#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 3.97 0.60 1.61 2.20 0.08 -4.76 119.74 123.44 1ws5 s LYS 2 Ca 0.00 0.57 -0.16 0.00 -0.36 0.00 0.00 55.97 56.02 1ws5 s LYS 2 Cb 0.00 -3.72 -0.03 0.00 -1.51 0.00 0.00 37.83 32.56 1ws5 s LYS 2 CO 0.00 -0.66 1.07 0.00 -0.36 0.00 0.00 175.35 175.41 1ws5 s ALA 3 N 2.91 2.69 0.04 3.13 0.00 -1.26 -1.77 121.76 127.49 1ws5 s ALA 3 Ca 0.32 0.47 -0.12 0.00 0.00 0.00 0.00 51.96 52.63 1ws5 s ALA 3 Cb -0.14 -3.26 0.01 0.00 0.00 0.00 0.00 23.12 19.73 1ws5 s ALA 3 CO 0.12 -0.87 0.25 -0.59 0.00 0.00 0.00 175.76 174.67 1ws5 s PHE 4 N -2.34 -0.03 -0.27 0.00 -0.71 0.04 -4.94 117.98 109.72 1ws5 s PHE 4 Ca 0.65 -0.14 -0.01 0.00 -1.04 0.00 0.00 56.93 56.40 1ws5 s PHE 4 Cb -0.18 0.03 0.14 0.00 -1.21 0.00 0.00 43.02 41.81 1ws5 s PHE 4 CO 0.36 -0.46 0.37 0.34 -1.34 0.00 0.00 175.22 174.49 1ws5 s ASP 5 N -2.03 0.53 0.33 1.98 -1.08 -1.26 -1.07 116.67 114.07 1ws5 s ASP 5 Ca -0.06 -0.16 0.16 0.00 -0.52 0.00 0.00 52.55 51.98 1ws5 s ASP 5 Cb -0.01 1.01 0.50 0.00 -1.46 0.00 0.00 42.92 42.96 1ws5 s ASP 5 CO -0.03 -0.33 1.65 0.44 0.52 0.00 0.00 175.17 177.42 1ws5 h ASP 6 N 8.19 0.00 -3.40 -0.34 3.32 -1.58 -3.49 116.42 119.13 1ws5 h ASP 6 Ca -0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.91 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 0.28 0.46 0.00 0.61 -1.72 0.00 0.00 179.24 178.87 1ws5 n GLY 7 N 0.42 -1.85 3.73 2.75 0.00 -1.25 -4.95 105.19 104.05 1ws5 n GLY 7 Ca -0.00 -1.70 -0.33 0.00 0.00 0.00 0.00 46.02 43.99 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 -1.47 3.44 0.00 4.61 0.00 -1.26 -3.91 121.76 123.17 1ws5 s ALA 8 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 51.07 1ws5 s ALA 8 Cb 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 23.12 21.64 1ws5 s ALA 8 CO 0.00 0.66 0.00 1.19 0.00 0.00 0.00 175.76 177.61 1ws5 n PHE 9 N 1.37 0.00 0.09 0.00 3.01 0.94 -5.00 117.46 117.87 1ws5 n PHE 9 Ca -0.14 0.00 0.05 0.00 1.01 0.00 0.00 57.45 58.37 1ws5 n PHE 9 Cb 0.53 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.98 1ws5 n PHE 9 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 1ws5 h THR 10 N 0.50 0.32 0.00 4.37 2.02 -1.53 -3.46 112.91 115.13 1ws5 h THR 10 Ca 0.00 -1.58 0.00 0.00 0.77 0.00 0.00 66.41 65.60 1ws5 h THR 10 Cb 0.00 1.88 0.00 0.00 -1.74 0.00 0.00 68.15 68.29 1ws5 h THR 10 CO 0.00 0.18 0.00 0.61 0.37 0.00 0.00 175.52 176.68 1ws5 n GLY 11 N 1.27 -1.32 3.15 2.16 0.00 -1.18 -4.94 105.19 104.32 1ws5 n GLY 11 Ca -0.04 -0.94 -0.28 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.83 1.61 -0.14 -0.61 1.01 -1.26 -1.63 121.20 117.35 1ws5 s ILE 12 Ca 0.00 -0.78 0.03 0.00 0.00 0.00 0.00 60.65 59.89 1ws5 s ILE 12 Cb 0.00 -1.40 -0.10 0.00 0.01 0.00 0.00 42.46 40.97 1ws5 s ILE 12 CO 0.00 0.46 -0.10 0.54 0.00 0.00 0.00 174.94 175.84 1ws5 n ARG 13 N 3.41 0.67 -3.67 2.79 1.74 -0.37 -4.78 116.66 116.45 1ws5 n ARG 13 Ca -0.20 0.07 -0.14 0.00 -0.77 0.00 0.00 57.85 56.81 1ws5 n ARG 13 Cb 0.52 -1.28 -0.08 0.00 -1.02 0.00 0.00 32.46 30.60 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 -2.28 0.70 -0.07 5.56 2.12 -0.84 -1.38 118.70 122.51 1ws5 s GLU 14 Ca -0.17 0.55 0.03 0.00 0.36 0.00 0.00 54.97 55.75 1ws5 s GLU 14 Cb 0.05 0.34 0.01 0.00 0.26 0.00 0.00 34.13 34.78 1ws5 s GLU 14 CO 0.35 -0.13 -0.17 0.42 -0.54 0.00 0.00 175.26 175.19 1ws5 s ILE 15 N -0.15 1.48 -0.17 -3.70 1.01 -0.28 -0.15 121.20 119.23 1ws5 s ILE 15 Ca -0.03 -0.69 0.01 0.00 0.00 0.00 0.00 60.65 59.93 1ws5 s ILE 15 Cb -0.03 -1.31 0.02 0.00 0.01 0.00 0.00 42.46 41.16 1ws5 s ILE 15 CO 0.03 0.43 -0.17 0.20 0.00 0.00 0.00 174.94 175.43 1ws5 s ASN 16 N 0.45 3.07 0.20 3.58 0.01 0.67 0.02 114.94 122.94 1ws5 s ASN 16 Ca -0.14 -0.65 0.00 0.00 -0.71 0.00 0.00 52.86 51.36 1ws5 s ASN 16 Cb -0.16 -1.37 -0.05 0.00 0.41 0.00 0.00 41.25 40.09 1ws5 s ASN 16 CO 0.05 -0.04 0.07 -1.48 -1.51 0.00 0.00 177.10 174.20 1ws5 s LEU 17 N 1.35 1.68 0.08 0.60 0.05 -0.67 -0.43 118.68 121.33 1ws5 s LEU 17 Ca 0.04 -1.30 0.03 0.00 0.05 0.00 0.00 54.13 52.95 1ws5 s LEU 17 Cb -0.13 0.13 -0.03 0.00 -2.05 0.00 0.00 46.19 44.10 1ws5 s LEU 17 CO -0.12 -0.71 -0.08 -0.94 -0.55 0.00 0.00 176.35 173.95 1ws5 s SER 18 N -3.20 1.15 0.21 1.48 1.04 -0.87 0.11 113.70 113.63 1ws5 s SER 18 Ca 0.32 -0.78 -0.09 0.00 0.48 