 -1.26 -5.04 120.64 115.25 1xe0 n GLU 36 Ca -0.15 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 56.74 1xe0 n GLU 36 Cb 0.53 0.00 0.10 0.00 -0.02 0.00 0.00 31.44 32.05 1xe0 n GLU 36 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1xe0 s GLU 39 N 0.78 1.75 0.00 3.49 2.02 -1.26 -5.12 118.70 120.35 1xe0 s GLU 39 Ca 0.00 -0.74 0.00 0.00 0.02 0.00 0.00 54.97 54.25 1xe0 s GLU 39 Cb 0.00 -2.23 0.00 0.00 0.10 0.00 0.00 34.13 32.00 1xe0 s GLU 39 CO 0.00 -1.46 0.00 0.09 0.02 0.00 0.00 175.26 173.91 1xe0 n ASN 40 N -2.95 0.00 -3.93 -0.19 5.03 -1.26 -4.98 115.26 106.98 1xe0 n ASN 40 Ca 0.12 0.00 -0.27 0.00 0.87 0.00 0.00 54.58 55.30 1xe0 n ASN 40 Cb 0.60 0.00 -0.17 0.00 -1.02 0.00 0.00 39.78 39.19 1xe0 n ASN 40 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1xe0 s GLU 41 N 0.00 1.68 -0.05 3.52 2.02 -0.46 -4.97 118.70 120.44 1xe0 s GLU 41 Ca 0.00 -0.32 0.05 0.00 0.02 0.00 0.00 54.97 54.72 1xe0 s GLU 41 Cb 0.00 -1.68 -0.02 0.00 0.10 0.00 0.00 34.13 32.53 1xe0 s GLU 41 CO 0.00 -0.25 -0.19 -1.01 0.02 0.00 0.00 175.26 173.83 1xe0 s HIS 42 N 1.63 2.59 0.00 1.61 3.76 -1.26 -0.88 115.29 122.74 1xe0 s HIS 42 Ca 0.04 -0.36 0.02 0.00 -0.15 0.00 0.00 55.06 54.61 1xe0 s HIS 42 Cb -0.13 -1.62 -0.01 0.00 1.11 0.00 0.00 32.58 31.94 1xe0 s HIS 42 CO -0.08 0.03 -0.05 -0.65 -0.85 0.00 0.00 174.74 173.13 1xe0 s GLN 43 N -0.50 0.42 -0.26 1.40 -1.52 -0.66 -4.40 119.66 114.14 1xe0 s GLN 43 Ca 0.06 -0.29 -0.08 0.00 -1.95 0.00 0.00 55.36 53.10 1xe0 s GLN 43 Cb -0.12 -0.37 -0.03 0.00 -0.22 0.00 0.00 33.01 32.28 1xe0 s GLN 43 CO 0.01 0.09 0.11 -1.17 -0.25 0.00 0.00 175.29 174.08 1xe0 s LEU 44 N -0.40 3.65 -0.36 2.90 2.96 0.11 -1.05 118.68 126.48 1xe0 s LEU 44 Ca -0.00 -0.19 -0.05 0.00 -0.22 0.00 0.00 54.13 53.67 1xe0 s LEU 44 Cb -0.03 -1.98 0.07 0.00 0.50 0.00 0.00 46.19 44.75 1xe0 s LEU 44 CO -0.00 -0.05 0.14 -0.55 -1.32 0.00 0.00 176.35 174.56 1xe0 s SER 45 N 1.65 5.25 0.04 3.68 0.15 0.17 0.12 113.70 124.76 1xe0 s SER 45 Ca 0.06 -1.51 -0.27 0.00 0.70 0.00 0.00 55.95 54.94 1xe0 s SER 45 Cb -0.15 -1.84 -0.05 0.00 -1.71 0.00 0.00 66.02 62.27 1xe0 s SER 45 CO 0.06 -0.41 0.85 -0.76 1.20 0.00 0.00 173.24 174.17 1xe0 s LEU 46 N 1.29 4.43 -0.12 3.45 1.43 0.21 -1.24 118.68 128.13 1xe0 s LEU 46 Ca 0.01 1.55 -0.11 0.00 -1.03 0.00 0.00 54.13 54.55 1xe0 s LEU 46 Cb -0.21 -3.37 -0.05 0.00 0.03 0.00 0.00 46.19 42.58 1xe0 s LEU 46 CO -0.00 -0.07 -0.23 0.54 0.23 0.00 0.00 176.35 176.81 1xe0 n ARG 47 N 3.11 0.37 -4.13 1.70 5.12 0.10 -1.61 116.66 121.32 1xe0 n ARG 47 Ca 0.01 0.15 -0.10 0.00 -1.93 0.00 0.00 57.85 55.98 1xe0 n ARG 47 Cb 0.50 -1.13 -0.10 0.00 -1.16 0.00 0.00 32.46 30.57 1xe0 n ARG 47 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1xe0 s THR 48 N -2.50 0.54 -0.08 0.55 -4.23 -0.86 -0.41 