#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ws5 s LYS 2 N 0.00 3.98 0.56 1.61 2.20 0.42 -4.76 119.74 123.75 1ws5 s LYS 2 Ca 0.00 0.09 -0.18 0.00 -0.36 0.00 0.00 55.97 55.52 1ws5 s LYS 2 Cb 0.00 -3.68 -0.05 0.00 -1.51 0.00 0.00 37.83 32.60 1ws5 s LYS 2 CO 0.00 -0.35 1.09 0.00 -0.36 0.00 0.00 175.35 175.74 1ws5 s ALA 3 N 2.17 2.70 0.05 3.13 0.00 -1.26 -1.61 121.76 126.94 1ws5 s ALA 3 Ca 0.17 0.64 -0.09 0.00 0.00 0.00 0.00 51.96 52.68 1ws5 s ALA 3 Cb -0.16 -3.30 -0.00 0.00 0.00 0.00 0.00 23.12 19.66 1ws5 s ALA 3 CO 0.10 -0.77 0.18 -0.59 0.00 0.00 0.00 175.76 174.68 1ws5 s PHE 4 N -2.06 0.11 -0.28 0.00 -0.71 0.34 -4.94 117.98 110.44 1ws5 s PHE 4 Ca 0.69 -0.40 0.01 0.00 -1.04 0.00 0.00 56.93 56.18 1ws5 s PHE 4 Cb -0.20 -0.06 0.15 0.00 -1.21 0.00 0.00 43.02 41.71 1ws5 s PHE 4 CO 0.30 -0.46 0.40 0.34 -1.34 0.00 0.00 175.22 174.46 1ws5 s ASP 5 N -2.34 0.40 0.35 1.98 -1.08 -1.26 -1.06 116.67 113.66 1ws5 s ASP 5 Ca -0.02 -0.24 0.14 0.00 -0.52 0.00 0.00 52.55 51.92 1ws5 s ASP 5 Cb 0.01 1.09 0.64 0.00 -1.46 0.00 0.00 42.92 43.20 1ws5 s ASP 5 CO -0.06 -0.34 1.75 0.44 0.52 0.00 0.00 175.17 177.48 1ws5 h ASP 6 N 8.17 0.00 -3.23 -0.34 3.32 -1.54 -3.49 116.42 119.31 1ws5 h ASP 6 Ca -0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.93 1ws5 h ASP 6 Cb 1.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.68 1ws5 h ASP 6 CO 0.27 0.44 0.00 0.61 -1.72 0.00 0.00 179.24 178.84 1ws5 n GLY 7 N -0.10 -1.82 3.65 2.75 0.00 -1.25 -4.95 105.19 103.46 1ws5 n GLY 7 Ca -0.01 -1.78 -0.33 0.00 0.00 0.00 0.00 46.02 43.89 1ws5 n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ws5 s ALA 8 N -1.60 3.18 0.00 4.61 0.00 -1.26 -3.89 121.76 122.79 1ws5 s ALA 8 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 51.03 1ws5 s ALA 8 Cb 0.00 -1.30 0.00 0.00 0.00 0.00 0.00 23.12 21.82 1ws5 s ALA 8 CO 0.00 0.62 0.00 1.19 0.00 0.00 0.00 175.76 177.57 1ws5 n PHE 9 N 1.71 0.00 0.33 0.00 3.01 0.10 -5.00 117.46 117.61 1ws5 n PHE 9 Ca -0.16 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.41 1ws5 n PHE 9 Cb 0.53 0.00 0.04 0.00 -0.01 0.00 0.00 39.48 40.03 1ws5 n PHE 9 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 1ws5 n THR 10 N 0.00 0.40 -2.78 4.37 -1.04 -0.50 -4.83 114.28 109.90 1ws5 n THR 10 Ca 0.00 -0.40 0.00 0.00 -2.04 0.00 0.00 64.05 61.61 1ws5 n THR 10 Cb 0.00 -0.12 0.00 0.00 -1.82 0.00 0.00 70.33 68.39 1ws5 n THR 10 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ws5 n GLY 11 N 1.27 -1.43 3.13 3.41 0.00 -1.18 -4.92 105.19 105.47 1ws5 n GLY 11 Ca 0.01 -1.02 -0.27 0.00 0.00 0.00 0.00 46.02 44.74 1ws5 n GLY 11 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ws5 s ILE 12 N -2.81 1.46 -0.13 -0.61 1.01 -1.26 -1.26 121.20 117.61 1ws5 s ILE 12 Ca 0.00 -0.72 0.04 0.00 0.00 0.00 0.00 60.65 59.97 1ws5 s ILE 12 Cb 0.00 -1.27 -0.10 0.00 0.01 0.00 0.00 42.46 41.10 1ws5 s ILE 12 CO 0.00 0.42 -0.08 0.54 0.00 0.00 0.00 174.94 175.83 1ws5 n ARG 13 N 3.31 0.90 -3.64 2.79 1.74 -0.10 -4.80 116.66 116.85 1ws5 n ARG 13 Ca -0.19 0.05 -0.15 0.00 -0.77 0.00 0.00 57.85 56.79 1ws5 n ARG 13 Cb 0.53 -1.27 -0.08 0.00 -1.02 0.00 0.00 32.46 30.62 1ws5 n ARG 13 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1ws5 s GLU 14 N -2.27 0.82 -0.09 5.56 2.12 -0.80 -1.29 118.70 122.75 1ws5 s GLU 14 Ca -0.15 0.24 0.02 0.00 0.36 0.00 0.00 54.97 55.43 1ws5 s GLU 14 Cb 0.04 0.38 0.02 0.00 0.26 0.00 0.00 34.13 34.83 1ws5 s GLU 14 CO 0.35 -0.22 -0.12 0.42 -0.54 0.00 0.00 175.26 175.15 1ws5 s ILE 15 N -0.86 1.24 -0.27 -3.70 1.01 0.12 -0.44 121.20 118.31 1ws5 s ILE 15 Ca -0.09 -0.50 -0.01 0.00 0.00 0.00 0.00 60.65 60.05 1ws5 s ILE 15 Cb -0.03 -1.16 0.04 0.00 0.01 0.00 0.00 42.46 41.33 1ws5 s ILE 15 CO 0.06 0.39 -0.06 0.20 0.00 0.00 0.00 174.94 175.53 1ws5 s ASN 16 N 0.99 4.49 0.23 3.58 0.01 0.11 -0.15 114.94 124.19 1ws5 s ASN 16 Ca -0.08 -1.11 0.03 0.00 -0.71 0.00 0.00 52.86 50.99 1ws5 s ASN 16 Cb -0.15 -1.65 -0.05 0.00 0.41 0.00 0.00 41.25 39.81 1ws5 s ASN 16 CO -0.01 -0.18 0.01 -1.48 -1.51 0.00 0.00 177.10 173.93 1ws5 s LEU 17 N 1.25 2.13 0.09 0.60 0.05 -0.77 -0.39 118.68 121.65 1ws5 s LEU 17 Ca -0.03 -1.23 0.04 0.00 0.05 0.00 0.00 54.13 52.95 1ws5 s LEU 17 Cb -0.18 -0.21 -0.03 0.00 -2.05 0.00 0.00 46.19 43.71 1ws5 s LEU 17 CO -0.04 -0.54 -0.10 -0.94 -0.55 0.00 0.00 176.35 174.18 1ws5 s SER 18 N -3.29 1.42 0.23 1.48 1.04 -0.85 0.15 113.70 113.88 1ws5 s SER 18 Ca 