#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wb1 s TYR 2 N 0.00 3.09 0.03 2.03 2.02 -1.26 -1.94 117.35 121.32 2wb1 s TYR 2 Ca 0.00 0.05 0.05 0.00 -0.37 0.00 0.00 57.07 56.81 2wb1 s TYR 2 Cb 0.00 -1.62 -0.02 0.00 -0.40 0.00 0.00 41.96 39.92 2wb1 s TYR 2 CO 0.00 0.49 -0.16 0.15 -1.57 0.00 0.00 175.55 174.46 2wb1 s LYS 3 N -2.01 1.14 -0.28 -0.62 1.02 -0.70 -4.94 119.74 113.35 2wb1 s LYS 3 Ca 0.24 -0.75 -0.01 0.00 0.02 0.00 0.00 55.97 55.47 2wb1 s LYS 3 Cb -0.12 -1.16 0.04 0.00 -0.52 0.00 0.00 37.83 36.07 2wb1 s LYS 3 CO 0.16 0.30 -0.03 -1.17 -0.92 0.00 0.00 175.35 173.69 2wb1 s LEU 4 N -0.94 3.66 -0.18 3.17 2.96 -1.25 -1.58 118.68 124.51 2wb1 s LEU 4 Ca 0.04 -1.17 0.01 0.00 -0.22 0.00 0.00 54.13 52.80 2wb1 s LEU 4 Cb -0.08 -1.69 0.02 0.00 0.50 0.00 0.00 46.19 44.95 2wb1 s LEU 4 CO 0.01 -0.22 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.00 2wb1 s ILE 5 N 1.26 2.07 -0.39 6.68 1.01 -1.14 -4.88 121.20 125.81 2wb1 s ILE 5 Ca -0.04 -0.96 -0.20 0.00 0.00 0.00 0.00 60.65 59.46 2wb1 s ILE 5 Cb -0.19 -1.87 0.01 0.00 0.01 0.00 0.00 42.46 40.42 2wb1 s ILE 5 CO -0.02 0.52 0.59 -0.54 0.00 0.00 0.00 174.94 175.49 2wb1 s LYS 6 N 1.29 3.47 -0.01 2.79 1.02 -1.24 -0.84 119.74 126.22 2wb1 s LYS 6 Ca 0.05 -0.22 0.01 0.00 0.02 0.00 0.00 55.97 55.82 2wb1 s LYS 6 Cb -0.13 -3.87 0.00 0.00 -0.52 0.00 0.00 37.83 33.31 2wb1 s LYS 6 CO -0.13 -0.82 -0.02 0.00 -0.92 0.00 0.00 175.35 173.46 2wb1 s ALA 7 N 2.62 0.25 0.21 5.17 0.00 -0.38 -4.90 121.76 124.73 2wb1 s ALA 7 Ca 0.21 -0.08 -0.08 0.00 0.00 0.00 0.00 51.96 52.02 2wb1 s ALA 7 Cb -0.15 -0.10 -0.06 0.00 0.00 0.00 0.00 23.12 22.81 2wb1 s ALA 7 CO 0.16 0.04 0.50 1.03 0.00 0.00 0.00 175.76 177.49 2wb1 s ARG 8 N 0.10 3.73 0.04 0.00 0.52 -1.26 -0.96 118.95 121.11 2wb1 s ARG 8 Ca -0.01 0.13 -0.01 0.00 -0.52 0.00 0.00 55.73 55.33 2wb1 s ARG 8 Cb -0.03 -2.71 0.00 0.00 0.52 0.00 0.00 34.95 32.74 2wb1 s ARG 8 CO -0.00 0.35 0.06 -1.13 0.02 0.00 0.00 175.30 174.59 2wb1 n SER 9 N -0.17 -0.17 -3.96 0.23 3.41 -0.92 -5.02 113.62 107.03 2wb1 n SER 9 Ca -0.01 -1.17 -0.30 0.00 -0.26 0.00 0.00 58.87 57.13 2wb1 n SER 9 Cb 0.52 0.29 -0.16 0.00 -0.26 0.00 0.00 64.21 64.61 2wb1 n SER 9 