115.64 108.64 1xe0 s THR 48 Ca -0.22 -1.73 0.02 0.00 -1.18 0.00 0.00 61.69 58.58 1xe0 s THR 48 Cb 0.05 -1.42 0.01 0.00 1.34 0.00 0.00 72.50 72.48 1xe0 s THR 48 CO 0.30 -0.81 -0.14 -0.69 -0.54 0.00 0.00 174.62 172.74 1xe0 s VAL 49 N -3.25 1.30 0.04 2.29 1.01 -0.46 -0.67 120.40 120.66 1xe0 s VAL 49 Ca 0.06 -0.56 -0.00 0.00 0.00 0.00 0.00 61.98 61.48 1xe0 s VAL 49 Cb 0.03 -1.19 -0.03 0.00 0.00 0.00 0.00 36.38 35.19 1xe0 s VAL 49 CO -0.05 0.40 -0.03 -0.94 0.00 0.00 0.00 175.10 174.47 1xe0 s SER 50 N 0.77 0.42 -0.04 3.32 1.04 -0.09 -1.29 113.70 117.83 1xe0 s SER 50 Ca -0.12 -0.77 -0.15 0.00 0.48 0.00 0.00 55.95 55.38 1xe0 s SER 50 Cb -0.16 0.15 -0.05 0.00 0.10 0.00 0.00 66.02 66.06 1xe0 s SER 50 CO 0.02 -0.46 0.41 -0.76 0.98 0.00 0.00 173.24 173.44 1xe0 s LEU 51 N -2.26 4.41 0.78 2.42 1.43 -0.32 -0.76 118.68 124.37 1xe0 s LEU 51 Ca -0.03 0.89 -0.10 0.00 -1.03 0.00 0.00 54.13 53.86 1xe0 s LEU 51 Cb -0.00 -2.59 0.08 0.00 0.03 0.00 0.00 46.19 43.71 1xe0 s LEU 51 CO -0.06 0.23 1.12 -0.83 0.23 0.00 0.00 176.35 177.05 1xe0 s GLY 52 N -0.56 1.63 0.40 -3.19 0.00 -0.42 -4.95 107.32 100.24 1xe0 s GLY 52 Ca 0.23 -0.78 0.12 0.00 0.00 0.00 0.00 44.72 44.29 1xe0 s GLY 52 CO 0.12 -0.31 1.92 0.00 0.00 0.00 0.00 173.10 174.82 1xe0 h ALA 53 N -0.90 1.54 -0.12 3.20 0.00 -1.98 -1.73 119.26 119.27 1xe0 h ALA 53 Ca -0.45 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.23 1xe0 h ALA 53 Cb 1.32 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1xe0 h ALA 53 CO 0.63 0.34 0.00 -1.13 0.00 0.00 0.00 179.25 179.09 1xe0 n SER 54 N -4.24 1.45 -4.75 0.00 3.41 -1.26 -4.95 113.62 103.27 1xe0 n SER 54 Ca -0.02 -1.63 -0.41 0.00 -0.26 0.00 0.00 58.87 56.56 1xe0 n SER 54 Cb 0.30 -0.08 -0.04 0.00 -0.26 0.00 0.00 64.21 64.14 1xe0 n SER 54 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xe0 s ALA 55 N -1.85 3.44 0.73 7.33 0.00 -0.65 -4.79 121.76 125.96 1xe0 s ALA 55 Ca 0.33 0.99 -0.16 0.00 0.00 0.00 0.00 51.96 53.13 1xe0 s ALA 55 Cb 0.18 -3.39 0.03 0.00 0.00 0.00 0.00 23.12 19.93 1xe0 s ALA 55 CO 0.27 -0.34 1.21 1.63 0.00 0.00 0.00 175.76 178.53 1xe0 n LYS 56 N 1.63 0.64 -2.85 0.00 5.02 -1.26 -4.90 118.16 116.44 1xe0 n LYS 56 Ca 0.01 0.28 -0.44 0.00 -2.02 0.00 0.00 58.31 56.15 1xe0 n LYS 56 Cb 0.44 -2.45 -0.00 0.00 -0.02 0.00 0.00 35.03 33.00 1xe0 n LYS 56 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1xe0 s ASP 57 N -1.72 6.97 0.02 4.39 2.15 -1.26 -4.64 116.67 122.58 1xe0 s ASP 57 Ca 0.78 -2.76 -0.28 0.00 0.43 0.00 0.00 52.55 50.71 1xe0 s ASP 57 Cb -0.34 -2.45 0.08 0.00 -0.30 0.00 0.00 42.92 39.91 1xe0 s ASP 57 CO 0.46 -0.89 0.70 -1.83 -0.17 0.00 0.00 175.17 173.44 1xe0 s GLU 58 N 2.38 1.07 0.26 4.34 -1.05 -1.26 -4.96 118.70 119.48 1xe0 s GLU 58 Ca 0.45 -0.06 -0.31 0.00 -0.15 0.00 0.00 54.97 