#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ws4 s LYS 2 N 0.00 3.90 0.57 1.61 2.20 -0.33 -4.73 119.74 122.96 1ws4 s LYS 2 Ca 0.00 0.59 -0.17 0.00 -0.36 0.00 0.00 55.97 56.03 1ws4 s LYS 2 Cb 0.00 -3.77 -0.04 0.00 -1.51 0.00 0.00 37.83 32.51 1ws4 s LYS 2 CO 0.00 -0.82 1.08 0.00 -0.36 0.00 0.00 175.35 175.26 1ws4 s ALA 3 N 3.22 2.70 0.04 3.13 0.00 -1.26 -1.83 121.76 127.76 1ws4 s ALA 3 Ca 0.35 0.57 -0.08 0.00 0.00 0.00 0.00 51.96 52.80 1ws4 s ALA 3 Cb -0.13 -3.28 -0.00 0.00 0.00 0.00 0.00 23.12 19.70 1ws4 s ALA 3 CO 0.15 -0.79 0.17 -0.59 0.00 0.00 0.00 175.76 174.70 1ws4 s PHE 4 N -2.17 0.11 -0.28 0.00 -0.71 -0.06 -4.95 117.98 109.92 1ws4 s PHE 4 Ca 0.67 -0.38 0.00 0.00 -1.04 0.00 0.00 56.93 56.19 1ws4 s PHE 4 Cb -0.19 -0.07 0.15 0.00 -1.21 0.00 0.00 43.02 41.71 1ws4 s PHE 4 CO 0.32 -0.43 0.38 0.34 -1.34 0.00 0.00 175.22 174.50 1ws4 s ASP 5 N -2.19 0.53 0.32 1.98 -1.08 -1.26 -1.22 116.67 113.75 1ws4 s ASP 5 Ca -0.04 -0.26 0.13 0.00 -0.52 0.00 0.00 52.55 51.87 1ws4 s ASP 5 Cb -0.00 1.02 0.52 0.00 -1.46 0.00 0.00 42.92 43.00 1ws4 s ASP 5 CO -0.05 -0.34 1.69 0.44 0.52 0.00 0.00 175.17 177.43 1ws4 h ASP 6 N 8.18 0.00 -3.97 -0.34 3.32 -1.60 -3.49 116.42 118.52 1ws4 h ASP 6 Ca -0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.93 1ws4 h ASP 6 Cb 1.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.67 1ws4 h ASP 6 CO 0.28 0.50 0.00 0.61 -1.72 0.00 0.00 179.24 178.91 1ws4 n GLY 7 N 0.11 -1.85 3.74 2.75 0.00 -1.25 -4.96 105.19 103.73 1ws4 n GLY 7 Ca -0.01 -1.76 -0.34 0.00 0.00 0.00 0.00 46.02 43.91 1ws4 n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ws4 s ALA 8 N -1.54 3.45 0.00 4.61 0.00 -1.26 -3.96 121.76 123.06 1ws4 s ALA 8 Ca 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.14 1ws4 s ALA 8 Cb 0.00 -1.55 0.00 0.00 0.00 0.00 0.00 23.12 21.57 1ws4 s ALA 8 CO 0.00 0.63 0.00 1.19 0.00 0.00 0.00 175.76 177.58 1ws4 n PHE 9 N 1.74 0.00 0.10 0.00 3.01 0.39 -5.00 117.46 117.70 1ws4 n PHE 9 Ca -0.17 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.39 1ws4 n PHE 9 Cb 0.53 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 40.00 1ws4 n PHE 9 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 1ws4 h THR 10 N 0.41 0.11 0.00 4.37 2.02 -1.51 -3.46 112.91 114.84 1ws4 h THR 10 Ca 0.00 -1.21 0.00 0.00 0.77 0.00 0.00 66.41 65.97 1ws4 h THR 10 Cb 0.00 1.65 0.00 0.00 -1.74 0.00 0.00 68.15 68.06 1ws4 h THR 10 CO 0.00 0.06 0.00 0.61 0.37 0.00 0.00 175.52 176.56 1ws4 n GLY 11 N 1.22 -1.49 3.18 2.16 0.00 -1.17 -4.94 105.19 104.15 1ws4 n GLY 11 Ca -0.01 -1.02 -0.29 0.00 0.00 0.00 0.00 46.02 44.69 1ws4 n GLY 11 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ws4 s ILE 12 N -2.55 1.77 -0.14 -0.61 1.01 -1.26 -1.37 121.20 118.05 1ws4 s ILE 12 Ca 0.00 -0.88 0.04 0.00 0.00 0.00 0.00 60.65 59.81 1ws4 s ILE 12 Cb 0.00 -1.53 -0.11 0.00 0.01 0.00 0.00 42.46 40.83 1ws4 s ILE 12 CO 0.00 0.50 -0.09 0.54 0.00 0.00 0.00 174.94 175.89 1ws4 n ARG 13 N 3.33 0.82 -3.67 2.79 1.74 -0.24 -4.78 116.66 116.65 1ws4 n ARG 13 Ca -0.19 0.06 -0.14 0.00 -0.77 0.00 0.00 57.85 56.81 1ws4 n ARG 13 Cb 0.52 -1.30 -0.08 0.00 -1.02 0.00 0.00 32.46 30.58 1ws4 n ARG 13 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1ws4 s GLU 14 N -2.29 0.69 -0.07 5.56 2.12 -0.87 -1.33 118.70 122.50 1ws4 s GLU 14 Ca -0.16 0.74 0.05 0.00 0.36 0.00 0.00 54.97 55.95 1ws4 s GLU 14 Cb 0.05 0.34 -0.01 0.00 0.26 0.00 0.00 34.13 34.77 1ws4 s GLU 14 CO 0.38 -0.10 -0.24 0.42 -0.54 0.00 0.00 175.26 175.18 1ws4 s ILE 15 N 0.17 1.98 -0.17 -3.70 1.09 -0.38 -0.02 121.20 120.17 1ws4 s ILE 15 Ca -0.01 -1.00 0.01 0.00 -1.10 0.00 0.00 60.65 58.54 1ws4 s ILE 15 Cb -0.04 -1.69 0.02 0.00 -1.06 0.00 0.00 42.46 39.69 1ws4 s ILE 15 CO 0.01 0.55 -0.16 0.20 -0.10 0.00 0.00 174.94 175.44 1ws4 s ASN 16 N 0.08 2.93 0.20 3.58 0.01 0.14 -0.35 114.94 121.53 1ws4 s ASN 16 Ca -0.10 -0.59 -0.00 0.00 -0.71 0.00 0.00 52.86 51.46 1ws4 s ASN 16 Cb -0.15 -1.31 -0.04 0.00 0.41 0.00 0.00 41.25 40.15 1ws4 s ASN 16 CO 0.06 -0.04 0.10 -1.48 -1.51 0.00 0.00 177.10 174.23 1ws4 s LEU 17 N 1.39 1.41 0.06 0.60 0.05 -0.72 -0.16 118.68 121.31 1ws4 s LEU 17 Ca 0.04 -1.34 0.01 0.00 0.05 0.00 0.00 54.13 52.90 1ws4 s LEU 17 Cb -0.13 0.28 -0.03 0.00 -2.05 0.00 0.00 46.19 44.25 1ws4 s LEU 17 CO -0.11 -0.78 -0.06 -0.94 -0.55 0.00 0.00 176.35 173.90 1ws4 s SER 18 N -3.17 0.81 0.24 1.48 1.04 -0.88 0.23 113.70 113.45 1ws4 s SER 