#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 2.64 -0.09 -1.46 -0.21 -0.37 -4.99 119.66 115.19 1xe0 s GLN 16 Ca 0.00 -0.70 -0.00 0.00 0.02 0.00 0.00 55.36 54.68 1xe0 s GLN 16 Cb 0.00 -2.58 0.02 0.00 1.00 0.00 0.00 33.01 31.46 1xe0 s GLN 16 CO 0.00 0.60 -0.05 1.21 -2.12 0.00 0.00 175.29 174.93 1xe0 s ASN 17 N -1.65 1.78 0.18 5.90 2.47 -1.26 -1.81 114.94 120.55 1xe0 s ASN 17 Ca 0.20 -0.21 0.10 0.00 0.42 0.00 0.00 52.86 53.38 1xe0 s ASN 17 Cb -0.11 -0.65 -0.04 0.00 -1.45 0.00 0.00 41.25 38.99 1xe0 s ASN 17 CO 0.11 -0.12 -0.19 -0.36 -3.72 0.00 0.00 177.10 172.81 1xe0 s PHE 18 N 1.60 2.42 0.53 0.43 0.40 -0.08 -4.98 117.98 118.30 1xe0 s PHE 18 Ca 0.01 -0.31 -0.20 0.00 -0.60 0.00 0.00 56.93 55.83 1xe0 s PHE 18 Cb -0.13 -1.20 -0.06 0.00 0.51 0.00 0.00 43.02 42.14 1xe0 s PHE 18 CO -0.05 0.49 1.13 -0.51 0.70 0.00 0.00 175.22 176.98 1xe0 s LEU 19 N -2.66 3.77 -0.01 -0.37 1.43 -1.26 -0.68 118.68 118.91 1xe0 s LEU 19 Ca 0.22 2.17 0.04 0.00 -1.03 0.00 0.00 54.13 55.53 1xe0 s LEU 19 Cb -0.08 -4.56 -0.01 0.00 0.03 0.00 0.00 46.19 41.57 1xe0 s LEU 19 CO 0.11 -1.17 -0.13 0.12 0.23 0.00 0.00 176.35 175.51 1xe0 s PHE 20 N -1.76 1.18 0.15 0.29 5.36 -0.04 -4.52 117.98 118.63 1xe0 s PHE 20 Ca 0.72 -0.23 -0.20 0.00 -0.96 0.00 0.00 56.93 56.26 1xe0 s PHE 20 Cb -0.24 -0.75 0.05 0.00 -0.34 0.00 0.00 43.02 41.74 1xe0 s PHE 20 CO 0.27 -0.01 0.51 0.20 -1.46 0.00 0.00 175.22 174.73 1xe0 s GLY 21 N -0.39 -0.44 0.10 13.12 0.00 -1.26 -1.09 107.32 117.36 1xe0 s GLY 21 Ca 0.05 0.21 -0.19 0.00 0.00 0.00 0.00 44.72 44.79 1xe0 s GLY 21 CO -0.00 -0.06 0.47 0.00 0.00 0.00 0.00 173.10 173.50 1xe0 s GLU 23 N -3.34 3.11 -0.16 0.00 2.12 -1.26 -1.43 118.70 117.74 1xe0 s GLU 23 Ca -0.00 -0.84 -0.01 0.00 0.36 0.00 0.00 54.97 54.48 1xe0 s GLU 23 Cb 0.00 -2.40 -0.01 0.00 0.26 0.00 0.00 34.13 31.99 1xe0 s GLU 23 CO -0.09 0.14 -0.12 -0.51 -0.54 0.00 0.00 175.26 174.15 1xe0 s LEU 24 N 0.45 2.68 0.32 2.70 1.43 0.42 -4.92 118.68 121.77 1xe0 s LEU 24 Ca -0.15 -0.39 -0.03 0.00 -1.03 0.00 0.00 54.13 52.52 1xe0 s LEU 24 Cb -0.17 -1.63 -0.00 0.00 0.03 0.00 0.00 46.19 44.42 1xe0 s LEU 24 CO 0.06 0.09 0.45 -1.59 0.23 0.00 0.00 176.35 175.60 1xe0 s LYS 25 N 0.80 1.83 0.27 1.70 -2.85 -0.33 -0.69 119.74 120.48 1xe0 s LYS 25 Ca -0.04 -1.70 -0.00 0.00 -1.00 0.00 0.00 55.97 53.23 1xe0 s LYS 25 Cb -0.15 0.44 0.49 0.00 -2.06 0.00 0.00 37.83 36.54 1xe0 s LYS 25 CO 0.01 -0.75 1.85 0.00 0.10 0.00 0.00 175.35 176.56 1xe0 h ALA 26 N 2.15 1.46 -0.01 0.59 0.00 -1.86 0.20 119.26 121.78 1xe0 h ALA 26 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1xe0 h ALA 26 Cb 1.24 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1xe0 h ALA 26 CO 0.39 0.32 -0.20 -0.40 0.00 0.00 0.00 179.25 179.36 1xe0 n ASP 27 N -4.57 1.13 -3.13 0.00 5.68 -1.26 -4.46 116.55 109.94 1xe0 n ASP 27 Ca 0.17 -1.02 -0.18 0.00 -0.50 0.00 0.00 54.79 53.26 1xe0 n ASP 27 Cb 0.28 0.10 -0.05 0.00 -1.14 0.00 0.00 41.12 40.31 1xe0 n ASP 27 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 1xe0 n LYS 28 N -0.46 0.38 0.03 0.11 4.81 0.02 -4.99 118.16 118.05 1xe0 n LYS 28 Ca 0.14 -2.72 0.13 0.00 -0.87 0.00 0.00 58.31 54.99 1xe0 n LYS 28 Cb 0.35 -1.55 0.41 0.00 0.02 0.00 0.00 35.03 34.25 1xe0 n LYS 28 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1xe0 n LYS 29 N 2.69 0.11 -4.36 1.64 5.02 -0.95 -1.19 118.16 121.11 1xe0 n LYS 29 Ca 0.24 0.06 -0.27 0.00 -2.02 0.00 0.00 58.31 56.32 1xe0 n LYS 29 Cb 