54.90 1xe0 s GLU 58 Cb -0.01 0.50 -0.12 0.00 -0.44 0.00 0.00 34.13 34.06 1xe0 s GLU 58 CO 0.01 -0.40 1.62 -0.11 0.95 0.00 0.00 175.26 177.33 1xe0 n LEU 59 N 0.33 4.11 -4.29 1.83 7.94 -1.26 -4.56 117.00 121.11 1xe0 n LEU 59 Ca -0.16 1.12 -0.32 0.00 -1.11 0.00 0.00 56.01 55.53 1xe0 n LEU 59 Cb 0.60 -1.57 -0.16 0.00 0.53 0.00 0.00 43.42 42.83 1xe0 n LEU 59 CO 0.18 0.10 -0.52 -1.00 -1.11 0.00 0.00 177.39 175.03 1xe0 s HIS 60 N 0.38 2.60 -0.08 1.96 3.76 0.63 -3.77 115.29 120.77 1xe0 s HIS 60 Ca 0.68 -0.78 0.02 0.00 -0.15 0.00 0.00 55.06 54.84 1xe0 s HIS 60 Cb -0.52 -1.71 0.01 0.00 1.11 0.00 0.00 32.58 31.48 1xe0 s HIS 60 CO 0.43 -0.26 -0.15 0.08 -0.85 0.00 0.00 174.74 173.99 1xe0 s VAL 61 N 0.11 1.40 -0.16 -0.90 1.01 -0.40 -0.89 120.40 120.58 1xe0 s VAL 61 Ca -0.10 -0.62 -0.01 0.00 0.00 0.00 0.00 61.98 61.24 1xe0 s VAL 61 Cb -0.16 -1.27 -0.01 0.00 0.00 0.00 0.00 36.38 34.95 1xe0 s VAL 61 CO 0.06 0.42 -0.11 -0.69 0.00 0.00 0.00 175.10 174.78 1xe0 s VAL 62 N 0.69 3.03 0.17 2.92 1.01 -0.20 -0.19 120.40 127.83 1xe0 s VAL 62 Ca -0.13 -0.64 0.10 0.00 0.00 0.00 0.00 61.98 61.31 1xe0 s VAL 62 Cb -0.16 -2.31 -0.04 0.00 0.00 0.00 0.00 36.38 33.87 1xe0 s VAL 62 CO 0.03 0.49 -0.20 -1.83 0.00 0.00 0.00 175.10 173.60 1xe0 s GLU 63 N 0.83 1.69 0.02 2.72 -1.05 0.07 -0.24 118.70 122.74 1xe0 s GLU 63 Ca -0.04 -1.39 0.05 0.00 -0.15 0.00 0.00 54.97 53.44 1xe0 s GLU 63 Cb -0.15 -1.97 -0.03 0.00 -0.44 0.00 0.00 34.13 31.53 1xe0 s GLU 63 CO 0.01 0.43 -0.12 0.00 0.95 0.00 0.00 175.26 176.52 1xe0 s ALA 64 N -1.54 2.83 -0.10 -0.84 0.00 -0.10 -0.88 121.76 121.13 1xe0 s ALA 64 Ca 0.21 -1.10 0.01 0.00 0.00 0.00 0.00 51.96 51.08 1xe0 s ALA 64 Cb -0.09 -0.95 0.02 0.00 0.00 0.00 0.00 23.12 22.10 1xe0 s ALA 64 CO 0.11 0.60 -0.12 -2.00 0.00 0.00 0.00 175.76 174.35 1xe0 s GLU 65 N -1.45 1.82 0.07 0.00 2.12 0.64 -1.18 118.70 120.73 1xe0 s GLU 65 Ca 0.16 -0.41 -0.23 0.00 0.36 0.00 0.00 54.97 54.85 1xe0 s GLU 65 Cb -0.11 -1.65 0.08 0.00 0.26 0.00 0.00 34.13 32.71 1xe0 s GLU 65 CO 0.07 -0.12 1.07 0.41 -0.54 0.00 0.00 175.26 176.15 1xe0 n GLY 66 N 4.37 0.44 3.75 -1.50 0.00 -0.52 -1.26 105.19 110.47 1xe0 n GLY 66 Ca -0.18 -1.08 -0.40 0.00 0.00 0.00 0.00 46.02 44.36 1xe0 n GLY 66 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xe0 s ILE 67 N -2.06 4.17 0.60 -0.61 -1.09 -1.26 -0.30 121.20 120.65 1xe0 s ILE 67 Ca 0.25 2.02 0.04 0.00 -2.23 0.00 0.00 60.65 60.72 1xe0 s ILE 67 Cb -0.02 -4.29 0.11 0.00 -1.58 0.00 0.00 42.46 36.68 1xe0 s ILE 67 CO 0.02 0.48 0.82 -0.46 -1.23 0.00 0.00 174.94 174.58 1xe0 n ASN 68 N 1.65 1.53 0.03 3.58 6.94 0.06 -4.90 115.26 124.16 1xe0 n ASN 68 Ca -0.02 -2.19 0.10 0.00 -0.02 0.00 0.00 54.58 52.44 1xe0 n ASN 68 Cb 0.48 -0.50 0.40 0.00 -2.36 0.00 0.00 39.78 37.80 1xe0 n ASN 68 