0.00 0.00 55.95 55.88 1ws5 s SER 18 Cb 0.07 0.05 -0.01 0.00 0.10 0.00 0.00 66.02 66.22 1ws5 s SER 18 CO 0.09 -0.31 0.33 -0.72 0.98 0.00 0.00 173.24 173.61 1ws5 s TYR 19 N -2.45 0.57 -0.07 5.02 1.13 -0.55 -0.56 117.35 120.44 1ws5 s TYR 19 Ca 0.02 -0.90 0.02 0.00 -1.41 0.00 0.00 57.07 54.81 1ws5 s TYR 19 Cb -0.03 -0.07 0.01 0.00 -1.10 0.00 0.00 41.96 40.78 1ws5 s TYR 19 CO -0.01 -0.82 -0.12 1.21 -2.51 0.00 0.00 175.55 173.29 1ws5 s ASN 20 N -3.04 1.80 0.28 -0.18 2.47 -0.98 0.24 114.94 115.52 1ws5 s ASN 20 Ca 0.25 -0.30 0.18 0.00 0.42 0.00 0.00 52.86 53.41 1ws5 s ASN 20 Cb 0.02 -0.83 1.00 0.00 -1.45 0.00 0.00 41.25 39.99 1ws5 s ASN 20 CO 0.07 0.03 1.56 2.29 -3.72 0.00 0.00 177.10 177.32 1ws5 n LYS 21 N 3.87 0.12 -0.00 0.43 2.85 -1.26 -2.31 118.16 121.86 1ws5 n LYS 21 Ca -0.22 0.62 0.03 0.00 -1.05 0.00 0.00 58.31 57.68 1ws5 n LYS 21 Cb 0.52 -1.90 -0.04 0.00 -0.65 0.00 0.00 35.03 32.96 1ws5 n LYS 21 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1ws5 n GLU 22 N -2.14 4.46 0.00 -1.58 1.02 -1.26 -4.71 120.64 116.43 1ws5 n GLU 22 Ca -0.01 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 1ws5 n GLU 22 Cb 0.04 -0.83 0.00 0.00 -0.02 0.00 0.00 31.44 30.63 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 -1.20 0.00 -3.06 2.62 -2.24 -0.98 -5.05 114.28 104.38 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 0.11 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.34 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 -1.87 6.98 0.00 -1.24 -4.63 120.51 116.75 1ws5 n ALA 24 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 1ws5 n ALA 24 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 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 -2.88 3.81 0.00 0.00 1.01 -0.99 -2.33 121.20 119.82 1ws5 s ILE 25 Ca 0.00 1.73 0.00 0.00 0.00 0.00 0.00 60.65 62.38 1ws5 s ILE 25 Cb 0.00 -4.10 0.00 0.00 0.01 0.00 0.00 42.46 38.37 1ws5 s ILE 25 CO 0.00 0.37 0.00 0.61 0.00 0.00 0.00 174.94 175.92 1ws5 n GLY 26 N 1.56 -0.01 3.84 6.18 0.00 0.28 -1.17 105.19 115.87 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 -0.38 6.69 -0.13 1.61 1.01 -1.25 -4.27 116.67 119.94 1ws5 s ASP 27 Ca 0.00 1.51 -0.06 0.00 0.71 0.00 0.00 52.55 54.71 1ws5 s ASP 27 Cb 0.00 -2.48 0.06 0.00 1.01 0.00 0.00 42.92 41.51 1ws5 s ASP 27 CO 0.00 -0.48 0.31 0.12 0.21 0.00 0.00 175.17 175.33 1ws5 s PHE 28 N -2.44 -0.46 -0.13 4.23 5.36 0.01 -2.05 117.98 122.50 1ws5 s PHE 28 Ca 0.58 1.02 -0.15 0.00 -0.96 0.00 0.00 56.93 57.42 1ws5 s PHE 28 Cb -0.10 0.11 0.04 0.00 -0.34 0.00 0.00 43.02 42.73 1ws5 s PHE 28 CO 0.26 -0.31 0.40 -1.14 -1.46 0.00 0.00 175.22 172.98 1ws5 s GLN 29 N 1.65 0.52 -0.01 10.12 -0.44 0.42 -1.35 119.66 130.58 1ws5 s GLN 29 Ca -0.07 0.46 0.05 0.00 -2.50 0.00 0.00 55.36 53.30 1ws5 s GLN 29 Cb -0.10 0.25 -0.01 0.00 -1.64 0.00 0.00 33.01 31.50 1ws5 s GLN 29 CO -0.10 -0.08 -0.16 0.08 0.50 0.00 0.00 175.29 175.53 1ws5 s VAL 30 N -0.03 1.26 -0.35 1.34 1.01 -1.26 -0.24 120.40 122.13 1ws5 s VAL 30 Ca -0.02 -0.69 -0.10 0.00 0.00 0.00 0.00 61.98 61.16 1ws5 s VAL 30 Cb -0.03 -1.05 0.02 0.00 0.00 0.00 0.00 36.38 35.31 1ws5 s VAL 30 CO 0.01 0.35 0.19 -0.69 0.00 0.00 0.00 175.10 174.96 1ws5 s VAL 31 N -0.38 4.56 0.62 2.92 1.01 0.78 -0.58 120.40 129.33 1ws5 s VAL 31 Ca 0.06 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.32 1ws5 s VAL 31 Cb -0.06 -3.48 0.08 0.00 0.00 0.00 0.00 36.38 32.92 1ws5 s VAL 31 CO -0.01 -0.14 0.87 -0.31 0.00 0.00 0.00 175.10 175.51 1ws5 s TYR 32 N 1.57 2.20 -0.08 5.22 1.51 0.59 -1.23 117.35 127.13 1ws5 s TYR 32 Ca 0.03 -0.19 -0.00 0.00 -1.01 0.00 0.00 57.07 55.90 1ws5 s TYR 32 Cb -0.19 -2.81 -0.03 0.00 -0.11 0.00 0.00 41.96 38.83 1ws5 s TYR 32 CO 0.06 -1.25 -0.05 0.34 -1.11 0.00 0.00 175.55 173.54 1ws5 s ASP 33 N -4.58 4.76 -0.33 2.29 2.15 -0.65 -0.50 116.67 119.81 1ws5 s ASP 33 Ca 0.61 -0.01 0.00 0.00 0.43 0.00 0.00 52.55 53.59 1ws5 s ASP 33 Cb -0.08 -1.30 0.10 0.00 -0.30 0.00 0.00 42.92 41.35 1ws5 s ASP 33 CO 0.41 0.34 0.11 -0.22 -0.17 0.00 0.00 175.17 175.64 1ws5 s LEU 34 N -0.68 2.69 -1.51 -1.34 2.96 0.97 -1.51 118.68 120.26 1ws5 s LEU 34 Ca 0.10 -1.85 -0.10 0.00 -0.22 0.00 0.00 54.13 52.06 1ws5 s LEU 34 Cb -0.11 -1.01 0.07 0.00 0.50 0.00 0.00 46.19 45.64 1ws5 s LEU 34 CO 0.02 -0.39 0.80 