0.52 -1.60 -0.13 0.00 -0.02 0.00 0.00 35.03 33.81 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 -3.05 1.34 -0.07 1.97 2.02 -1.26 -0.69 118.70 118.95 1xe0 s GLU 30 Ca 0.11 -1.31 0.00 0.00 0.02 0.00 0.00 54.97 53.79 1xe0 s GLU 30 Cb 0.16 -1.76 0.02 0.00 0.10 0.00 0.00 34.13 32.66 1xe0 s GLU 30 CO 0.62 0.41 -0.06 -0.47 0.02 0.00 0.00 175.26 175.78 1xe0 s TYR 31 N -1.14 1.07 -0.47 1.61 5.04 0.10 -5.00 117.35 118.57 1xe0 s TYR 31 Ca 0.13 -0.41 -0.17 0.00 -2.44 0.00 0.00 57.07 54.18 1xe0 s TYR 31 Cb -0.10 -0.93 0.06 0.00 0.35 0.00 0.00 41.96 41.34 1xe0 s TYR 31 CO 0.06 -0.32 0.45 0.45 -1.34 0.00 0.00 175.55 174.85 1xe0 s SER 32 N 1.29 6.17 -0.59 4.32 0.15 -1.26 -0.92 113.70 122.86 1xe0 s SER 32 Ca -0.04 -1.11 -0.22 0.00 0.70 0.00 0.00 55.95 55.28 1xe0 s SER 32 Cb -0.14 -2.21 0.06 0.00 -1.71 0.00 0.00 66.02 62.02 1xe0 s SER 32 CO -0.02 -0.69 0.86 0.12 1.20 0.00 0.00 173.24 174.71 1xe0 s PHE 33 N 1.96 2.82 0.02 3.44 5.36 0.11 -5.00 117.98 126.70 1xe0 s PHE 33 Ca 0.08 -0.44 0.01 0.00 -0.96 0.00 0.00 56.93 55.62 1xe0 s PHE 33 Cb -0.22 -4.04 -0.02 0.00 -0.34 0.00 0.00 43.02 38.40 1xe0 s PHE 33 CO 0.09 -1.40 -0.05 -1.59 -1.46 0.00 0.00 175.22 170.82 1xe0 s LYS 34 N 3.58 0.37 0.08 10.12 -2.85 -1.26 -1.06 119.74 128.72 1xe0 s LYS 34 Ca 0.22 -0.58 -0.07 0.00 -1.00 0.00 0.00 55.97 54.54 1xe0 s LYS 34 Cb -0.17 -0.07 -0.01 0.00 -2.06 0.00 0.00 37.83 35.52 1xe0 s LYS 34 CO 0.13 -0.00 0.15 0.54 0.10 0.00 0.00 175.35 176.26 1xe0 s VAL 35 N -1.22 0.15 -0.01 1.79 0.11 -1.26 -5.08 120.40 114.89 1xe0 s VAL 35 Ca -0.11 -1.32 -0.29 0.00 -2.93 0.00 0.00 61.98 57.32 1xe0 s VAL 35 Cb -0.09 -1.40 0.10 0.00 -1.53 0.00 0.00 36.38 33.46 1xe0 s VAL 35 CO -0.00 -0.70 0.97 -1.83 -3.33 0.00 0.00 175.10 170.20 1xe0 s GLU 36 N -3.88 0.79 -1.30 1.54 -1.05 -1.26 -4.91 118.70 108.63 1xe0 s GLU 36 Ca 0.06 -0.33 -0.01 0.00 -0.15 0.00 0.00 54.97 54.54 1xe0 s GLU 36 Cb 0.05 0.33 0.01 0.00 -0.44 0.00 0.00 34.13 34.08 1xe0 s GLU 36 CO -0.10 -0.35 0.08 -0.25 0.95 0.00 0.00 175.26 175.59 1xe0 n ASP 37 N -0.28 -4.58 -4.88 0.83 8.00 -1.26 -4.93 116.55 109.46 1xe0 n ASP 37 Ca -0.07 0.06 -0.35 0.00 0.71 0.00 0.00 54.79 55.14 1xe0 n ASP 37 Cb 0.61 -3.84 -0.06 0.00 -0.02 0.00 0.00 41.12 37.81 1xe0 n ASP 37 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1xe0 s ASP 38 N -2.13 6.50 -0.74 -2.24 1.11 -1.26 -5.01 116.67 112.90 1xe0 s ASP 38 Ca 0.05 0.58 -0.02 0.00 0.18 0.00 0.00 52.55 53.34 1xe0 s ASP 38 Cb -0.03 -2.10 0.41 0.00 1.07 0.00 0.00 42.92 42.27 1xe0 s ASP 38 CO 0.06 0.30 2.02 -0.62 1.18 0.00 0.00 175.17 178.11 1xe0 n GLU 39 N 1.39 2.73 -3.63 8.23 4.71 -1.26 -4.93 120.64 127.88 1xe0 n GLU 39 Ca -0.14 -3.40 -0.10 0.00 -0.01 0.00 0.00 57.16 53.51 1xe0 n GLU 39 Cb 0.53 -2.28 -0.07 0.00 -1.01 0.00 0.00 31.44 28.61 1xe0 n GLU 39 CO 0.00 0.00 0.00 -0.80 0.09 0.00 0.00 177.13 176.42 1xe0 s ASN 40 N -1.54 -0.51 -0.10 1.62 0.01 -1.26 -5.16 114.94 108.00 1xe0 s ASN 40 Ca 0.59 0.96 -0.14 0.00 -0.71 0.00 0.00 52.86 53.57 1xe0 s ASN 40 Cb 0.48 0.97 -0.05 0.00 0.41 0.00 0.00 41.25 43.06 1xe0 s ASN 40 CO -0.18 -0.18 0.33 -1.61 -1.51 0.00 0.00 177.10 173.95 1xe0 s GLU 41 N 0.20 4.05 -0.07 -0.60 2.02 -1.26 -5.07 118.70 117.96 1xe0 s GLU 41 Ca 0.02 0.21 0.05 0.00 0.02 0.00 0.00 54.97 55.28 1xe0 s GLU 41 Cb -0.05 -3.33 -0.01 0.00 0.10 0.00 0.00 34.13 30.84 1xe0 s GLU 41 CO -0.04 0.45 -0.23 -1.01 0.02 0.00 0.00 175.26 174.45 1xe0 s HIS 42 N -0.22 2.51 