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1xe0 n TYR 69 N -2.46 0.22 0.94 -2.53 4.11 -1.26 -0.97 117.16 115.22 1xe0 n TYR 69 Ca 0.15 0.08 0.10 0.00 -0.00 0.00 0.00 57.90 58.23 1xe0 n TYR 69 Cb 0.54 -0.63 0.30 0.00 -0.00 0.00 0.00 39.34 39.55 1xe0 n TYR 69 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.86 177.25 1xe0 n GLU 70 N -1.70 1.91 -1.02 -3.48 -0.58 -1.26 -4.93 120.64 109.58 1xe0 n GLU 70 Ca 0.04 -1.39 -0.01 0.00 -0.42 0.00 0.00 57.16 55.39 1xe0 n GLU 70 Cb 0.23 -1.40 -0.00 0.00 -0.57 0.00 0.00 31.44 29.70 1xe0 n GLU 70 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xe0 n GLY 71 N 1.20 0.42 3.83 0.62 0.00 -0.14 -5.02 105.19 106.10 1xe0 n GLY 71 Ca 0.16 -0.10 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 1xe0 n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xe0 s LYS 72 N -0.72 3.49 -0.07 1.61 1.02 -1.26 -4.81 119.74 119.00 1xe0 s LYS 72 Ca 0.00 -0.18 -0.30 0.00 0.02 0.00 0.00 55.97 55.51 1xe0 s LYS 72 Cb 0.00 -3.17 -0.02 0.00 -0.52 0.00 0.00 37.83 34.12 1xe0 s LYS 72 CO 0.00 0.70 1.08 0.95 -0.92 0.00 0.00 175.35 177.15 1xe0 s THR 73 N -0.80 4.59 0.24 2.17 -4.23 -1.26 -0.76 115.64 115.59 1xe0 s THR 73 Ca 0.13 1.87 0.11 0.00 -1.18 0.00 0.00 61.69 62.62 1xe0 s THR 73 Cb -0.12 -4.20 -0.05 0.00 1.34 0.00 0.00 72.50 69.47 1xe0 s THR 73 CO 0.03 0.02 -0.19 0.27 -0.54 0.00 0.00 174.62 174.21 1xe0 s ILE 74 N 1.94 2.27 -0.18 2.99 -4.36 0.59 -4.94 121.20 119.51 1xe0 s ILE 74 Ca 0.52 -2.28 -0.03 0.00 -0.26 0.00 0.00 60.65 58.60 1xe0 s ILE 74 Cb -0.21 -2.19 -0.01 0.00 1.25 0.00 0.00 42.46 41.30 1xe0 s ILE 74 CO 0.21 -0.39 -0.07 -0.54 0.24 0.00 0.00 174.94 174.39 1xe0 s LYS 75 N -3.36 3.42 0.03 0.37 1.02 -1.26 -1.43 119.74 118.54 1xe0 s LYS 75 Ca 0.26 -0.63 0.06 0.00 0.02 0.00 0.00 55.97 55.68 1xe0 s LYS 75 Cb -0.05 -2.88 -0.02 0.00 -0.52 0.00 0.00 37.83 34.36 1xe0 s LYS 75 CO 0.12 -0.01 -0.18 0.96 -0.92 0.00 0.00 175.35 175.32 1xe0 s ILE 76 N 0.98 1.43 -0.16 2.17 -4.36 -0.33 -4.97 121.20 115.96 1xe0 s ILE 76 Ca -0.00 -1.07 -0.19 0.00 -0.26 0.00 0.00 60.65 59.13 1xe0 s ILE 76 Cb -0.15 -1.25 -0.04 0.00 1.25 0.00 0.00 42.46 42.28 1xe0 s ILE 76 CO 0.00 0.16 0.52 0.00 0.24 0.00 0.00 174.94 175.85 1xe0 s ALA 77 N -0.76 3.51 -0.13 2.27 0.00 -1.26 -0.93 121.76 124.46 1xe0 s ALA 77 Ca 0.05 -0.29 -0.04 0.00 0.00 0.00 0.00 51.96 51.68 1xe0 s ALA 77 Cb -0.08 -2.76 -0.25 0.00 0.00 0.00 0.00 23.12 20.03 1xe0 s ALA 77 CO 0.01 -0.26 0.33 1.28 0.00 0.00 0.00 175.76 177.13 1xe0 n LEU 78 N 4.32 2.50 -3.60 0.00 4.77 0.66 -4.94 117.00 120.71 1xe0 n LEU 78 Ca -0.05 0.19 -0.13 0.00 -0.03 0.00 0.00 56.01 55.99 1xe0 n LEU 78 Cb 0.51 -0.98 -0.06 0.00 -2.33 0.00 0.00 43.42 40.56 1xe0 n LEU 78 CO 0.43 0.82 0.61 0.00 -1.33 0.00 0.00 177.39 177.92 1xe0 s ALA 79 N -2.56 -1.87 -0.18 -1.18 0.00 -1.08 -5.00 121.76 109.88 1xe0 s ALA 79 Ca -0.22 1.73 0.00 0.00 0.00 0.00 0.00 51.96 53.47 1xe0 s ALA 79 Cb 0.07 -0.90 0.01 0.00 0.00 0.00 0.00 23.12 22.30 1xe0 s ALA 79 CO 0.76 -0.31 -0.16 -1.12 0.00 0.00 0.00 175.76 174.93 1xe0 s SER 80 N -0.34 3.44 0.16 0.00 0.01 -1.26 -1.04 113.70 114.67 1xe0 s SER 80 Ca -0.02 -0.57 0.06 0.00 1.31 0.00 0.00 55.95 56.74 1xe0 s SER 80 Cb -0.03 -1.54 -0.04 0.00 0.21 0.00 0.00 66.02 64.62 1xe0 s SER 80 CO 0.01 0.01 -0.14 -0.76 0.41 0.00 0.00 173.24 172.78 1xe0 s LEU 81 N 1.23 2.49 -0.18 2.44 1.43 -0.07 -4.94 118.68 121.08 1xe0 s LEU 81 Ca 0.03 -0.94 -0.12 0.00 -1.03 0.00 0.00 54.13 52.07 1xe0 s LEU 81 Cb -0.14 -0.57 0.06 0.00 0.03 0.00 0.00 46.19 45.57 1xe0 s LEU 81 CO -0.08 -0.19 0.45 -0.75 0.23 0.00 0.00 176.35 176.01 1xe0 s LYS 82 N -3.30 0.47 0.28 1.70 2.20 -0.77 -0.27 119.74 120.05 1xe0 s LYS 82 Ca 0.16 0.79 -0.02 0.00 -0.36 0.00 0.00 55.97 56.55 1xe0 s LYS 82 Cb -0.02 0.07 0.39 0.00 -1.51 0.00 0.00 37.83 36.77 1xe0 s LYS 82 CO 0.04 -0.13 1.85 -1.35 -0.36 0.00 0.00 175.35 175.40 1xe0 h PRO 83 N 6.63 0.90 -0.00 4.03 0.11 -1.81 0.30 132.00 142.16 1xe0 h PRO 83 Ca -0.33 -0.16 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1xe0 h PRO 83 Cb 1.19 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1xe0 h PRO 83 CO 0.26 0.76 -0.00 -1.13 -0.21 0.00 0.00 178.00 177.67 1xe0 n SER 84 N -4.30 0.29 0.00 -2.05 3.41 -1.26 -4.39 113.62 105.32 1xe0 n SER 84 Ca 0.05 -1.06 0.00 0.00 -0.26 0.00 0.00 58.87 57.60 1xe0 n SER 84 Cb 0.19 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.13 1xe0 n SER 84 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1xe0 n VAL 85 N -0.79 0.02 -2.86 -3.33 0.31 -0.89 -5.03 118.33 105.76 1xe0 n VAL 85 Ca 0.23 0.01 -0.04 0.00 -0.01 0.00 0.00 64.34 64.52 1xe0 n VAL 85 Cb 0.16 -1.23 0.00 0.00 -0.91 0.00 0.00 33.84 31.87 1xe0 n VAL 85 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 1xe0 s GLN 86 N -2.00 1.03 0.40 5.55 0.74 0.10 -4.97 119.66 120.51 1xe0 s GLN 86 Ca 0.00 -0.98 0.21 0.00 0.05 0.00 0.00 55.36 54.64 1xe0 s GLN 86 Cb 0.00 -0.08 0.72 0.00 1.10 0.00 0.00 33.01 34.75 1xe0 s GLN 86 CO 0.00 -1.31 1.74 -1.00 -0.55 0.00 0.00 175.29 174.17 1xe0 h PRO 87 N 5.35 0.00 -4.85 1.67 0.13 -1.73 -2.04 132.00 130.52 1xe0 h PRO 87 Ca 0.07 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.81 1xe0 h PRO 87 Cb 1.11 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 31.98 1xe0 h PRO 87 CO 0.04 0.29 -0.77 0.99 -0.23 0.00 0.00 178.00 178.32 1xe0 s THR 88 N -3.53 0.78 -0.06 1.56 2.01 -1.26 -1.18 115.64 113.96 1xe0 s THR 88 Ca 0.01 -0.69 0.03 0.00 0.31 0.00 0.00 61.69 61.35 1xe0 s THR 88 Cb 0.10 -0.71 0.01 0.00 0.01 0.00 0.00 72.50 71.91 1xe0 s THR 88 CO 0.67 0.03 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.79 