0.29 -0.79 -0.12 0.00 0.48 0.00 0.00 55.95 55.81 1ws5 s SER 18 Cb 0.06 0.01 -0.00 0.00 0.10 0.00 0.00 66.02 66.19 1ws5 s SER 18 CO 0.08 -0.25 0.45 -0.72 0.98 0.00 0.00 173.24 173.78 1ws5 s TYR 19 N -2.32 0.33 -0.08 5.02 1.13 -0.51 -0.53 117.35 120.40 1ws5 s TYR 19 Ca 0.04 -0.69 0.01 0.00 -1.41 0.00 0.00 57.07 55.02 1ws5 s TYR 19 Cb -0.04 0.16 0.02 0.00 -1.10 0.00 0.00 41.96 41.00 1ws5 s TYR 19 CO 0.00 -0.94 -0.10 1.21 -2.51 0.00 0.00 175.55 173.21 1ws5 s ASN 20 N -3.00 1.84 0.27 -0.18 3.84 -0.88 0.43 114.94 117.25 1ws5 s ASN 20 Ca 0.21 -0.28 0.14 0.00 0.21 0.00 0.00 52.86 53.13 1ws5 s ASN 20 Cb 0.00 -0.80 0.76 0.00 -0.55 0.00 0.00 41.25 40.67 1ws5 s ASN 20 CO 0.07 -0.03 1.36 0.29 -2.79 0.00 0.00 177.10 176.00 1ws5 n LYS 21 N 4.24 0.09 0.00 0.43 5.02 -1.26 -1.96 118.16 124.72 1ws5 n LYS 21 Ca -0.19 0.56 0.02 0.00 -2.02 0.00 0.00 58.31 56.68 1ws5 n LYS 21 Cb 0.51 -1.96 -0.01 0.00 -0.02 0.00 0.00 35.03 33.56 1ws5 n LYS 21 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1ws5 n GLU 22 N -2.01 3.50 0.00 1.97 1.02 -1.26 -4.67 120.64 119.20 1ws5 n GLU 22 Ca -0.01 -0.28 0.00 0.00 -0.02 0.00 0.00 57.16 56.85 1ws5 n GLU 22 Cb 0.17 -0.84 0.00 0.00 -0.02 0.00 0.00 31.44 30.76 1ws5 n GLU 22 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1ws5 n THR 23 N -0.61 0.00 -2.73 2.62 -2.24 -0.83 -5.03 114.28 105.46 1ws5 n THR 23 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1ws5 n THR 23 Cb 0.08 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.31 1ws5 n THR 23 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ws5 n ALA 24 N -3.00 0.00 -1.77 6.98 0.00 -1.24 -4.58 120.51 116.90 1ws5 n ALA 24 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.06 1ws5 n ALA 24 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 1ws5 n ALA 24 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1ws5 s ILE 25 N -2.89 4.16 0.00 0.00 1.01 -1.06 -2.08 121.20 120.34 1ws5 s ILE 25 Ca 0.00 1.93 0.00 0.00 0.00 0.00 0.00 60.65 62.58 1ws5 s ILE 25 Cb 0.00 -4.15 0.00 0.00 0.01 0.00 0.00 42.46 38.32 1ws5 s ILE 25 CO 0.00 0.30 0.00 0.61 0.00 0.00 0.00 174.94 175.85 1ws5 n GLY 26 N 0.97 0.26 3.83 6.18 0.00 0.31 -1.51 105.19 115.24 1ws5 n GLY 26 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1ws5 n GLY 26 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ws5 s ASP 27 N 0.15 6.58 -0.17 1.61 1.01 -1.25 -4.31 116.67 120.29 1ws5 s ASP 27 Ca 0.00 1.65 -0.06 0.00 0.71 0.00 0.00 52.55 54.84 1ws5 s ASP 27 Cb 0.00 -2.52 0.08 0.00 1.01 0.00 0.00 42.92 41.49 1ws5 s ASP 27 CO 0.00 -0.61 0.36 0.12 0.21 0.00 0.00 175.17 175.25 1ws5 s PHE 28 N -2.47 -0.65 -0.05 4.23 5.36 0.28 -2.00 117.98 122.69 1ws5 s PHE 28 Ca 0.61 1.31 -0.04 0.00 -0.96 0.00 0.00 56.93 57.85 1ws5 s PHE 28 Cb -0.11 0.19 0.01 0.00 -0.34 0.00 0.00 43.02 42.77 1ws5 s PHE 28 CO 0.27 -0.42 0.13 -1.14 -1.46 0.00 0.00 175.22 172.60 1ws5 s GLN 29 N 2.41 0.14 -0.03 10.12 0.74 0.48 -1.56 119.66 131.97 1ws5 s GLN 29 Ca -0.02 0.19 0.06 0.00 0.05 0.00 0.00 55.36 55.64 1ws5 s GLN 29 Cb -0.12 0.05 -0.01 0.00 1.10 0.00 0.00 33.01 34.03 1ws5 s GLN 29 CO -0.11 -0.03 -0.20 0.08 -0.55 0.00 0.00 175.29 174.48 1ws5 s VAL 30 N 0.15 1.57 -0.37 1.34 1.01 -1.26 0.03 120.40 122.87 1ws5 s VAL 30 Ca -0.01 -0.83 -0.11 0.00 0.00 0.00 0.00 61.98 61.03 1ws5 s VAL 30 Cb -0.02 -1.31 0.02 0.00 0.00 0.00 0.00 36.38 35.07 1ws5 s VAL 30 CO -0.00 0.44 0.22 -0.69 0.00 0.00 0.00 175.10 175.07 1ws5 s VAL 31 N -0.31 4.68 0.68 2.92 1.01 0.41 -0.81 120.40 128.98 1ws5 s VAL 31 Ca 0.04 -0.79 0.01 0.00 0.00 0.00 0.00 61.98 61.24 1ws5 s VAL 31 Cb -0.09 -3.59 0.11 0.00 0.00 0.00 0.00 36.38 32.81 1ws5 s VAL 31 CO 0.00 -0.22 0.94 -0.31 0.00 0.00 0.00 175.10 175.52 1ws5 s TYR 32 N 1.58 1.69 -0.10 5.22 1.51 0.54 -0.93 117.35 126.87 1ws5 s TYR 32 Ca 0.03 -0.31 -0.01 0.00 -1.01 0.00 0.00 57.07 55.76 1ws5 s TYR 32 Cb -0.19 -2.86 -0.03 0.00 -0.11 0.00 0.00 41.96 38.77 1ws5 s TYR 32 CO 0.07 -1.55 -0.05 0.34 -1.11 0.00 0.00 175.55 173.26 1ws5 s ASP 33 N -4.69 4.79 -0.41 2.29 2.15 -0.39 -0.30 116.67 120.11 1ws5 s ASP 33 Ca 0.65 -0.03 0.02 0.00 0.43 0.00 0.00 52.55 53.62 1ws5 s ASP 33 Cb -0.06 -1.42 0.12 0.00 -0.30 0.00 0.00 42.92 41.26 1ws5 s ASP 33 CO 0.43 0.30 0.18 -0.22 -0.17 0.00 0.00 175.17 175.70 1ws5 s LEU 34 N -0.45 3.21 -1.44 -1.34 2.96 0.91 -1.41 118.68 121.13 1ws5 s LEU 34 Ca 0.07 -2.42 -0.09 0.00 -0.22 0.00 0.00 54.13 51.47 1ws5 s LEU 