0.59 -1.32 0.00 0.00 176.35 176.05 1ws5 n ASN 35 N 4.58 -3.14 0.00 3.68 5.03 -1.26 -1.68 115.26 122.47 1ws5 n ASN 35 Ca 0.00 -0.87 0.00 0.00 0.87 0.00 0.00 54.58 54.58 1ws5 n ASN 35 Cb 0.41 -3.54 0.00 0.00 -1.02 0.00 0.00 39.78 35.63 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 -1.66 0.81 3.37 7.41 0.00 -1.26 -5.06 105.19 108.81 1ws5 n GLY 36 Ca -0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 1ws5 n GLY 36 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ws5 s SER 37 N -2.70 3.37 0.41 1.61 0.01 -0.68 -5.10 113.70 110.62 1ws5 s SER 37 Ca 0.00 -0.42 -0.26 0.00 1.31 0.00 0.00 55.95 56.58 1ws5 s SER 37 Cb 0.00 -0.48 -0.09 0.00 0.21 0.00 0.00 66.02 65.66 1ws5 s SER 37 CO 0.00 0.31 1.36 -2.84 0.41 0.00 0.00 173.24 172.48 1ws5 s PRO 38 N -0.82 3.95 -0.14 12.44 0.02 -1.26 -0.02 135.00 149.17 1ws5 s PRO 38 Ca 0.11 2.28 -0.02 0.00 0.02 0.00 0.00 61.00 63.39 1ws5 s PRO 38 Cb -0.10 -2.79 0.05 0.00 0.02 0.00 0.00 34.50 31.68 1ws5 s PRO 38 CO 0.00 -0.56 0.02 -0.47 -0.33 0.00 0.00 177.00 175.67 1ws5 s TYR 39 N -1.22 0.86 -0.38 6.54 6.14 0.34 -4.80 117.35 124.85 1ws5 s TYR 39 Ca 0.57 -0.54 -0.28 0.00 0.64 0.00 0.00 57.07 57.45 1ws5 s TYR 39 Cb -0.41 -0.93 0.02 0.00 0.42 0.00 0.00 41.96 41.06 1ws5 s TYR 39 CO 0.53 -0.48 1.05 0.08 0.64 0.00 0.00 175.55 177.37 1ws5 s VAL 40 N 1.91 4.45 0.72 3.14 1.01 -1.26 -0.30 120.40 130.06 1ws5 s VAL 40 Ca 0.02 1.45 -0.11 0.00 0.00 0.00 0.00 61.98 63.34 1ws5 s VAL 40 Cb -0.15 -4.45 0.02 0.00 0.00 0.00 0.00 36.38 31.81 1ws5 s VAL 40 CO -0.07 -0.64 1.07 -0.83 0.00 0.00 0.00 175.10 174.63 1ws5 s GLY 41 N 1.93 1.66 0.44 4.51 0.00 0.26 -4.98 107.32 111.15 1ws5 s GLY 41 Ca 0.44 0.09 -0.25 0.00 0.00 0.00 0.00 44.72 45.00 1ws5 s GLY 41 CO 0.21 0.41 1.37 1.20 0.00 0.00 0.00 173.10 176.29 1ws5 s GLN 42 N -5.03 3.74 -0.27 2.90 -1.52 -1.26 -4.62 119.66 113.60 1ws5 s GLN 42 Ca 0.59 2.30 -0.27 0.00 -1.95 0.00 0.00 55.36 56.03 1ws5 s GLN 42 Cb -0.14 -2.66 0.01 0.00 -0.22 0.00 0.00 33.01 30.00 1ws5 s GLN 42 CO 0.55 -0.73 0.94 1.21 -0.25 0.00 0.00 175.29 177.01 1ws5 s ASN 43 N -0.63 6.90 -0.51 5.90 2.47 -1.26 -4.57 114.94 123.23 1ws5 s ASN 43 Ca 0.60 1.06 -0.18 0.00 0.42 0.00 0.00 52.86 54.77 1ws5 s ASN 43 Cb -0.41 -2.49 0.07 0.00 -1.45 0.00 0.00 41.25 36.97 1ws5 s ASN 43 CO 0.53 -0.67 0.57 -1.00 -3.72 0.00 0.00 177.10 172.81 1ws5 s HIS 44 N 3.17 3.10 0.01 0.43 3.76 -0.45 -5.00 115.29 120.31 1ws5 s HIS 44 Ca 0.40 -0.73 0.00 0.00 -0.15 0.00 0.00 55.06 54.57 1ws5 s HIS 44 Cb -0.14 -3.53 -0.04 0.00 1.11 0.00 0.00 32.58 29.98 1ws5 s HIS 44 CO 0.10 -1.01 0.10 0.15 -0.85 0.00 0.00 174.74 173.23 1ws5 s LYS 45 N 2.34 3.09 0.71 1.40 1.02 -1.26 -0.81 119.74 126.23 1ws5 s LYS 45 Ca 0.11 -0.50 -0.14 0.00 0.02 0.00 0.00 55.97 55.46 1ws5 s LYS 45 Cb -0.22 -2.87 0.03 0.00 -0.52 0.00 0.00 37.83 34.25 1ws5 s LYS 45 CO 0.09 0.63 1.12 0.45 -0.92 0.00 0.00 175.35 176.73 1ws5 s SER 46 N -1.93 4.69 0.50 2.83 0.15 -1.26 -4.86 113.70 113.82 1ws5 s SER 46 Ca 0.25 2.03 0.29 0.00 0.70 0.00 0.00 55.95 59.22 1ws5 s SER 46 Cb -0.12 -2.55 1.01 0.00 -1.71 0.00 0.00 66.02 62.64 1ws5 s SER 46 CO 0.17 -1.91 1.85 -0.26 1.20 0.00 0.00 173.24 174.29 1ws5 h PHE 47 N -0.39 0.00 -0.72 3.44 0.04 -1.43 -3.46 116.94 114.43 1ws5 h PHE 47 Ca -0.46 0.00 -0.62 0.00 2.80 0.00 0.00 57.97 59.69 1ws5 h PHE 47 Cb 1.25 0.00 -0.10 0.00 2.20 0.00 0.00 35.95 39.31 1ws5 h PHE 47 CO 0.54 0.05 -0.45 0.96 -0.60 0.00 0.00 178.31 178.81 1ws5 s ILE 48 N -3.53 1.58 0.19 -0.55 -4.36 -1.26 -5.05 121.20 108.21 1ws5 s ILE 48 Ca 0.03 -1.78 0.01 0.00 -0.26 0.00 0.00 60.65 58.65 1ws5 s ILE 48 Cb 0.08 -2.36 0.01 0.00 1.25 0.00 0.00 42.46 41.44 1ws5 s ILE 48 CO 0.60 0.00 0.06 0.35 0.24 0.00 0.00 174.94 176.19 1ws5 n THR 49 N -1.41 0.00 -0.19 8.37 -2.24 -1.26 -4.89 114.28 112.67 1ws5 n THR 49 Ca -0.09 -0.85 0.00 0.00 -2.27 0.00 0.00 64.05 60.83 1ws5 n THR 49 Cb 0.66 -0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.85 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 2.68 0.89 3.94 3.38 0.00 -1.26 -5.10 105.19 109.72 1ws5 n GLY 50 Ca -0.05 -0.16 -0.25 0.00 0.00 0.00 0.00 46.02 45.56 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 3.48 -0.26 1.61 0.08 -1.26 -4.82 117.98 114.80 1ws5 s PHE 51 Ca 0.00 0.27 -0.11 0.00 0.12 0.00 0.00 