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2wb1 s ILE 10 N -2.63 1.58 0.04 -1.33 1.09 -1.26 -2.49 121.20 116.19 2wb1 s ILE 10 Ca 0.02 -1.12 -0.11 0.00 -1.10 0.00 0.00 60.65 58.34 2wb1 s ILE 10 Cb -0.00 -1.76 -0.06 0.00 -1.06 0.00 0.00 42.46 39.58 2wb1 s ILE 10 CO 0.02 0.02 0.38 0.54 -0.10 0.00 0.00 174.94 175.80 2wb1 s VAL 11 N 1.40 5.10 -0.14 2.92 0.11 -0.57 -4.91 120.40 124.31 2wb1 s VAL 11 Ca -0.04 0.57 -0.18 0.00 -2.93 0.00 0.00 61.98 59.40 2wb1 s VAL 11 Cb -0.18 -3.65 -0.04 0.00 -1.53 0.00 0.00 36.38 30.98 2wb1 s VAL 11 CO -0.07 0.42 0.49 -0.60 -3.33 0.00 0.00 175.10 172.01 2wb1 s ARG 12 N -1.54 4.30 -0.32 1.54 3.52 -1.26 -2.05 118.95 123.13 2wb1 s ARG 12 Ca 0.28 0.45 -0.05 0.00 -0.13 0.00 0.00 55.73 56.27 2wb1 s ARG 12 Cb -0.15 -3.47 0.04 0.00 -1.56 0.00 0.00 34.95 29.81 2wb1 s ARG 12 CO 0.15 0.08 0.07 0.42 -0.81 0.00 0.00 175.30 175.21 2wb1 s ILE 13 N 0.89 3.62 0.65 4.11 1.01 -1.12 -4.94 121.20 125.42 2wb1 s ILE 13 Ca 0.26 -1.12 -0.11 0.00 0.00 0.00 0.00 60.65 59.67 2wb1 s ILE 13 Cb -0.15 -3.02 -0.02 0.00 0.01 0.00 0.00 42.46 39.28 2wb1 s ILE 13 CO 0.10 -0.12 1.05 -2.16 0.00 0.00 0.00 174.94 173.81 2wb1 s PRO 14 N 1.38 3.24 0.64 2.79 0.04 -1.26 -2.92 135.00 138.91 2wb1 s PRO 14 Ca -0.02 0.90 0.34 0.00 0.04 0.00 0.00 61.00 62.26 2wb1 s PRO 14 Cb -0.19 -2.03 1.87 0.00 0.04 0.00 0.00 34.50 34.18 2wb1 s PRO 14 CO 0.02 -0.86 2.11 -1.35 0.04 0.00 0.00 177.00 176.96 2wb1 h PRO 15 N -0.44 0.00 0.00 0.56 0.11 -1.96 -1.29 132.00 128.99 2wb1 h PRO 15 Ca -0.44 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.67 2wb1 h PRO 15 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 2wb1 h PRO 15 CO 0.59 0.00 -0.00 -0.91 -0.21 0.00 0.00 178.00 177.47 2wb1 h ASN 16 N 0.00 0.00 -2.07 -2.05 4.21 -2.03 -3.34 115.58 110.29 2wb1 h ASN 16 Ca 0.04 0.00 -0.55 0.00 1.21 0.00 0.00 56.30 56.99 2wb1 h ASN 16 Cb 0.44 0.00 -0.41 0.00 -1.12 0.00 0.00 38.32 37.22 2wb1 h ASN 16 CO -0.00 0.00 -0.81 -0.62 -1.29 0.00 0.00 177.43 174.71 2wb1 n GLU 17 N -4.52 2.63 -3.89 0.81 1.02 -0.48 -5.04 120.64 111.16 2wb1 n GLU 17 Ca -0.03 -4.40 -0.36 0.00 -0.02 0.00 0.00 57.16 52.35 2wb1 n GLU 17 Cb 0.09 -2.07 -0.07 0.00 -0.02 0.00 0.00 31.44 29.37 2wb1 n GLU 17 