#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 3.27 -0.21 -1.46 -0.21 0.58 -4.95 119.66 116.68 1xe0 s GLN 16 Ca 0.00 -0.43 -0.01 0.00 0.02 0.00 0.00 55.36 54.93 1xe0 s GLN 16 Cb 0.00 -2.98 0.06 0.00 1.00 0.00 0.00 33.01 31.09 1xe0 s GLN 16 CO 0.00 0.64 -0.01 1.21 -2.12 0.00 0.00 175.29 175.02 1xe0 s ASN 17 N -2.04 3.30 -0.03 5.90 2.47 -1.26 -1.15 114.94 122.12 1xe0 s ASN 17 Ca 0.28 -0.96 0.01 0.00 0.42 0.00 0.00 52.86 52.60 1xe0 s ASN 17 Cb -0.12 -0.86 -0.03 0.00 -1.45 0.00 0.00 41.25 38.79 1xe0 s ASN 17 CO 0.19 -0.27 -0.02 -0.36 -3.72 0.00 0.00 177.10 172.92 1xe0 s PHE 18 N 1.65 3.04 0.29 0.43 0.40 -0.56 -4.96 117.98 118.28 1xe0 s PHE 18 Ca -0.03 0.08 -0.29 0.00 -0.60 0.00 0.00 56.93 56.09 1xe0 s PHE 18 Cb -0.18 -1.70 -0.13 0.00 0.51 0.00 0.00 43.02 41.53 1xe0 s PHE 18 CO -0.07 0.43 1.33 1.28 0.70 0.00 0.00 175.22 178.89 1xe0 n LEU 19 N 1.75 3.27 -4.12 -0.37 4.77 -1.26 -0.48 117.00 120.56 1xe0 n LEU 19 Ca -0.16 1.18 -0.22 0.00 -0.03 0.00 0.00 56.01 56.78 1xe0 n LEU 19 Cb 0.53 -1.45 -0.14 0.00 -2.33 0.00 0.00 43.42 40.02 1xe0 n LEU 19 CO 0.31 -0.53 -0.47 0.12 -1.33 0.00 0.00 177.39 175.49 1xe0 s PHE 20 N -0.62 1.25 0.06 -1.77 5.36 -0.43 -4.64 117.98 117.19 1xe0 s PHE 20 Ca 0.61 -0.28 -0.20 0.00 -0.96 0.00 0.00 56.93 56.10 1xe0 s PHE 20 Cb -0.61 -0.78 0.05 0.00 -0.34 0.00 0.00 43.02 41.33 1xe0 s PHE 20 CO 0.56 0.00 0.48 0.20 -1.46 0.00 0.00 175.22 175.00 1xe0 s GLY 21 N -0.61 -0.37 0.10 13.12 0.00 -1.26 -1.34 107.32 116.95 1xe0 s GLY 21 Ca 0.04 0.44 -0.09 0.00 0.00 0.00 0.00 44.72 45.11 1xe0 s GLY 21 CO 0.00 0.16 0.22 0.00 0.00 0.00 0.00 173.10 173.48 1xe0 s GLU 23 N -3.87 2.41 -0.06 0.00 2.12 -1.26 -0.94 118.70 117.09 1xe0 s GLU 23 Ca 0.07 -0.75 0.06 0.00 0.36 0.00 0.00 54.97 54.71 1xe0 s GLU 23 Cb 0.04 -1.94 -0.01 0.00 0.26 0.00 0.00 34.13 32.48 1xe0 s GLU 23 CO -0.09 0.22 -0.25 -0.51 -0.54 0.00 0.00 175.26 174.09 1xe0 s LEU 24 N 0.19 2.09 0.31 2.70 1.43 -0.12 -4.92 118.68 120.37 1xe0 s LEU 24 Ca -0.11 -0.50 -0.14 0.00 -1.03 0.00 0.00 54.13 52.35 1xe0 s LEU 24 Cb -0.15 -1.38 0.02 0.00 0.03 0.00 0.00 46.19 44.71 1xe0 s LEU 24 CO 0.05 0.25 0.63 -1.59 0.23 0.00 0.00 176.35 175.92 1xe0 s LYS 25 N -0.18 1.87 0.40 1.70 -2.85 -0.17 -0.68 119.74 119.84 1xe0 s LYS 25 Ca -0.03 -1.32 0.14 0.00 -1.00 0.00 0.00 55.97 53.76 1xe0 s LYS 25 Cb -0.14 0.55 0.99 0.00 -2.06 0.00 0.00 37.83 37.17 1xe0 s LYS 25 CO 0.04 -0.83 1.90 0.00 0.10 0.00 0.00 175.35 176.55 1xe0 h ALA 26 N 2.09 2.04 -0.54 0.59 0.00 -1.69 -0.97 119.26 120.79 1xe0 h ALA 26 Ca -0.26 0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.69 1xe0 h ALA 26 Cb 1.25 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 1xe0 h ALA 26 CO 0.34 -0.27 0.36 0.22 0.00 0.00 0.00 179.25 179.90 1xe0 h ASP 27 N 0.50 0.53 -1.53 0.00 3.58 -1.96 -3.40 116.42 114.13 1xe0 h ASP 27 Ca 0.41 -0.01 -0.27 0.00 0.42 0.00 0.00 57.03 57.58 1xe0 h ASP 27 Cb 0.86 -0.12 -0.25 0.00 1.72 0.00 0.00 39.33 41.53 1xe0 h ASP 27 CO -0.15 0.36 -0.62 -0.75 -2.88 0.00 0.00 179.24 175.20 1xe0 s LYS 28 N -5.54 0.85 0.25 0.28 2.20 -0.42 -5.03 119.74 112.33 1xe0 s LYS 28 Ca -0.09 -0.99 0.26 0.00 -0.36 0.00 0.00 55.97 54.79 1xe0 s LYS 28 Cb 0.18 -0.45 0.75 0.00 -1.51 0.00 0.00 37.83 36.80 1xe0 s LYS 28 CO 0.75 -1.26 1.75 0.87 -0.36 0.00 0.00 175.35 177.10 1xe0 h LYS 29 N 6.22 0.00 -6.59 4.03 1.57 -1.65 -0.44 116.57 119.72 1xe0 h LYS 29 Ca 0.09 0.00 -0.68 0.00 -1.87 0.00 0.00 60.65 58.18 1xe0 h LYS 29 Cb 1.08 0.00 -0.28 0.00 0.08 0.00 0.00 