18 Ca 0.35 -0.76 -0.10 0.00 0.48 0.00 0.00 55.95 55.92 1ws4 s SER 18 Cb 0.07 0.09 -0.01 0.00 0.10 0.00 0.00 66.02 66.27 1ws4 s SER 18 CO 0.10 -0.36 0.40 -0.72 0.98 0.00 0.00 173.24 173.64 1ws4 s TYR 19 N -2.49 0.55 -0.07 5.02 1.13 -0.53 -0.53 117.35 120.43 1ws4 s TYR 19 Ca -0.01 -0.88 0.00 0.00 -1.41 0.00 0.00 57.07 54.77 1ws4 s TYR 19 Cb -0.02 0.02 0.02 0.00 -1.10 0.00 0.00 41.96 40.87 1ws4 s TYR 19 CO -0.03 -0.91 -0.06 1.21 -2.51 0.00 0.00 175.55 173.25 1ws4 s ASN 20 N -3.05 1.55 0.10 -0.18 2.47 -0.94 0.35 114.94 115.23 1ws4 s ASN 20 Ca 0.26 -0.20 0.06 0.00 0.42 0.00 0.00 52.86 53.41 1ws4 s ASN 20 Cb 0.01 -0.62 0.32 0.00 -1.45 0.00 0.00 41.25 39.51 1ws4 s ASN 20 CO 0.10 -0.08 1.13 2.29 -3.72 0.00 0.00 177.10 176.82 1ws4 n LYS 21 N 4.45 0.04 -0.00 0.43 2.85 -1.26 -2.03 118.16 122.63 1ws4 n LYS 21 Ca -0.18 0.50 0.04 0.00 -1.05 0.00 0.00 58.31 57.62 1ws4 n LYS 21 Cb 0.51 -1.69 -0.06 0.00 -0.65 0.00 0.00 35.03 33.13 1ws4 n LYS 21 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1ws4 n GLU 22 N -1.67 2.08 0.00 -1.58 1.02 -1.26 -4.71 120.64 114.51 1ws4 n GLU 22 Ca -0.00 -0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 1ws4 n GLU 22 Cb 0.08 -1.08 0.00 0.00 -0.02 0.00 0.00 31.44 30.42 1ws4 n GLU 22 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1ws4 n THR 23 N -1.53 0.00 -2.79 2.62 -2.24 -0.86 -5.04 114.28 104.43 1ws4 n THR 23 Ca -0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1ws4 n THR 23 Cb 0.19 -0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.42 1ws4 n THR 23 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ws4 n ALA 24 N -3.00 0.00 -1.75 6.98 0.00 -1.23 -4.59 120.51 116.91 1ws4 n ALA 24 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 1ws4 n ALA 24 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1ws4 n ALA 24 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1ws4 s ILE 25 N -2.89 3.84 0.00 0.00 1.01 -1.05 -2.22 121.20 119.88 1ws4 s ILE 25 Ca 0.00 1.84 0.00 0.00 0.00 0.00 0.00 60.65 62.49 1ws4 s ILE 25 Cb 0.00 -4.17 0.00 0.00 0.01 0.00 0.00 42.46 38.30 1ws4 s ILE 25 CO 0.00 0.43 0.00 0.61 0.00 0.00 0.00 174.94 175.98 1ws4 n GLY 26 N 1.34 0.07 3.83 6.18 0.00 0.31 -1.49 105.19 115.44 1ws4 n GLY 26 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 1ws4 n GLY 26 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ws4 s ASP 27 N -0.08 6.80 -0.13 1.61 1.01 -1.25 -4.31 116.67 120.32 1ws4 s ASP 27 Ca 0.00 1.56 -0.06 0.00 0.71 0.00 0.00 52.55 54.77 1ws4 s ASP 27 Cb 0.00 -2.49 0.06 0.00 1.01 0.00 0.00 42.92 41.49 1ws4 s ASP 27 CO 0.00 -0.41 0.29 0.12 0.21 0.00 0.00 175.17 175.39 1ws4 s PHE 28 N -2.29 -0.45 -0.14 4.23 5.36 -0.12 -2.07 117.98 122.51 1ws4 s PHE 28 Ca 0.59 0.99 -0.12 0.00 -0.96 0.00 0.00 56.93 57.44 1ws4 s PHE 28 Cb -0.09 0.07 0.04 0.00 -0.34 0.00 0.00 43.02 42.69 1ws4 s PHE 28 CO 0.20 -0.32 0.37 -1.14 -1.46 0.00 0.00 175.22 172.87 1ws4 s GLN 29 N 1.83 0.42 -0.01 10.12 -0.44 0.77 -1.40 119.66 130.94 1ws4 s GLN 29 Ca -0.05 0.54 0.06 0.00 -2.50 0.00 0.00 55.36 53.41 1ws4 s GLN 29 Cb -0.11 0.18 -0.01 0.00 -1.64 0.00 0.00 33.01 31.42 1ws4 s GLN 29 CO -0.10 -0.06 -0.19 0.08 0.50 0.00 0.00 175.29 175.52 1ws4 s VAL 30 N 0.34 1.50 -0.38 1.34 1.01 -1.26 0.29 120.40 123.24 1ws4 s VAL 30 Ca -0.01 -0.82 -0.11 0.00 0.00 0.00 0.00 61.98 61.04 1ws4 s VAL 30 Cb -0.03 -1.25 0.03 0.00 0.00 0.00 0.00 36.38 35.13 1ws4 s VAL 30 CO -0.01 0.42 0.21 -0.69 0.00 0.00 0.00 175.10 175.03 1ws4 s VAL 31 N -0.45 4.59 0.62 2.92 1.01 0.97 -0.71 120.40 129.35 1ws4 s VAL 31 Ca 0.07 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.19 1ws4 s VAL 31 Cb -0.07 -3.57 0.07 0.00 0.00 0.00 0.00 36.38 32.81 1ws4 s VAL 31 CO -0.01 -0.24 0.87 -0.31 0.00 0.00 0.00 175.10 175.41 1ws4 s TYR 32 N 1.56 2.42 -0.09 5.22 1.51 0.42 -1.08 117.35 127.32 1ws4 s TYR 32 Ca 0.02 -0.07 -0.01 0.00 -1.01 0.00 0.00 57.07 56.00 1ws4 s TYR 32 Cb -0.19 -2.86 -0.03 0.00 -0.11 0.00 0.00 41.96 38.77 1ws4 s TYR 32 CO 0.07 -1.20 -0.04 0.34 -1.11 0.00 0.00 175.55 173.61 1ws4 s ASP 33 N -4.54 4.84 -0.35 2.29 2.15 -0.47 -0.17 116.67 120.42 1ws4 s ASP 33 Ca 0.61 0.01 0.01 0.00 0.43 0.00 0.00 52.55 53.60 1ws4 s ASP 33 Cb -0.09 -1.34 0.11 0.00 -0.30 0.00 0.00 42.92 41.30 1ws4 s ASP 33 CO 0.41 0.34 0.13 -0.22 -0.17 0.00 0.00 175.17 175.66 1ws4 s LEU 34 N -0.67 2.71 -1.50 -1.34 2.96 0.13 -1.44 118.68 119.53 1ws4 s LEU 34 Ca 0.10 -2.00 -0.12 0.00 -0.22 