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 2wb1 s PHE 18 N -3.22 3.50 0.00 -0.32 2.99 -1.26 -4.35 117.98 115.32 2wb1 s PHE 18 Ca 0.46 0.43 0.00 0.00 0.00 0.00 0.00 56.93 57.81 2wb1 s PHE 18 Cb 0.32 -1.99 0.00 0.00 0.00 0.00 0.00 43.02 41.35 2wb1 s PHE 18 CO -0.12 0.57 0.00 0.41 -0.00 0.00 0.00 175.22 176.08 2wb1 n GLY 19 N 2.47 0.59 3.44 4.36 0.00 -1.26 -5.06 105.19 109.72 2wb1 n GLY 19 Ca -0.19 -0.68 -0.32 0.00 0.00 0.00 0.00 46.02 44.83 2wb1 n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wb1 s LYS 20 N -1.25 2.51 -0.49 1.61 1.02 -1.26 -5.05 119.74 116.83 2wb1 s LYS 20 Ca 0.00 -0.74 -0.45 0.00 0.02 0.00 0.00 55.97 54.80 2wb1 s LYS 20 Cb 0.00 -2.34 -0.19 0.00 -0.52 0.00 0.00 37.83 34.78 2wb1 s LYS 20 CO 0.00 0.58 1.68 -2.30 -0.92 0.00 0.00 175.35 174.39 2wb1 n PRO 21 N 2.44 0.00 -0.07 -1.68 -0.01 -1.26 -4.73 135.00 129.68 2wb1 n PRO 21 Ca -0.17 0.00 0.24 0.00 -0.01 0.00 0.00 63.50 63.56 2wb1 n PRO 21 Cb 0.52 -1.46 0.71 0.00 -0.01 0.00 0.00 33.50 33.26 2wb1 n PRO 21 CO 0.00 0.00 0.00 -0.07 -0.01 0.00 0.00 175.50 175.42 2wb1 h LEU 22 N 5.79 0.00 0.18 2.45 4.07 -1.96 -2.45 115.31 123.39 2wb1 h LEU 22 Ca -0.35 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.60 2wb1 h LEU 22 Cb 1.35 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.09 2wb1 h LEU 22 CO 0.98 0.00 -0.09 0.78 -1.08 0.00 0.00 178.44 179.03 2wb1 h ASN 23 N 0.00 -0.20 -0.75 -0.43 2.35 -1.92 -2.51 115.58 112.11 2wb1 h ASN 23 Ca 0.33 -0.05 0.04 0.00 -0.55 0.00 0.00 56.30 56.07 2wb1 h ASN 23 Cb 1.32 0.05 -0.04 0.00 0.05 0.00 0.00 38.32 39.70 2wb1 h ASN 23 CO -0.00 -0.09 0.50 -0.33 -1.65 0.00 0.00 177.43 175.86 2wb1 h GLU 24 N -0.31 0.88 -0.09 0.81 5.08 -1.79 -0.88 114.58 118.28 2wb1 h GLU 24 Ca -0.02 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.20 2wb1 h GLU 24 Cb 0.24 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.29 2wb1 h GLU 24 CO 0.04 0.58 -0.28 0.82 -1.00 0.00 0.00 179.01 179.17 2wb1 h ILE 25 N 0.91 1.41 -0.69 3.13 1.08 -1.64 -2.64 117.51 119.06 2wb1 h ILE 25 Ca 0.30 -1.63 0.00 0.00 -0.39 0.00 0.00 64.86 63.14 2wb1 h ILE 25 Cb 0.07 2.22 -0.03 0.00 -3.07 0.00 0.00 36.82 36.01 2wb1 h ILE 25 CO -0.09 0.47 0.44 0.00 -0.69 0.00 