34 Cb -0.12 -1.20 0.05 0.00 0.50 0.00 0.00 46.19 45.42 1ws5 s LEU 34 CO 0.02 -0.31 0.93 0.59 -1.32 0.00 0.00 176.35 176.26 1ws5 n ASN 35 N 3.85 -3.90 0.00 3.68 5.03 -1.26 -1.97 115.26 120.69 1ws5 n ASN 35 Ca 0.05 -0.76 0.00 0.00 0.87 0.00 0.00 54.58 54.74 1ws5 n ASN 35 Cb 0.37 -4.12 0.00 0.00 -1.02 0.00 0.00 39.78 35.01 1ws5 n ASN 35 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ws5 n GLY 36 N -1.68 0.90 3.39 7.41 0.00 -1.26 -5.05 105.19 108.90 1ws5 n GLY 36 Ca -0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 1ws5 n GLY 36 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ws5 s SER 37 N -2.71 3.88 0.34 1.61 0.15 -0.83 -5.09 113.70 111.04 1ws5 s SER 37 Ca 0.00 -0.31 -0.29 0.00 0.70 0.00 0.00 55.95 56.05 1ws5 s SER 37 Cb 0.00 -1.27 -0.11 0.00 -1.71 0.00 0.00 66.02 62.93 1ws5 s SER 37 CO 0.00 0.23 1.52 -2.65 1.20 0.00 0.00 173.24 173.55 1ws5 n PRO 38 N 3.06 2.65 -3.84 5.44 -0.02 -1.26 -0.06 135.00 140.97 1ws5 n PRO 38 Ca -0.18 0.94 -0.27 0.00 -2.02 0.00 0.00 63.50 61.97 1ws5 n PRO 38 Cb 0.52 -2.68 -0.17 0.00 -0.02 0.00 0.00 33.50 31.16 1ws5 n PRO 38 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1ws5 s TYR 39 N -0.64 1.42 -0.39 6.00 6.14 0.59 -4.80 117.35 125.67 1ws5 s TYR 39 Ca 0.58 -0.91 -0.29 0.00 0.64 0.00 0.00 57.07 57.09 1ws5 s TYR 39 Cb -0.49 -1.18 0.02 0.00 0.42 0.00 0.00 41.96 40.73 1ws5 s TYR 39 CO 0.57 -0.57 1.18 0.08 0.64 0.00 0.00 175.55 177.45 1ws5 s VAL 40 N 1.73 4.24 0.66 3.14 1.01 -1.26 -0.34 120.40 129.58 1ws5 s VAL 40 Ca 0.01 1.35 -0.13 0.00 0.00 0.00 0.00 61.98 63.21 1ws5 s VAL 40 Cb -0.15 -4.42 -0.00 0.00 0.00 0.00 0.00 36.38 31.80 1ws5 s VAL 40 CO -0.07 -0.73 1.07 -0.83 0.00 0.00 0.00 175.10 174.53 1ws5 s GLY 41 N 2.47 1.90 0.46 4.51 0.00 0.01 -4.98 107.32 111.69 1ws5 s GLY 41 Ca 0.50 0.28 -0.25 0.00 0.00 0.00 0.00 44.72 45.26 1ws5 s GLY 41 CO 0.26 0.61 1.42 1.62 0.00 0.00 0.00 173.10 177.00 1ws5 s GLN 42 N -4.53 3.65 -0.27 2.90 0.74 -1.26 -4.61 119.66 116.27 1ws5 s GLN 42 Ca 0.62 2.39 -0.27 0.00 0.05 0.00 0.00 55.36 58.15 1ws5 s GLN 42 Cb -0.16 -2.63 0.01 0.00 1.10 0.00 0.00 33.01 31.33 1ws5 s GLN 42 CO 0.46 -0.83 0.94 1.21 -0.55 0.00 0.00 175.29 176.52 1ws5 s ASN 43 N -0.56 6.89 -0.52 6.67 2.47 -1.26 -4.59 114.94 124.04 1ws5 s ASN 43 Ca 0.62 1.05 -0.18 0.00 0.42 0.00 0.00 52.86 54.77 1ws5 s ASN 43 Cb -0.43 -2.48 0.08 0.00 -1.45 0.00 0.00 41.25 36.97 1ws5 s ASN 43 CO 0.55 -0.67 0.56 -1.00 -3.72 0.00 0.00 177.10 172.82 1ws5 s HIS 44 N 3.17 3.12 0.07 0.43 3.76 -0.60 -4.99 115.29 120.24 1ws5 s HIS 44 Ca 0.39 -0.85 0.01 0.00 -0.15 0.00 0.00 55.06 54.47 1ws5 s HIS 44 Cb -0.14 -3.57 -0.04 0.00 1.11 0.00 0.00 32.58 29.94 1ws5 s HIS 44 CO 0.10 -1.02 0.18 0.14 -0.85 0.00 0.00 174.74 173.29 1ws5 s VAL 45 N 2.21 5.16 0.68 -0.90 -7.23 -1.26 -0.55 120.40 118.51 1ws5 s VAL 45 Ca 0.09 -0.50 -0.14 0.00 -1.81 0.00 0.00 61.98 59.62 1ws5 s VAL 45 Cb -0.23 -3.52 0.01 0.00 0.56 0.00 0.00 36.38 33.20 1ws5 s VAL 45 CO 0.08 0.13 1.11 -0.55 -0.31 0.00 0.00 175.10 175.55 1ws5 s SER 46 N -2.50 5.01 0.25 4.85 0.15 -1.26 -4.84 113.70 115.35 1ws5 s SER 46 Ca 0.33 1.97 0.25 0.00 0.70 0.00 0.00 55.95 59.20 1ws5 s SER 46 Cb -0.13 -2.55 0.91 0.00 -1.71 0.00 0.00 66.02 62.55 1ws5 s SER 46 CO 0.26 -1.70 1.75 0.49 1.20 0.00 0.00 173.24 175.24 1ws5 n PHE 47 N -2.61 0.91 -4.71 3.44 3.72 -0.30 -4.83 117.46 113.08 1ws5 n PHE 47 Ca 0.10 0.31 -0.31 0.00 -0.05 0.00 0.00 57.45 57.50 1ws5 n PHE 47 Cb 0.52 -1.01 -0.08 0.00 -0.94 0.00 0.00 39.48 37.97 1ws5 n PHE 47 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 1ws5 s ILE 48 N -3.23 1.32 0.13 4.37 -4.36 -1.26 -5.04 121.20 113.12 1ws5 s ILE 48 Ca 0.07 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.46 1ws5 s ILE 48 Cb 0.10 -2.37 0.00 0.00 1.25 0.00 0.00 42.46 41.45 1ws5 s ILE 48 CO 0.49 0.00 0.00 0.35 0.24 0.00 0.00 174.94 176.02 1ws5 n THR 49 N -1.17 0.00 -0.13 8.37 -2.24 -1.26 -4.89 114.28 112.96 1ws5 n THR 49 Ca -0.15 -0.60 0.00 0.00 -2.27 0.00 0.00 64.05 61.03 1ws5 n THR 49 Cb 0.67 0.11 0.00 0.00 -2.10 0.00 0.00 70.33 69.01 1ws5 n THR 49 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ws5 n GLY 50 N 3.49 0.93 3.93 3.38 0.00 -1.26 -5.09 105.19 110.57 1ws5 n GLY 50 Ca -0.05 -0.07 -0.25 0.00 0.00 0.00 0.00 46.02 45.64 1ws5 n GLY 50 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ws5 s PHE 51 N -2.00 3.49 -0.27 1.61 0.08 -1.26 -4.83 117.98 114.80 1ws5 s