0.00 0.00 54.13 51.88 1ws4 s LEU 34 Cb -0.12 -1.02 0.07 0.00 0.50 0.00 0.00 46.19 45.63 1ws4 s LEU 34 CO 0.02 -0.37 0.99 0.59 -1.32 0.00 0.00 176.35 176.27 1ws4 n ASN 35 N 4.38 -4.77 0.00 3.68 5.03 -1.26 -1.96 115.26 120.35 1ws4 n ASN 35 Ca 0.02 -0.75 0.00 0.00 0.87 0.00 0.00 54.58 54.72 1ws4 n ASN 35 Cb 0.40 -4.05 0.00 0.00 -1.02 0.00 0.00 39.78 35.11 1ws4 n ASN 35 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1ws4 n GLY 36 N -1.73 0.61 3.41 7.41 0.00 -1.26 -5.06 105.19 108.57 1ws4 n GLY 36 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 1ws4 n GLY 36 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ws4 s SER 37 N -2.58 3.60 0.43 1.61 0.01 -0.83 -5.10 113.70 110.84 1ws4 s SER 37 Ca 0.00 -0.37 -0.25 0.00 1.31 0.00 0.00 55.95 56.64 1ws4 s SER 37 Cb 0.00 -0.59 -0.08 0.00 0.21 0.00 0.00 66.02 65.56 1ws4 s SER 37 CO 0.00 0.31 1.29 -2.84 0.41 0.00 0.00 173.24 172.41 1ws4 s PRO 38 N -0.93 3.84 -0.12 12.44 0.02 -1.26 0.19 135.00 149.18 1ws4 s PRO 38 Ca 0.12 2.11 -0.03 0.00 0.02 0.00 0.00 61.00 63.22 1ws4 s PRO 38 Cb -0.10 -2.65 0.04 0.00 0.02 0.00 0.00 34.50 31.81 1ws4 s PRO 38 CO 0.01 -0.58 0.04 -0.47 -0.33 0.00 0.00 177.00 175.67 1ws4 s TYR 39 N -1.31 0.60 -0.36 6.54 6.14 0.77 -4.80 117.35 124.93 1ws4 s TYR 39 Ca 0.60 -0.35 -0.29 0.00 0.64 0.00 0.00 57.07 57.67 1ws4 s TYR 39 Cb -0.37 -0.80 0.02 0.00 0.42 0.00 0.00 41.96 41.23 1ws4 s TYR 39 CO 0.47 -0.43 1.07 0.08 0.64 0.00 0.00 175.55 177.38 1ws4 s VAL 40 N 2.00 4.45 0.74 3.14 1.01 -1.26 -0.43 120.40 130.04 1ws4 s VAL 40 Ca 0.03 1.55 -0.11 0.00 0.00 0.00 0.00 61.98 63.45 1ws4 s VAL 40 Cb -0.14 -4.45 0.03 0.00 0.00 0.00 0.00 36.38 31.82 1ws4 s VAL 40 CO -0.06 -0.61 1.07 -0.83 0.00 0.00 0.00 175.10 174.67 1ws4 s GLY 41 N 1.87 1.65 0.44 4.51 0.00 0.12 -4.98 107.32 110.93 1ws4 s GLY 41 Ca 0.45 0.02 -0.25 0.00 0.00 0.00 0.00 44.72 44.94 1ws4 s GLY 41 CO 0.19 0.37 1.32 1.20 0.00 0.00 0.00 173.10 176.19 1ws4 s GLN 42 N -5.06 3.76 -0.17 2.90 -1.52 -1.26 -4.64 119.66 113.67 1ws4 s GLN 42 Ca 0.59 2.18 -0.28 0.00 -1.95 0.00 0.00 55.36 55.91 1ws4 s GLN 42 Cb -0.15 -2.62 -0.01 0.00 -0.22 0.00 0.00 33.01 30.01 1ws4 s GLN 42 CO 0.55 -0.67 0.95 1.21 -0.25 0.00 0.00 175.29 177.08 1ws4 s ASN 43 N -0.78 7.08 -0.50 5.90 3.84 -1.26 -4.58 114.94 124.64 1ws4 s ASN 43 Ca 0.61 1.34 -0.15 0.00 0.21 0.00 0.00 52.86 54.87 1ws4 s ASN 43 Cb -0.39 -2.51 0.10 0.00 -0.55 0.00 0.00 41.25 37.91 1ws4 s ASN 43 CO 0.49 -0.51 0.44 -1.00 -2.79 0.00 0.00 177.10 173.72 1ws4 s HIS 44 N 2.49 3.26 0.05 0.43 3.76 -0.50 -5.00 115.29 119.79 1ws4 s HIS 44 Ca 0.43 -1.20 -0.04 0.00 -0.15 0.00 0.00 55.06 54.10 1ws4 s HIS 44 Cb -0.17 -3.48 -0.05 0.00 1.11 0.00 0.00 32.58 29.99 1ws4 s HIS 44 CO 0.12 -0.92 0.27 0.15 -0.85 0.00 0.00 174.74 173.50 1ws4 s LYS 45 N 1.59 3.53 0.70 1.40 1.02 -1.26 -0.94 119.74 125.78 1ws4 s LYS 45 Ca 0.04 -0.21 -0.14 0.00 0.02 0.00 0.00 55.97 55.68 1ws4 s LYS 45 Cb -0.27 -3.01 0.02 0.00 -0.52 0.00 0.00 37.83 34.05 1ws4 s LYS 45 CO 0.04 0.60 1.11 0.45 -0.92 0.00 0.00 175.35 176.63 1ws4 s SER 46 N -2.13 4.85 0.31 2.83 0.15 -1.26 -4.84 113.70 113.61 1ws4 s SER 46 Ca 0.33 1.96 0.26 0.00 0.70 0.00 0.00 55.95 59.20 1ws4 s SER 46 Cb -0.13 -2.54 0.98 0.00 -1.71 0.00 0.00 66.02 62.62 1ws4 s SER 46 CO 0.22 -1.80 1.77 -0.26 1.20 0.00 0.00 173.24 174.36 1ws4 h PHE 47 N -0.37 0.00 -1.29 3.44 0.04 -1.25 -3.45 116.94 114.05 1ws4 h PHE 47 Ca -0.46 0.00 -0.63 0.00 2.80 0.00 0.00 57.97 59.68 1ws4 h PHE 47 Cb 1.24 0.00 -0.13 0.00 2.20 0.00 0.00 35.95 39.26 1ws4 h PHE 47 CO 0.55 0.00 -0.51 0.96 -0.60 0.00 0.00 178.31 178.71 1ws4 s ILE 48 N -3.33 0.92 0.10 -0.55 -4.36 -1.26 -5.03 121.20 107.69 1ws4 s ILE 48 Ca 0.05 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.44 1ws4 s ILE 48 Cb 0.10 -2.23 0.00 0.00 1.25 0.00 0.00 42.46 41.58 1ws4 s ILE 48 CO 0.48 0.00 0.01 0.35 0.24 0.00 0.00 174.94 176.02 1ws4 n THR 49 N -1.13 0.00 0.00 8.37 -2.24 -1.26 -4.89 114.28 113.13 1ws4 n THR 49 Ca -0.14 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 1ws4 n THR 49 Cb 0.66 0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.90 1ws4 n THR 49 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ws4 n GLY 50 N 3.78 1.00 3.93 3.38 0.00 -1.26 -5.10 105.19 110.92 1ws4 n GLY 50 Ca -0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.73 1ws4 n GLY 50 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ws4 s PHE 51 N -2.00 