0.00 178.15 178.28 2wb1 h ALA 26 N 0.47 0.88 0.47 1.87 0.00 -1.05 -2.29 119.26 119.61 2wb1 h ALA 26 Ca -0.01 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2wb1 h ALA 26 Cb 0.91 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2wb1 h ALA 26 CO 0.06 0.33 -0.23 1.25 0.00 0.00 0.00 179.25 180.66 2wb1 h LEU 27 N 0.94 -0.54 -1.35 0.00 6.46 -1.26 -3.06 115.31 116.50 2wb1 h LEU 27 Ca 0.25 -0.05 0.21 0.00 -0.12 0.00 0.00 57.88 58.17 2wb1 h LEU 27 Cb -0.07 0.14 -0.08 0.00 -0.73 0.00 0.00 40.66 39.92 2wb1 h LEU 27 CO -0.05 -0.27 0.62 0.78 -0.62 0.00 0.00 178.44 178.90 2wb1 h ASN 28 N -0.79 0.52 -0.70 1.25 2.35 -1.27 0.18 115.58 117.12 2wb1 h ASN 28 Ca -0.06 0.06 -0.19 0.00 -0.55 0.00 0.00 56.30 55.56 2wb1 h ASN 28 Cb 0.56 -0.03 -0.11 0.00 0.05 0.00 0.00 38.32 38.78 2wb1 h ASN 28 CO 0.11 0.18 0.23 -0.62 -1.65 0.00 0.00 177.43 175.68 2wb1 n GLU 29 N -4.59 3.78 -0.00 0.81 1.02 -0.88 -2.18 120.64 118.60 2wb1 n GLU 29 Ca 0.21 -3.10 0.00 0.00 -0.02 0.00 0.00 57.16 54.26 2wb1 n GLU 29 Cb 0.70 -2.21 -0.01 0.00 -0.02 0.00 0.00 31.44 29.90 2wb1 n GLU 29 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2wb1 n LEU 30 N -0.12 0.00 -0.08 -4.62 4.32 0.45 -4.25 117.00 112.71 2wb1 n LEU 30 Ca 0.39 0.00 -0.04 0.00 -0.02 0.00 0.00 56.01 56.34 2wb1 n LEU 30 Cb 1.35 0.00 0.18 0.00 -1.62 0.00 0.00 43.42 43.34 2wb1 n LEU 30 CO 0.42 0.00 0.87 0.03 -1.22 0.00 0.00 177.39 177.49 2wb1 h ARG 31 N 0.00 0.72 -0.11 3.23 3.08 -1.06 -0.65 114.38 119.58 2wb1 h ARG 31 Ca -0.01 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 59.85 2wb1 h ARG 31 Cb 0.26 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.23 2wb1 h ARG 31 CO 0.00 0.75 0.00 1.04 -1.07 0.00 0.00 179.97 180.69 2wb1 n GLN 32 N -4.21 1.35 0.00 0.04 6.02 -0.92 -3.67 117.38 115.99 2wb1 n GLN 32 Ca 0.02 -0.54 0.00 0.00 -0.01 0.00 0.00 57.00 56.47 2wb1 n GLN 32 Cb 0.30 -1.25 0.00 0.00 1.02 0.00 0.00 30.24 30.31 2wb1 n GLN 32 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2wb1 n GLN 33 N -0.17 3.57 0.00 -1.09 6.02 -1.15 -5.00 117.38 119.56 2wb1 n GLN 33 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.10 2wb1 n GLN 33 Cb 0.17 -0.50 0.00 0.00 1.02 0.00 0.00 30.24 30.93 2wb1 n