1xe0 s VAL 89 N -0.61 1.25 -0.23 3.82 1.01 -0.41 -5.01 120.40 120.22 1xe0 s VAL 89 Ca 0.00 -0.56 -0.19 0.00 0.00 0.00 0.00 61.98 61.23 1xe0 s VAL 89 Cb -0.06 -1.12 -0.03 0.00 0.00 0.00 0.00 36.38 35.17 1xe0 s VAL 89 CO 0.00 0.38 0.58 -0.55 0.00 0.00 0.00 175.10 175.51 1xe0 s SER 90 N 0.52 6.57 0.15 3.32 0.15 -1.26 -1.36 113.70 121.79 1xe0 s SER 90 Ca -0.13 0.69 0.26 0.00 0.70 0.00 0.00 55.95 57.47 1xe0 s SER 90 Cb -0.15 -2.32 0.68 0.00 -1.71 0.00 0.00 66.02 62.52 1xe0 s SER 90 CO 0.04 -0.28 1.62 0.18 1.20 0.00 0.00 173.24 176.01 1xe0 n LEU 91 N 5.25 0.70 -0.85 3.45 4.77 0.45 -4.98 117.00 125.78 1xe0 n LEU 91 Ca -0.03 0.43 -0.09 0.00 -0.03 0.00 0.00 56.01 56.30 1xe0 n LEU 91 Cb 0.50 -0.29 -0.02 0.00 -2.33 0.00 0.00 43.42 41.28 1xe0 n LEU 91 CO 0.42 -0.11 -0.10 0.61 -1.33 0.00 0.00 177.39 176.88 1xe0 n GLY 92 N 1.34 0.43 1.02 -0.72 0.00 -1.21 -3.97 105.19 102.09 1xe0 n GLY 92 Ca 0.05 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.49 1xe0 n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xe0 n GLY 93 N -1.38 0.79 3.53 -0.02 0.00 -0.64 -5.01 105.19 102.46 1xe0 n GLY 93 Ca -0.10 -0.44 -0.41 0.00 0.00 0.00 0.00 46.02 45.07 1xe0 n GLY 93 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1xe0 s PHE 94 N -2.68 2.37 0.13 1.61 5.99 -0.68 -4.74 117.98 119.97 1xe0 s PHE 94 Ca 0.00 -0.20 -0.30 0.00 0.00 0.00 0.00 56.93 56.43 1xe0 s PHE 94 Cb 0.00 -4.58 -0.07 0.00 0.00 0.00 0.00 43.02 38.38 1xe0 s PHE 94 CO 0.00 -2.00 1.13 -1.21 -0.00 0.00 0.00 175.22 173.14 1xe0 s GLU 95 N 5.39 4.53 -0.01 10.12 2.02 -1.26 -0.62 118.70 138.87 1xe0 s GLU 95 Ca 0.34 1.72 0.03 0.00 0.02 0.00 0.00 54.97 57.08 1xe0 s GLU 95 Cb -0.09 -3.31 -0.01 0.00 0.10 0.00 0.00 34.13 30.82 1xe0 s GLU 95 CO 0.12 -0.05 -0.11 0.42 0.02 0.00 0.00 175.26 175.66 1xe0 s ILE 96 N 0.29 0.89 -0.05 -1.63 1.01 0.12 -4.95 121.20 116.88 1xe0 s ILE 96 Ca 0.53 -0.46 -0.27 0.00 0.00 0.00 0.00 60.65 60.45 1xe0 s ILE 96 Cb -0.29 -0.75 -0.03 0.00 0.01 0.00 0.00 42.46 41.40 1xe0 s ILE 96 CO 0.33 0.26 0.86 -0.89 0.00 0.00 0.00 174.94 175.49 1xe0 s THR 97 N -0.14 4.93 0.64 2.92 2.01 -1.26 -0.71 115.64 124.04 1xe0 s THR 97 Ca 0.02 1.77 -0.16 0.00 0.31 0.00 0.00 61.69 63.63 1xe0 s THR 97 Cb -0.06 -4.19 -0.01 0.00 0.01 0.00 0.00 72.50 68.25 1xe0 s THR 97 CO -0.00 0.17 1.13 -2.16 -0.69 0.00 0.00 174.62 173.07 1xe0 s PRO 98 N 1.13 2.83 0.39 4.92 0.04 -1.26 -4.46 135.00 138.59 1xe0 s PRO 98 Ca 0.45 1.50 -0.08 0.00 0.04 0.00 0.00 61.00 62.91 1xe0 s PRO 98 Cb -0.19 -1.95 -0.06 0.00 0.04 0.00 0.00 34.50 32.35 1xe0 s PRO 98 CO 0.22 -1.24 0.72 -1.25 0.04 0.00 0.00 177.00 175.48 1xe0 s PRO 99 N -3.87 3.71 -0.05 0.56 0.04 -1.26 -5.00 135.00 129.13 1xe0 s PRO 99 Ca 0.70 0.32 -0.08 0.00 0.04 0.00 0.00 61.00 61.98 1xe0 