0.08 1.61 3.76 -1.26 -4.17 115.29 117.60 1xe0 s HIS 42 Ca 0.20 -0.68 0.04 0.00 -0.15 0.00 0.00 55.06 54.46 1xe0 s HIS 42 Cb -0.14 -1.63 -0.03 0.00 1.11 0.00 0.00 32.58 31.88 1xe0 s HIS 42 CO 0.08 -0.19 -0.10 -0.65 -0.85 0.00 0.00 174.74 173.02 1xe0 s GLN 43 N -0.14 0.78 -0.09 1.40 -0.21 -0.73 -4.39 119.66 116.28 1xe0 s GLN 43 Ca -0.04 -1.05 -0.02 0.00 0.02 0.00 0.00 55.36 54.27 1xe0 s GLN 43 Cb -0.14 -0.52 -0.03 0.00 1.00 0.00 0.00 33.01 33.32 1xe0 s GLN 43 CO 0.04 0.09 -0.00 -0.51 -2.12 0.00 0.00 175.29 172.78 1xe0 s LEU 44 N -2.18 3.55 -0.23 2.90 1.02 -0.63 -1.02 118.68 122.09 1xe0 s LEU 44 Ca 0.01 0.13 0.02 0.00 0.02 0.00 0.00 54.13 54.31 1xe0 s LEU 44 Cb -0.05 -1.81 0.05 0.00 0.02 0.00 0.00 46.19 44.40 1xe0 s LEU 44 CO 0.00 0.37 -0.12 -0.55 0.02 0.00 0.00 176.35 176.08 1xe0 s SER 45 N -0.86 3.90 0.13 2.29 0.15 -0.31 -0.72 113.70 118.27 1xe0 s SER 45 Ca 0.13 -1.12 -0.26 0.00 0.70 0.00 0.00 55.95 55.40 1xe0 s SER 45 Cb -0.11 -1.42 -0.07 0.00 -1.71 0.00 0.00 66.02 62.71 1xe0 s SER 45 CO 0.02 -0.15 0.79 -0.76 1.20 0.00 0.00 173.24 174.34 1xe0 s LEU 46 N 1.24 4.54 -0.06 3.45 1.43 0.36 -1.16 118.68 128.49 1xe0 s LEU 46 Ca -0.04 1.61 -0.09 0.00 -1.03 0.00 0.00 54.13 54.57 1xe0 s LEU 46 Cb -0.18 -3.31 -0.03 0.00 0.03 0.00 0.00 46.19 42.70 1xe0 s LEU 46 CO -0.07 0.12 -0.19 0.54 0.23 0.00 0.00 176.35 176.98 1xe0 n ARG 47 N 2.08 0.29 -4.16 1.70 5.12 0.24 -1.35 116.66 120.58 1xe0 n ARG 47 Ca -0.04 0.11 -0.14 0.00 -1.93 0.00 0.00 57.85 55.85 1xe0 n ARG 47 Cb 0.49 -1.00 -0.11 0.00 -1.16 0.00 0.00 32.46 30.68 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 -2.47 0.88 -0.08 0.55 -4.23 -1.01 -0.43 115.64 108.84 1xe0 s THR 48 Ca -0.16 -1.54 0.04 0.00 -1.18 0.00 0.00 61.69 58.84 1xe0 s THR 48 Cb 0.03 -1.24 0.00 0.00 1.34 0.00 0.00 72.50 72.63 1xe0 s THR 48 CO 0.23 -0.52 -0.20 -0.69 -0.54 0.00 0.00 174.62 172.90 1xe0 s VAL 49 N -2.25 1.73 0.03 2.29 1.01 -0.15 -0.73 120.40 122.33 1xe0 s VAL 49 Ca 0.03 -0.83 -0.03 0.00 0.00 0.00 0.00 61.98 61.14 1xe0 s VAL 49 Cb -0.04 -1.51 -0.02 0.00 0.00 0.00 0.00 36.38 34.81 1xe0 s VAL 49 CO -0.00 0.49 0.04 -0.94 0.00 0.00 0.00 175.10 174.69 1xe0 s SER 50 N 0.39 0.22 -0.10 3.32 1.04 0.21 -1.23 113.70 117.56 1xe0 s SER 50 Ca -0.16 -0.54 -0.15 0.00 0.48 0.00 0.00 55.95 55.58 1xe0 s SER 50 Cb -0.17 0.18 -0.05 0.00 0.10 0.00 0.00 66.02 66.09 1xe0 s SER 50 CO 0.07 -0.44 0.37 -0.76 0.98 0.00 0.00 173.24 173.46 1xe0 s LEU 51 N -1.92 4.33 0.86 2.42 1.43 -0.31 -0.18 118.68 125.30 1xe0 s LEU 51 Ca -0.08 0.72 -0.11 0.00 -1.03 0.00 0.00 54.13 53.62 1xe0 s LEU 51 Cb -0.04 -2.50 0.11 0.00 0.03 0.00 0.00 46.19 43.79 1xe0 s LEU 51 CO -0.03 0.15 1.09 -0.83 0.23 0.00 0.00 176.35 176.97 1xe0 s GLY 52 N -0.01 1.62 0.42 -3.19 0.00 -0.24 -4.95 107.32 100.97 1xe0 s GLY 52 Ca 0.21 -0.13 0.12 0.00 0.00 0.00 0.00 44.72 44.93 1xe0 s GLY 52 CO 0.08 0.34 1.97 0.00 0.00 0.00 0.00 173.10 175.49 1xe0 h ALA 53 N -1.37 1.96 -0.31 3.20 0.00 -1.98 -2.50 119.26 118.26 1xe0 h ALA 53 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1xe0 h ALA 53 Cb 1.28 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1xe0 h ALA 53 CO 0.56 -0.10 0.00 -1.13 0.00 0.00 0.00 179.25 178.59 1xe0 n SER 54 N -4.48 2.72 -4.73 0.00 3.41 -1.26 -4.92 113.62 104.36 1xe0 n SER 54 Ca 0.10 -1.89 -0.42 0.00 -0.26 0.00 0.00 58.87 56.40 1xe0 n SER 54 Cb 0.35 -0.20 -0.02 0.00 -0.26 0.00 0.00 64.21 64.08 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 -1.60 3.76 0.21 7.33 0.00 -0.94 -4.82 121.76 125.70 1xe0 s ALA 55 Ca 0.36 1.46 -0.32 0.00 0.00 0.00 0.00 51.96 53.46 1xe0 s ALA 55 Cb 0.20 -3.63 -0.14 0.00 0.00 0.00 0.00 23.12 19.55 1xe0 s ALA 55 CO 0.29 -0.86 1.32 1.17 0.00 0.00 0.00 175.76 177.68 1xe0 n LYS 56 N 3.02 1.71 -2.14 0.00 4.81 -1.26 -4.85 118.16 119.45 1xe0 n LYS 56 Ca 0.11 0.61 -0.31 0.00 -0.87 0.00 0.00 58.31 57.85 1xe0 n LYS 56 Cb 0.38 -2.21 -0.05 0.00 0.02 0.00 0.00 35.03 33.17 1xe0 n LYS 56 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1xe0 n ASP 57 N 2.13 3.37 -3.87 3.14 2.03 -1.26 -4.69 116.55 117.40 1xe0 n ASP 57 Ca 0.13 -2.73 -0.09 0.00 0.52 0.00 0.00 54.79 52.61 1xe0 n ASP 57 Cb 0.29 -1.74 -0.05 0.00 -0.72 0.00 0.00 41.12 38.90 1xe0 n ASP 57 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 1xe0 s GLU 58 N 6.09 1.32 0.17 -0.67 -1.05 -1.26 -4.96 118.70 118.35 1xe0 s GLU 58 Ca 0.66 -1.05 -0.31 0.00 -0.15 0.00 0.00 54.97 54.12 1xe0 s GLU 58 Cb 0.00 0.46 -0.09 0.00 -0.44 0.00 0.00 34.13 34.06 1xe0 s GLU 58 CO 0.13 -0.53 1.42 -0.51 0.95 0.00 0.00 175.26 176.72 1xe0 s LEU 59 N -2.93 4.38 -0.03 1.83 1.43 -1.26 -4.43 118.68 117.67 1xe0 s LEU 59 Ca 0.14 2.48 0.06 0.00 -1.03 0.00 0.00 54.13 55.78 1xe0 s LEU 59 Cb 0.01 -3.60 -0.02 0.00 0.03 0.00 0.00 46.19 42.60 1xe0 s LEU 59 CO 0.00 -0.67 -0.21 -1.00 0.23 0.00 0.00 176.35 174.70 1xe0 s HIS 60 N 0.64 2.49 -0.08 0.29 3.76 0.51 -3.87 115.29 119.04 1xe0 s HIS 60 Ca 0.63 -0.31 0.02 0.00 -0.15 0.00 0.00 55.06 55.25 1xe0 s HIS 60 Cb -0.39 -1.55 0.01 0.00 1.11 0.00 0.00 32.58 31.76 1xe0 s HIS 60 CO 0.35 0.06 -0.14 0.08 -0.85 0.00 0.00 174.74 174.24 1xe0 s VAL 61 N -0.67 1.31 -0.13 -0.90 1.01 -0.51 -0.77 120.40 119.74 1xe0 s VAL 61 Ca 0.11 -0.57 -0.01 0.00 0.00 0.00 0.00 61.98 61.51 1xe0 s VAL 61 Cb -0.10 -1.18 -0.02 0.00 0.00 0.00 0.00 36.38 35.07 1xe0 s VAL 61 CO -0.00 0.39 -0.10 -0.69 0.00 0.00 0.00 175.10 174.70 1xe0 s VAL 62 N 0.68 3.35 0.24 2.92 1.01 -0.38 -1.52 120.40 126.70 1xe0 s VAL 62 Ca -0.14 -0.56 0.11 0.00 0.00 0.00 0.00 61.98 61.39 1xe0 s VAL 62 Cb -0.16 -2.42 -0.05 0.00 0.00 0.00 0.00 36.38 33.76 1xe0 s VAL 62 CO 0.04 0.53 -0.20 -1.83 0.00 0.00 0.00 175.10 173.63 1xe0 s GLU 63 N 0.18 1.56 -0.06 2.72 -1.05 -0.31 -0.50 118.70 121.23 1xe0 s GLU 63 Ca -0.06 -1.65 0.03 0.00 -0.15 0.00 0.00 54.97 53.14 1xe0 s GLU 63 Cb -0.15 -1.67 -0.03 0.00 -0.44 0.00 0.00 34.13 31.85 1xe0 s GLU 63 CO 0.04 0.33 -0.13 0.00 0.95 0.00 0.00 175.26 176.45 1xe0 s ALA 64 N -2.31 2.71 -0.14 -0.84 0.00 -0.49 -0.77 121.76 119.94 1xe0 s ALA 64 Ca 0.25 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.26 1xe0 s ALA 64 Cb -0.05 -1.05 0.02 0.00 0.00 0.00 0.00 23.12 22.04 1xe0 s ALA 64 CO 0.12 0.51 -0.12 -2.00 0.00 0.00 0.00 175.76 174.27 1xe0 s GLU 65 N -0.59 2.07 0.07 0.00 2.12 0.41 -0.46 118.70 122.32 1xe0 s GLU 65 Ca 0.08 -0.47 -0.09 0.00 0.36 0.00 0.00 54.97 54.86 1xe0 s GLU 65 Cb -0.11 -1.95 0.03 0.00 0.26 0.00 0.00 34.13 32.35 1xe0 s GLU 65 CO 0.01 -0.25 0.41 0.41 -0.54 0.00 0.00 175.26 175.31 1xe0 n GLY 66 N 4.82 1.02 3.77 -1.50 0.00 -0.05 -1.75 105.19 111.51 1xe0 n GLY 66 Ca -0.16 -1.01 -0.37 0.00 0.00 0.00 0.00 46.02 44.48 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 -2.37 5.21 0.81 -0.61 -1.09 -1.26 0.66 121.20 122.56 1xe0 s ILE 67 Ca 0.09 0.69 -0.05 0.00 -2.23 0.00 0.00 60.65 59.15 1xe0 s ILE 67 Cb -0.01 -3.68 0.17 0.00 -1.58 0.00 0.00 42.46 37.36 1xe0 s ILE 