32.23 33.10 1xe0 h LYS 29 CO 0.15 0.00 -0.88 -1.21 -0.57 0.00 0.00 179.45 176.94 1xe0 s GLU 30 N -3.13 1.91 -0.12 3.15 2.02 -1.26 -0.47 118.70 120.81 1xe0 s GLU 30 Ca 0.10 -0.99 0.01 0.00 0.02 0.00 0.00 54.97 54.11 1xe0 s GLU 30 Cb 0.11 -1.95 0.02 0.00 0.10 0.00 0.00 34.13 32.41 1xe0 s GLU 30 CO 0.60 0.52 -0.14 -0.47 0.02 0.00 0.00 175.26 175.80 1xe0 s TYR 31 N -0.69 1.92 -0.34 1.61 5.04 0.00 -4.99 117.35 119.90 1xe0 s TYR 31 Ca 0.10 -0.95 -0.12 0.00 -2.44 0.00 0.00 57.07 53.67 1xe0 s TYR 31 Cb -0.10 -1.42 -0.01 0.00 0.35 0.00 0.00 41.96 40.79 1xe0 s TYR 31 CO 0.00 -0.52 0.23 0.45 -1.34 0.00 0.00 175.55 174.37 1xe0 s SER 32 N 1.19 5.95 -0.45 4.32 0.15 -1.26 -0.03 113.70 123.57 1xe0 s SER 32 Ca -0.03 -0.49 -0.14 0.00 0.70 0.00 0.00 55.95 56.00 1xe0 s SER 32 Cb -0.14 -2.11 0.07 0.00 -1.71 0.00 0.00 66.02 62.13 1xe0 s SER 32 CO -0.04 -0.24 0.34 0.12 1.20 0.00 0.00 173.24 174.61 1xe0 s PHE 33 N 1.69 3.27 0.14 3.44 5.36 -0.02 -5.01 117.98 126.85 1xe0 s PHE 33 Ca 0.06 -1.03 0.07 0.00 -0.96 0.00 0.00 56.93 55.06 1xe0 s PHE 33 Cb -0.17 -3.00 -0.04 0.00 -0.34 0.00 0.00 43.02 39.46 1xe0 s PHE 33 CO 0.10 -0.78 -0.15 -1.59 -1.46 0.00 0.00 175.22 171.34 1xe0 s LYS 34 N 1.59 1.11 -0.05 10.12 -2.85 -1.26 -1.55 119.74 126.85 1xe0 s LYS 34 Ca 0.04 -1.31 0.05 0.00 -1.00 0.00 0.00 55.97 53.75 1xe0 s LYS 34 Cb -0.23 -1.01 -0.01 0.00 -2.06 0.00 0.00 37.83 34.52 1xe0 s LYS 34 CO 0.06 0.19 -0.21 0.08 0.10 0.00 0.00 175.35 175.57 1xe0 s VAL 35 N -2.23 1.74 -0.11 1.79 1.01 -1.26 -5.09 120.40 116.25 1xe0 s VAL 35 Ca 0.12 -0.90 -0.29 0.00 0.00 0.00 0.00 61.98 60.91 1xe0 s VAL 35 Cb -0.04 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.83 1xe0 s VAL 35 CO 0.04 0.49 1.44 -0.70 0.00 0.00 0.00 175.10 176.37 1xe0 s GLU 36 N -0.12 4.21 -0.21 2.72 2.12 -1.26 -4.85 118.70 121.31 1xe0 s GLU 36 Ca -0.02 1.90 -0.40 0.00 0.36 0.00 0.00 54.97 56.81 1xe0 s GLU 36 Cb -0.12 -3.86 -0.17 0.00 0.26 0.00 0.00 34.13 30.24 1xe0 s GLU 36 CO 0.02 -0.77 1.60 -3.47 -0.54 0.00 0.00 175.26 172.11 1xe0 n ASP 37 N 6.82 1.97 0.00 -1.70 2.03 -1.26 -4.87 116.55 119.53 1xe0 n ASP 37 Ca 0.15 1.10 0.00 0.00 0.52 0.00 0.00 54.79 56.57 1xe0 n ASP 37 Cb 0.44 -1.11 0.00 0.00 -0.72 0.00 0.00 41.12 39.73 1xe0 n ASP 37 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1xe0 n ASP 38 N 4.39 0.72 0.00 1.67 5.68 -1.26 -5.01 116.55 122.74 1xe0 n ASP 38 Ca 0.25 -0.05 0.00 0.00 -0.50 0.00 0.00 54.79 54.48 1xe0 n ASP 38 Cb 0.12 0.25 0.00 0.00 -1.14 0.00 0.00 41.12 40.35 1xe0 n ASP 38 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 1xe0 n GLU 39 N -0.33 0.00 -3.52 0.11 -0.00 -1.26 -5.09 120.64 110.56 1xe0 n GLU 39 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 57.16 56.96 1xe0 n GLU 39 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 31.44 31.41 1xe0 n GLU 39 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.13 176.33 1xe0 s ASN 40 N -1.10 5.15 -0.19 -1.84 0.01 -1.26 -5.01 114.94 110.69 1xe0 s ASN 40 Ca 0.00 -0.68 -0.15 0.00 -0.71 0.00 0.00 52.86 51.32 1xe0 s ASN 40 Cb 0.00 -0.62 -0.04 0.00 0.41 0.00 0.00 41.25 41.00 1xe0 s ASN 40 CO 0.00 -0.64 0.34 -1.61 -1.51 0.00 0.00 177.10 173.68 1xe0 s GLU 41 N -4.15 4.19 0.05 -0.60 0.41 -0.50 -4.96 118.70 113.15 1xe0 s GLU 41 Ca 0.48 0.12 0.08 0.00 -0.41 0.00 0.00 54.97 55.25 1xe0 s GLU 41 Cb -0.04 -3.50 -0.03 0.00 -1.78 0.00 0.00 34.13 28.78 1xe0 s GLU 41 CO 0.28 0.06 -0.23 -1.01 -0.49 0.00 0.00 175.26 173.88 1xe0 s HIS 42 N 1.01 2.43 0.02 1.61 3.76 -1.26 -0.80 115.29 122.06 1xe0 s HIS 42 Ca 0.17 -0.34 0.01 0.00 -0.15 0.00 0.00 55.06 54.75 1xe0 s HIS 42 Cb -0.14 -1.41 -0.01 0.00 1.11 0.00 0.00 32.58 32.12 1xe0 s HIS 42 CO 0.06 0.20 -0.03 -0.65 -0.85 0.00 0.00 174.74 173.47 1xe0 s GLN 43 N -1.40 0.28 -0.32 1.40 -1.52 -0.60 -4.40 119.66 113.11 1xe0 s GLN 43 Ca 0.13 -0.44 -0.13 0.00 -1.95 0.00 0.00 55.36 52.97 1xe0 s GLN 43 Cb -0.10 -0.04 -0.03 0.00 -0.22 0.00 0.00 33.01 32.62 1xe0 s GLN 43 CO 0.04 -0.00 0.25 -1.17 -0.25 0.00 0.00 175.29 174.16 1xe0 s LEU 44 N -0.99 4.32 -0.33 2.90 2.96 0.17 -0.88 118.68 126.83 1xe0 s LEU 44 Ca -0.09 -0.21 -0.08 0.00 -0.22 0.00 0.00 54.13 53.52 1xe0 s LEU 44 Cb -0.07 -2.18 0.02 0.00 0.50 0.00 0.00 46.19 44.46 1xe0 s LEU 44 CO -0.00 -0.19 0.13 -0.55 -1.32 0.00 0.00 176.35 174.42 1xe0 s SER 45 N 1.73 5.42 0.03 3.68 0.15 -0.06 -0.28 113.70 124.37 1xe0 s SER 45 Ca 0.08 -0.84 -0.28 0.00 0.70 0.00 0.00 55.95 55.61 1xe0 s SER 45 Cb -0.17 -1.94 -0.04 0.00 -1.71 0.00 0.00 66.02 62.16 1xe0 s SER 45 CO 0.11 -0.27 0.89 -0.76 1.20 0.00 0.00 173.24 174.41 1xe0 s LEU 46 N 1.52 4.42 -0.06 3.45 1.43 0.08 -0.65 118.68 128.86 1xe0 s LEU 46 Ca 0.02 1.59 -0.10 0.00 -1.03 0.00 0.00 54.13 54.60 1xe0 s LEU 46 Cb -0.18 -3.44 -0.03 0.00 0.03 0.00 0.00 46.19 42.57 1xe0 s LEU 46 CO 0.04 -0.13 -0.20 0.54 0.23 0.00 0.00 176.35 176.84 1xe0 n ARG 47 N 3.33 0.31 -4.12 1.70 5.12 0.52 -1.40 116.66 122.10 1xe0 n ARG 47 Ca 0.02 0.12 -0.12 0.00 -1.93 0.00 0.00 57.85 55.94 1xe0 n ARG 47 Cb 0.50 -1.04 -0.11 0.00 -1.16 0.00 0.00 32.46 30.66 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 -2.52 0.65 -0.03 0.55 -4.23 -1.08 -0.65 115.64 108.33 1xe0 s THR 48 Ca -0.17 -1.54 0.05 0.00 -1.18 0.00 0.00 61.69 58.86 1xe0 s THR 48 Cb 0.02 -1.19 -0.01 0.00 1.34 0.00 0.00 72.50 72.66 1xe0 s THR 48 CO 0.25 -0.63 -0.19 -0.69 -0.54 0.00 0.00 174.62 172.82 1xe0 s VAL 49 N -2.54 1.56 0.04 2.29 1.01 -0.54 -0.69 120.40 121.53 1xe0 s VAL 49 Ca 0.02 -0.81 -0.15 0.00 0.00 0.00 0.00 61.98 61.03 1xe0 s VAL 49 Cb -0.02 -1.32 0.03 0.00 0.00 0.00 0.00 36.38 35.07 1xe0 s VAL 49 CO -0.02 0.44 0.34 -0.94 0.00 0.00 0.00 175.10 174.93 1xe0 s SER 50 N -0.21 -0.19 -0.10 3.32 1.04 -0.16 -1.37 113.70 116.04 1xe0 s SER 50 Ca 0.01 -0.11 -0.11 0.00 0.48 0.00 0.00 55.95 56.22 1xe0 s SER 50 Cb -0.10 0.38 -0.05 0.00 0.10 0.00 0.00 66.02 66.35 1xe0 s SER 50 CO 0.01 -0.63 0.26 -0.76 0.98 0.00 0.00 173.24 173.10 1xe0 s LEU 51 N -2.02 4.37 0.82 2.42 1.43 0.09 -0.64 118.68 125.16 1xe0 s LEU 51 Ca -0.05 0.62 -0.12 0.00 -1.03 0.00 0.00 54.13 53.55 1xe0 s LEU 51 Cb -0.01 -2.31 0.09 0.00 0.03 0.00 0.00 46.19 43.99 1xe0 s LEU 51 CO -0.03 0.30 1.15 -0.83 0.23 0.00 0.00 176.35 177.17 1xe0 s GLY 52 N -0.62 1.59 0.39 -3.19 0.00 -0.24 -4.95 107.32 100.30 1xe0 s GLY 52 Ca 0.18 -0.52 0.12 0.00 0.00 0.00 0.00 44.72 44.49 1xe0 s GLY 52 CO 0.07 -0.04 1.90 0.00 0.00 0.00 0.00 173.10 175.03 1xe0 h ALA 53 N -1.13 1.94 -0.01 3.20 0.00 -1.98 -2.17 119.26 119.10 1xe0 h ALA 53 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1xe0 h ALA 53 Cb 1.31 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1xe0 h ALA 53 CO 0.64 -0.15 -0.24 -1.13 0.00 0.00 0.00 179.25 178.36 1xe0 n SER 54 N -4.51 1.42 -4.63 0.00 3.41 -1.26 -4.95 113.62 103.09 1xe0 n SER 54 Ca 0.15 -1.18 -0.45 0.00 -0.26 0.00 0.00 58.87 57.13 1xe0 n SER 54 Cb 0.46 0.17 -0.02 0.00 -0.26 0.00 0.00 64.21 64.57 1xe0 n SER 54 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xe0 n ALA 55 N -0.27 0.32 -1.58 7.33 0.00 -0.82 -4.78 120.51 120.71 1xe0 n ALA 55 Ca 0.13 0.40 -0.31 0.00 0.00 0.00 0.00 53.44 53.66 1xe0 n ALA 55 Cb 0.39 -2.13 0.05 0.00 0.00 0.00 0.00 19.45 17.75 1xe0 n ALA 55 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1xe0 s LYS 56 N -1.10 2.97 -1.22 0.00 1.02 -1.26 -4.94 119.74 115.21 1xe0 s LYS 56 Ca 0.63 0.95 -0.14 0.00 0.02 0.00 0.00 55.97 57.43 1xe0 s LYS 56 Cb -0.69 -1.99 0.15 0.00 -0.52 0.00 0.00 37.83 34.78 1xe0 s LYS 56 CO 0.56 -1.08 1.49 0.34 -0.92 0.00 0.00 175.35 175.74 1xe0 s ASP 57 N -3.81 7.04 0.14 2.83 3.68 -1.26 -4.63 116.67 120.66 1xe0 s ASP 57 Ca 0.58 -2.91 -0.10 0.00 2.13 0.00 0.00 52.55 52.25 1xe0 s ASP 57 Cb -0.14 -2.43 0.00 0.00 -1.45 0.00 0.00 42.92 38.90 1xe0 s ASP 57 CO 0.55 -0.82 0.28 -1.83 0.13 0.00 0.00 175.17 173.48 1xe0 s GLU 58 N 2.01 1.05 0.27 4.34 -1.05 -1.26 -4.98 118.70 119.09 1xe0 s GLU 58 Ca 0.45 -1.03 -0.30 0.00 -0.15 0.00 0.00 54.97 53.93 1xe0 s GLU 58 Cb -0.02 0.38 -0.12 0.00 -0.44 0.00 0.00 34.13 33.93 1xe0 s GLU 58 CO 0.01 -0.38 1.52 -0.11 0.95 0.00 0.00 175.26 177.26 1xe0 n LEU 59 N -0.17 3.88 -4.32 1.83 7.94 -1.26 -4.48 117.00 120.41 1xe0 n LEU 59 Ca -0.11 1.15 -0.32 0.00 -1.11 0.00 0.00 56.01 55.61 1xe0 n LEU 59 Cb 0.63 -1.53 -0.15 0.00 0.53 0.00 0.00 43.42 42.89 1xe0 n LEU 59 CO 0.22 -0.10 -0.51 -1.00 -1.11 0.00 0.00 177.39 174.89 1xe0 s HIS 60 N -0.04 2.60 -0.08 1.96 3.76 0.19 -3.60 115.29 120.07 1xe0 s HIS 60 Ca 0.65 -0.65 0.01 0.00 -0.15 0.00 0.00 55.06 54.93 1xe0 s HIS 60 Cb -0.55 -1.68 0.02 0.00 1.11 0.00 0.00 32.58 31.47 1xe0 s HIS 60 CO 0.49 -0.17 -0.11 0.08 -0.85 0.00 0.00 174.74 174.18 1xe0 s VAL 61 N -0.06 1.14 -0.12 -0.90 1.01 -0.72 -0.37 120.40 120.37 1xe0 s VAL 61 Ca -0.05 -0.44 -0.02 0.00 0.00 0.00 0.00 61.98 61.47 1xe0 s VAL 61 Cb -0.14 -1.07 -0.03 0.00 0.00 0.00 0.00 36.38 35.14 1xe0 s VAL 61 CO 0.04 0.37 -0.07 -0.69 0.00 0.00 0.00 175.10 174.75 1xe0 s VAL 62 N 0.98 3.66 0.13 2.92 1.01 -0.50 0.04 120.40 128.65 1xe0 s VAL 62 Ca -0.08 -0.46 0.11 0.00 0.00 0.00 0.00 61.98 61.55 1xe0 s VAL 62 Cb -0.15 -2.56 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 1xe0 s VAL 62 CO -0.00 0.53 -0.27 -1.83 0.00 0.00 0.00 175.10 173.53 1xe0 s GLU 63 N 0.00 1.40 -0.01 2.72 -1.05 -0.04 -0.98 118.70 120.74 1xe0 s GLU 63 Ca -0.01 -1.35 0.04 0.00 -0.15 0.00 0.00 54.97 53.50 1xe0 s GLU 63 Cb -0.14 -1.88 -0.03 0.00 -0.44 0.00 0.00 34.13 31.64 1xe0 s GLU 63 CO 0.03 0.44 -0.11 0.00 0.95 0.00 0.00 175.26 176.58 1xe0 s ALA 64 N -1.10 2.84 -0.13 -0.84 0.00 -0.10 -1.19 121.76 121.24 1xe0 s ALA 64 Ca 0.14 -1.03 0.01 0.00 0.00 0.00 0.00 51.96 51.08 1xe0 s ALA 64 Cb -0.10 -1.02 0.02 0.00 0.00 0.00 0.00 23.12 22.02 1xe0 s ALA 64 CO 0.06 0.59 -0.14 -2.00 0.00 0.00 0.00 175.76 174.27 1xe0 s GLU 65 N -1.20 2.21 0.02 0.00 2.12 0.18 -0.92 118.70 121.11 1xe0 s GLU 65 Ca 0.15 -0.54 -0.02 0.00 0.36 0.00 0.00 54.97 54.93 1xe0 s GLU 65 Cb -0.11 -1.98 0.01 0.00 0.26 0.00 0.00 34.13 32.31 1xe0 s GLU 65 CO 0.05 -0.16 0.07 0.41 -0.54 0.00 0.00 175.26 175.09 1xe0 n GLY 66 N 4.54 1.45 3.74 -1.50 0.00 -0.72 -1.58 105.19 111.13 1xe0 n GLY 66 Ca -0.17 -0.96 -0.39 0.00 0.00 0.00 0.00 46.02 44.49 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 -2.65 4.89 0.87 -0.61 -1.09 -1.26 -0.69 121.20 120.66 1xe0 s ILE 67 Ca 0.02 1.42 -0.09 0.00 -2.23 0.00 0.00 60.65 59.77 1xe0 s ILE 67 Cb -0.00 -4.02 0.18 0.00 -1.58 0.00 0.00 42.46 37.04 1xe0 s ILE 67 CO 0.01 0.35 1.19 0.54 -1.23 0.00 0.00 174.94 175.80 1xe0 s ASN 68 N 0.14 3.53 0.57 