56.93 57.20 1ws5 s PHE 51 Cb 0.00 -1.80 -0.05 0.00 -0.57 0.00 0.00 43.02 40.60 1ws5 s PHE 51 CO 0.00 0.32 0.21 0.99 -0.10 0.00 0.00 175.22 176.64 1ws5 s THR 52 N -2.02 5.30 0.40 0.64 2.01 0.14 -4.84 115.64 117.28 1ws5 s THR 52 Ca 0.38 0.24 -0.23 0.00 0.31 0.00 0.00 61.69 62.39 1ws5 s THR 52 Cb -0.10 -3.55 -0.10 0.00 0.01 0.00 0.00 72.50 68.76 1ws5 s THR 52 CO 0.31 0.27 0.97 -2.16 -0.69 0.00 0.00 174.62 173.31 1ws5 s PRO 53 N 1.58 4.29 -0.02 4.92 0.04 -1.26 -1.48 135.00 143.07 1ws5 s PRO 53 Ca 0.09 1.24 0.01 0.00 0.04 0.00 0.00 61.00 62.37 1ws5 s PRO 53 Cb -0.15 -2.38 0.01 0.00 0.04 0.00 0.00 34.50 32.02 1ws5 s PRO 53 CO 0.09 0.01 -0.02 0.08 0.04 0.00 0.00 177.00 177.20 1ws5 s VAL 54 N -1.95 0.25 -0.18 -0.36 1.01 0.12 -4.96 120.40 114.32 1ws5 s VAL 54 Ca 0.59 -0.03 -0.01 0.00 0.00 0.00 0.00 61.98 62.53 1ws5 s VAL 54 Cb -0.14 -0.28 -0.00 0.00 0.00 0.00 0.00 36.38 35.96 1ws5 s VAL 54 CO 0.18 0.13 -0.13 -0.75 0.00 0.00 0.00 175.10 174.53 1ws5 s LYS 55 N 0.57 3.23 -0.44 2.72 2.20 -1.26 -1.67 119.74 125.09 1ws5 s LYS 55 Ca -0.06 -0.72 -0.07 0.00 -0.36 0.00 0.00 55.97 54.76 1ws5 s LYS 55 Cb -0.09 -2.73 0.11 0.00 -1.51 0.00 0.00 37.83 33.61 1ws5 s LYS 55 CO -0.01 -0.08 0.28 0.42 -0.36 0.00 0.00 175.35 175.61 1ws5 s ILE 56 N 1.07 3.90 -0.42 5.43 -1.09 0.10 -5.00 121.20 125.19 1ws5 s ILE 56 Ca -0.00 -1.81 -0.16 0.00 -2.23 0.00 0.00 60.65 56.45 1ws5 s ILE 56 Cb -0.15 -3.57 0.03 0.00 -1.58 0.00 0.00 42.46 37.19 1ws5 s ILE 56 CO -0.03 -0.70 0.34 -0.55 -1.23 0.00 0.00 174.94 172.77 1ws5 s SER 57 N 2.31 6.13 0.22 3.58 0.15 -1.26 -1.13 113.70 123.71 1ws5 s SER 57 Ca 0.06 -0.88 -0.16 0.00 0.70 0.00 0.00 55.95 55.67 1ws5 s SER 57 Cb -0.25 -2.18 -0.08 0.00 -1.71 0.00 0.00 66.02 61.81 1ws5 s SER 57 CO -0.01 -0.50 0.64 -0.76 1.20 0.00 0.00 173.24 173.81 1ws5 s LEU 58 N 1.79 4.26 -1.38 3.45 1.43 -0.48 -4.97 118.68 122.78 1ws5 s LEU 58 Ca 0.07 1.21 -0.12 0.00 -1.03 0.00 0.00 54.13 54.25 1ws5 s LEU 58 Cb -0.19 -3.59 0.09 0.00 0.03 0.00 0.00 46.19 42.53 1ws5 s LEU 58 CO 0.11 -0.01 2.06 -0.67 0.23 0.00 0.00 176.35 178.07 1ws5 n ASP 59 N 0.41 4.40 -4.77 2.29 2.03 -1.26 -4.84 116.55 114.82 1ws5 n ASP 59 Ca -0.02 -2.95 -0.41 0.00 0.52 0.00 0.00 54.79 51.93 1ws5 n ASP 59 Cb 0.52 -1.59 -0.02 0.00 -0.72 0.00 0.00 41.12 39.31 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 2.11 2.91 -2.51 -0.67 5.36 -1.26 -1.13 117.98 122.79 1ws5 s PHE 60 Ca 0.44 1.24 0.23 0.00 -0.96 0.00 0.00 56.93 57.88 1ws5 s PHE 60 Cb 0.12 -3.82 0.43 0.00 -0.34 0.00 0.00 43.02 39.41 1ws5 s PHE 60 CO -0.05 -2.41 1.41 -0.35 -1.46 0.00 0.00 175.22 172.36 1ws5 n PRO 61 N 1.10 2.46 0.17 10.12 -0.04 -1.26 -4.87 135.00 142.68 1ws5 n PRO 61 Ca 0.02 -2.19 0.04 0.00 -0.04 0.00 0.00 63.50 61.32 1ws5 n PRO 61 Cb 0.41 -1.51 0.28 0.00 -0.04 0.00 0.00 33.50 32.64 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 4.37 0.00 -3.30 3.54 4.64 -1.80 -3.42 113.55 117.58 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 0.96 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 62.85 1ws5 h SER 62 CO 0.00 0.44 -0.64 -0.70 -0.87 0.00 0.00 176.83 175.07 1ws5 s GLU 63 N -3.56 3.72 0.05 4.77 2.12 -0.29 -4.95 118.70 120.56 1ws5 s GLU 63 Ca -0.00 -0.47 -0.09 0.00 0.36 0.00 0.00 54.97 54.77 1ws5 s GLU 63 Cb 0.11 -2.99 0.00 0.00 0.26 0.00 0.00 34.13 31.52 1ws5 s GLU 63 CO 0.71 0.28 0.20 1.52 -0.54 0.00 0.00 175.26 177.43 1ws5 s TYR 64 N 0.28 0.07 0.17 5.30 1.13 -1.26 -4.31 117.35 118.72 1ws5 s TYR 64 Ca -0.01 -0.32 -0.31 0.00 -1.41 0.00 0.00 57.07 55.02 1ws5 s TYR 64 Cb -0.13 -0.03 -0.09 0.00 -1.10 0.00 0.00 41.96 40.61 1ws5 s TYR 64 CO 0.02 -0.45 1.41 0.42 -2.51 0.00 0.00 175.55 174.44 1ws5 s ILE 65 N -2.80 3.05 -0.13 -3.49 -1.09 -1.26 -2.59 121.20 112.89 1ws5 s ILE 65 Ca -0.03 0.80 0.06 0.00 -2.23 0.00 0.00 60.65 59.25 1ws5 s ILE 65 Cb 0.00 -3.51 -0.08 0.00 -1.58 0.00 0.00 42.46 37.29 1ws5 s ILE 65 CO -0.05 0.09 0.18 0.23 -1.23 0.00 0.00 174.94 174.16 1ws5 n MET 66 N 3.36 2.45 -3.63 2.79 2.81 0.10 -4.75 117.12 120.25 1ws5 n MET 66 Ca 0.10 -0.03 -0.11 0.00 -1.81 0.00 0.00 57.70 55.84 1ws5 n MET 66 Cb 0.41 -0.97 -0.07 0.00 -0.71 0.00 0.00 33.22 31.88 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 -2.01 0.76 -0.08 0.03 2.12 -0.92 -0.47 118.70 118.14 1ws5 s GLU 67 