67 CO 0.02 0.45 1.12 0.54 -1.23 0.00 0.00 174.94 175.84 1xe0 s ASN 68 N -0.07 3.82 0.48 3.58 4.22 -0.31 -4.91 114.94 121.76 1xe0 s ASN 68 Ca 0.21 -0.28 0.18 0.00 -2.14 0.00 0.00 52.86 50.83 1xe0 s ASN 68 Cb -0.14 0.09 1.19 0.00 1.28 0.00 0.00 41.25 43.66 1xe0 s ASN 68 CO 0.08 -2.23 2.05 0.22 -2.04 0.00 0.00 177.10 175.17 1xe0 h TYR 69 N -0.93 0.00 -0.56 1.54 3.20 -1.98 -1.38 116.97 116.86 1xe0 h TYR 69 Ca -0.37 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.50 1xe0 h TYR 69 Cb 1.25 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.52 1xe0 h TYR 69 CO -0.61 0.14 0.00 -0.85 -1.64 0.00 0.00 178.16 175.20 1xe0 n GLU 70 N -4.18 4.23 -0.97 1.82 0.28 -1.26 -4.97 120.64 115.59 1xe0 n GLU 70 Ca -0.02 -2.83 0.00 0.00 -0.16 0.00 0.00 57.16 54.15 1xe0 n GLU 70 Cb 0.21 -2.08 0.00 0.00 1.43 0.00 0.00 31.44 31.00 1xe0 n GLU 70 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1xe0 n GLY 71 N 0.77 0.57 3.63 -1.84 0.00 -0.52 -5.04 105.19 102.77 1xe0 n GLY 71 Ca 0.25 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.89 1xe0 n GLY 71 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xe0 s LYS 72 N -0.03 4.07 -0.05 1.61 2.20 -1.26 -4.80 119.74 121.49 1xe0 s LYS 72 Ca 0.00 0.04 -0.37 0.00 -0.36 0.00 0.00 55.97 55.29 1xe0 s LYS 72 Cb 0.00 -3.60 -0.15 0.00 -1.51 0.00 0.00 37.83 32.57 1xe0 s LYS 72 CO 0.00 -0.15 1.62 2.41 -0.36 0.00 0.00 175.35 178.87 1xe0 n THR 73 N 4.74 0.21 -4.32 3.43 -1.04 -1.26 -1.16 114.28 114.88 1xe0 n THR 73 Ca -0.09 -0.04 -0.19 0.00 -2.04 0.00 0.00 64.05 61.69 1xe0 n THR 73 Cb 0.51 -1.28 -0.10 0.00 -1.82 0.00 0.00 70.33 67.63 1xe0 n THR 73 CO 0.00 0.00 0.00 0.27 -0.64 0.00 0.00 175.07 174.70 1xe0 s ILE 74 N 2.22 1.67 -0.16 12.58 -4.36 0.21 -4.92 121.20 128.45 1xe0 s ILE 74 Ca 0.89 -2.06 -0.02 0.00 -0.26 0.00 0.00 60.65 59.20 1xe0 s ILE 74 Cb -0.89 -1.91 -0.02 0.00 1.25 0.00 0.00 42.46 40.89 1xe0 s ILE 74 CO 0.52 -0.51 -0.07 -0.54 0.24 0.00 0.00 174.94 174.58 1xe0 s LYS 75 N -3.29 3.53 0.10 0.37 1.02 -1.26 -0.87 119.74 119.34 1xe0 s LYS 75 Ca 0.18 -0.59 0.09 0.00 0.02 0.00 0.00 55.97 55.67 1xe0 s LYS 75 Cb -0.02 -2.83 -0.03 0.00 -0.52 0.00 0.00 37.83 34.42 1xe0 s LYS 75 CO 0.06 0.17 -0.22 0.96 -0.92 0.00 0.00 175.35 175.40 1xe0 s ILE 76 N 0.51 1.81 -0.17 2.17 -4.36 0.39 -4.97 121.20 116.58 1xe0 s ILE 76 Ca -0.05 -1.52 -0.21 0.00 -0.26 0.00 0.00 60.65 58.61 1xe0 s ILE 76 Cb -0.15 -1.62 -0.03 0.00 1.25 0.00 0.00 42.46 41.92 1xe0 s ILE 76 CO 0.03 0.02 0.65 0.00 0.24 0.00 0.00 174.94 175.88 1xe0 s ALA 77 N -1.07 3.51 -0.17 2.27 0.00 -1.26 -1.39 121.76 123.65 1xe0 s ALA 77 Ca 0.08 -0.19 -0.23 0.00 0.00 0.00 0.00 51.96 51.62 1xe0 s ALA 77 Cb -0.10 -2.97 -0.23 0.00 0.00 0.00 0.00 23.12 19.83 1xe0 s ALA 77 CO 0.04 -0.47 0.45 -0.07 0.00 0.00 0.00 175.76 175.71 1xe0 h LEU 78 N 7.93 0.06 -7.19 0.00 3.38 -1.12 -3.48 115.31 114.90 1xe0 h LEU 78 Ca -0.33 -0.72 -0.08 0.00 0.09 0.00 0.00 57.88 56.83 1xe0 h LEU 78 Cb 1.15 -0.02 -0.20 0.00 0.09 0.00 0.00 40.66 41.68 1xe0 h LEU 78 CO 0.78 1.36 0.01 0.00 0.09 0.00 0.00 178.44 180.67 1xe0 s ALA 79 N -2.34 -1.40 -0.21 1.53 0.00 -1.06 -5.02 121.76 113.27 1xe0 s ALA 79 Ca -0.24 1.02 -0.04 0.00 0.00 0.00 0.00 51.96 52.70 1xe0 s ALA 79 Cb 0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 23.12 23.06 1xe0 s ALA 79 CO 0.65 -0.32 -0.04 -1.12 0.00 0.00 0.00 175.76 174.93 1xe0 s SER 80 N -1.07 4.39 0.16 0.00 0.01 -1.26 -1.25 113.70 114.69 1xe0 s SER 80 