s PRO 99 Cb -0.23 -2.45 0.02 0.00 0.04 0.00 0.00 34.50 31.88 1xe0 s PRO 99 CO 0.39 0.00 0.20 0.54 0.04 0.00 0.00 177.00 178.17 1xe0 s VAL 100 N -2.35 0.03 -0.12 -0.36 0.11 -0.65 -4.54 120.40 112.52 1xe0 s VAL 100 Ca 0.49 -0.22 -0.05 0.00 -2.93 0.00 0.00 61.98 59.28 1xe0 s VAL 100 Cb -0.10 -0.35 -0.04 0.00 -1.53 0.00 0.00 36.38 34.36 1xe0 s VAL 100 CO 0.33 -0.12 0.04 -0.63 -3.33 0.00 0.00 175.10 171.39 1xe0 s ILE 101 N -0.39 4.67 -0.08 7.04 1.01 -0.39 -1.13 121.20 131.94 1xe0 s ILE 101 Ca -0.05 -0.10 -0.03 0.00 0.00 0.00 0.00 60.65 60.47 1xe0 s ILE 101 Cb -0.03 -3.03 -0.04 0.00 0.01 0.00 0.00 42.46 39.37 1xe0 s ILE 101 CO 0.01 0.56 0.08 -0.76 0.00 0.00 0.00 174.94 174.83 1xe0 s LEU 102 N -0.49 3.97 -0.10 2.97 1.43 -0.00 -0.26 118.68 126.20 1xe0 s LEU 102 Ca 0.10 0.27 -0.08 0.00 -1.03 0.00 0.00 54.13 53.38 1xe0 s LEU 102 Cb -0.12 -2.04 0.03 0.00 0.03 0.00 0.00 46.19 44.09 1xe0 s LEU 102 CO 0.02 0.36 0.25 -0.60 0.23 0.00 0.00 176.35 176.62 1xe0 s ARG 103 N -1.17 0.28 -0.78 1.70 3.52 -0.06 -1.46 118.95 120.98 1xe0 s ARG 103 Ca 0.17 0.39 -0.26 0.00 -0.13 0.00 0.00 55.73 55.90 1xe0 s ARG 103 Cb -0.12 0.09 0.04 0.00 -1.56 0.00 0.00 34.95 33.40 1xe0 s ARG 103 CO 0.06 -0.06 1.28 -1.17 -0.81 0.00 0.00 175.30 174.60 1xe0 s LEU 104 N 0.36 3.35 -0.02 -0.88 2.96 0.25 -0.75 118.68 123.95 1xe0 s LEU 104 Ca -0.02 -0.68 -0.24 0.00 -0.22 0.00 0.00 54.13 52.97 1xe0 s LEU 104 Cb -0.03 -2.55 -0.20 0.00 0.50 0.00 0.00 46.19 43.91 1xe0 s LEU 104 CO -0.02 -1.74 1.20 0.50 -1.32 0.00 0.00 176.35 174.97 1xe0 h LYS 105 N 9.93 0.16 -4.09 1.98 3.64 -0.90 -3.47 116.57 123.84 1xe0 h LYS 105 Ca -0.20 -0.11 -0.11 0.00 -1.27 0.00 0.00 60.65 58.96 1xe0 h LYS 105 Cb 1.05 0.02 -0.15 0.00 -0.41 0.00 0.00 32.23 32.74 1xe0 h LYS 105 CO 1.29 0.72 -0.56 -1.54 -2.27 0.00 0.00 179.45 177.09 1xe0 s SER 106 N -6.04 0.34 0.00 4.20 1.04 -1.17 -4.96 113.70 107.11 1xe0 s SER 106 Ca -0.15 -0.88 0.00 0.00 0.48 0.00 0.00 55.95 55.39 1xe0 s SER 106 Cb 0.02 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.40 1xe0 s SER 106 CO 0.72 -0.66 0.00 0.61 0.98 0.00 0.00 173.24 174.89 1xe0 n GLY 107 N 0.03 -0.56 0.11 7.32 0.00 -1.25 -1.27 105.19 109.58 1xe0 n GLY 107 Ca -0.14 -1.66 -0.12 0.00 0.00 0.00 0.00 46.02 44.10 1xe0 n GLY 107 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1xe0 h SER 108 N 0.00 0.25 -1.00 1.61 4.64 -1.91 -3.42 113.55 113.74 1xe0 h SER 108 Ca 0.00 -0.28 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 1xe0 h SER 108 Cb 0.00 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 1xe0 h SER 108 CO 0.00 0.47 0.00 0.61 -0.87 0.00 0.00 176.83 177.04 1xe0 n GLY 109 N -0.38 -0.66 3.76 -0.77 0.00 -1.26 -2.06 105.19 103.82 1xe0 n GLY 109 Ca -0.05 -0.99 -0.38 0.00 0.00 0.00 0.00 46.02 44.60 1xe0 n GLY 109 