Ca -0.00 1.01 0.04 0.00 0.36 0.00 0.00 54.97 56.38 1ws5 s GLU 67 Cb 0.04 0.32 -0.00 0.00 0.26 0.00 0.00 34.13 34.75 1ws5 s GLU 67 CO 0.24 -0.11 -0.22 0.08 -0.54 0.00 0.00 175.26 174.71 1ws5 s VAL 68 N 0.71 1.89 0.19 3.70 1.01 -0.91 -0.91 120.40 126.07 1ws5 s VAL 68 Ca -0.02 -0.94 -0.03 0.00 0.00 0.00 0.00 61.98 60.99 1ws5 s VAL 68 Cb -0.05 -1.63 -0.03 0.00 0.00 0.00 0.00 36.38 34.66 1ws5 s VAL 68 CO -0.05 0.53 0.16 -0.94 0.00 0.00 0.00 175.10 174.79 1ws5 s SER 69 N 0.23 0.16 0.00 3.32 1.04 -0.55 0.11 113.70 118.01 1ws5 s SER 69 Ca -0.14 -1.26 0.00 0.00 0.48 0.00 0.00 55.95 55.03 1ws5 s SER 69 Cb -0.16 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.34 1ws5 s SER 69 CO 0.07 -0.85 0.00 0.61 0.98 0.00 0.00 173.24 174.05 1ws5 n GLY 70 N -0.23 -0.86 3.03 7.32 0.00 -0.69 -0.20 105.19 113.55 1ws5 n GLY 70 Ca -0.01 -0.79 -0.15 0.00 0.00 0.00 0.00 46.02 45.07 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 0.63 0.07 1.61 1.51 -0.96 -1.72 117.35 115.48 1ws5 s TYR 71 Ca 0.00 -0.33 0.10 0.00 -1.01 0.00 0.00 57.07 55.83 1ws5 s TYR 71 Cb 0.00 -0.38 -0.03 0.00 -0.11 0.00 0.00 41.96 41.43 1ws5 s TYR 71 CO 0.00 -0.05 -0.26 0.95 -1.11 0.00 0.00 175.55 175.08 1ws5 s THR 72 N -0.85 2.15 0.10 -0.71 -4.23 -0.13 -0.50 115.64 111.48 1ws5 s THR 72 Ca -0.04 -1.50 -0.26 0.00 -1.18 0.00 0.00 61.69 58.71 1ws5 s THR 72 Cb -0.07 -1.87 0.09 0.00 1.34 0.00 0.00 72.50 71.99 1ws5 s THR 72 CO 0.00 0.27 1.11 -0.83 -0.54 0.00 0.00 174.62 174.63 1ws5 s GLY 73 N -1.50 -0.13 -0.08 3.99 0.00 -0.37 -0.54 107.32 108.69 1ws5 s GLY 73 Ca 0.12 0.07 -0.25 0.00 0.00 0.00 0.00 44.72 44.67 1ws5 s GLY 73 CO 0.03 1.71 0.76 0.21 0.00 0.00 0.00 173.10 175.81 1ws5 s ASN 74 N -3.24 7.03 -0.16 1.64 3.84 -1.26 -0.78 114.94 122.01 1ws5 s ASN 74 Ca 0.19 1.25 -0.01 0.00 0.21 0.00 0.00 52.86 54.49 1ws5 s ASN 74 Cb -0.00 -2.44 0.05 0.00 -0.55 0.00 0.00 41.25 38.30 1ws5 s ASN 74 CO 0.02 -0.19 -0.01 -0.69 -2.79 0.00 0.00 177.10 173.44 1ws5 s VAL 75 N 1.07 0.77 -1.44 -5.21 1.01 0.13 -4.80 120.40 111.92 1ws5 s VAL 75 Ca 0.40 -0.47 -0.11 0.00 0.00 0.00 0.00 61.98 61.79 1ws5 s VAL 75 Cb -0.18 -1.06 0.07 0.00 0.00 0.00 0.00 36.38 35.21 1ws5 s VAL 75 CO 0.19 0.03 0.70 -1.20 0.00 0.00 0.00 175.10 174.82 1ws5 n SER 76 N 4.98 -4.44 0.00 3.32 7.64 -1.26 -1.17 113.62 122.69 1ws5 n SER 76 Ca -0.10 -0.55 0.00 0.00 1.01 0.00 0.00 58.87 59.23 1ws5 n SER 76 Cb 0.48 -3.60 0.00 0.00 -1.01 0.00 0.00 64.21 60.08 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 -1.42 1.07 3.50 0.23 0.00 -1.26 -5.05 105.19 102.26 1ws5 n GLY 77 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.57 2.81 -0.32 1.61 2.02 -0.32 -5.06 117.35 115.53 1ws5 s TYR 78 Ca 0.00 -0.15 -0.24 0.00 -0.37 0.00 0.00 57.07 56.31 1ws5 s TYR 78 Cb 0.00 -1.70 0.00 0.00 -0.40 0.00 0.00 41.96 39.87 1ws5 s TYR 78 CO 0.00 0.19 0.81 0.08 -1.57 0.00 0.00 175.55 175.05 1ws5 s VAL 79 N -0.59 4.76 0.32 0.71 1.01 -1.26 0.19 120.40 125.54 1ws5 s VAL 79 Ca 0.09 1.16 0.04 0.00 0.00 0.00 0.00 61.98 63.26 1ws5 s VAL 79 Cb -0.11 -4.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.05 1ws5 s VAL 79 CO 0.01 -0.31 0.16 0.68 0.00 0.00 0.00 175.10 175.65 1ws5 s VAL 80 N 3.04 0.36 -0.44 2.92 -7.23 0.04 -4.81 120.40 114.28 1ws5 s VAL 80 Ca 0.33 -2.00 -0.25 0.00 -1.81 0.00 0.00 61.98 58.25 1ws5 s VAL 80 Cb -0.14 -2.50 0.02 0.00 0.56 0.00 0.00 36.38 34.33 1ws5 s VAL 80 CO 0.14 0.00 0.89 -0.69 -0.31 0.00 0.00 175.10 175.12 1ws5 s VAL 81 N -3.54 4.54 -0.15 1.32 1.01 0.26 -1.23 120.40 122.61 1ws5 s VAL 81 Ca 0.35 0.76 0.18 0.00 0.00 0.00 0.00 61.98 63.26 1ws5 s VAL 81 Cb 0.05 -4.38 -0.07 0.00 0.00 0.00 0.00 36.38 31.98 1ws5 s VAL 81 CO 0.18 -0.74 0.98 0.03 0.00 0.00 0.00 175.10 175.55 1ws5 h ARG 82 N 8.93 0.00 -2.98 2.72 3.08 -1.08 -2.62 114.38 122.43 1ws5 h ARG 82 Ca -0.24 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.72 1ws5 h ARG 82 Cb 1.08 0.00 -0.18 0.00 0.08 0.00 0.00 29.97 30.95 1ws5 h ARG 82 CO 1.00 0.26 -0.13 0.45 -1.07 0.00 0.00 179.97 180.48 1ws5 s SER 83 N -5.81 -0.28 -0.00 7.04 0.15 -1.15 -1.03 113.70 112.61 1ws5 s SER 83 Ca -0.01 0.05 -0.02 0.00 0.70 0.00 0.00 55.95 56.67 1ws5 s SER 83 Cb 0.09 0.40 -0.00 0.00 -1.71 0.00 0.00 66.02 64.79 1ws5 s SER 83 CO 0.79 -0.61 0.04 -0.76 1.20 0.00 0.00 173.24 173.91 