3.58 2.20 0.31 -4.91 114.94 120.35 1xe0 s ASN 68 Ca 0.35 -0.12 0.34 0.00 -0.94 0.00 0.00 52.86 52.49 1xe0 s ASN 68 Cb -0.19 -0.01 1.70 0.00 -2.00 0.00 0.00 41.25 40.75 1xe0 s ASN 68 CO 0.19 -2.43 2.13 0.22 -2.94 0.00 0.00 177.10 174.27 1xe0 h TYR 69 N -1.19 0.00 -0.53 1.54 3.20 -1.98 -0.03 116.97 117.99 1xe0 h TYR 69 Ca -0.40 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.47 1xe0 h TYR 69 Cb 1.24 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.51 1xe0 h TYR 69 CO -0.85 0.05 0.00 0.39 -1.64 0.00 0.00 178.16 176.11 1xe0 n GLU 70 N -3.33 2.28 -1.06 1.82 4.71 -1.26 -4.94 120.64 118.86 1xe0 n GLU 70 Ca -0.01 -1.91 -0.02 0.00 -0.01 0.00 0.00 57.16 55.20 1xe0 n GLU 70 Cb 0.21 -1.43 -0.01 0.00 -1.01 0.00 0.00 31.44 29.20 1xe0 n GLU 70 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1xe0 n GLY 71 N 1.31 0.55 3.88 0.62 0.00 -0.02 -5.03 105.19 106.49 1xe0 n GLY 71 Ca 0.18 -0.51 -0.36 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.43 3.45 -0.04 1.61 -0.14 -1.26 -4.84 119.74 117.10 1xe0 s LYS 72 Ca 0.00 -0.16 -0.30 0.00 -1.36 0.00 0.00 55.97 54.15 1xe0 s LYS 72 Cb 0.00 -3.17 -0.03 0.00 -1.68 0.00 0.00 37.83 32.95 1xe0 s LYS 72 CO 0.00 0.76 1.05 -0.08 -0.76 0.00 0.00 175.35 176.32 1xe0 s THR 73 N -1.10 4.64 0.16 2.17 -1.32 -1.26 -0.53 115.64 118.39 1xe0 s THR 73 Ca 0.18 1.90 0.09 0.00 -1.21 0.00 0.00 61.69 62.65 1xe0 s THR 73 Cb -0.12 -4.22 -0.04 0.00 -1.51 0.00 0.00 72.50 66.61 1xe0 s THR 73 CO 0.07 0.08 -0.19 0.27 -2.21 0.00 0.00 174.62 172.64 1xe0 s ILE 74 N 1.54 1.82 -0.13 5.08 -4.36 0.13 -4.91 121.20 120.37 1xe0 s ILE 74 Ca 0.52 -1.89 -0.03 0.00 -0.26 0.00 0.00 60.65 58.99 1xe0 s ILE 74 Cb -0.22 -1.83 -0.03 0.00 1.25 0.00 0.00 42.46 41.63 1xe0 s ILE 74 CO 0.24 -0.29 -0.02 -0.54 0.24 0.00 0.00 174.94 174.56 1xe0 s LYS 75 N -2.73 3.42 -0.01 0.37 1.02 -1.26 -1.75 119.74 118.79 1xe0 s LYS 75 Ca 0.15 -0.47 0.02 0.00 0.02 0.00 0.00 55.97 55.69 1xe0 s LYS 75 Cb -0.06 -2.88 -0.00 0.00 -0.52 0.00 0.00 37.83 34.37 1xe0 s LYS 75 CO 0.06 0.42 -0.08 0.96 -0.92 0.00 0.00 175.35 175.79 1xe0 s ILE 76 N -0.11 0.68 -0.04 2.17 -4.36 -0.10 -4.97 121.20 114.47 1xe0 s ILE 76 Ca 0.03 -0.33 -0.28 0.00 -0.26 0.00 0.00 60.65 59.81 1xe0 s ILE 76 Cb -0.13 -0.59 -0.03 0.00 1.25 0.00 0.00 42.46 42.96 1xe0 s ILE 76 CO 0.02 0.20 0.89 0.00 0.24 0.00 0.00 174.94 176.30 1xe0 s ALA 77 N 0.01 3.25 -0.18 2.27 0.00 -1.26 -0.93 121.76 124.92 1xe0 s ALA 77 Ca 0.00 0.39 -0.11 0.00 0.00 0.00 0.00 51.96 52.24 1xe0 s ALA 77 Cb -0.06 -3.23 -0.22 0.00 0.00 0.00 0.00 23.12 19.61 1xe0 s ALA 77 CO -0.00 -0.24 0.19 1.28 0.00 0.00 0.00 175.76 176.99 1xe0 n LEU 78 N 4.01 2.40 -3.60 0.00 4.77 -0.15 -4.94 117.00 119.50 1xe0 n LEU 78 Ca 0.04 0.24 -0.15 0.00 -0.03 0.00 0.00 56.01 56.11 1xe0 n LEU 78 Cb 0.51 -1.03 -0.06 0.00 -2.33 0.00 0.00 43.42 40.51 1xe0 n LEU 78 CO 0.50 0.67 0.28 0.00 -1.33 0.00 0.00 177.39 177.52 1xe0 s ALA 79 N -2.49 -1.38 -0.13 -1.18 0.00 -1.16 -5.03 121.76 110.39 1xe0 s ALA 79 Ca -0.27 0.83 0.01 0.00 0.00 0.00 0.00 51.96 52.53 1xe0 s ALA 79 Cb 0.07 0.16 0.02 0.00 0.00 0.00 0.00 23.12 23.37 1xe0 s ALA 79 CO 0.67 -0.39 -0.16 -1.12 0.00 0.00 0.00 175.76 174.76 1xe0 s SER 80 N -1.51 2.63 0.16 0.00 0.01 -1.26 -1.40 113.70 112.32 1xe0 s SER 80 Ca -0.10 -0.47 0.06 0.00 1.31 0.00 0.00 55.95 56.75 1xe0 s SER 80 Cb -0.01 -1.17 -0.04 0.00 0.21 0.00 0.00 66.02 65.00 1xe0 s SER 80 CO 0.04 -0.01 -0.13 -0.76 0.41 0.00 0.00 173.24 172.80 1xe0 s LEU 81 N 1.19 2.49 -0.22 2.44 1.43 0.50 -4.93 118.68 121.59 1xe0 s LEU 81 Ca -0.01 -0.94 -0.13 0.00 -1.03 0.00 0.00 54.13 52.01 1xe0 s LEU 81 Cb -0.14 -0.52 0.07 0.00 0.03 0.00 0.00 46.19 45.63 1xe0 s LEU 81 CO -0.06 -0.22 0.54 -0.75 0.23 0.00 0.00 176.35 176.10 1xe0 s LYS 82 N -3.34 0.56 0.43 1.70 2.20 -0.86 -0.64 119.74 119.79 1xe0 s LYS 82 Ca 0.16 0.96 0.10 0.00 -0.36 0.00 0.00 55.97 56.82 1xe0 s LYS 82 Cb -0.01 0.09 0.95 0.00 -1.51 0.00 0.00 37.83 37.36 1xe0 s LYS 82 CO 0.03 -0.14 2.06 -1.35 -0.36 0.00 0.00 175.35 175.59 1xe0 h PRO 83 N 6.78 0.35 -0.20 4.03 0.11 -1.82 0.18 132.00 141.43 1xe0 h PRO 83 Ca -0.33 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1xe0 h PRO 83 Cb 1.20 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1xe0 h PRO 83 CO 0.22 0.27 0.00 -1.13 -0.21 0.00 0.00 178.00 177.15 1xe0 n SER 84 N -4.46 2.29 0.00 -2.05 3.41 -1.26 -4.39 113.62 107.15 1xe0 n SER 84 Ca 0.01 -1.80 0.00 0.00 -0.26 0.00 0.00 58.87 56.82 1xe0 n SER 84 Cb 0.10 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 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 0.74 0.00 -2.95 -3.33 0.31 -0.84 -5.03 118.33 107.23 1xe0 n VAL 85 Ca 0.17 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.45 1xe0 n VAL 85 Cb 0.44 -1.01 -0.01 0.00 -0.91 0.00 0.00 33.84 32.35 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 -1.94 0.98 0.45 5.55 0.74 0.56 -4.97 119.66 121.03 1xe0 s GLN 86 Ca 0.00 -0.92 0.24 0.00 0.05 0.00 0.00 55.36 54.73 1xe0 s GLN 86 Cb 0.00 -0.14 0.95 0.00 1.10 0.00 0.00 33.01 34.92 1xe0 s GLN 86 CO 0.00 -1.29 1.84 -1.00 -0.55 0.00 0.00 175.29 174.29 1xe0 h PRO 87 N 5.66 0.00 -4.50 1.67 0.13 -1.75 -2.29 132.00 130.92 1xe0 h PRO 87 Ca 0.07 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.86 1xe0 h PRO 87 Cb 1.11 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 31.97 1xe0 h PRO 87 CO 0.07 0.21 -0.76 0.99 -0.23 0.00 0.00 178.00 178.28 1xe0 s THR 88 N -3.67 0.54 -0.08 1.56 2.01 -1.26 -0.73 115.64 114.00 1xe0 s THR 88 Ca 0.00 -0.43 0.02 0.00 0.31 0.00 0.00 61.69 61.59 1xe0 s THR 88 Cb 0.10 -0.48 0.01 0.00 0.01 0.00 0.00 72.50 72.14 1xe0 s THR 88 CO 0.63 0.05 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.77 1xe0 s VAL 89 N -0.38 1.41 -0.14 3.82 1.01 -0.47 -5.00 120.40 120.65 1xe0 s VAL 89 Ca 0.00 -0.62 -0.20 0.00 0.00 0.00 0.00 61.98 61.16 1xe0 s VAL 89 Cb -0.04 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 1xe0 s VAL 89 CO -0.00 0.42 0.56 -0.55 0.00 0.00 0.00 175.10 175.52 1xe0 s SER 90 N 0.70 6.71 0.01 3.32 0.15 -1.26 -1.46 113.70 121.86 1xe0 s SER 90 Ca -0.13 0.86 0.23 0.00 0.70 0.00 0.00 55.95 57.61 1xe0 s SER 90 Cb -0.16 -2.32 0.18 0.00 -1.71 0.00 0.00 66.02 62.01 1xe0 s SER 90 CO 0.03 -0.11 1.18 0.18 1.20 0.00 0.00 173.24 175.72 1xe0 n LEU 91 N 4.21 0.68 -0.88 3.45 4.77 0.17 -4.98 117.00 124.42 1xe0 n LEU 91 Ca -0.04 -0.17 -0.09 0.00 -0.03 0.00 0.00 56.01 55.68 1xe0 n LEU 91 Cb 0.51 -0.14 -0.02 0.00 -2.33 0.00 0.00 43.42 41.44 1xe0 n LEU 91 CO 0.44 0.15 -0.10 0.61 -1.33 0.00 0.00 177.39 177.16 1xe0 n GLY 92 N 1.48 0.39 0.76 -0.72 0.00 -1.19 -4.00 105.19 101.91 1xe0 n GLY 92 Ca 0.04 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.34 0.83 3.56 -0.02 0.00 -0.50 -5.02 105.19 102.71 1xe0 n GLY 93 Ca -0.10 -0.48 -0.41 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.46 2.41 0.02 1.61 5.99 -0.84 -4.75 117.98 119.97 1xe0 s PHE 94 Ca 0.00 0.14 -0.27 0.00 0.00 0.00 0.00 56.93 56.80 1xe0 s PHE 94 Cb 0.00 -4.58 -0.05 0.00 0.00 0.00 0.00 43.02 38.39 1xe0 s