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xe0 s PRO 110 N 0.00 3.44 -0.04 1.61 0.04 -1.26 -4.08 135.00 134.71 1xe0 s PRO 110 Ca 0.00 2.04 0.06 0.00 0.04 0.00 0.00 61.00 63.14 1xe0 s PRO 110 Cb 0.00 -2.34 -0.01 0.00 0.04 0.00 0.00 34.50 32.18 1xe0 s PRO 110 CO 0.00 -0.89 -0.23 0.08 0.04 0.00 0.00 177.00 176.00 1xe0 s VAL 111 N -1.40 1.88 -0.00 -0.36 1.01 0.51 -1.30 120.40 120.74 1xe0 s VAL 111 Ca 0.67 -0.99 0.06 0.00 0.00 0.00 0.00 61.98 61.73 1xe0 s VAL 111 Cb -0.35 -1.58 -0.03 0.00 0.00 0.00 0.00 36.38 34.42 1xe0 s VAL 111 CO 0.42 0.53 -0.20 -0.31 0.00 0.00 0.00 175.10 175.55 1xe0 s TYR 112 N -0.31 2.53 -0.08 5.22 1.51 0.06 -0.35 117.35 125.93 1xe0 s TYR 112 Ca 0.02 -0.28 0.03 0.00 -1.01 0.00 0.00 57.07 55.83 1xe0 s TYR 112 Cb -0.11 -1.52 0.01 0.00 -0.11 0.00 0.00 41.96 40.23 1xe0 s TYR 112 CO 0.01 0.15 -0.18 0.08 -1.11 0.00 0.00 175.55 174.51 1xe0 s VAL 113 N -0.78 1.56 0.09 0.71 1.01 -0.61 -0.91 120.40 121.47 1xe0 s VAL 113 Ca 0.12 -0.72 0.09 0.00 0.00 0.00 0.00 61.98 61.47 1xe0 s VAL 113 Cb -0.10 -1.38 -0.03 0.00 0.00 0.00 0.00 36.38 34.87 1xe0 s VAL 113 CO 0.02 0.45 -0.24 -0.94 0.00 0.00 0.00 175.10 174.39 1xe0 s SER 114 N 0.52 2.93 0.00 3.32 1.04 0.15 -1.61 113.70 120.05 1xe0 s SER 114 Ca -0.17 -0.66 0.00 0.00 0.48 0.00 0.00 55.95 55.61 1xe0 s SER 114 Cb -0.17 -0.21 0.00 0.00 0.10 0.00 0.00 66.02 65.74 1xe0 s SER 114 CO 0.06 0.16 0.00 0.61 0.98 0.00 0.00 173.24 175.05 1xe0 n GLY 115 N 1.32 1.22 3.31 7.32 0.00 0.02 0.02 105.19 118.40 1xe0 n GLY 115 Ca -0.18 -0.65 -0.31 0.00 0.00 0.00 0.00 46.02 44.88 1xe0 n GLY 115 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xe0 s GLN 116 N 0.75 2.16 -0.28 1.61 -0.21 -0.38 -1.04 119.66 122.28 1xe0 s GLN 116 Ca 0.00 -0.92 -0.11 0.00 0.02 0.00 0.00 55.36 54.35 1xe0 s GLN 116 Cb 0.00 -2.06 -0.05 0.00 1.00 0.00 0.00 33.01 31.90 1xe0 s GLN 116 CO 0.00 0.55 0.19 -1.58 -2.12 0.00 0.00 175.29 172.32 1xe0 s HIS 117 N -0.58 3.22 -0.03 0.91 5.65 0.41 -0.65 115.29 124.22 1xe0 s HIS 117 Ca 0.09 0.11 0.01 0.00 0.25 0.00 0.00 55.06 55.52 1xe0 s HIS 117 Cb -0.10 -2.37 -0.03 0.00 -1.18 0.00 0.00 32.58 28.89 1xe0 s HIS 117 CO -0.01 -0.16 -0.04 -0.51 -0.65 0.00 0.00 174.74 173.38 1xe0 s LEU 118 N 1.73 3.34 -0.06 8.88 1.43 -0.22 -1.13 118.68 132.65 1xe0 s LEU 118 Ca 0.07 -0.03 -0.03 0.00 -1.03 0.00 0.00 54.13 53.11 1xe0 s LEU 118 Cb -0.16 -1.85 0.04 0.00 0.03 0.00 0.00 46.19 44.25 1xe0 s LEU 118 CO 0.11 0.31 0.12 -0.69 0.23 0.00 0.00 176.35 176.43 1xe0 s VAL 119 N -0.97 -0.16 0.00 -1.59 1.01 -0.61 -1.65 120.40 116.43 1xe0 s VAL 119 Ca 0.16 0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.47 1xe0 s VAL 119 Cb -0.11 -0.23 0.00 0.00 0.00 0.00 0.00 36.38 36.04 1xe0 s VAL 119 CO 0.06 0.14 0.46 0.00 0.00 0.00 0.00 175.10 175.76