1ws5 s LEU 84 N -1.80 1.89 -0.02 3.45 1.43 -0.80 -2.28 118.68 120.55 1ws5 s LEU 84 Ca -0.07 -0.15 0.00 0.00 -1.03 0.00 0.00 54.13 52.88 1ws5 s LEU 84 Cb -0.02 0.25 0.02 0.00 0.03 0.00 0.00 46.19 46.47 1ws5 s LEU 84 CO -0.00 -0.18 -0.00 -0.89 0.23 0.00 0.00 176.35 175.51 1ws5 s THR 85 N -0.72 0.13 -0.17 5.49 2.01 0.72 -1.17 115.64 121.93 1ws5 s THR 85 Ca -0.08 0.04 0.01 0.00 0.31 0.00 0.00 61.69 61.97 1ws5 s THR 85 Cb -0.05 -0.19 0.01 0.00 0.01 0.00 0.00 72.50 72.28 1ws5 s THR 85 CO -0.00 0.10 -0.19 -0.36 -0.69 0.00 0.00 174.62 173.48 1ws5 s PHE 86 N 0.63 2.77 -0.19 4.92 0.40 -0.03 -1.48 117.98 125.01 1ws5 s PHE 86 Ca -0.06 -1.48 -0.04 0.00 -0.60 0.00 0.00 56.93 54.75 1ws5 s PHE 86 Cb -0.09 -1.91 -0.02 0.00 0.51 0.00 0.00 43.02 41.51 1ws5 s PHE 86 CO -0.01 -0.72 -0.03 0.21 0.70 0.00 0.00 175.22 175.37 1ws5 s LYS 87 N 1.16 3.57 0.42 0.44 2.20 -0.09 0.29 119.74 127.72 1ws5 s LYS 87 Ca 0.02 -0.55 0.04 0.00 -0.36 0.00 0.00 55.97 55.12 1ws5 s LYS 87 Cb -0.14 -2.99 0.04 0.00 -1.51 0.00 0.00 37.83 33.23 1ws5 s LYS 87 CO -0.09 0.04 0.36 0.25 -0.36 0.00 0.00 175.35 175.55 1ws5 n THR 88 N 4.13 0.00 1.36 3.43 -2.24 0.31 0.01 114.28 121.28 1ws5 n THR 88 Ca -0.17 -1.63 0.12 0.00 -2.27 0.00 0.00 64.05 60.10 1ws5 n THR 88 Cb 0.52 -0.21 0.68 0.00 -2.10 0.00 0.00 70.33 69.22 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 -1.97 0.00 -0.04 3.42 6.94 -1.07 -3.69 115.26 118.86 1ws5 n ASN 89 Ca 0.00 -0.40 -0.05 0.00 -0.02 0.00 0.00 54.58 54.12 1ws5 n ASN 89 Cb 0.47 -0.16 -0.05 0.00 -2.36 0.00 0.00 39.78 37.69 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 -1.16 1.39 -3.84 -3.83 5.02 -1.26 -5.06 118.16 109.41 1ws5 n LYS 90 Ca 0.15 0.03 -0.04 0.00 -2.02 0.00 0.00 58.31 56.43 1ws5 n LYS 90 Cb 0.15 -1.17 0.01 0.00 -0.02 0.00 0.00 35.03 34.00 1ws5 n LYS 90 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1ws5 s LYS 91 N -2.17 1.39 -0.15 1.97 0.00 -1.24 -5.15 119.74 114.38 1ws5 s LYS 91 Ca -0.08 -0.87 -0.04 0.00 0.00 0.00 0.00 55.97 54.98 1ws5 s LYS 91 Cb 0.03 0.41 -0.03 0.00 0.00 0.00 0.00 37.83 38.23 1ws5 s LYS 91 CO 0.23 -0.65 -0.02 0.99 0.00 0.00 0.00 175.35 175.91 1ws5 s THR 92 N -2.44 4.09 -0.31 3.79 2.01 -1.26 -0.53 115.64 120.99 1ws5 s THR 92 Ca 0.19 -0.29 -0.05 0.00 0.31 0.00 0.00 61.69 61.84 1ws5 s THR 92 Cb -0.03 -2.79 0.03 0.00 0.01 0.00 0.00 72.50 69.72 1ws5 s THR 92 CO 0.05 0.50 0.06 -0.31 -0.69 0.00 0.00 174.62 174.23 1ws5 s TYR 93 N 0.23 3.19 0.00 4.92 1.51 0.14 -4.99 117.35 122.35 1ws5 s TYR 93 Ca -0.01 -1.33 0.00 0.00 -1.01 0.00 0.00 57.07 54.72 1ws5 s TYR 93 Cb -0.14 -2.22 0.00 0.00 -0.11 0.00 0.00 41.96 39.50 1ws5 s TYR 93 CO 0.02 -0.68 0.00 0.41 -1.11 0.00 0.00 175.55 174.19 1ws5 n GLY 94 N 4.79 -0.15 3.76 0.71 0.00 -1.26 -0.85 105.19 112.19 1ws5 n GLY 94 Ca -0.14 -2.24 -0.35 0.00 0.00 0.00 0.00 46.02 43.29 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 3.07 -0.10 1.61 0.04 -1.26 -4.98 135.00 133.38 1ws5 s PRO 95 Ca 0.00 1.71 0.03 0.00 0.04 0.00 0.00 61.00 62.78 1ws5 s PRO 95 Cb 0.00 -1.96 -0.01 0.00 0.04 0.00 0.00 34.50 32.58 1ws5 s PRO 95 CO 0.00 -1.10 -0.21 0.71 0.04 0.00 0.00 177.00 176.44 1ws5 s TYR 96 N -1.74 2.61 0.00 0.56 2.02 -0.31 -4.97 117.35 115.51 1ws5 s TYR 96 Ca 0.75 -0.84 0.00 0.00 -0.37 0.00 0.00 57.07 56.61 1ws5 s TYR 96 Cb -0.27 -1.72 0.00 0.00 -0.40 0.00 0.00 41.96 39.57 1ws5 s TYR 96 CO 0.32 -0.30 0.00 0.41 -1.57 0.00 0.00 175.55 174.41 1ws5 n GLY 97 N 3.36 -0.37 3.51 0.71 0.00 -1.26 -1.91 105.19 109.23 1ws5 n GLY 97 Ca -0.18 -1.88 -0.39 0.00 0.00 0.00 0.00 46.02 43.57 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 4.95 -1.30 1.61 1.01 -0.20 -4.88 120.40 121.60 1ws5 s VAL 98 Ca 0.00 -0.16 -0.10 0.00 0.00 0.00 0.00 61.98 61.73 1ws5 s VAL 98 Cb 0.00 -3.45 0.15 0.00 0.00 0.00 0.00 36.38 33.08 1ws5 s VAL 98 CO 0.00 0.14 1.94 0.35 0.00 0.00 0.00 175.10 177.53 1ws5 n THR 99 N 5.03 4.31 -3.77 3.92 -2.24 -1.26 -3.82 114.28 116.45 1ws5 n THR 99 Ca -0.14 -4.27 -0.13 0.00 -2.27 0.00 0.00 64.05 57.25 1ws5 n THR 99 Cb 0.50 -2.37 -0.10 0.00 -2.10 0.00 0.00 70.33 66.27 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 1.02 -0.22 0.00 3.42 0.15 -1.26 -5.11 113.70 111.70 1ws5 s SER 100 Ca 0.41 0.26 0.00 0.00 0.70 0.00 0.00 55.95 57.32 1ws5 s SER 100 Cb 0.11 