3.51 -0.27 1.61 0.08 -1.26 -4.84 117.98 114.81 1ws4 s PHE 51 Ca 0.00 0.46 -0.10 0.00 0.12 0.00 0.00 56.93 57.41 1ws4 s PHE 51 Cb 0.00 -1.99 -0.05 0.00 -0.57 0.00 0.00 43.02 40.42 1ws4 s PHE 51 CO 0.00 0.07 0.16 0.99 -0.10 0.00 0.00 175.22 176.34 1ws4 s THR 52 N -2.35 5.10 0.40 0.64 2.01 0.15 -4.84 115.64 116.77 1ws4 s THR 52 Ca 0.42 0.10 -0.23 0.00 0.31 0.00 0.00 61.69 62.28 1ws4 s THR 52 Cb -0.10 -3.42 -0.09 0.00 0.01 0.00 0.00 72.50 68.90 1ws4 s THR 52 CO 0.37 0.28 1.01 -2.16 -0.69 0.00 0.00 174.62 173.42 1ws4 s PRO 53 N 1.65 4.21 -0.02 4.92 0.04 -1.26 -1.45 135.00 143.08 1ws4 s PRO 53 Ca 0.07 1.39 0.01 0.00 0.04 0.00 0.00 61.00 62.50 1ws4 s PRO 53 Cb -0.16 -2.46 0.01 0.00 0.04 0.00 0.00 34.50 31.93 1ws4 s PRO 53 CO 0.09 -0.08 -0.03 0.08 0.04 0.00 0.00 177.00 177.10 1ws4 s VAL 54 N -1.79 0.33 -0.17 -0.36 1.01 0.13 -4.96 120.40 114.59 1ws4 s VAL 54 Ca 0.58 -0.08 -0.00 0.00 0.00 0.00 0.00 61.98 62.48 1ws4 s VAL 54 Cb -0.18 -0.34 0.00 0.00 0.00 0.00 0.00 36.38 35.85 1ws4 s VAL 54 CO 0.23 0.14 -0.14 -0.75 0.00 0.00 0.00 175.10 174.59 1ws4 s LYS 55 N 0.51 3.22 -0.45 2.72 2.20 -1.26 -1.76 119.74 124.91 1ws4 s LYS 55 Ca -0.05 -0.73 -0.05 0.00 -0.36 0.00 0.00 55.97 54.77 1ws4 s LYS 55 Cb -0.09 -2.69 0.12 0.00 -1.51 0.00 0.00 37.83 33.66 1ws4 s LYS 55 CO -0.01 -0.06 0.28 0.42 -0.36 0.00 0.00 175.35 175.62 1ws4 s ILE 56 N 1.01 3.65 -0.43 5.43 -1.09 0.53 -5.00 121.20 125.30 1ws4 s ILE 56 Ca -0.01 -2.05 -0.17 0.00 -2.23 0.00 0.00 60.65 56.19 1ws4 s ILE 56 Cb -0.15 -3.45 0.03 0.00 -1.58 0.00 0.00 42.46 37.30 1ws4 s ILE 56 CO -0.03 -0.74 0.44 -0.55 -1.23 0.00 0.00 174.94 172.84 1ws4 s SER 57 N 2.02 6.19 0.31 3.58 0.15 -1.26 -1.25 113.70 123.44 1ws4 s SER 57 Ca 0.08 -0.72 -0.14 0.00 0.70 0.00 0.00 55.95 55.87 1ws4 s SER 57 Cb -0.24 -2.22 -0.09 0.00 -1.71 0.00 0.00 66.02 61.77 1ws4 s SER 57 CO -0.03 -0.60 0.70 -0.76 1.20 0.00 0.00 173.24 173.76 1ws4 s LEU 58 N 2.13 4.07 -1.32 3.45 1.43 -0.44 -4.98 118.68 123.02 1ws4 s LEU 58 Ca 0.12 1.21 -0.10 0.00 -1.03 0.00 0.00 54.13 54.33 1ws4 s LEU 58 Cb -0.17 -4.01 0.14 0.00 0.03 0.00 0.00 46.19 42.18 1ws4 s LEU 58 CO 0.13 -0.19 1.98 -0.67 0.23 0.00 0.00 176.35 177.83 1ws4 n ASP 59 N -0.38 5.15 -4.76 2.29 2.03 -1.26 -4.85 116.55 114.76 1ws4 n ASP 59 Ca 0.03 -3.07 -0.41 0.00 0.52 0.00 0.00 54.79 51.86 1ws4 n ASP 59 Cb 0.53 -1.50 -0.02 0.00 -0.72 0.00 0.00 41.12 39.41 1ws4 n ASP 59 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1ws4 s PHE 60 N 0.72 2.96 -2.69 -0.67 5.36 -1.26 -1.04 117.98 121.37 1ws4 s PHE 60 Ca 0.42 1.26 0.24 0.00 -0.96 0.00 0.00 56.93 57.89 1ws4 s PHE 60 Cb 0.11 -3.78 0.38 0.00 -0.34 0.00 0.00 43.02 39.40 1ws4 s PHE 60 CO -0.02 -2.28 1.37 -0.35 -1.46 0.00 0.00 175.22 172.49 1ws4 n PRO 61 N 1.17 2.34 0.17 10.12 -0.04 -1.26 -4.88 135.00 142.63 1ws4 n PRO 61 Ca 0.02 -1.99 0.02 0.00 -0.04 0.00 0.00 63.50 61.50 1ws4 n PRO 61 Cb 0.41 -1.48 0.30 0.00 -0.04 0.00 0.00 33.50 32.69 1ws4 n PRO 61 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1ws4 h SER 62 N 4.32 0.00 -3.27 3.54 4.64 -1.80 -3.42 113.55 117.56 1ws4 h SER 62 Ca 0.00 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.69 1ws4 h SER 62 Cb 0.94 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 62.86 1ws4 h SER 62 CO 0.00 0.45 -0.59 -0.70 -0.87 0.00 0.00 176.83 175.12 1ws4 s GLU 63 N -3.90 3.79 0.06 4.77 2.12 -0.20 -4.95 118.70 120.39 1ws4 s GLU 63 Ca -0.02 -0.39 -0.11 0.00 0.36 0.00 0.00 54.97 54.82 1ws4 s GLU 63 Cb 0.13 -3.09 0.01 0.00 0.26 0.00 0.00 34.13 31.44 1ws4 s GLU 63 CO 0.73 0.32 0.23 1.52 -0.54 0.00 0.00 175.26 177.53 1ws4 s TYR 64 N 0.20 0.03 0.19 5.30 1.13 -1.26 -4.30 117.35 118.63 1ws4 s TYR 64 Ca 0.02 -0.30 -0.30 0.00 -1.41 0.00 0.00 57.07 55.08 1ws4 s TYR 64 Cb -0.13 0.01 -0.09 0.00 -1.10 0.00 0.00 41.96 40.65 1ws4 s TYR 64 CO 0.01 -0.50 1.39 0.42 -2.51 0.00 0.00 175.55 174.37 1ws4 s ILE 65 N -3.03 3.00 -0.01 -3.49 -1.09 -1.26 -2.52 121.20 112.80 1ws4 s ILE 65 Ca -0.02 0.79 0.07 0.00 -2.23 0.00 0.00 60.65 59.27 1ws4 s ILE 65 Cb 0.01 -3.50 -0.11 0.00 -1.58 0.00 0.00 42.46 37.27 1ws4 s ILE 65 CO -0.06 0.10 0.16 0.23 -1.23 0.00 0.00 174.94 174.14 1ws4 n MET 66 N 2.98 0.23 -3.65 2.79 2.81 0.16 -4.76 117.12 117.69 1ws4 n MET 66 Ca 0.08 -0.07 -0.13 0.00 -1.81 0.00 0.00 57.70 55.78 1ws4 n MET 66 Cb 0.41 -1.17 -0.07 0.00 -0.71 0.00 0.00 33.22 31.68 1ws4 n MET 66 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 