GLN 33 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 2wb1 n TYR 34 N -0.41 0.00 -1.92 1.08 4.01 -0.26 -5.02 117.16 114.63 2wb1 n TYR 34 Ca 0.00 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.32 2wb1 n TYR 34 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.01 2wb1 n TYR 34 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 2wb1 s GLN 35 N -1.09 4.21 -1.47 -0.72 -0.21 -1.20 -2.62 119.66 116.56 2wb1 s GLN 35 Ca 0.00 2.40 -0.07 0.00 0.02 0.00 0.00 55.36 57.71 2wb1 s GLN 35 Cb 0.00 -3.09 0.02 0.00 1.00 0.00 0.00 33.01 30.93 2wb1 s GLN 35 CO 0.00 -0.53 0.84 0.39 -2.12 0.00 0.00 175.29 173.88 2wb1 n GLU 36 N 2.69 -5.98 -4.14 2.91 1.02 0.60 -4.98 120.64 112.75 2wb1 n GLU 36 Ca 0.09 0.83 -0.09 0.00 -0.02 0.00 0.00 57.16 57.96 2wb1 n GLU 36 Cb 0.39 -5.76 -0.10 0.00 -0.02 0.00 0.00 31.44 25.95 2wb1 n GLU 36 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 2wb1 s LYS 37 N -6.03 0.79 -0.20 3.49 1.02 -1.08 -4.94 119.74 112.79 2wb1 s LYS 37 Ca 0.45 -1.32 -0.09 0.00 0.02 0.00 0.00 55.97 55.02 2wb1 s LYS 37 Cb -0.20 -0.01 -0.05 0.00 -0.52 0.00 0.00 37.83 37.05 2wb1 s LYS 37 CO 0.55 -0.09 0.11 0.42 -0.92 0.00 0.00 175.35 175.43 2wb1 s ILE 38 N -3.78 5.25 -0.08 2.17 1.01 -1.26 -2.73 121.20 121.77 2wb1 s ILE 38 Ca 0.12 0.13 -0.02 0.00 0.00 0.00 0.00 60.65 60.89 2wb1 s ILE 38 Cb 0.07 -3.39 0.03 0.00 0.01 0.00 0.00 42.46 39.18 2wb1 s ILE 38 CO -0.05 0.44 0.01 -0.76 0.00 0.00 0.00 174.94 174.58 2wb1 s LEU 39 N 0.41 0.61 0.00 2.97 1.02 -0.64 -4.83 118.68 118.22 2wb1 s LEU 39 Ca 0.07 -0.16 0.11 0.00 0.02 0.00 0.00 54.13 54.18 2wb1 s LEU 39 Cb -0.11 -0.44 0.61 0.00 0.02 0.00 0.00 46.19 46.27 2wb1 s LEU 39 CO -0.01 -0.21 1.22 0.29 0.02 0.00 0.00 176.35 177.66 2wb1 n LYS 40 N 5.15 0.22 -0.28 1.70 5.02 -1.26 0.10 118.16 128.82 2wb1 n LYS 40 Ca -0.07 0.12 0.07 0.00 -2.02 0.00 0.00 58.31 56.41 2wb1 n LYS 40 Cb 0.50 -1.50 0.20 0.00 -0.02 0.00 0.00 35.03 34.21 2wb1 n LYS 40 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2wb1 n ASP 41 N -1.20 3.32 0.13 4.39 9.92 -1.26 -4.77 116.55 127.08 2wb1 n ASP 41 Ca 0.06 -2.26 0.00 0.00 -0.53 0.00 0.00 54.79 52.06 2wb1 n ASP 41 Cb 0.07 -0.34 0.00 0.00 -0.64 0.00 0.00 41.12 40.22 