0.43 0.00 0.00 -1.71 0.00 0.00 66.02 64.84 1ws5 s SER 100 CO -0.01 -0.31 0.00 0.61 1.20 0.00 0.00 173.24 174.73 1ws5 n GLY 101 N 1.93 0.25 3.54 9.45 0.00 -1.26 -4.56 105.19 114.53 1ws5 n GLY 101 Ca -0.18 -1.81 -0.37 0.00 0.00 0.00 0.00 46.02 43.66 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 4.94 0.70 2.61 2.01 0.30 -4.90 115.64 121.30 1ws5 s THR 102 Ca 0.00 0.04 -0.11 0.00 0.31 0.00 0.00 61.69 61.93 1ws5 s THR 102 Cb 0.00 -3.34 0.01 0.00 0.01 0.00 0.00 72.50 69.18 1ws5 s THR 102 CO 0.00 0.29 1.07 -2.16 -0.69 0.00 0.00 174.62 173.13 1ws5 s PRO 103 N 1.67 2.95 0.03 4.92 0.04 -1.26 -0.96 135.00 142.39 1ws5 s PRO 103 Ca 0.07 0.69 -0.17 0.00 0.04 0.00 0.00 61.00 61.62 1ws5 s PRO 103 Cb -0.16 -2.01 0.03 0.00 0.04 0.00 0.00 34.50 32.41 1ws5 s PRO 103 CO 0.08 -1.02 0.39 -0.59 0.04 0.00 0.00 177.00 175.90 1ws5 s PHE 104 N -3.20 -0.24 -0.21 0.56 -0.12 -0.70 -4.90 117.98 109.17 1ws5 s PHE 104 Ca 0.58 0.22 -0.25 0.00 -0.05 0.00 0.00 56.93 57.43 1ws5 s PHE 104 Cb -0.12 0.19 0.07 0.00 -0.63 0.00 0.00 43.02 42.52 1ws5 s PHE 104 CO 0.54 -0.54 0.66 0.54 -0.05 0.00 0.00 175.22 176.37 1ws5 s ASN 105 N -1.91 -0.68 -0.38 1.98 4.22 -1.26 -1.70 114.94 115.21 1ws5 s ASN 105 Ca -0.06 1.19 0.02 0.00 -2.14 0.00 0.00 52.86 51.87 1ws5 s ASN 105 Cb -0.01 1.18 0.12 0.00 1.28 0.00 0.00 41.25 43.81 1ws5 s ASN 105 CO -0.01 -0.31 0.16 -0.22 -2.04 0.00 0.00 177.10 174.67 1ws5 s LEU 106 N 0.00 3.07 0.24 3.54 2.96 0.12 -4.99 118.68 123.62 1ws5 s LEU 106 Ca -0.03 -2.24 -0.18 0.00 -0.22 0.00 0.00 54.13 51.47 1ws5 s LEU 106 Cb -0.04 -1.14 -0.08 0.00 0.50 0.00 0.00 46.19 45.43 1ws5 s LEU 106 CO 0.03 -0.34 0.71 -2.84 -1.32 0.00 0.00 176.35 172.59 1ws5 s PRO 107 N 0.83 4.15 -0.18 0.98 0.02 -1.26 -2.15 135.00 137.40 1ws5 s PRO 107 Ca 0.14 0.77 0.01 0.00 0.02 0.00 0.00 61.00 61.93 1ws5 s PRO 107 Cb -0.21 -2.77 0.02 0.00 0.02 0.00 0.00 34.50 31.56 1ws5 s PRO 107 CO -0.10 0.34 -0.19 0.42 -0.33 0.00 0.00 177.00 177.14 1ws5 s ILE 108 N -1.64 2.17 -0.05 2.83 -1.09 0.38 -4.98 121.20 118.83 1ws5 s ILE 108 Ca 0.45 -0.91 -0.08 0.00 -2.23 0.00 0.00 60.65 57.89 1ws5 s ILE 108 Cb -0.15 -1.91 -0.29 0.00 -1.58 0.00 0.00 42.46 38.53 1ws5 s ILE 108 CO 0.20 0.53 0.67 -0.33 -1.23 0.00 0.00 174.94 174.78 1ws5 h GLU 109 N 7.84 0.34 -2.92 2.79 5.08 -1.97 -3.47 114.58 122.27 1ws5 h GLU 109 Ca -0.43 -0.57 -0.20 0.00 -1.00 0.00 0.00 59.36 57.15 1ws5 h GLU 109 Cb 1.15 0.21 -0.31 0.00 0.50 0.00 0.00 28.75 30.31 1ws5 h GLU 109 CO 0.62 1.24 -0.50 1.21 -1.00 0.00 0.00 179.01 180.58 1ws5 s ASN 110 N -7.16 0.02 0.00 1.42 3.04 -1.26 -5.13 114.94 105.88 1ws5 s ASN 110 Ca -0.15 0.58 0.00 0.00 0.04 0.00 0.00 52.86 53.33 1ws5 s ASN 110 Cb 0.06 0.58 0.00 0.00 -1.54 0.00 0.00 41.25 40.35 1ws5 s ASN 110 CO 0.84 -0.20 0.00 0.61 -3.04 0.00 0.00 177.10 175.31 1ws5 n GLY 111 N 4.78 1.16 2.99 1.21 0.00 -1.26 -4.99 105.19 109.09 1ws5 n GLY 111 Ca -0.16 -2.15 -0.09 0.00 0.00 0.00 0.00 46.02 43.62 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 2.16 -0.16 0.99 1.43 0.11 -4.97 118.68 118.25 1ws5 s LEU 112 Ca 0.00 -0.46 -0.24 0.00 -1.03 0.00 0.00 54.13 52.40 1ws5 s LEU 112 Cb 0.00 0.16 -0.02 0.00 0.03 0.00 0.00 46.19 46.36 1ws5 s LEU 112 CO 0.00 -0.30 0.76 -0.63 0.23 0.00 0.00 176.35 176.41 1ws5 s ILE 113 N -1.43 4.94 -0.01 -0.59 1.01 -1.26 -1.11 121.20 122.74 1ws5 s ILE 113 Ca -0.16 1.50 0.02 0.00 0.00 0.00 0.00 60.65 62.01 1ws5 s ILE 113 Cb -0.10 -4.08 0.03 0.00 0.01 0.00 0.00 42.46 38.32 1ws5 s ILE 113 CO -0.01 0.08 0.92 1.33 0.00 0.00 0.00 174.94 177.26 1ws5 n VAL 114 N 4.58 0.87 -3.63 2.92 0.24 -0.01 -4.53 118.33 118.77 1ws5 n VAL 114 Ca 0.02 -0.90 -0.03 0.00 -2.04 0.00 0.00 64.34 61.39 1ws5 n VAL 114 Cb 0.49 0.53 -0.02 0.00 -1.47 0.00 0.00 33.84 33.37 1ws5 n VAL 114 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1ws5 s GLY 115 N -0.98 -0.23 0.05 7.63 0.00 -1.23 -0.04 107.32 112.52 1ws5 s GLY 115 Ca 0.03 1.81 0.02 0.00 0.00 0.00 0.00 44.72 46.58 1ws5 s GLY 115 CO 0.00 0.60 -0.08 -1.36 0.00 0.00 0.00 173.10 172.27 1ws5 s PHE 116 N -2.13 0.72 0.09 1.90 0.08 -1.25 -1.24 117.98 116.15 1ws5 s PHE 116 Ca 0.11 -0.58 -0.13 0.00 0.12 0.00 0.00 56.93 56.45 1ws5 s PHE 116 Cb -0.01 -0.43 0.02 0.00 -0.57 0.00 0.00 43.02 42.03 1ws5 s PHE 116 CO -0.03 -0.10 0.30 -1.59 -0.10 