PHE 51 Ca 0.00 0.38 -0.11 0.00 0.12 0.00 0.00 56.93 57.32 1ws5 s PHE 51 Cb 0.00 -1.91 -0.05 0.00 -0.57 0.00 0.00 43.02 40.50 1ws5 s PHE 51 CO 0.00 0.20 0.18 0.99 -0.10 0.00 0.00 175.22 176.48 1ws5 s THR 52 N -2.18 5.26 0.36 0.64 2.01 0.17 -4.83 115.64 117.07 1ws5 s THR 52 Ca 0.40 0.15 -0.25 0.00 0.31 0.00 0.00 61.69 62.31 1ws5 s THR 52 Cb -0.10 -3.50 -0.10 0.00 0.01 0.00 0.00 72.50 68.81 1ws5 s THR 52 CO 0.33 0.27 0.97 -2.16 -0.69 0.00 0.00 174.62 173.34 1ws5 s PRO 53 N 1.66 4.43 -0.01 4.92 0.04 -1.26 -1.43 135.00 143.36 1ws5 s PRO 53 Ca 0.07 1.32 0.02 0.00 0.04 0.00 0.00 61.00 62.45 1ws5 s PRO 53 Cb -0.16 -2.62 -0.00 0.00 0.04 0.00 0.00 34.50 31.76 1ws5 s PRO 53 CO 0.10 0.14 -0.08 0.08 0.04 0.00 0.00 177.00 177.27 1ws5 s VAL 54 N -1.75 0.64 -0.18 -0.36 1.01 0.12 -4.97 120.40 114.93 1ws5 s VAL 54 Ca 0.54 -0.34 0.01 0.00 0.00 0.00 0.00 61.98 62.19 1ws5 s VAL 54 Cb -0.17 -0.55 0.02 0.00 0.00 0.00 0.00 36.38 35.68 1ws5 s VAL 54 CO 0.22 0.19 -0.17 -0.75 0.00 0.00 0.00 175.10 174.59 1ws5 s LYS 55 N -0.11 2.71 -0.44 2.72 2.20 -1.26 -1.85 119.74 123.71 1ws5 s LYS 55 Ca 0.02 -0.80 -0.10 0.00 -0.36 0.00 0.00 55.97 54.73 1ws5 s LYS 55 Cb -0.04 -2.47 0.09 0.00 -1.51 0.00 0.00 37.83 33.91 1ws5 s LYS 55 CO -0.00 -0.26 0.30 0.42 -0.36 0.00 0.00 175.35 175.46 1ws5 s ILE 56 N 1.33 4.29 -0.40 5.43 1.09 0.79 -4.98 121.20 128.74 1ws5 s ILE 56 Ca 0.04 -1.53 -0.15 0.00 -1.10 0.00 0.00 60.65 57.91 1ws5 s ILE 56 Cb -0.14 -3.70 0.02 0.00 -1.06 0.00 0.00 42.46 37.58 1ws5 s ILE 56 CO -0.12 -0.62 0.29 -0.44 -0.10 0.00 0.00 174.94 173.95 1ws5 s SER 57 N 2.38 6.07 0.34 3.58 0.01 -1.26 -0.70 113.70 124.12 1ws5 s SER 57 Ca 0.04 -0.89 -0.14 0.00 1.31 0.00 0.00 55.95 56.27 1ws5 s SER 57 Cb -0.24 -2.15 -0.09 0.00 0.21 0.00 0.00 66.02 63.75 1ws5 s SER 57 CO 0.01 -0.44 0.75 -0.76 0.41 0.00 0.00 173.24 173.22 1ws5 s LEU 58 N 1.67 4.02 -1.39 2.44 1.43 -0.41 -4.97 118.68 121.47 1ws5 s LEU 58 Ca 0.05 1.28 -0.10 0.00 -1.03 0.00 0.00 54.13 54.32 1ws5 s LEU 58 Cb -0.19 -4.09 0.09 0.00 0.03 0.00 0.00 46.19 42.02 1ws5 s LEU 58 CO 0.10 -0.25 2.23 -0.67 0.23 0.00 0.00 176.35 177.99 1ws5 n ASP 59 N -0.53 5.90 -4.77 2.29 2.03 -1.26 -4.87 116.55 115.34 1ws5 n ASP 59 Ca 0.04 -2.97 -0.41 0.00 0.52 0.00 0.00 54.79 51.97 1ws5 n ASP 59 Cb 0.53 -1.51 -0.01 0.00 -0.72 0.00 0.00 41.12 39.41 1ws5 n ASP 59 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1ws5 s PHE 60 N 1.06 2.88 -2.50 -0.67 5.36 -1.26 -0.96 117.98 121.90 1ws5 s PHE 60 Ca 0.49 1.26 0.25 0.00 -0.96 0.00 0.00 56.93 57.97 1ws5 s PHE 60 Cb 0.14 -3.82 0.43 0.00 -0.34 0.00 0.00 43.02 39.42 1ws5 s PHE 60 CO -0.05 -2.39 1.38 -0.35 -1.46 0.00 0.00 175.22 172.35 1ws5 n PRO 61 N 0.93 1.72 0.20 10.12 -0.04 -1.26 -4.87 135.00 141.80 1ws5 n PRO 61 Ca 0.01 -1.30 0.04 0.00 -0.04 0.00 0.00 63.50 62.22 1ws5 n PRO 61 Cb 0.41 -1.47 0.41 0.00 -0.04 0.00 0.00 33.50 32.80 1ws5 n PRO 61 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1ws5 h SER 62 N 3.16 0.00 -3.28 3.54 4.64 -1.81 -3.42 113.55 116.39 1ws5 h SER 62 Ca 0.00 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.69 1ws5 h SER 62 Cb 0.76 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 62.67 1ws5 h SER 62 CO 0.00 0.33 -0.60 -0.70 -0.87 0.00 0.00 176.83 174.99 1ws5 s GLU 63 N -4.20 3.82 0.03 4.77 2.12 -0.13 -4.95 118.70 120.16 1ws5 s GLU 63 Ca -0.03 -0.40 -0.11 0.00 0.36 0.00 0.00 54.97 54.79 1ws5 s GLU 63 Cb 0.14 -3.09 0.01 0.00 0.26 0.00 0.00 34.13 31.45 1ws5 s GLU 63 CO 0.71 0.29 0.24 1.52 -0.54 0.00 0.00 175.26 177.48 1ws5 s TYR 64 N 0.28 -0.03 0.11 5.30 1.13 -1.26 -4.30 117.35 118.57 1ws5 s TYR 64 Ca 0.01 -0.10 -0.31 0.00 -1.41 0.00 0.00 57.07 55.26 1ws5 s TYR 64 Cb -0.13 0.02 -0.08 0.00 -1.10 0.00 0.00 41.96 40.67 1ws5 s TYR 64 CO 0.01 -0.42 1.49 0.42 -2.51 0.00 0.00 175.55 174.54 1ws5 s ILE 65 N -2.20 3.11 -0.02 -3.49 1.01 -1.26 -2.40 121.20 115.95 1ws5 s ILE 65 Ca -0.08 0.73 0.12 0.00 0.00 0.00 0.00 60.65 61.42 1ws5 s ILE 65 Cb -0.03 -3.47 -0.19 0.00 0.01 0.00 0.00 42.46 38.79 1ws5 s ILE 65 CO -0.02 0.04 0.26 0.23 0.00 0.00 0.00 174.94 175.45 1ws5 n MET 66 N 4.46 0.37 -3.66 2.79 2.81 0.12 -4.76 117.12 119.25 1ws5 n MET 66 Ca 0.13 -0.11 -0.13 0.00 -1.81 0.00 0.00 57.70 55.78 1ws5 n MET 66 Cb 0.41 -1.28 -0.08 0.00 -0.71 0.00 0.00 33.22 31.56 1ws5 n MET 66 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 1ws5 s GLU 67 N -2.83 0.71 -0.07 0.03 2.12 -0.75 -0.44 118.70 117.46 1ws5 s GLU 67 Ca -0.04 0.90 0.04 0.00 0.36 0.00 0.00 54.97 56.23 1ws5 s GLU 67 Cb 0.08 0.31 -0.00 0.00 0.26 0.00 0.00 34.13 34.78 1ws5 s GLU 67 CO 0.50 -0.10 -0.21 0.08 -0.54 0.00 0.00 175.26 174.99 1ws5 s VAL 68 N 0.51 1.81 0.19 3.70 1.01 -0.84 -0.93 120.40 125.86 1ws5 s VAL 68 Ca -0.01 -0.90 -0.03 0.00 0.00 0.00 0.00 61.98 61.04 1ws5 s VAL 68 Cb -0.05 -1.57 -0.03 0.00 0.00 0.00 0.00 36.38 34.73 1ws5 s VAL 68 CO -0.02 0.51 0.16 -0.94 0.00 0.00 0.00 175.10 174.81 1ws5 s SER 69 N 0.20 0.15 0.00 3.32 1.04 -0.65 0.39 113.70 118.15 1ws5 s SER 69 Ca -0.12 -1.27 0.00 0.00 0.48 0.00 0.00 55.95 55.04 1ws5 s SER 69 Cb -0.15 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.35 1ws5 s SER 69 CO 0.06 -0.85 0.00 0.61 0.98 0.00 0.00 173.24 174.03 1ws5 n GLY 70 N -0.24 -1.02 3.02 7.32 0.00 -0.60 -0.79 105.19 112.88 1ws5 n GLY 70 Ca -0.00 -0.85 -0.14 0.00 0.00 0.00 0.00 46.02 45.02 1ws5 n GLY 70 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ws5 s TYR 71 N -3.00 0.59 -0.03 1.61 1.51 -1.02 -1.33 117.35 115.68 1ws5 s TYR 71 Ca 0.00 -0.33 0.07 0.00 -1.01 0.00 0.00 57.07 55.80 1ws5 s TYR 71 Cb 0.00 -0.36 -0.02 0.00 -0.11 0.00 0.00 41.96 41.47 1ws5 s TYR 71 CO 0.00 -0.05 -0.24 0.95 -1.11 0.00 0.00 175.55 175.10 1ws5 s THR 72 N -0.86 2.21 0.24 -0.71 -4.23 -0.27 -0.66 115.64 111.37 1ws5 s THR 72 Ca -0.05 -1.05 -0.21 0.00 -1.18 0.00 0.00 61.69 59.20 1ws5 s THR 72 Cb -0.07 -1.78 0.06 0.00 1.34 0.00 0.00 72.50 72.06 1ws5 s THR 72 CO 0.00 0.58 0.92 -0.83 -0.54 0.00 0.00 174.62 174.76 1ws5 s GLY 73 N -0.62 0.09 -0.01 3.99 0.00 -0.31 -0.60 107.32 109.85 1ws5 s GLY 73 Ca 0.10 -0.34 -0.24 0.00 0.00 0.00 0.00 44.72 44.24 1ws5 s GLY 73 CO -0.01 0.88 0.72 0.21 0.00 0.00 0.00 173.10 174.90 1ws5 s ASN 74 N -3.16 7.09 -0.13 1.64 2.47 -1.26 -0.83 114.94 120.76 1ws5 s ASN 74 Ca 0.17 1.30 -0.03 0.00 0.42 0.00 0.00 52.86 54.72 1ws5 s ASN 74 Cb -0.03 -2.43 0.05 0.00 -1.45 0.00 0.00 41.25 37.38 1ws5 s ASN 74 CO 0.06 -0.04 0.04 -0.69 -3.72 0.00 0.00 177.10 172.75 1ws5 s VAL 75 N 0.36 0.24 -1.44 -5.21 1.01 0.79 -4.81 120.40 111.34 1ws5 s VAL 75 Ca 0.38 -0.12 -0.03 0.00 0.00 0.00 0.00 61.98 62.21 1ws5 s VAL 75 Cb -0.19 -0.65 0.01 0.00 0.00 0.00 0.00 36.38 35.56 1ws5 s VAL 75 CO 0.20 -0.03 0.26 -1.20 0.00 0.00 0.00 175.10 174.33 1ws5 n SER 76 N 5.17 -5.07 0.00 3.32 7.64 -1.26 -1.16 113.62 122.26 1ws5 n SER 76 Ca -0.07 -0.10 0.00 0.00 1.01 0.00 0.00 58.87 59.71 1ws5 n SER 76 Cb 0.49 -4.20 0.00 0.00 -1.01 0.00 0.00 64.21 59.49 1ws5 n SER 76 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ws5 n GLY 77 N -1.13 0.90 3.52 0.23 0.00 -1.26 -5.04 105.19 102.40 1ws5 n GLY 77 Ca -0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 1ws5 n GLY 77 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ws5 s TYR 78 N -3.03 2.93 -0.27 1.61 2.02 -0.31 -5.07 117.35 115.24 1ws5 s TYR 78 Ca 0.00 -0.17 -0.25 0.00 -0.37 0.00 0.00 57.07 56.29 1ws5 s TYR 78 Cb 0.00 -1.79 -0.00 0.00 -0.40 0.00 0.00 41.96 39.77 1ws5 s TYR 78 CO 0.00 0.15 0.83 0.08 -1.57 0.00 0.00 175.55 175.04 1ws5 s VAL 79 N -0.33 4.80 0.25 0.71 1.01 -1.26 -0.15 120.40 125.44 1ws5 s VAL 79 Ca 0.04 1.47 0.02 0.00 0.00 0.00 0.00 61.98 63.52 1ws5 s VAL 79 Cb -0.13 -4.15 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 1ws5 s VAL 79 CO 0.02 -0.15 0.17 0.68 0.00 0.00 0.00 175.10 175.82 1ws5 s VAL 80 N 2.93 0.09 -0.45 2.92 -7.23 -0.01 -4.79 120.40 113.86 1ws5 s VAL 80 Ca 0.35 -2.00 -0.26 0.00 -1.81 0.00 0.00 61.98 58.26 1ws5 s VAL 80 Cb -0.15 -2.51 0.03 0.00 0.56 0.00 0.00 36.38 34.31 1ws5 s VAL 80 CO 0.09 0.00 0.95 -0.69 -0.31 0.00 0.00 175.10 175.14 1ws5 s VAL 81 N -3.87 4.46 -0.18 1.32 1.01 0.12 -1.16 120.40 122.09 1ws5 s VAL 81 Ca 0.39 0.87 0.19 0.00 0.00 0.00 0.00 61.98 63.42 1ws5 s VAL 81 Cb 0.06 -4.44 -0.04 0.00 0.00 0.00 0.00 36.38 31.96 1ws5 s VAL 81 CO 0.17 -0.81 1.02 0.03 0.00 0.00 0.00 175.10 175.51 1ws5 h ARG 82 N 9.00 0.00 -2.99 2.72 3.08 -1.17 -2.81 114.38 122.21 1ws5 h ARG 82 Ca -0.24 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.71 1ws5 h ARG 82 Cb 1.07 0.00 -0.19 0.00 0.08 0.00 0.00 29.97 30.94 1ws5 h ARG 82 CO 1.03 0.20 -0.19 0.45 -1.07 0.00 0.00 179.97 180.39 1ws5 s SER 83 N -5.75 -0.24 0.01 7.04 0.15 -1.17 -1.47 113.70 112.27 1ws5 s SER 83 Ca -0.01 0.07 -0.01 0.00 0.70 0.00 0.00 55.95 56.71 1ws5 s SER 83 Cb 0.09 0.37 -0.01 0.00 -1.71 0.00 0.00 66.02 64.75 