1ws4 s GLU 67 N -2.50 0.77 -0.10 0.03 2.12 -0.88 -0.26 118.70 117.87 1ws4 s GLU 67 Ca -0.03 0.96 0.03 0.00 0.36 0.00 0.00 54.97 56.30 1ws4 s GLU 67 Cb 0.05 0.35 0.00 0.00 0.26 0.00 0.00 34.13 34.79 1ws4 s GLU 67 CO 0.30 -0.10 -0.21 0.08 -0.54 0.00 0.00 175.26 174.79 1ws4 s VAL 68 N 0.51 1.85 0.19 3.70 1.01 -0.83 -1.06 120.40 125.76 1ws4 s VAL 68 Ca -0.01 -0.89 -0.01 0.00 0.00 0.00 0.00 61.98 61.07 1ws4 s VAL 68 Cb -0.05 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 1ws4 s VAL 68 CO -0.01 0.51 0.10 -0.94 0.00 0.00 0.00 175.10 174.76 1ws4 s SER 69 N 0.49 0.36 0.00 3.32 1.04 -0.71 0.19 113.70 118.38 1ws4 s SER 69 Ca -0.16 -1.33 0.00 0.00 0.48 0.00 0.00 55.95 54.94 1ws4 s SER 69 Cb -0.17 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.27 1ws4 s SER 69 CO 0.06 -0.79 0.00 0.61 0.98 0.00 0.00 173.24 174.11 1ws4 n GLY 70 N -0.24 -0.70 2.93 7.32 0.00 -0.52 -0.53 105.19 113.44 1ws4 n GLY 70 Ca -0.01 -0.72 -0.12 0.00 0.00 0.00 0.00 46.02 45.18 1ws4 n GLY 70 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ws4 s TYR 71 N -3.00 0.18 0.04 1.61 1.51 -0.92 -1.81 117.35 114.96 1ws4 s TYR 71 Ca 0.00 -0.19 0.08 0.00 -1.01 0.00 0.00 57.07 55.95 1ws4 s TYR 71 Cb 0.00 -0.12 -0.03 0.00 -0.11 0.00 0.00 41.96 41.70 1ws4 s TYR 71 CO 0.00 -0.06 -0.23 0.95 -1.11 0.00 0.00 175.55 175.10 1ws4 s THR 72 N -0.51 2.37 0.16 -0.71 -4.23 -0.06 -0.25 115.64 112.41 1ws4 s THR 72 Ca -0.05 -1.29 -0.24 0.00 -1.18 0.00 0.00 61.69 58.93 1ws4 s THR 72 Cb -0.04 -1.95 0.07 0.00 1.34 0.00 0.00 72.50 71.93 1ws4 s THR 72 CO -0.00 0.37 1.02 -0.83 -0.54 0.00 0.00 174.62 174.64 1ws4 s GLY 73 N -1.26 -0.09 0.00 3.99 0.00 -0.09 -0.52 107.32 109.35 1ws4 s GLY 73 Ca 0.13 -0.04 -0.26 0.00 0.00 0.00 0.00 44.72 44.54 1ws4 s GLY 73 CO 0.03 1.05 0.81 0.21 0.00 0.00 0.00 173.10 175.20 1ws4 s ASN 74 N -3.15 7.20 -0.17 1.64 3.84 -1.26 -0.70 114.94 122.34 1ws4 s ASN 74 Ca 0.17 1.44 -0.03 0.00 0.21 0.00 0.00 52.86 54.65 1ws4 s ASN 74 Cb -0.01 -2.48 0.06 0.00 -0.55 0.00 0.00 41.25 38.26 1ws4 s ASN 74 CO 0.03 -0.10 0.04 -0.69 -2.79 0.00 0.00 177.10 173.59 1ws4 s VAL 75 N 0.49 0.40 -1.45 -5.21 1.01 0.11 -4.82 120.40 110.92 1ws4 s VAL 75 Ca 0.42 -0.40 -0.09 0.00 0.00 0.00 0.00 61.98 61.91 1ws4 s VAL 75 Cb -0.20 -0.89 0.05 0.00 0.00 0.00 0.00 36.38 35.34 1ws4 s VAL 75 CO 0.23 -0.16 0.77 -1.20 0.00 0.00 0.00 175.10 174.74 1ws4 n SER 76 N 5.10 -5.13 0.00 3.32 7.64 -1.26 -1.38 113.62 121.91 1ws4 n SER 76 Ca -0.08 -0.50 0.00 0.00 1.01 0.00 0.00 58.87 59.30 1ws4 n SER 76 Cb 0.48 -4.13 0.00 0.00 -1.01 0.00 0.00 64.21 59.55 1ws4 n SER 76 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ws4 n GLY 77 N -1.54 1.09 3.46 0.23 0.00 -1.26 -5.04 105.19 102.12 1ws4 n GLY 77 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 1ws4 n GLY 77 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ws4 s TYR 78 N -3.01 2.86 -0.29 1.61 2.02 -0.48 -5.07 117.35 115.00 1ws4 s TYR 78 Ca 0.00 -0.35 -0.26 0.00 -0.37 0.00 0.00 57.07 56.09 1ws4 s TYR 78 Cb 0.00 -1.80 0.01 0.00 -0.40 0.00 0.00 41.96 39.76 1ws4 s TYR 78 CO 0.00 0.00 0.91 0.08 -1.57 0.00 0.00 175.55 174.97 1ws4 s VAL 79 N -0.07 4.71 0.29 0.71 1.01 -1.26 0.04 120.40 125.83 1ws4 s VAL 79 Ca -0.01 1.52 0.03 0.00 0.00 0.00 0.00 61.98 63.53 1ws4 s VAL 79 Cb -0.14 -4.24 -0.04 0.00 0.00 0.00 0.00 36.38 31.97 1ws4 s VAL 79 CO 0.03 -0.27 0.19 0.68 0.00 0.00 0.00 175.10 175.73 1ws4 s VAL 80 N 3.16 0.13 -0.45 2.92 -7.23 0.12 -4.80 120.40 114.25 1ws4 s VAL 80 Ca 0.38 -2.00 -0.25 0.00 -1.81 0.00 0.00 61.98 58.30 1ws4 s VAL 80 Cb -0.14 -2.50 0.03 0.00 0.56 0.00 0.00 36.38 34.33 1ws4 s VAL 80 CO 0.11 0.00 0.88 -0.69 -0.31 0.00 0.00 175.10 175.10 1ws4 s VAL 81 N -3.69 4.53 -0.17 1.32 1.01 0.00 -0.91 120.40 122.48 1ws4 s VAL 81 Ca 0.38 0.68 0.19 0.00 0.00 0.00 0.00 61.98 63.23 1ws4 s VAL 81 Cb 0.05 -4.39 -0.05 0.00 0.00 0.00 0.00 36.38 31.98 1ws4 s VAL 81 CO 0.19 -0.78 0.99 0.03 0.00 0.00 0.00 175.10 175.53 1ws4 h ARG 82 N 9.01 0.00 -2.89 2.72 3.08 -0.91 -2.78 114.38 122.61 1ws4 h ARG 82 Ca -0.24 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.71 1ws4 h ARG 82 Cb 1.08 0.00 -0.19 0.00 0.08 0.00 0.00 29.97 30.94 1ws4 h ARG 82 CO 1.00 0.20 -0.17 0.45 -1.07 0.00 0.00 179.97 180.39 1ws4 s SER 83 N -5.73 -0.28 0.00 7.04 0.15 -1.15 -0.97 113.70 112.77 1ws4 s SER 83 Ca -0.01 0.15 -0.02 0.00 0.70 0.00 0.00 55.95 56.77 1ws4 s SER 83 Cb 0.09 0.37 -0.01 0.00 -1.71 