Ca -0.11 -0.35 0.08 0.00 1.31 0.00 0.00 55.95 56.89 1xe0 s SER 80 Cb -0.02 -1.75 -0.04 0.00 0.21 0.00 0.00 66.02 64.42 1xe0 s SER 80 CO 0.07 0.01 -0.17 -0.76 0.41 0.00 0.00 173.24 172.80 1xe0 s LEU 81 N 1.30 2.45 -0.15 2.44 1.43 0.05 -4.94 118.68 121.26 1xe0 s LEU 81 Ca 0.04 -0.87 -0.09 0.00 -1.03 0.00 0.00 54.13 52.17 1xe0 s LEU 81 Cb -0.14 -0.78 0.05 0.00 0.03 0.00 0.00 46.19 45.35 1xe0 s LEU 81 CO -0.01 -0.06 0.37 -0.75 0.23 0.00 0.00 176.35 176.12 1xe0 s LYS 82 N -2.87 0.36 0.27 1.70 2.20 -0.89 -0.36 119.74 120.16 1xe0 s LYS 82 Ca 0.16 0.67 0.01 0.00 -0.36 0.00 0.00 55.97 56.45 1xe0 s LYS 82 Cb -0.05 0.01 0.61 0.00 -1.51 0.00 0.00 37.83 36.88 1xe0 s LYS 82 CO 0.06 -0.14 1.75 -1.35 -0.36 0.00 0.00 175.35 175.31 1xe0 h PRO 83 N 6.80 0.56 -0.11 4.03 0.11 -1.82 0.12 132.00 141.69 1xe0 h PRO 83 Ca -0.35 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1xe0 h PRO 83 Cb 1.18 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1xe0 h PRO 83 CO 0.31 0.37 0.00 -1.13 -0.21 0.00 0.00 178.00 177.34 1xe0 n SER 84 N -4.91 1.73 0.00 -2.05 3.41 -1.26 -4.38 113.62 106.16 1xe0 n SER 84 Ca 0.19 -1.65 0.00 0.00 -0.26 0.00 0.00 58.87 57.15 1xe0 n SER 84 Cb 0.51 -0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 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 0.36 0.00 -2.97 -3.33 0.31 -0.91 -5.03 118.33 106.76 1xe0 n VAL 85 Ca 0.17 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.49 1xe0 n VAL 85 Cb 0.36 -0.87 0.00 0.00 -0.91 0.00 0.00 33.84 32.43 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 -1.90 0.88 0.16 5.55 0.74 0.38 -4.97 119.66 120.50 1xe0 s GLN 86 Ca 0.00 -0.60 0.26 0.00 0.05 0.00 0.00 55.36 55.08 1xe0 s GLN 86 Cb 0.00 0.03 0.91 0.00 1.10 0.00 0.00 33.01 35.05 1xe0 s GLN 86 CO 0.00 -1.17 1.80 -0.35 -0.55 0.00 0.00 175.29 175.02 1xe0 n PRO 87 N 3.67 0.19 -4.19 1.67 -0.04 -1.10 -2.09 135.00 133.10 1xe0 n PRO 87 Ca 0.14 0.19 -0.17 0.00 -0.04 0.00 0.00 63.50 63.62 1xe0 n PRO 87 Cb 0.57 -1.74 -0.15 0.00 -0.04 0.00 0.00 33.50 32.15 1xe0 n PRO 87 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1xe0 s THR 88 N -3.09 0.47 -0.07 0.52 2.01 -1.26 -1.16 115.64 113.06 1xe0 s THR 88 Ca 0.11 -0.23 0.04 0.00 0.31 0.00 0.00 61.69 61.91 1xe0 s THR 88 Cb 0.13 -0.41 0.00 0.00 0.01 0.00 0.00 72.50 72.23 1xe0 s THR 88 CO 0.56 0.14 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.76 1xe0 s VAL 89 N -0.01 1.59 -0.24 3.82 1.01 -0.36 -5.00 120.40 121.21 1xe0 s VAL 89 Ca 0.01 -0.77 -0.17 0.00 0.00 0.00 0.00 61.98 61.05 1xe0 s VAL 89 Cb -0.04 -1.38 -0.03 0.00 0.00 0.00 0.00 36.38 34.93 1xe0 s VAL 89 CO -0.00 0.45 0.46 -0.55 0.00 0.00 0.00 175.10 175.46 1xe0 s SER 90 N 0.29 6.41 0.16 3.32 0.15 -1.26 -0.97 113.70 121.79 1xe0 s SER 90 Ca -0.11 0.49 0.24 0.00 0.70 0.00 0.00 55.95 57.26 1xe0 s SER 90 Cb -0.15 -2.26 0.26 0.00 -1.71 0.00 0.00 66.02 62.17 1xe0 s SER 90 CO 0.05 -0.20 1.27 -0.07 1.20 0.00 0.00 173.24 175.49 1xe0 h LEU 91 N 8.37 0.00 0.02 3.45 3.38 -1.00 -3.49 115.31 126.05 1xe0 h LEU 91 Ca -0.32 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.51 1xe0 h LEU 91 Cb 1.15 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.90 1xe0 h LEU 91 CO 0.70 0.07 -0.00 0.61 0.09 0.00 0.00 178.44 179.91 1xe0 n GLY 92 N 1.28 0.38 0.97 0.83 0.00 -1.23 -4.12 105.19 103.30 1xe0 n GLY 92 Ca 0.02 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.07 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 -1.87 0.88 3.52 -0.02 0.00 -0.45 -5.02 105.19 102.23 1xe0 n GLY 93 Ca -0.00 -0.45 -0.43 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.64 2.75 -0.09 1.61 5.99 -0.61 -4.72 117.98 120.28 1xe0 s PHE 94 Ca 0.00 -0.00 -0.20 0.00 0.00 0.00 0.00 56.93 56.73 1xe0 s PHE 94 Cb 0.00 -4.15 -0.04 0.00 0.00 0.00 0.00 43.02 38.83 1xe0 s PHE 94 CO 0.00 -1.41 0.55 -1.21 -0.00 0.00 0.00 175.22 173.15 1xe0 s GLU 95 N 4.10 4.36 -0.03 10.12 2.02 -1.26 -0.48 118.70 137.53 1xe0 s GLU 95 Ca 0.31 0.60 0.03 0.00 0.02 0.00 0.00 54.97 55.94 1xe0 s GLU 95 Cb -0.12 -3.42 0.00 0.00 0.10 0.00 0.00 34.13 30.69 1xe0 s GLU 95 CO 0.19 0.17 -0.12 0.42 0.02 0.00 0.00 175.26 175.94 1xe0 s ILE 96 N 0.54 1.03 -0.02 -1.63 1.01 0.10 -4.98 121.20 117.25 1xe0 s ILE 96 Ca 0.30 -0.50 -0.19 0.00 0.00 0.00 0.00 60.65 60.26 1xe0 s ILE 96 Cb -0.16 -0.89 -0.05 0.00 0.01 0.00 0.00 42.46 41.36 1xe0 s ILE 96 CO 0.13 0.31 0.54 -0.89 0.00 0.00 0.00 174.94 175.03 1xe0 s THR 97 N 0.10 4.96 0.63 2.92 2.01 -1.26 -1.60 115.64 123.41 1xe0 s THR 97 Ca -0.03 1.12 -0.17 0.00 0.31 0.00 0.00 61.69 62.93 1xe0 s THR 97 Cb -0.09 -3.87 -0.01 0.00 0.01 0.00 0.00 72.50 68.53 1xe0 s THR 97 CO 0.01 0.44 1.15 -2.16 -0.69 0.00 0.00 174.62 173.37 1xe0 s PRO 98 N -0.27 2.85 0.32 4.92 0.04 -1.26 -4.42 135.00 137.18 1xe0 s PRO 98 Ca 0.29 1.57 -0.20 0.00 0.04 0.00 0.00 61.00 62.70 1xe0 s PRO 98 Cb -0.17 -1.94 -0.09 0.00 0.04 0.00 0.00 34.50 32.33 1xe0 s PRO 98 CO 0.15 -1.24 0.83 -1.25 0.04 0.00 0.00 177.00 175.53 1xe0 s PRO 99 N -3.75 4.25 -0.11 0.56 0.04 -1.26 -5.00 135.00 129.73 1xe0 s PRO 99 Ca 0.71 0.97 -0.08 0.00 0.04 0.00 0.00 61.00 62.64 1xe0 s PRO 99 Cb -0.24 -2.56 0.03 0.00 0.04 0.00 0.00 34.50 31.77 1xe0 s PRO 99 CO 0.37 0.19 0.27 0.54 0.04 0.00 0.00 177.00 178.42 1xe0 s VAL 100 N -1.84 -0.01 -0.17 -0.36 0.11 -0.22 -4.61 120.40 113.30 1xe0 s VAL 100 Ca 0.53 0.05 -0.06 0.00 -2.93 0.00 0.00 61.98 59.56 1xe0 s VAL 100 Cb -0.13 -0.39 -0.04 0.00 -1.53 0.00 0.00 36.38 34.29 1xe0 s VAL 100 CO 0.18 0.02 0.05 -0.63 -3.33 0.00 0.00 175.10 171.39 1xe0 s ILE 101 N 0.53 4.68 -0.14 7.04 1.01 -0.72 0.05 121.20 133.64 1xe0 s ILE 101 Ca -0.03 -0.08 -0.05 0.00 0.00 0.00 0.00 60.65 60.49 1xe0 s ILE 101 Cb -0.05 -3.08 -0.04 0.00 0.01 0.00 0.00 42.46 39.30 1xe0 s ILE 101 CO -0.03 0.49 0.05 -0.76 0.00 0.00 0.00 174.94 174.69 1xe0 s LEU 102 N 0.15 3.80 0.01 2.97 1.43 -0.10 -0.44 118.68 126.50 1xe0 s LEU 102 Ca 0.04 0.16 -0.00 0.00 -1.03 0.00 0.00 54.13 53.29 1xe0 s LEU 102 Cb -0.12 -1.92 -0.01 0.00 0.03 0.00 0.00 46.19 44.16 1xe0 s LEU 102 CO 0.01 0.28 -0.02 0.00 0.23 0.00 0.00 176.35 176.85 1xe0 s ARG 103 N -0.29 0.22 -0.73 1.70 1.70 0.05 -0.72 118.95 120.89 1xe0 s ARG 103 Ca 0.08 -0.42 -0.19 0.00 -0.47 0.00 0.00 55.73 54.72 1xe0 s ARG 103 Cb -0.12 0.08 0.11 0.00 -0.57 0.00 0.00 34.95 34.45 1xe0 s ARG 103 CO 0.02 -0.04 0.90 -1.17 -1.08 0.00 0.00 175.30 173.93 1xe0 s LEU 104 N -1.03 5.13 0.15 -1.89 2.96 0.13 -1.17 118.68 122.97 1xe0 s LEU 104 Ca -0.11 -1.59 -0.08 0.00 -0.22 0.00 0.00 54.13 52.12 1xe0 s LEU 104 Cb -0.07 -2.35 -0.02 0.00 0.50 0.00 0.00 46.19 44.24 1xe0 s LEU 104 CO -0.01 -1.15 1.43 0.50 -1.32 0.00 0.00 176.35 175.80 1xe0 h LYS 105 N 9.07 0.74 -3.13 1.98 3.64 -1.59 -3.48 116.57 123.81 1xe0 h LYS 105 Ca -0.13 -0.49 -0.02 0.00 -1.27 0.00 0.00 60.65 58.74 1xe0 h LYS 105 Cb 1.06 0.07 -0.11 0.00 -0.41 0.00 0.00 32.23 32.84 1xe0 h LYS 105 CO 1.10 1.12 0.13 -1.54 -2.27 0.00 