1ws5 s SER 83 CO 0.79 -0.55 -0.00 -0.76 1.20 0.00 0.00 173.24 173.92 1ws5 s LEU 84 N -1.62 2.07 -0.02 3.45 1.43 -0.80 -2.44 118.68 120.75 1ws5 s LEU 84 Ca -0.10 -0.22 0.00 0.00 -1.03 0.00 0.00 54.13 52.79 1ws5 s LEU 84 Cb -0.03 0.09 0.02 0.00 0.03 0.00 0.00 46.19 46.31 1ws5 s LEU 84 CO 0.02 -0.15 0.00 -0.89 0.23 0.00 0.00 176.35 175.56 1ws5 s THR 85 N -0.71 0.11 -0.19 5.49 2.01 0.03 -1.03 115.64 121.36 1ws5 s THR 85 Ca -0.08 0.08 -0.00 0.00 0.31 0.00 0.00 61.69 62.00 1ws5 s THR 85 Cb -0.05 -0.20 0.01 0.00 0.01 0.00 0.00 72.50 72.27 1ws5 s THR 85 CO -0.00 0.11 -0.15 -0.36 -0.69 0.00 0.00 174.62 173.53 1ws5 s PHE 86 N 0.80 2.83 -0.20 4.92 0.40 0.24 -1.64 117.98 125.32 1ws5 s PHE 86 Ca -0.08 -1.34 -0.04 0.00 -0.60 0.00 0.00 56.93 54.87 1ws5 s PHE 86 Cb -0.11 -1.96 -0.01 0.00 0.51 0.00 0.00 43.02 41.45 1ws5 s PHE 86 CO -0.02 -0.68 -0.04 0.21 0.70 0.00 0.00 175.22 175.40 1ws5 s LYS 87 N 1.25 3.45 0.38 0.44 2.20 -0.10 0.50 119.74 127.86 1ws5 s LYS 87 Ca 0.03 -0.60 0.05 0.00 -0.36 0.00 0.00 55.97 55.09 1ws5 s LYS 87 Cb -0.14 -2.98 0.05 0.00 -1.51 0.00 0.00 37.83 33.25 1ws5 s LYS 87 CO -0.08 -0.08 0.38 0.25 -0.36 0.00 0.00 175.35 175.47 1ws5 n THR 88 N 4.45 0.00 1.62 3.43 -2.24 0.50 0.11 114.28 122.15 1ws5 n THR 88 Ca -0.18 -1.39 0.14 0.00 -2.27 0.00 0.00 64.05 60.35 1ws5 n THR 88 Cb 0.51 -0.39 0.79 0.00 -2.10 0.00 0.00 70.33 69.14 1ws5 n THR 88 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1ws5 n ASN 89 N -2.17 0.00 -0.01 3.42 6.94 -1.01 -3.87 115.26 118.56 1ws5 n ASN 89 Ca 0.04 -0.66 -0.01 0.00 -0.02 0.00 0.00 54.58 53.93 1ws5 n ASN 89 Cb 0.41 -0.08 -0.01 0.00 -2.36 0.00 0.00 39.78 37.74 1ws5 n ASN 89 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1ws5 n LYS 90 N -1.08 0.54 -4.04 -3.83 5.02 -1.26 -5.05 118.16 108.45 1ws5 n LYS 90 Ca 0.19 0.01 -0.12 0.00 -2.02 0.00 0.00 58.31 56.36 1ws5 n LYS 90 Cb 0.13 -1.03 -0.04 0.00 -0.02 0.00 0.00 35.03 34.07 1ws5 n LYS 90 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1ws5 s LYS 91 N -2.03 1.75 -0.14 1.97 1.02 -1.25 -5.15 119.74 115.92 1ws5 s LYS 91 Ca -0.02 -1.54 0.01 0.00 0.02 0.00 0.00 55.97 54.45 1ws5 s LYS 91 Cb 0.00 0.45 -0.00 0.00 -0.52 0.00 0.00 37.83 37.77 1ws5 s LYS 91 CO 0.03 -0.73 -0.17 0.99 -0.92 0.00 0.00 175.35 174.56 1ws5 s THR 92 N -3.44 2.61 -0.26 2.17 2.01 -1.26 -0.37 115.64 117.11 1ws5 s THR 92 Ca 0.27 -0.80 -0.04 0.00 0.31 0.00 0.00 61.69 61.43 1ws5 s THR 92 Cb -0.00 -2.08 0.01 0.00 0.01 0.00 0.00 72.50 70.44 1ws5 s THR 92 CO 0.15 0.53 -0.01 -0.31 -0.69 0.00 0.00 174.62 174.29 1ws5 s TYR 93 N 0.61 3.07 0.00 4.92 1.51 0.18 -4.99 117.35 122.66 1ws5 s TYR 93 Ca -0.09 -1.22 0.00 0.00 -1.01 0.00 0.00 57.07 54.75 1ws5 s TYR 93 Cb -0.16 -2.14 0.00 0.00 -0.11 0.00 0.00 41.96 39.55 1ws5 s TYR 93 CO 0.03 -0.64 0.00 0.41 -1.11 0.00 0.00 175.55 174.24 1ws5 n GLY 94 N 4.77 -0.40 3.76 0.71 0.00 -1.26 -0.59 105.19 112.17 1ws5 n GLY 94 Ca -0.16 -2.21 -0.38 0.00 0.00 0.00 0.00 46.02 43.27 1ws5 n GLY 94 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ws5 s PRO 95 N 0.00 3.63 -0.18 1.61 0.04 -1.26 -4.97 135.00 133.86 1ws5 s PRO 95 Ca 0.00 1.96 -0.01 0.00 0.04 0.00 0.00 61.00 62.99 1ws5 s PRO 95 Cb 0.00 -2.43 -0.00 0.00 0.04 0.00 0.00 34.50 32.11 1ws5 s PRO 95 CO 0.00 -0.71 -0.12 0.71 0.04 0.00 0.00 177.00 176.92 1ws5 s TYR 96 N -1.43 2.85 0.00 0.56 2.02 -0.19 -4.96 117.35 116.19 1ws5 s TYR 96 Ca 0.64 -1.09 0.00 0.00 -0.37 0.00 0.00 57.07 56.25 1ws5 s TYR 96 Cb -0.33 -1.97 0.00 0.00 -0.40 0.00 0.00 41.96 39.25 1ws5 s TYR 96 CO 0.40 -0.55 0.00 0.41 -1.57 0.00 0.00 175.55 174.25 1ws5 n GLY 97 N 4.40 0.26 3.21 0.71 0.00 -1.26 -1.91 105.19 110.60 1ws5 n GLY 97 Ca -0.19 -1.89 -0.33 0.00 0.00 0.00 0.00 46.02 43.60 1ws5 n GLY 97 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ws5 s VAL 98 N 0.00 2.54 -1.38 1.61 1.01 -0.54 -4.82 120.40 118.82 1ws5 s VAL 98 Ca 0.00 -0.79 -0.07 0.00 0.00 0.00 0.00 61.98 61.12 1ws5 s VAL 98 Cb 0.00 -2.09 0.09 0.00 0.00 0.00 0.00 36.38 34.38 1ws5 s VAL 98 CO 0.00 0.51 2.38 0.35 0.00 0.00 0.00 175.10 178.34 1ws5 n THR 99 N 4.47 4.83 -4.63 3.92 -2.24 -1.26 -3.84 114.28 115.53 1ws5 n THR 99 Ca -0.20 -3.97 -0.22 0.00 -2.27 0.00 0.00 64.05 57.39 1ws5 n THR 99 Cb 0.51 -2.25 -0.15 0.00 -2.10 0.00 0.00 70.33 66.34 1ws5 n THR 99 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1ws5 s SER 100 N 0.91 1.68 0.00 3.42 0.15 -1.26 -5.06 113.70 