PHE 94 CO 0.00 -1.89 0.84 -1.21 -0.00 0.00 0.00 175.22 172.96 1xe0 s GLU 95 N 5.44 4.54 -0.05 10.12 2.02 -1.26 -0.74 118.70 138.76 1xe0 s GLU 95 Ca 0.38 1.18 0.03 0.00 0.02 0.00 0.00 54.97 56.59 1xe0 s GLU 95 Cb -0.08 -3.41 0.00 0.00 0.10 0.00 0.00 34.13 30.75 1xe0 s GLU 95 CO 0.19 0.14 -0.15 0.42 0.02 0.00 0.00 175.26 175.89 1xe0 s ILE 96 N 0.39 1.27 0.03 -1.63 1.01 0.61 -4.94 121.20 117.94 1xe0 s ILE 96 Ca 0.43 -0.61 -0.30 0.00 0.00 0.00 0.00 60.65 60.17 1xe0 s ILE 96 Cb -0.21 -1.11 -0.05 0.00 0.01 0.00 0.00 42.46 41.10 1xe0 s ILE 96 CO 0.24 0.38 1.16 -0.89 0.00 0.00 0.00 174.94 175.83 1xe0 s THR 97 N 0.24 4.23 0.77 2.92 2.01 -1.26 -0.66 115.64 123.89 1xe0 s THR 97 Ca -0.07 1.59 -0.13 0.00 0.31 0.00 0.00 61.69 63.39 1xe0 s THR 97 Cb -0.12 -4.02 0.06 0.00 0.01 0.00 0.00 72.50 68.43 1xe0 s THR 97 CO 0.03 0.10 1.18 -2.16 -0.69 0.00 0.00 174.62 173.08 1xe0 s PRO 98 N 1.23 1.92 0.31 4.92 0.04 -1.26 -4.46 135.00 137.69 1xe0 s PRO 98 Ca 0.57 1.64 -0.17 0.00 0.04 0.00 0.00 61.00 63.08 1xe0 s PRO 98 Cb -0.27 -1.82 -0.09 0.00 0.04 0.00 0.00 34.50 32.36 1xe0 s PRO 98 CO 0.28 -1.98 0.76 -1.25 0.04 0.00 0.00 177.00 174.85 1xe0 s PRO 99 N -4.18 4.09 -0.05 0.56 0.04 -1.26 -4.99 135.00 129.21 1xe0 s PRO 99 Ca 0.71 0.76 -0.05 0.00 0.04 0.00 0.00 61.00 62.46 1xe0 s PRO 99 Cb -0.26 -2.51 0.01 0.00 0.04 0.00 0.00 34.50 31.78 1xe0 s PRO 99 CO 0.49 0.19 0.15 0.54 0.04 0.00 0.00 177.00 178.41 1xe0 s VAL 100 N -1.89 0.01 -0.16 -0.36 0.11 -0.60 -4.54 120.40 112.97 1xe0 s VAL 100 Ca 0.52 -0.10 -0.08 0.00 -2.93 0.00 0.00 61.98 59.39 1xe0 s VAL 100 Cb -0.12 -0.25 -0.04 0.00 -1.53 0.00 0.00 36.38 34.44 1xe0 s VAL 100 CO 0.18 -0.06 0.11 -0.63 -3.33 0.00 0.00 175.10 171.37 1xe0 s ILE 101 N -0.13 5.23 -0.11 7.04 1.01 -0.61 -0.84 121.20 132.77 1xe0 s ILE 101 Ca -0.02 0.11 -0.05 0.00 0.00 0.00 0.00 60.65 60.70 1xe0 s ILE 101 Cb -0.02 -3.33 -0.04 0.00 0.01 0.00 0.00 42.46 39.08 1xe0 s ILE 101 CO 0.00 0.52 0.07 -0.76 0.00 0.00 0.00 174.94 174.77 1xe0 s LEU 102 N -0.20 3.98 -0.06 2.97 1.43 0.95 -0.64 118.68 127.11 1xe0 s LEU 102 Ca 0.10 0.29 -0.04 0.00 -1.03 0.00 0.00 54.13 53.44 1xe0 s LEU 102 Cb -0.12 -1.95 0.02 0.00 0.03 0.00 0.00 46.19 44.18 1xe0 s LEU 102 CO 0.01 0.37 0.15 -0.60 0.23 0.00 0.00 176.35 176.51 1xe0 s ARG 103 N -0.83 0.15 -0.71 1.70 3.52 -0.34 -0.82 118.95 121.63 1xe0 s ARG 103 Ca 0.13 0.27 -0.27 0.00 -0.13 0.00 0.00 55.73 55.73 1xe0 s ARG 103 Cb -0.12 -0.00 0.01 0.00 -1.56 0.00 0.00 34.95 33.28 1xe0 s ARG 103 CO 0.03 -0.07 1.50 -1.17 -0.81 0.00 0.00 175.30 174.78 1xe0 s LEU 104 N 0.45 3.22 0.14 -0.88 2.96 0.38 -0.86 118.68 124.09 1xe0 s LEU 104 Ca -0.03 -0.22 0.27 0.00 -0.22 0.00 0.00 54.13 53.93 1xe0 s LEU 104 Cb -0.04 -2.55 0.92 0.00 0.50 0.00 0.00 46.19 45.02 1xe0 s LEU 104 CO -0.02 -2.04 1.80 1.17 -1.32 0.00 0.00 176.35 175.95 1xe0 n LYS 105 N 9.28 0.18 -3.59 1.98 4.81 0.11 -4.87 118.16 126.06 1xe0 n LYS 105 Ca 0.11 0.14 0.03 0.00 -0.87 0.00 0.00 58.31 57.73 1xe0 n LYS 105 Cb 0.50 -1.70 -0.00 0.00 0.02 0.00 0.00 35.03 33.85 1xe0 n LYS 105 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 1xe0 s SER 106 N -4.04 -0.02 0.00 3.14 1.04 -1.15 -4.92 113.70 107.75 1xe0 s SER 106 Ca 0.12 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.50 1xe0 s SER 106 Cb 0.14 0.05 0.00 0.00 0.10 0.00 0.00 66.02 66.31 1xe0 s SER 106 CO 0.58 -0.09 0.00 0.61 0.98 0.00 0.00 173.24 175.32 1xe0 n GLY 107 N -0.51 -1.11 0.11 7.32 0.00 -1.24 -1.76 105.19 108.00 1xe0 n GLY 107 Ca -0.09 -1.63 -0.17 0.00 0.00 0.00 0.00 46.02 44.13 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 0.46 -1.33 1.61 4.64 -1.92 -3.44 113.55 113.56 1xe0 h SER 108 Ca 0.00 -0.52 0.06 0.00 -0.47 0.00 0.00 61.79 60.86 1xe0 h SER 108 Cb 0.00 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 61.93 1xe0 h SER 108 CO 0.00 1.41 -0.08 0.61 -0.87 0.00 0.00 176.83 177.90 1xe0 n GLY 109 N 1.58 -1.06 3.77 -0.77 0.00 -1.26 -1.95 105.19 105.51 1xe0 n GLY 109 Ca -0.11 -1.00 -0.41 0.00 0.00 0.00 0.00 46.02 44.50 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 -0.34 4.18 0.04 1.61 0.04 -1.26 -3.93 135.00 135.34 1xe0 s PRO 110 Ca 0.00 2.37 0.09 0.00 0.04 0.00 0.00 61.00 63.49 1xe0 s PRO 110 Cb 0.00 -2.97 -0.03 0.00 0.04 0.00 0.00 34.50 31.54 1xe0 s PRO 110 CO 0.00 -0.39 -0.24 0.08 0.04 0.00 0.00 177.00 176.48 1xe0 s VAL 111 N -1.15 2.31 0.08 -0.36 1.01 0.15 -1.08 120.40 121.35 1xe0 s VAL 111 Ca 0.52 -1.34 0.10 0.00 0.00 0.00 0.00 61.98 61.25 1xe0 s VAL 111 Cb -0.43 -1.92 -0.03 0.00 0.00 0.00 0.00 36.38 34.00 1xe0 s VAL 111 CO 0.57 0.36 -0.26 -0.31 0.00 0.00 0.00 175.10 175.46 1xe0 s TYR 112 N -0.84 2.25 -0.04 5.22 1.51 0.19 -0.94 117.35 124.70 1xe0 s TYR 112 Ca 0.12 -0.40 0.06 0.00 -1.01 0.00 0.00 57.07 55.85 1xe0 s TYR 112 Cb -0.10 -1.30 -0.01 0.00 -0.11 0.00 0.00 41.96 40.44 1xe0 s TYR 112 CO 0.03 0.20 -0.23 0.08 -1.11 0.00 0.00 175.55 174.52 1xe0 s VAL 113 N -0.91 1.88 0.22 0.71 1.01 -0.12 -0.99 120.40 122.21 1xe0 s VAL 113 Ca 0.12 -0.98 0.11 0.00 0.00 0.00 0.00 61.98 61.23 1xe0 s VAL 113 Cb -0.10 -1.59 -0.05 0.00 0.00 0.00 0.00 36.38 34.65 1xe0 s VAL 113 CO 0.04 0.53 -0.19 -0.94 0.00 0.00 0.00 175.10 174.53 1xe0 s SER 114 N -0.23 3.67 0.00 3.32 1.04 0.13 -1.69 113.70 119.94 1xe0 s SER 114 Ca -0.00 -0.86 0.00 0.00 0.48 0.00 0.00 55.95 55.56 1xe0 s SER 114 Cb -0.12 -0.37 0.00 0.00 0.10 0.00 0.00 66.02 65.63 1xe0 s SER 114 CO 0.02 0.09 0.00 0.61 0.98 0.00 0.00 173.24 174.94 1xe0 n GLY 115 N -0.12 -0.69 3.10 7.32 0.00 -0.45 -0.36 105.19 113.99 1xe0 n GLY 115 Ca -0.09 -0.47 -0.20 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.50 0.91 -0.38 1.61 -0.21 0.18 -1.32 119.66 119.95 1xe0 s GLN 116 Ca 0.00 -0.58 -0.13 0.00 0.02 0.00 0.00 55.36 54.67 1xe0 s GLN 116 Cb 0.00 -0.89 0.01 0.00 1.00 0.00 0.00 33.01 33.13 1xe0 s GLN 116 CO 0.00 0.23 0.25 -1.58 -2.12 0.00 0.00 175.29 172.07 1xe0 s HIS 117 N -0.58 3.23 -0.03 0.91 5.65 0.37 -0.88 115.29 123.96 1xe0 s HIS 117 Ca 0.02 -0.58 -0.10 0.00 0.25 0.00 0.00 55.06 54.66 1xe0 s HIS 117 Cb -0.06 -2.51 -0.05 0.00 -1.18 0.00 0.00 32.58 28.78 1xe0 s HIS 117 CO 0.00 -0.54 0.29 -0.51 -0.65 0.00 0.00 174.74 173.33 1xe0 s LEU 118 N 1.66 4.41 -0.02 8.88 1.43 -0.06 -1.50 118.68 133.47 1xe0 s LEU 118 Ca 0.05 0.68 0.01 0.00 -1.03 0.00 0.00 54.13 53.84 1xe0 s LEU 118 Cb -0.19 -2.50 0.02 0.00 0.03 0.00 0.00 46.19 43.55 1xe0 s LEU 118 CO 0.09 0.31 -0.03 -0.69 0.23 0.00 0.00 176.35 176.27 1xe0 s VAL 119 N -1.16 0.35 0.05 -1.59 1.01 -0.30 -1.55 120.40 117.20 1xe0 s VAL 119 Ca 0.23 -0.07 -0.02 0.00 0.00 0.00 0.00 61.98 62.12 1xe0 s VAL 119 Cb -0.14 -0.37 -0.03 0.00 0.00 0.00 0.00 36.38 35.84 1xe0 s VAL 119 CO 0.12 0.15 -0.00 0.00 0.00 0.00 0.00 175.10 175.37 1xe0 s ALA 120 N 0.60 0.41 0.00 5.51 0.00 0.02 -0.31 121.76 128.00 1xe0 s ALA 120 Ca -0.07 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 50.77 1xe0 s ALA 120 Cb -0.10 0.29 0.00 0.00 0.00 0.00 0.00 23.12 23.31 1xe0 s ALA 120 CO -0.01 -0.38 0.00 -0.11 0.00 0.00 0.00 175.76 175.26