0.00 179.45 177.98 1xe0 s SER 106 N -6.96 -0.41 0.00 4.20 1.04 -1.20 -4.96 113.70 105.40 1xe0 s SER 106 Ca -0.09 -0.22 0.00 0.00 0.48 0.00 0.00 55.95 56.12 1xe0 s SER 106 Cb 0.10 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.81 1xe0 s SER 106 CO 0.87 -1.01 0.00 0.61 0.98 0.00 0.00 173.24 174.69 1xe0 n GLY 107 N -0.36 0.78 0.00 7.32 0.00 -1.25 -1.42 105.19 110.27 1xe0 n GLY 107 Ca -0.14 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.23 1xe0 n GLY 107 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xe0 n SER 108 N -0.46 0.00 -4.91 1.61 3.41 -1.26 -4.92 113.62 107.09 1xe0 n SER 108 Ca 0.00 0.80 -0.21 0.00 -0.26 0.00 0.00 58.87 59.20 1xe0 n SER 108 Cb 0.00 -0.44 0.08 0.00 -0.26 0.00 0.00 64.21 63.60 1xe0 n SER 108 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1xe0 s GLY 109 N -1.14 1.71 0.44 5.00 0.00 -1.26 -3.56 107.32 108.52 1xe0 s GLY 109 Ca 0.00 -2.10 -0.22 0.00 0.00 0.00 0.00 44.72 42.40 1xe0 s GLY 109 CO 0.00 -1.56 1.01 2.56 0.00 0.00 0.00 173.10 175.10 1xe0 s PRO 110 N -4.85 4.07 0.07 2.90 0.04 -1.26 -4.78 135.00 131.18 1xe0 s PRO 110 Ca 0.64 1.33 0.09 0.00 0.04 0.00 0.00 61.00 63.10 1xe0 s PRO 110 Cb -0.05 -2.28 -0.03 0.00 0.04 0.00 0.00 34.50 32.18 1xe0 s PRO 110 CO 0.41 -0.20 -0.24 0.08 0.04 0.00 0.00 177.00 177.10 1xe0 s VAL 111 N -1.93 1.96 0.05 -0.36 1.01 0.14 -1.08 120.40 120.19 1xe0 s VAL 111 Ca 0.62 -1.42 0.09 0.00 0.00 0.00 0.00 61.98 61.27 1xe0 s VAL 111 Cb -0.16 -1.71 -0.03 0.00 0.00 0.00 0.00 36.38 34.48 1xe0 s VAL 111 CO 0.20 0.21 -0.25 -0.31 0.00 0.00 0.00 175.10 174.96 1xe0 s TYR 112 N -0.89 2.37 -0.03 5.22 1.51 0.75 -0.44 117.35 125.84 1xe0 s TYR 112 Ca 0.10 -0.38 0.07 0.00 -1.01 0.00 0.00 57.07 55.85 1xe0 s TYR 112 Cb -0.10 -1.39 -0.02 0.00 -0.11 0.00 0.00 41.96 40.35 1xe0 s TYR 112 CO 0.03 0.17 -0.25 0.08 -1.11 0.00 0.00 175.55 174.48 1xe0 s VAL 113 N -0.85 1.97 0.18 0.71 1.01 -0.51 -0.62 120.40 122.29 1xe0 s VAL 113 Ca 0.13 -1.05 0.10 0.00 0.00 0.00 0.00 61.98 61.15 1xe0 s VAL 113 Cb -0.10 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.59 1xe0 s VAL 113 CO 0.03 0.56 -0.20 -0.94 0.00 0.00 0.00 175.10 174.55 1xe0 s SER 114 N -0.43 2.95 0.00 3.32 1.04 0.09 -1.60 113.70 119.08 1xe0 s SER 114 Ca 0.05 -0.88 0.00 0.00 0.48 0.00 0.00 55.95 55.60 1xe0 s SER 114 Cb -0.11 -0.19 0.00 0.00 0.10 0.00 0.00 66.02 65.82 1xe0 s SER 114 CO 0.01 0.01 0.00 0.61 0.98 0.00 0.00 173.24 174.85 1xe0 n GLY 115 N 0.22 0.95 3.28 7.32 0.00 -0.25 -0.59 105.19 116.12 1xe0 n GLY 115 Ca -0.12 -0.31 -0.27 0.00 0.00 0.00 0.00 46.02 45.31 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 1.82 1.50 -0.30 1.61 -0.21 -0.30 -0.86 119.66 122.91 1xe0 s GLN 116 Ca 0.00 -1.01 -0.00 0.00 0.02 0.00 0.00 55.36 54.37 1xe0 s GLN 116 Cb 0.00 -1.65 0.06 0.00 1.00 0.00 0.00 33.01 32.42 1xe0 s GLN 116 CO 0.00 0.42 -0.01 -1.58 -2.12 0.00 0.00 175.29 172.00 1xe0 s HIS 117 N -0.82 3.34 0.15 0.91 5.65 0.15 -1.17 115.29 123.50 1xe0 s HIS 117 Ca 0.09 -2.15 -0.14 0.00 0.25 0.00 0.00 55.06 53.12 1xe0 s HIS 117 Cb -0.09 -2.23 -0.07 0.00 -1.18 0.00 0.00 32.58 29.01 1xe0 s HIS 117 CO 0.02 -0.85 0.55 -0.51 -0.65 0.00 0.00 174.74 173.30 1xe0 s LEU 118 N 1.17 4.32 0.00 8.88 1.43 -0.19 -0.90 118.68 133.40 1xe0 s LEU 118 Ca -0.04 1.06 0.00 0.00 -1.03 0.00 0.00 54.13 54.12 1xe0 s LEU 118 Cb -0.20 -3.31 0.00 0.00 0.03 0.00 0.00 46.19 42.71 1xe0 s LEU 118 CO -0.03 0.09 0.00 0.52 0.23 0.00 0.00 176.35 177.16