0.00 0.00 66.02 64.76 1ws4 s SER 83 CO 0.79 -0.52 0.03 -0.76 1.20 0.00 0.00 173.24 173.97 1ws4 s LEU 84 N -1.48 1.96 -0.02 3.45 1.43 -0.87 -2.15 118.68 121.00 1ws4 s LEU 84 Ca -0.11 -0.17 0.01 0.00 -1.03 0.00 0.00 54.13 52.82 1ws4 s LEU 84 Cb -0.03 0.19 0.02 0.00 0.03 0.00 0.00 46.19 46.39 1ws4 s LEU 84 CO 0.03 -0.17 -0.02 -0.89 0.23 0.00 0.00 176.35 175.54 1ws4 s THR 85 N -0.71 0.24 -0.17 5.49 2.01 0.31 -1.35 115.64 121.45 1ws4 s THR 85 Ca -0.08 -0.02 0.01 0.00 0.31 0.00 0.00 61.69 61.91 1ws4 s THR 85 Cb -0.05 -0.28 0.01 0.00 0.01 0.00 0.00 72.50 72.20 1ws4 s THR 85 CO -0.00 0.12 -0.19 -0.36 -0.69 0.00 0.00 174.62 173.51 1ws4 s PHE 86 N 0.59 2.77 -0.19 4.92 0.40 0.16 -1.74 117.98 124.89 1ws4 s PHE 86 Ca -0.06 -1.46 -0.04 0.00 -0.60 0.00 0.00 56.93 54.77 1ws4 s PHE 86 Cb -0.09 -1.91 -0.02 0.00 0.51 0.00 0.00 43.02 41.51 1ws4 s PHE 86 CO -0.01 -0.71 -0.04 0.21 0.70 0.00 0.00 175.22 175.36 1ws4 s LYS 87 N 1.16 3.49 0.57 0.44 2.20 -0.23 0.41 119.74 127.78 1ws4 s LYS 87 Ca 0.01 -0.59 0.06 0.00 -0.36 0.00 0.00 55.97 55.09 1ws4 s LYS 87 Cb -0.14 -2.95 0.05 0.00 -1.51 0.00 0.00 37.83 33.28 1ws4 s LYS 87 CO -0.08 -0.01 0.47 0.95 -0.36 0.00 0.00 175.35 176.32 1ws4 s THR 88 N 0.99 1.59 -1.62 3.43 -4.23 0.35 0.39 115.64 116.54 1ws4 s THR 88 Ca 0.00 -1.43 0.20 0.00 -1.18 0.00 0.00 61.69 59.28 1ws4 s THR 88 Cb -0.15 -2.02 0.43 0.00 1.34 0.00 0.00 72.50 72.10 1ws4 s THR 88 CO 0.01 0.00 1.62 -0.46 -0.54 0.00 0.00 174.62 175.24 1ws4 n ASN 89 N -1.87 0.00 -0.04 3.99 6.94 -1.05 -3.54 115.26 119.69 1ws4 n ASN 89 Ca 0.00 -0.21 -0.06 0.00 -0.02 0.00 0.00 54.58 54.29 1ws4 n ASN 89 Cb 0.64 -0.19 -0.04 0.00 -2.36 0.00 0.00 39.78 37.83 1ws4 n ASN 89 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1ws4 n LYS 90 N -1.19 0.90 -3.84 -3.83 5.02 -1.26 -5.06 118.16 108.89 1ws4 n LYS 90 Ca 0.11 0.04 -0.06 0.00 -2.02 0.00 0.00 58.31 56.38 1ws4 n LYS 90 Cb 0.13 -1.18 0.02 0.00 -0.02 0.00 0.00 35.03 33.98 1ws4 n LYS 90 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1ws4 s LYS 91 N -2.18 1.85 -0.16 1.97 0.00 -1.23 -5.15 119.74 114.84 1ws4 s LYS 91 Ca -0.10 -1.20 -0.02 0.00 0.00 0.00 0.00 55.97 54.65 1ws4 s LYS 91 Cb 0.03 0.51 -0.02 0.00 0.00 0.00 0.00 37.83 38.35 1ws4 s LYS 91 CO 0.23 -0.87 -0.07 0.99 0.00 0.00 0.00 175.35 175.63 1ws4 s THR 92 N -2.17 3.51 -0.31 3.79 2.01 -1.26 -0.49 115.64 120.71 1ws4 s THR 92 Ca 0.19 -0.49 -0.06 0.00 0.31 0.00 0.00 61.69 61.64 1ws4 s THR 92 Cb -0.04 -2.53 0.02 0.00 0.01 0.00 0.00 72.50 69.97 1ws4 s THR 92 CO 0.09 0.49 0.07 -0.31 -0.69 0.00 0.00 174.62 174.27 1ws4 s TYR 93 N 0.55 3.19 0.00 4.92 1.51 0.17 -4.99 117.35 122.70 1ws4 s TYR 93 Ca -0.05 -1.25 0.00 0.00 -1.01 0.00 0.00 57.07 54.76 1ws4 s TYR 93 Cb -0.15 -2.24 0.00 0.00 -0.11 0.00 0.00 41.96 39.46 1ws4 s TYR 93 CO 0.03 -0.66 0.00 0.41 -1.11 0.00 0.00 175.55 174.22 1ws4 n GLY 94 N 4.81 0.14 3.77 0.71 0.00 -1.26 -0.67 105.19 112.70 1ws4 n GLY 94 Ca -0.14 -2.27 -0.35 0.00 0.00 0.00 0.00 46.02 43.26 1ws4 n GLY 94 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ws4 s PRO 95 N 0.00 3.34 -0.12 1.61 0.04 -1.26 -4.99 135.00 133.63 1ws4 s PRO 95 Ca 0.00 1.63 0.02 0.00 0.04 0.00 0.00 61.00 62.69 1ws4 s PRO 95 Cb 0.00 -2.01 -0.01 0.00 0.04 0.00 0.00 34.50 32.52 1ws4 s PRO 95 CO 0.00 -0.86 -0.18 0.71 0.04 0.00 0.00 177.00 176.71 1ws4 s TYR 96 N -1.75 2.70 0.00 0.56 2.02 -0.45 -4.97 117.35 115.45 1ws4 s TYR 96 Ca 0.73 -0.86 0.00 0.00 -0.37 0.00 0.00 57.07 56.57 1ws4 s TYR 96 Cb -0.24 -1.79 0.00 0.00 -0.40 0.00 0.00 41.96 39.53 1ws4 s TYR 96 CO 0.27 -0.33 0.00 0.41 -1.57 0.00 0.00 175.55 174.33 1ws4 n GLY 97 N 3.58 -0.20 3.42 0.71 0.00 -1.26 -2.05 105.19 109.38 1ws4 n GLY 97 Ca -0.19 -1.90 -0.38 0.00 0.00 0.00 0.00 46.02 43.55 1ws4 n GLY 97 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ws4 s VAL 98 N 0.00 4.41 -1.36 1.61 1.01 -0.14 -4.84 120.40 121.08 1ws4 s VAL 98 Ca 0.00 -0.41 -0.11 0.00 0.00 0.00 0.00 61.98 61.45 1ws4 s VAL 98 Cb 0.00 -3.21 0.11 0.00 0.00 0.00 0.00 36.38 33.28 1ws4 s VAL 98 CO 0.00 0.13 2.06 0.35 0.00 0.00 0.00 175.10 177.64 1ws4 n THR 99 N 4.94 4.00 -3.78 3.92 -2.24 -1.26 -3.89 114.28 115.98 1ws4 n THR 99 Ca -0.15 -3.79 -0.13 0.00 -2.27 0.00 0.00 64.05 57.71 1ws4 n THR 99 Cb 0.49 -2.46 -0.10 0.00 -2.10 0.00 0.00 70.33 66.17 1ws4 n THR 99 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1ws4 s SER 100 N 1.81 -0.24 0.00 3.42 0.15 -1.26 -5.11 