113.54 1ws5 s SER 100 Ca 0.54 -0.28 0.00 0.00 0.70 0.00 0.00 55.95 56.91 1ws5 s SER 100 Cb 0.16 -0.18 0.00 0.00 -1.71 0.00 0.00 66.02 64.29 1ws5 s SER 100 CO -0.07 0.16 0.00 0.61 1.20 0.00 0.00 173.24 175.14 1ws5 n GLY 101 N 2.65 0.03 3.51 9.45 0.00 -1.26 -4.44 105.19 115.13 1ws5 n GLY 101 Ca -0.15 -1.84 -0.36 0.00 0.00 0.00 0.00 46.02 43.67 1ws5 n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ws5 s THR 102 N 0.00 4.60 0.63 2.61 2.01 0.23 -4.90 115.64 120.81 1ws5 s THR 102 Ca 0.00 -0.08 -0.11 0.00 0.31 0.00 0.00 61.69 61.81 1ws5 s THR 102 Cb 0.00 -3.14 -0.03 0.00 0.01 0.00 0.00 72.50 69.33 1ws5 s THR 102 CO 0.00 0.35 1.03 -2.16 -0.69 0.00 0.00 174.62 173.15 1ws5 s PRO 103 N 1.40 3.50 0.03 4.92 0.04 -1.26 -1.11 135.00 142.51 1ws5 s PRO 103 Ca 0.06 0.79 -0.14 0.00 0.04 0.00 0.00 61.00 61.75 1ws5 s PRO 103 Cb -0.15 -2.07 0.02 0.00 0.04 0.00 0.00 34.50 32.35 1ws5 s PRO 103 CO 0.05 -0.65 0.31 -0.59 0.04 0.00 0.00 177.00 176.15 1ws5 s PHE 104 N -3.14 -0.13 -0.16 0.56 -0.12 -0.45 -4.92 117.98 109.63 1ws5 s PHE 104 Ca 0.56 0.06 -0.23 0.00 -0.05 0.00 0.00 56.93 57.26 1ws5 s PHE 104 Cb -0.11 0.10 0.06 0.00 -0.63 0.00 0.00 43.02 42.43 1ws5 s PHE 104 CO 0.53 -0.47 0.60 0.54 -0.05 0.00 0.00 175.22 176.37 1ws5 s ASN 105 N -1.85 -0.60 -0.38 1.98 4.22 -1.26 -1.55 114.94 115.49 1ws5 s ASN 105 Ca -0.07 0.99 0.01 0.00 -2.14 0.00 0.00 52.86 51.65 1ws5 s ASN 105 Cb -0.02 0.97 0.12 0.00 1.28 0.00 0.00 41.25 43.60 1ws5 s ASN 105 CO -0.01 -0.34 0.16 -0.22 -2.04 0.00 0.00 177.10 174.65 1ws5 s LEU 106 N -0.23 2.85 0.20 3.54 2.96 0.16 -4.99 118.68 123.17 1ws5 s LEU 106 Ca -0.04 -2.19 -0.18 0.00 -0.22 0.00 0.00 54.13 51.49 1ws5 s LEU 106 Cb -0.03 -1.07 -0.08 0.00 0.50 0.00 0.00 46.19 45.51 1ws5 s LEU 106 CO 0.04 -0.34 0.67 -2.84 -1.32 0.00 0.00 176.35 172.56 1ws5 s PRO 107 N 0.90 4.18 -0.18 0.98 0.02 -1.26 -1.98 135.00 137.65 1ws5 s PRO 107 Ca 0.14 0.76 0.01 0.00 0.02 0.00 0.00 61.00 61.93 1ws5 s PRO 107 Cb -0.21 -2.91 0.02 0.00 0.02 0.00 0.00 34.50 31.42 1ws5 s PRO 107 CO -0.11 0.42 -0.19 0.42 -0.33 0.00 0.00 177.00 177.22 1ws5 s ILE 108 N -1.49 2.16 -0.03 2.83 -1.09 0.41 -4.98 121.20 119.01 1ws5 s ILE 108 Ca 0.41 -0.92 -0.12 0.00 -2.23 0.00 0.00 60.65 57.79 1ws5 s ILE 108 Cb -0.16 -1.92 -0.32 0.00 -1.58 0.00 0.00 42.46 38.48 1ws5 s ILE 108 CO 0.20 0.52 0.74 -0.33 -1.23 0.00 0.00 174.94 174.85 1ws5 h GLU 109 N 7.95 0.42 -3.01 2.79 5.08 -1.98 -3.46 114.58 122.37 1ws5 h GLU 109 Ca -0.45 -0.73 -0.23 0.00 -1.00 0.00 0.00 59.36 56.95 1ws5 h GLU 109 Cb 1.14 0.27 -0.32 0.00 0.50 0.00 0.00 28.75 30.34 1ws5 h GLU 109 CO 0.63 1.34 -0.55 1.21 -1.00 0.00 0.00 179.01 180.65 1ws5 s ASN 110 N -7.35 0.17 0.00 1.42 3.04 -1.26 -5.13 114.94 105.83 1ws5 s ASN 110 Ca -0.14 0.48 0.00 0.00 0.04 0.00 0.00 52.86 53.24 1ws5 s ASN 110 Cb 0.05 0.45 0.00 0.00 -1.54 0.00 0.00 41.25 40.22 1ws5 s ASN 110 CO 0.87 -0.20 0.00 0.61 -3.04 0.00 0.00 177.10 175.34 1ws5 n GLY 111 N 4.83 0.98 3.03 1.21 0.00 -1.26 -4.97 105.19 109.01 1ws5 n GLY 111 Ca -0.15 -2.20 -0.10 0.00 0.00 0.00 0.00 46.02 43.58 1ws5 n GLY 111 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ws5 s LEU 112 N 0.00 2.00 -0.13 0.99 1.43 0.15 -4.96 118.68 118.16 1ws5 s LEU 112 Ca 0.00 -0.43 -0.25 0.00 -1.03 0.00 0.00 54.13 52.42 1ws5 s LEU 112 Cb 0.00 0.32 -0.02 0.00 0.03 0.00 0.00 46.19 46.52 1ws5 s LEU 112 CO 0.00 -0.35 0.81 -0.63 0.23 0.00 0.00 176.35 176.41 1ws5 s ILE 113 N -1.60 4.92 -0.03 -0.59 1.01 -1.26 -0.99 121.20 122.66 1ws5 s ILE 113 Ca -0.14 1.62 0.05 0.00 0.00 0.00 0.00 60.65 62.18 1ws5 s ILE 113 Cb -0.08 -4.13 0.07 0.00 0.01 0.00 0.00 42.46 38.33 1ws5 s ILE 113 CO -0.01 0.09 0.94 1.33 0.00 0.00 0.00 174.94 177.30 1ws5 n VAL 114 N 4.43 0.93 0.00 2.92 0.24 0.13 -4.52 118.33 122.46 1ws5 n VAL 114 Ca 0.03 -1.02 0.00 0.00 -2.04 0.00 0.00 64.34 61.31 1ws5 n VAL 114 Cb 0.50 0.42 0.00 0.00 -1.47 0.00 0.00 33.84 33.28 1ws5 n VAL 114 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ws5 n GLY 115 N -0.58 0.78 3.10 7.63 0.00 -1.24 0.00 105.19 114.88 1ws5 n GLY 115 Ca 0.04 -0.67 -0.13 0.00 0.00 0.00 0.00 46.02 45.26 1ws5 n GLY 115 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ws5 s PHE 116 N -2.00 0.80 0.10 1.61 0.08 -1.25 -1.31 117.98 116.01 1ws5 s PHE 116 Ca 0.00 -0.59 -0.13 0.00 0.12 0.00 0.00 56.93 56.33 1ws5 s PHE 116 Cb 0.00 -0.46 0.02 0.00 -0.57 0.00 0.00 43.02 42.00 1ws5 s PHE 116 CO 0.00 -0.08 0.30 -1.59 -0.10 0.00 0.00 175.22 173.76 1ws5 s LYS 117 N -2.14 0.96 0.00 0.44 -2.85 -0.99 -1.17 119.74 113.99 1ws5 s LYS 117 Ca -0.04 -0.80 0.00 0.00 -1.00 0.00 0.00 55.97 54.13 1ws5 s LYS 117 Cb -0.06 0.41 0.00 0.00 -2.06 0.00 0.00 37.83 36.11 1ws5 s LYS 117 CO -0.00 -0.34 0.00 0.41 0.10 0.00 0.00 175.35 175.51 1ws5 n GLY 118 N -0.11 -0.62 3.36 0.59 0.00 -0.22 -0.69 105.19 107.49 1ws5 n GLY 118 Ca -0.16 -0.56 -0.13 0.00 0.00 0.00 0.00 46.02 45.18 1ws5 n GLY 118 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ws5 s SER 119 N -4.00 -0.51 -0.06 1.61 0.15 -0.75 -0.51 113.70 109.64 1ws5 s SER 119 Ca 0.00 0.95 0.01 0.00 0.70 0.00 0.00 55.95 57.61 1ws5 s SER 119 Cb 0.00 0.94 0.02 0.00 -1.71 0.00 0.00 66.02 65.27 1ws5 s SER 119 CO 0.00 -0.17 -0.06 -0.63 1.20 0.00 0.00 173.24 173.58 1ws5 s ILE 120 N 0.47 0.72 0.00 6.45 1.01 -0.63 -0.10 121.20 129.11 1ws5 s ILE 120 Ca -0.02 -0.21 0.00 0.00 0.00 0.00 0.00 60.65 60.42 1ws5 s ILE 120 Cb -0.04 -0.72 0.00 0.00 0.01 0.00 0.00 42.46 41.71 1ws5 s ILE 120 CO -0.02 0.27 0.00 0.61 0.00 0.00 0.00 174.94 175.80 1ws5 n GLY 121 N 4.14 1.32 0.21 6.18 0.00 -1.26 -0.43 105.19 115.34 1ws5 n GLY 121 Ca -0.22 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.68 1ws5 n GLY 121 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1ws5 h TYR 122 N 0.00 0.79 -3.99 1.61 -1.99 -1.94 -0.79 116.97 110.66 1ws5 h TYR 122 Ca 0.00 -0.31 -0.34 0.00 2.00 0.00 0.00 58.73 60.08 1ws5 h TYR 122 Cb 0.00 -0.14 -0.14 0.00 2.00 0.00 0.00 36.73 38.45 1ws5 h TYR 122 CO 0.00 1.09 -0.60 -1.58 -0.00 0.00 0.00 178.16 177.06 1ws5 s TRP 123 N -3.87 1.47 -0.39 4.88 0.51 -1.26 -4.47 118.94 115.81 1ws5 s TRP 123 Ca -0.08 -1.26 -0.28 0.00 -2.12 0.00 0.00 56.10 52.36 1ws5 s TRP 123 Cb 0.10 -0.82 -0.02 0.00 -0.81 0.00 0.00 33.47 31.92 1ws5 s TRP 123 CO 0.86 -0.44 1.87 -1.17 -0.51 0.00 0.00 176.95 177.57 1ws5 s LEU 124 N -3.29 3.45 0.01 2.99 2.96 -0.57 -4.42 118.68 119.82 1ws5 s LEU 124 Ca 0.38 1.14 -0.24 0.00 -0.22 0.00 0.00 54.13 55.19 1ws5 s LEU 124 Cb 0.07 -3.26 -0.17 0.00 0.50 0.00 0.00 46.19 43.33 1ws5 s LEU 124 CO 0.14 -1.93 1.36 0.44 -1.32 0.00 0.00 176.35 175.05 1ws5 h ASP 125 N 13.83 0.12 -5.15 3.68 3.32 -0.82 0.36 116.42 131.77 1ws5 h ASP 125 Ca -0.32 -0.41 0.14 0.00 0.02 0.00 0.00 57.03 56.46 1ws5 h ASP 125 Cb 1.18 -0.03 -0.09 0.00 0.22 0.00 0.00 39.33 40.60 1ws5 h ASP 125 CO 1.07 0.51 0.44 -0.72 -1.72 0.00 0.00 179.24 178.82 1ws5 s TYR 126 N -4.57 -0.20 0.10 4.55 -0.85 -1.23 -4.12 117.35 111.03 1ws5 s TYR 126 Ca -0.15 -0.10 -0.25 0.00 -0.52 0.00 0.00 57.07 56.06 1ws5 s TYR 126 Cb 0.03 0.63 0.07 0.00 0.38 0.00 0.00 41.96 43.07 1ws5 s TYR 126 CO 0.70 -0.84 0.60 -0.59 -1.52 0.00 0.00 175.55 173.90 1ws5 s PHE 127 N -3.37 -0.54 0.18 -3.49 -0.71 -1.26 -1.81 117.98 106.98 1ws5 s PHE 127 Ca 0.10 0.52 0.03 0.00 -1.04 0.00 0.00 56.93 56.54 1ws5 s PHE 127 Cb -0.02 0.49 -0.05 0.00 -1.21 0.00 0.00 43.02 42.23 1ws5 s PHE 127 CO 0.00 -0.76 -0.01 -1.12 -1.34 0.00 0.00 175.22 171.98 1ws5 s SER 128 N -2.29 1.44 -0.00 1.98 0.01 0.13 -4.96 113.70 110.00 1ws5 s SER 128 Ca -0.02 -1.16 0.04 0.00 1.31 0.00 0.00 55.95 56.11 1ws5 s SER 128 Cb -0.01 0.07 -0.01 0.00 0.21 0.00 0.00 66.02 66.29 1ws5 s SER 128 CO -0.06 -0.52 -0.13 -0.04 0.41 0.00 0.00 173.24 172.90 1ws5 s MET 129 N -3.88 1.01 -0.01 12.44 -1.94 -1.26 -2.34 119.30 123.31 1ws5 s MET 129 Ca 0.24 -0.50 -0.21 0.00 -1.71 0.00 0.00 55.69 53.51 1ws5 s MET 129 Cb 0.06 -0.98 -0.05 0.00 2.01 0.00 0.00 34.83 35.86 1ws5 s MET 129 CO 0.05 0.26 0.60 0.71 -0.01 0.00 0.00 175.02 176.63 1ws5 s TYR 130 N -0.39 3.67 0.06 -0.03 1.51 -0.43 -4.98 117.35 116.76 1ws5 s TYR 130 Ca 0.04 1.20 0.09 0.00 -1.01 0.00 0.00 57.07 57.39 1ws5 s TYR 130 Cb -0.05 -2.62 -0.03 0.00 -0.11 0.00 0.00 41.96 39.15 1ws5 s TYR 130 CO -0.00 0.33 -0.24 -0.51 -1.11 0.00 0.00 175.55 174.01 1ws5 s LEU 131 N -0.11 2.19 0.20 -1.29 1.43 -1.26 -0.69 118.68 119.14 1ws5 s LEU 131 Ca 0.31 -0.59 -0.20 0.00 -1.03 0.00 0.00 54.13 52.63 1ws5 s LEU 131 Cb -0.18 -1.17 0.04 0.00 0.03 0.00 0.00 46.19 44.91 1ws5 s LEU 131 CO 0.17 0.21 0.58 -0.55 0.23 0.00 0.00 176.35 176.99 1ws5 s SER 132 N -1.33 -0.34 0.00 2.29 0.15 -0.16 -4.92 113.70 109.39 1ws5 s SER 132 Ca 0.10 -0.37 0.29 0.00 0.70 0.00 0.00 55.95 56.68 1ws5 s SER 132 Cb -0.10 0.61 1.32 0.00 -1.71 0.00 0.00 66.02 66.15 1ws5 s SER 132 CO 0.02 -1.08 1.90 0.18 1.20 0.00 0.00 173.24 175.46