2wb1 n ASP 41 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2wb1 n LEU 42 N 0.38 0.06 0.00 0.64 4.32 0.21 -5.18 117.00 117.43 2wb1 n LEU 42 Ca 0.15 0.44 0.00 0.00 -0.02 0.00 0.00 56.01 56.58 2wb1 n LEU 42 Cb 0.57 0.28 0.00 0.00 -1.62 0.00 0.00 43.42 42.65 2wb1 n LEU 42 CO 0.11 -0.79 0.00 0.61 -1.22 0.00 0.00 177.39 176.10 2wb1 n GLY 43 N 1.88 0.37 3.39 -0.72 0.00 0.28 -4.55 105.19 105.85 2wb1 n GLY 43 Ca 0.00 -1.93 -0.44 0.00 0.00 0.00 0.00 46.02 43.65 2wb1 n GLY 43 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wb1 s LEU 44 N 0.00 5.28 -0.36 0.99 1.02 -1.02 -1.62 118.68 122.97 2wb1 s LEU 44 Ca 0.00 -1.49 -0.29 0.00 0.02 0.00 0.00 54.13 52.37 2wb1 s LEU 44 Cb 0.00 -2.32 0.01 0.00 0.02 0.00 0.00 46.19 43.90 2wb1 s LEU 44 CO 0.00 -1.13 1.24 0.54 0.02 0.00 0.00 176.35 177.01 2wb1 s VAL 45 N 2.76 4.19 -0.04 -1.59 0.11 -1.11 -1.27 120.40 123.46 2wb1 s VAL 45 Ca 0.15 1.30 -0.21 0.00 -2.93 0.00 0.00 61.98 60.30 2wb1 s VAL 45 Cb -0.20 -4.32 -0.15 0.00 -1.53 0.00 0.00 36.38 30.17 2wb1 s VAL 45 CO 0.04 -0.65 0.90 -0.07 -3.33 0.00 0.00 175.10 172.00 2wb1 h LEU 46 N 11.03 -0.23 -7.85 2.54 4.07 -0.13 0.17 115.31 124.91 2wb1 h LEU 46 Ca -0.24 -0.30 -0.11 0.00 0.08 0.00 0.00 57.88 57.31 2wb1 h LEU 46 Cb 1.08 0.06 -0.16 0.00 1.08 0.00 0.00 40.66 42.72 2wb1 h LEU 46 CO 1.06 0.29 -0.45 0.00 -1.08 0.00 0.00 178.44 178.27 2wb1 s ALA 47 N -3.87 -0.15 -0.25 1.53 0.00 -1.14 -4.21 121.76 113.67 2wb1 s ALA 47 Ca -0.12 -0.55 -0.01 0.00 0.00 0.00 0.00 51.96 51.27 2wb1 s ALA 47 Cb 0.01 0.34 0.03 0.00 0.00 0.00 0.00 23.12 23.50 2wb1 s ALA 47 CO 0.47 -0.40 -0.07 0.42 0.00 0.00 0.00 175.76 176.18 2wb1 s ILE 48 N -3.13 2.73 0.56 0.00 -1.09 -1.26 -1.42 121.20 117.59 2wb1 s ILE 48 Ca -0.01 -1.14 0.05 0.00 -2.23 0.00 0.00 60.65 57.33 2wb1 s ILE 48 Cb 0.02 -2.42 0.05 0.00 -1.58 0.00 0.00 42.46 38.53 2wb1 s ILE 48 CO -0.07 0.16 0.43 -0.76 -1.23 0.00 0.00 174.94 173.47 2wb1 s LEU 49 N 1.28 2.63 -0.41 2.97 1.02 -0.94 -4.93 118.68 120.31 2wb1 s LEU 49 Ca -0.01 -1.29 -0.26 0.00 0.02 0.00 0.00 54.13 52.60 2wb1 s LEU 49 Cb -0.17 -1.12 0.04 0.00 0.02 0.00 0.00 46.19 44.96 2wb1 s LEU 49 CO -0.05 -1.18 0.57 0.59 0.02 0.00 0.00 176.35 176.30 2wb1 n ASN 