113.70 112.48 1ws4 s SER 100 Ca 0.43 0.34 0.00 0.00 0.70 0.00 0.00 55.95 57.42 1ws4 s SER 100 Cb 0.12 0.47 0.00 0.00 -1.71 0.00 0.00 66.02 64.90 1ws4 s SER 100 CO -0.04 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 174.76 1ws4 n GLY 101 N 2.18 0.13 3.54 9.45 0.00 -1.26 -4.58 105.19 114.65 1ws4 n GLY 101 Ca -0.17 -1.82 -0.37 0.00 0.00 0.00 0.00 46.02 43.66 1ws4 n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ws4 s THR 102 N 0.00 4.85 0.63 2.61 2.01 0.32 -4.90 115.64 121.16 1ws4 s THR 102 Ca 0.00 0.01 -0.11 0.00 0.31 0.00 0.00 61.69 61.90 1ws4 s THR 102 Cb 0.00 -3.28 -0.03 0.00 0.01 0.00 0.00 72.50 69.20 1ws4 s THR 102 CO 0.00 0.32 1.04 -2.16 -0.69 0.00 0.00 174.62 173.12 1ws4 s PRO 103 N 1.49 3.46 0.03 4.92 0.04 -1.26 -0.88 135.00 142.79 1ws4 s PRO 103 Ca 0.06 0.81 -0.16 0.00 0.04 0.00 0.00 61.00 61.75 1ws4 s PRO 103 Cb -0.15 -2.06 0.03 0.00 0.04 0.00 0.00 34.50 32.36 1ws4 s PRO 103 CO 0.06 -0.68 0.35 -0.59 0.04 0.00 0.00 177.00 176.18 1ws4 s PHE 104 N -3.13 -0.19 -0.24 0.56 -0.12 -0.75 -4.91 117.98 109.20 1ws4 s PHE 104 Ca 0.56 0.15 -0.25 0.00 -0.05 0.00 0.00 56.93 57.35 1ws4 s PHE 104 Cb -0.12 0.15 0.07 0.00 -0.63 0.00 0.00 43.02 42.49 1ws4 s PHE 104 CO 0.53 -0.50 0.69 0.54 -0.05 0.00 0.00 175.22 176.43 1ws4 s ASN 105 N -1.86 -0.71 -0.36 1.98 4.22 -1.26 -1.44 114.94 115.50 1ws4 s ASN 105 Ca -0.07 1.34 0.02 0.00 -2.14 0.00 0.00 52.86 52.00 1ws4 s ASN 105 Cb -0.02 1.34 0.11 0.00 1.28 0.00 0.00 41.25 43.96 1ws4 s ASN 105 CO -0.01 -0.27 0.12 -0.22 -2.04 0.00 0.00 177.10 174.68 1ws4 s LEU 106 N 0.23 3.30 0.20 3.54 2.96 0.13 -4.99 118.68 124.06 1ws4 s LEU 106 Ca -0.01 -2.10 -0.16 0.00 -0.22 0.00 0.00 54.13 51.63 1ws4 s LEU 106 Cb -0.04 -1.20 -0.08 0.00 0.50 0.00 0.00 46.19 45.36 1ws4 s LEU 106 CO 0.02 -0.36 0.64 -2.84 -1.32 0.00 0.00 176.35 172.49 1ws4 s PRO 107 N 0.99 4.09 -0.17 0.98 0.02 -1.26 -1.96 135.00 137.68 1ws4 s PRO 107 Ca 0.12 0.66 0.01 0.00 0.02 0.00 0.00 61.00 61.81 1ws4 s PRO 107 Cb -0.20 -2.83 0.01 0.00 0.02 0.00 0.00 34.50 31.50 1ws4 s PRO 107 CO -0.13 0.40 -0.18 0.42 -0.33 0.00 0.00 177.00 177.17 1ws4 s ILE 108 N -1.57 2.26 -0.07 2.83 -1.09 0.63 -4.97 121.20 119.23 1ws4 s ILE 108 Ca 0.42 -0.89 -0.08 0.00 -2.23 0.00 0.00 60.65 57.88 1ws4 s ILE 108 Cb -0.15 -1.95 -0.29 0.00 -1.58 0.00 0.00 42.46 38.50 1ws4 s ILE 108 CO 0.20 0.53 0.59 -0.33 -1.23 0.00 0.00 174.94 174.70 1ws4 h GLU 109 N 7.72 0.32 -3.02 2.79 5.08 -1.98 -3.47 114.58 122.03 1ws4 h GLU 109 Ca -0.41 -0.55 -0.22 0.00 -1.00 0.00 0.00 59.36 57.18 1ws4 h GLU 109 Cb 1.16 0.21 -0.32 0.00 0.50 0.00 0.00 28.75 30.30 1ws4 h GLU 109 CO 0.61 1.23 -0.53 1.21 -1.00 0.00 0.00 179.01 180.52 1ws4 s ASN 110 N -7.13 0.05 0.00 1.42 3.04 -1.26 -5.12 114.94 105.93 1ws4 s ASN 110 Ca -0.17 0.48 0.00 0.00 0.04 0.00 0.00 52.86 53.22 1ws4 s ASN 110 Cb 0.06 0.43 0.00 0.00 -1.54 0.00 0.00 41.25 40.20 1ws4 s ASN 110 CO 0.83 -0.19 0.00 0.61 -3.04 0.00 0.00 177.10 175.30 1ws4 n GLY 111 N 4.66 1.31 2.98 1.21 0.00 -1.26 -4.99 105.19 109.09 1ws4 n GLY 111 Ca -0.18 -2.17 -0.09 0.00 0.00 0.00 0.00 46.02 43.58 1ws4 n GLY 111 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ws4 s LEU 112 N 0.00 2.21 -0.14 0.99 1.43 0.87 -4.97 118.68 119.07 1ws4 s LEU 112 Ca 0.00 -0.48 -0.25 0.00 -1.03 0.00 0.00 54.13 52.37 1ws4 s LEU 112 Cb 0.00 0.12 -0.02 0.00 0.03 0.00 0.00 46.19 46.32 1ws4 s LEU 112 CO 0.00 -0.30 0.79 -0.63 0.23 0.00 0.00 176.35 176.44 1ws4 s ILE 113 N -1.44 4.93 0.00 -0.59 1.01 -1.26 -1.26 121.20 122.58 1ws4 s ILE 113 Ca -0.16 1.57 0.00 0.00 0.00 0.00 0.00 60.65 62.06 1ws4 s ILE 113 Cb -0.10 -4.11 0.00 0.00 0.01 0.00 0.00 42.46 38.27 1ws4 s ILE 113 CO -0.01 0.09 0.88 1.33 0.00 0.00 0.00 174.94 177.24 1ws4 n VAL 114 N 4.47 0.78 -3.63 2.92 0.24 0.07 -4.53 118.33 118.65 1ws4 n VAL 114 Ca 0.03 -0.84 -0.01 0.00 -2.04 0.00 0.00 64.34 61.48 1ws4 n VAL 114 Cb 0.50 0.63 -0.02 0.00 -1.47 0.00 0.00 33.84 33.47 1ws4 n VAL 114 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1ws4 s GLY 115 N -0.78 -0.26 0.07 7.63 0.00 -1.24 -0.46 107.32 112.29 1ws4 s GLY 115 Ca 0.00 1.73 0.03 0.00 0.00 0.00 0.00 44.72 46.48 1ws4 s GLY 115 CO 0.00 0.55 -0.09 -1.36 0.00 0.00 0.00 173.10 172.20 1ws4 s PHE 116 N -2.02 0.90 0.08 1.90 0.08 -1.25 -1.23 117.98 116.44 1ws4 s PHE 116 Ca 0.13 -0.63 -0.14 0.00 0.12 0.00 0.00 56.93 56.41 1ws4 s PHE 116 Cb 0.01 -0.51 0.02 0.00 -0.57 0.00 0.00 43.02 41.97 1ws4 s PHE 