0.00 0.00 175.22 173.70 1ws5 s LYS 117 N -2.02 0.93 0.00 0.44 -2.85 -1.06 -1.25 119.74 113.92 1ws5 s LYS 117 Ca -0.06 -0.77 0.00 0.00 -1.00 0.00 0.00 55.97 54.15 1ws5 s LYS 117 Cb -0.07 0.39 0.00 0.00 -2.06 0.00 0.00 37.83 36.10 1ws5 s LYS 117 CO -0.01 -0.33 0.00 0.41 0.10 0.00 0.00 175.35 175.53 1ws5 n GLY 118 N -0.00 -0.63 3.37 0.59 0.00 -0.24 -1.06 105.19 107.23 1ws5 n GLY 118 Ca -0.16 -0.57 -0.14 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.48 -0.04 1.61 0.15 -0.77 -0.78 113.70 109.39 1ws5 s SER 119 Ca 0.00 0.88 0.00 0.00 0.70 0.00 0.00 55.95 57.54 1ws5 s SER 119 Cb 0.00 0.91 0.02 0.00 -1.71 0.00 0.00 66.02 65.24 1ws5 s SER 119 CO 0.00 -0.21 -0.02 -0.63 1.20 0.00 0.00 173.24 173.59 1ws5 s ILE 120 N 0.07 0.34 0.00 6.45 1.01 -0.73 -0.32 121.20 128.02 1ws5 s ILE 120 Ca -0.02 0.01 0.00 0.00 0.00 0.00 0.00 60.65 60.65 1ws5 s ILE 120 Cb -0.03 -0.42 0.00 0.00 0.01 0.00 0.00 42.46 42.02 1ws5 s ILE 120 CO 0.01 0.19 0.00 0.61 0.00 0.00 0.00 174.94 175.75 1ws5 n GLY 121 N 4.24 1.26 0.18 6.18 0.00 -1.26 -0.74 105.19 115.04 1ws5 n GLY 121 Ca -0.23 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.71 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 0.50 -4.19 1.61 0.99 -1.95 -1.17 116.97 112.75 1ws5 h TYR 122 Ca 0.00 -0.20 -0.42 0.00 2.00 0.00 0.00 58.73 60.11 1ws5 h TYR 122 Cb 0.00 -0.08 -0.14 0.00 1.00 0.00 0.00 36.73 37.51 1ws5 h TYR 122 CO 0.00 0.93 -0.54 -1.58 -0.00 0.00 0.00 178.16 176.97 1ws5 s TRP 123 N -3.71 1.60 -0.46 4.88 0.51 -1.26 -4.46 118.94 116.04 1ws5 s TRP 123 Ca -0.05 -1.45 -0.28 0.00 -2.12 0.00 0.00 56.10 52.20 1ws5 s TRP 123 Cb 0.11 -0.80 -0.00 0.00 -0.81 0.00 0.00 33.47 31.96 1ws5 s TRP 123 CO 0.83 -0.62 1.61 -1.17 -0.51 0.00 0.00 176.95 177.09 1ws5 s LEU 124 N -3.36 3.46 0.05 2.99 2.96 -0.32 -4.35 118.68 120.11 1ws5 s LEU 124 Ca 0.37 0.75 -0.20 0.00 -0.22 0.00 0.00 54.13 54.82 1ws5 s LEU 124 Cb 0.04 -3.23 -0.12 0.00 0.50 0.00 0.00 46.19 43.38 1ws5 s LEU 124 CO 0.19 -1.76 1.43 0.44 -1.32 0.00 0.00 176.35 175.34 1ws5 h ASP 125 N 12.22 0.34 -5.04 3.68 3.32 -0.98 0.77 116.42 130.72 1ws5 h ASP 125 Ca -0.29 -0.38 0.16 0.00 0.02 0.00 0.00 57.03 56.53 1ws5 h ASP 125 Cb 1.13 -0.09 -0.11 0.00 0.22 0.00 0.00 39.33 40.47 1ws5 h ASP 125 CO 1.12 0.65 0.51 -0.72 -1.72 0.00 0.00 179.24 179.07 1ws5 s TYR 126 N -4.68 -0.22 0.05 4.55 -0.85 -1.23 -4.22 117.35 110.75 1ws5 s TYR 126 Ca -0.14 -0.00 -0.25 0.00 -0.52 0.00 0.00 57.07 56.16 1ws5 s TYR 126 Cb 0.06 0.59 0.06 0.00 0.38 0.00 0.00 41.96 43.05 1ws5 s TYR 126 CO 0.74 -0.67 0.58 -0.59 -1.52 0.00 0.00 175.55 174.08 1ws5 s PHE 127 N -3.17 -0.51 0.21 -3.49 -0.71 -1.26 -1.84 117.98 107.20 1ws5 s PHE 127 Ca 0.09 0.61 0.03 0.00 -1.04 0.00 0.00 56.93 56.62 1ws5 s PHE 127 Cb -0.01 0.41 -0.05 0.00 -1.21 0.00 0.00 43.02 42.16 1ws5 s PHE 127 CO -0.03 -0.68 -0.01 -1.12 -1.34 0.00 0.00 175.22 172.04 1ws5 s SER 128 N -1.95 1.61 0.01 1.98 0.01 -0.23 -4.97 113.70 110.16 1ws5 s SER 128 Ca -0.05 -1.19 0.04 0.00 1.31 0.00 0.00 55.95 56.05 1ws5 s SER 128 Cb -0.01 0.05 -0.01 0.00 0.21 0.00 0.00 66.02 66.26 1ws5 s SER 128 CO -0.01 -0.52 -0.12 -0.04 0.41 0.00 0.00 173.24 172.96 1ws5 s MET 129 N -3.87 0.88 -0.02 12.44 -1.94 -1.26 -2.56 119.30 122.97 1ws5 s MET 129 Ca 0.26 -0.50 -0.22 0.00 -1.71 0.00 0.00 55.69 53.52 1ws5 s MET 129 Cb 0.06 -0.85 -0.05 0.00 2.01 0.00 0.00 34.83 36.00 1ws5 s MET 129 CO 0.07 0.22 0.63 0.71 -0.01 0.00 0.00 175.02 176.64 1ws5 s TYR 130 N -0.46 3.66 0.03 -0.03 1.51 -0.37 -4.98 117.35 116.71 1ws5 s TYR 130 Ca 0.03 1.23 0.08 0.00 -1.01 0.00 0.00 57.07 57.40 1ws5 s TYR 130 Cb -0.05 -2.67 -0.03 0.00 -0.11 0.00 0.00 41.96 39.10 1ws5 s TYR 130 CO 0.00 0.28 -0.24 -0.51 -1.11 0.00 0.00 175.55 173.96 1ws5 s LEU 131 N 0.08 2.14 0.22 -1.29 1.43 -1.26 -0.83 118.68 119.17 1ws5 s LEU 131 Ca 0.33 -0.54 -0.19 0.00 -1.03 0.00 0.00 54.13 52.71 1ws5 s LEU 131 Cb -0.18 -1.19 0.03 0.00 0.03 0.00 0.00 46.19 44.87 1ws5 s LEU 131 CO 0.18 0.24 0.59 -0.55 0.23 0.00 0.00 176.35 177.04 1ws5 s SER 132 N -1.07 -0.28 0.00 2.29 0.15 -0.27 -4.93 113.70 109.59 1ws5 s SER 132 Ca 0.10 -0.52 0.28 0.00 0.70 0.00 0.00 55.95 56.51 1ws5 s SER 132 Cb -0.09 0.63 1.10 0.00 -1.71 0.00 0.00 66.02 65.94 1ws5 s SER 132 CO 0.01 -1.15 1.77 0.18 1.20 0.00 0.00 173.24 175.26