50 N -1.83 -6.72 -4.56 2.29 3.02 -1.26 -3.38 115.26 102.82 2wb1 n ASN 50 Ca -0.01 0.24 -0.42 0.00 -0.03 0.00 0.00 54.58 54.36 2wb1 n ASN 50 Cb 0.64 -3.41 -0.07 0.00 -0.61 0.00 0.00 39.78 36.34 2wb1 n ASN 50 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2wb1 s VAL 51 N -1.93 4.90 -0.51 2.41 0.11 -1.26 -4.23 120.40 119.89 2wb1 s VAL 51 Ca 0.29 0.46 0.04 0.00 -2.93 0.00 0.00 61.98 59.83 2wb1 s VAL 51 Cb -0.05 -4.08 0.13 0.00 -1.53 0.00 0.00 36.38 30.85 2wb1 s VAL 51 CO 0.78 -0.35 0.26 -0.54 -3.33 0.00 0.00 175.10 171.92 2wb1 s LYS 52 N 2.67 1.90 -0.22 1.54 1.02 -1.21 -4.94 119.74 120.50 2wb1 s LYS 52 Ca 0.23 -2.55 -0.16 0.00 0.02 0.00 0.00 55.97 53.51 2wb1 s LYS 52 Cb -0.15 -3.21 -0.04 0.00 -0.52 0.00 0.00 37.83 33.92 2wb1 s LYS 52 CO 0.15 -1.11 0.39 0.99 -0.92 0.00 0.00 175.35 174.85 2wb1 s THR 53 N -0.22 5.19 0.17 2.17 2.01 -1.26 -2.58 115.64 121.11 2wb1 s THR 53 Ca 0.17 0.67 -0.30 0.00 0.31 0.00 0.00 61.69 62.54 2wb1 s THR 53 Cb -0.26 -3.72 -0.07 0.00 0.01 0.00 0.00 72.50 68.46 2wb1 s THR 53 CO 0.00 0.23 0.95 -0.94 -0.69 0.00 0.00 174.62 174.17 2wb1 s SER 54 N 1.18 7.56 0.26 3.53 1.04 -0.92 -4.93 113.70 121.42 2wb1 s SER 54 Ca 0.18 1.86 0.03 0.00 0.48 0.00 0.00 55.95 58.50 2wb1 s SER 54 Cb -0.15 -2.60 0.32 0.00 0.10 0.00 0.00 66.02 63.70 2wb1 s SER 54 CO 0.08 0.03 1.63 -0.33 0.98 0.00 0.00 173.24 175.63 2wb1 h GLU 55 N 4.98 0.35 -4.40 4.02 5.08 -1.97 -3.42 114.58 119.21 2wb1 h GLU 55 Ca -0.44 -0.19 -0.73 0.00 -1.00 0.00 0.00 59.36 57.01 2wb1 h GLU 55 Cb 1.21 0.01 -0.22 0.00 0.50 0.00 0.00 28.75 30.25 2wb1 h GLU 55 CO 0.70 0.74 -0.38 -1.21 -1.00 0.00 0.00 179.01 177.87 2wb1 s GLU 56 N -4.07 2.98 0.20 2.33 2.02 -1.26 -5.07 118.70 115.83 2wb1 s GLU 56 Ca -0.05 -1.19 0.10 0.00 0.02 0.00 0.00 54.97 53.84 2wb1 s GLU 56 Cb 0.13 -4.06 -0.04 0.00 0.10 0.00 0.00 34.13 30.25 2wb1 s GLU 56 CO 0.80 -0.90 -0.15 0.20 0.02 0.00 0.00 175.26 175.23 2wb1 s GLY 57 N 2.17 1.73 -0.02 -1.39 0.00 -1.26 -4.78 107.32 103.76 2wb1 s GLY 57 Ca 0.05 -1.59 -0.30 0.00 0.00 0.00 0.00 44.72 42.88 2wb1 s GLY 57 CO 0.08 -1.62 1.45 -0.42 0.00 0.00 0.00 173.10 172.59 2wb1 s ILE 58 N -1.83 3.71 -0.29 0.90 1.09 0.48 -4.65 121.20 120.62 2wb1 s ILE 58 