116 CO -0.03 -0.06 0.32 -1.59 -0.10 0.00 0.00 175.22 173.76 1ws4 s LYS 117 N -2.46 0.92 0.00 0.44 -2.85 -1.02 -1.30 119.74 113.46 1ws4 s LYS 117 Ca 0.00 -0.67 0.00 0.00 -1.00 0.00 0.00 55.97 54.30 1ws4 s LYS 117 Cb -0.04 0.40 0.00 0.00 -2.06 0.00 0.00 37.83 36.12 1ws4 s LYS 117 CO -0.01 -0.32 0.00 0.41 0.10 0.00 0.00 175.35 175.53 1ws4 n GLY 118 N 0.14 -0.66 3.42 0.59 0.00 -0.36 -0.71 105.19 107.62 1ws4 n GLY 118 Ca -0.17 -0.49 -0.14 0.00 0.00 0.00 0.00 46.02 45.22 1ws4 n GLY 118 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ws4 s SER 119 N -4.00 -0.53 -0.05 1.61 0.15 -0.77 -0.88 113.70 109.22 1ws4 s SER 119 Ca 0.00 0.99 -0.00 0.00 0.70 0.00 0.00 55.95 57.64 1ws4 s SER 119 Cb 0.00 1.00 0.03 0.00 -1.71 0.00 0.00 66.02 65.34 1ws4 s SER 119 CO 0.00 -0.22 -0.01 -0.63 1.20 0.00 0.00 173.24 173.58 1ws4 s ILE 120 N 0.11 0.35 0.00 6.45 1.01 -0.76 -0.37 121.20 127.99 1ws4 s ILE 120 Ca -0.01 0.05 0.00 0.00 0.00 0.00 0.00 60.65 60.68 1ws4 s ILE 120 Cb -0.04 -0.45 0.00 0.00 0.01 0.00 0.00 42.46 41.99 1ws4 s ILE 120 CO 0.01 0.21 0.00 0.61 0.00 0.00 0.00 174.94 175.78 1ws4 n GLY 121 N 4.51 1.24 0.19 6.18 0.00 -1.26 -1.19 105.19 114.85 1ws4 n GLY 121 Ca -0.18 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.77 1ws4 n GLY 121 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1ws4 h TYR 122 N 0.00 0.48 -4.07 1.61 0.99 -1.95 -0.27 116.97 113.76 1ws4 h TYR 122 Ca 0.00 -0.18 -0.40 0.00 2.00 0.00 0.00 58.73 60.16 1ws4 h TYR 122 Cb 0.00 -0.09 -0.14 0.00 1.00 0.00 0.00 36.73 37.50 1ws4 h TYR 122 CO 0.00 0.87 -0.56 -1.58 -0.00 0.00 0.00 178.16 176.89 1ws4 s TRP 123 N -3.85 1.56 -0.41 4.88 0.51 -1.26 -4.45 118.94 115.92 1ws4 s TRP 123 Ca -0.05 -1.38 -0.28 0.00 -2.12 0.00 0.00 56.10 52.26 1ws4 s TRP 123 Cb 0.12 -0.82 -0.01 0.00 -0.81 0.00 0.00 33.47 31.95 1ws4 s TRP 123 CO 0.82 -0.55 1.64 -1.17 -0.51 0.00 0.00 176.95 177.18 1ws4 s LEU 124 N -3.35 3.49 0.07 2.99 2.96 -0.55 -4.36 118.68 119.93 1ws4 s LEU 124 Ca 0.36 0.93 -0.18 0.00 -0.22 0.00 0.00 54.13 55.02 1ws4 s LEU 124 Cb 0.05 -3.36 -0.11 0.00 0.50 0.00 0.00 46.19 43.28 1ws4 s LEU 124 CO 0.17 -1.70 1.42 0.44 -1.32 0.00 0.00 176.35 175.37 1ws4 h ASP 125 N 12.24 0.49 -5.11 3.68 3.32 -1.02 0.05 116.42 130.07 1ws4 h ASP 125 Ca -0.30 -0.42 0.20 0.00 0.02 0.00 0.00 57.03 56.53 1ws4 h ASP 125 Cb 1.14 -0.14 -0.12 0.00 0.22 0.00 0.00 39.33 40.43 1ws4 h ASP 125 CO 1.09 0.81 0.60 -0.72 -1.72 0.00 0.00 179.24 179.29 1ws4 s TYR 126 N -4.55 -0.17 0.10 4.55 -0.85 -1.23 -4.24 117.35 110.96 1ws4 s TYR 126 Ca -0.14 -0.02 -0.22 0.00 -0.52 0.00 0.00 57.07 56.17 1ws4 s TYR 126 Cb 0.07 0.58 0.06 0.00 0.38 0.00 0.00 41.96 43.05 1ws4 s TYR 126 CO 0.77 -0.56 0.55 -0.59 -1.52 0.00 0.00 175.55 174.19 1ws4 s PHE 127 N -2.96 -0.46 0.18 -3.49 -0.71 -1.26 -1.85 117.98 107.43 1ws4 s PHE 127 Ca 0.10 0.37 0.02 0.00 -1.04 0.00 0.00 56.93 56.38 1ws4 s PHE 127 Cb 0.00 0.43 -0.05 0.00 -1.21 0.00 0.00 43.02 42.19 1ws4 s PHE 127 CO -0.03 -0.74 0.00 -1.12 -1.34 0.00 0.00 175.22 172.00 1ws4 s SER 128 N -2.39 1.25 0.00 1.98 0.01 0.11 -4.96 113.70 109.70 1ws4 s SER 128 Ca -0.02 -1.18 0.03 0.00 1.31 0.00 0.00 55.95 56.10 1ws4 s SER 128 Cb -0.00 0.11 -0.01 0.00 0.21 0.00 0.00 66.02 66.33 1ws4 s SER 128 CO -0.07 -0.57 -0.11 -0.04 0.41 0.00 0.00 173.24 172.86 1ws4 s MET 129 N -3.91 0.84 -0.00 12.44 -1.94 -1.26 -2.44 119.30 123.02 1ws4 s MET 129 Ca 0.24 -0.45 -0.21 0.00 -1.71 0.00 0.00 55.69 53.56 1ws4 s MET 129 Cb 0.06 -0.81 -0.05 0.00 2.01 0.00 0.00 34.83 36.04 1ws4 s MET 129 CO 0.04 0.22 0.62 0.71 -0.01 0.00 0.00 175.02 176.60 1ws4 s TYR 130 N -0.39 3.68 0.05 -0.03 1.51 -0.37 -4.98 117.35 116.83 1ws4 s TYR 130 Ca 0.03 1.23 0.09 0.00 -1.01 0.00 0.00 57.07 57.41 1ws4 s TYR 130 Cb -0.05 -2.65 -0.03 0.00 -0.11 0.00 0.00 41.96 39.13 1ws4 s TYR 130 CO -0.00 0.32 -0.24 -0.51 -1.11 0.00 0.00 175.55 174.01 1ws4 s LEU 131 N -0.10 2.18 0.24 -1.29 1.43 -1.26 -0.75 118.68 119.13 1ws4 s LEU 131 Ca 0.32 -0.58 -0.22 0.00 -1.03 0.00 0.00 54.13 52.63 1ws4 s LEU 131 Cb -0.18 -1.14 0.04 0.00 0.03 0.00 0.00 46.19 44.93 1ws4 s LEU 131 CO 0.18 0.21 0.68 -0.55 0.23 0.00 0.00 176.35 177.09 1ws4 s SER 132 N -1.30 -0.37 0.00 2.29 0.15 -0.39 -4.92 113.70 109.15 1ws4 s SER 132 Ca 0.10 -0.39 0.28 0.00 0.70 0.00 0.00 55.95 56.64 1ws4 s SER 132 Cb -0.10 0.68 1.11 0.00 -1.71 0.00 0.00 66.02 66.00 1ws4 s SER 132 CO 0.02 -1.21 1.78 0.18 1.20 0.00 0.00 173.24 175.21