Ca 0.25 1.04 -0.09 0.00 -1.10 0.00 0.00 60.65 60.74 2wb1 s ILE 58 Cb -0.08 -3.67 -0.02 0.00 -1.06 0.00 0.00 42.46 37.63 2wb1 s ILE 58 CO 0.14 -0.03 0.14 -0.22 -0.10 0.00 0.00 174.94 174.86 2wb1 s LEU 59 N 2.84 3.89 0.51 2.97 0.20 -1.26 -0.28 118.68 127.55 2wb1 s LEU 59 Ca 0.65 -0.32 0.05 0.00 0.69 0.00 0.00 54.13 55.20 2wb1 s LEU 59 Cb -0.31 -2.00 0.04 0.00 -0.43 0.00 0.00 46.19 43.48 2wb1 s LEU 59 CO 0.26 -0.12 0.71 0.54 -0.29 0.00 0.00 176.35 177.45 2wb1 s VAL 60 N 1.65 2.69 -0.06 1.68 0.11 -1.26 -5.06 120.40 120.15 2wb1 s VAL 60 Ca 0.06 -0.84 -0.11 0.00 -2.93 0.00 0.00 61.98 58.16 2wb1 s VAL 60 Cb -0.16 -2.85 -0.07 0.00 -1.53 0.00 0.00 36.38 31.77 2wb1 s VAL 60 CO 0.06 0.00 0.43 -0.26 -3.33 0.00 0.00 175.10 172.01 2wb1 h PHE 61 N 0.27 -0.28 -0.95 1.54 -1.00 -1.99 -3.33 116.94 111.21 2wb1 h PHE 61 Ca -0.39 -0.01 0.29 0.00 2.81 0.00 0.00 57.97 60.67 2wb1 h PHE 61 Cb 1.29 0.09 -0.15 0.00 3.61 0.00 0.00 35.95 40.79 2wb1 h PHE 61 CO 0.34 -0.10 0.38 0.78 -1.61 0.00 0.00 178.31 178.09 2wb1 h GLY 62 N -1.06 1.71 -4.19 -1.45 0.00 -2.00 -3.42 103.07 92.66 2wb1 h GLY 62 Ca -0.03 -0.11 -0.68 0.00 0.00 0.00 0.00 47.33 46.50 2wb1 h GLY 62 CO 0.05 -0.47 -0.83 -0.35 0.00 0.00 0.00 176.54 174.94 2wb1 s ASP 63 N -4.96 3.64 0.16 0.19 -1.08 -1.25 -5.01 116.67 108.35 2wb1 s ASP 63 Ca -0.11 -0.56 0.15 0.00 -0.52 0.00 0.00 52.55 51.51 2wb1 s ASP 63 Cb 0.29 -0.46 -0.06 0.00 -1.46 0.00 0.00 42.92 41.23 2wb1 s ASP 63 CO 0.78 0.21 1.11 1.23 0.52 0.00 0.00 175.17 179.03 2wb1 h GLY 64 N 4.16 0.00 -2.94 2.66 0.00 -1.82 -3.36 103.07 101.77 2wb1 h GLY 64 Ca -0.49 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.32 2wb1 h GLY 64 CO 0.45 0.00 0.53 0.00 0.00 0.00 0.00 176.54 177.52 2wb1 s ALA 65 N -2.92 3.04 0.77 3.60 0.00 -1.26 -4.91 121.76 120.07 2wb1 s ALA 65 Ca 0.00 1.05 -0.12 0.00 0.00 0.00 0.00 51.96 52.90 2wb1 s ALA 65 Cb 0.08 -3.43 0.05 0.00 0.00 0.00 0.00 23.12 19.83 2wb1 s ALA 65 CO 0.78 -0.77 1.13 0.95 0.00 0.00 0.00 175.76 177.86 2wb1 s THR 66 N -1.43 2.77 -0.25 0.00 -4.23 -1.15 -4.49 115.64 106.86 2wb1 s THR 66 Ca 0.62 0.25 -0.03 0.00 -1.18 0.00 0.00 61.69 61.35 2wb1 s THR 66 Cb -0.32 -3.21 0.09 0.00 1.34 0.00 0.00 72.50 70.39 2wb1 s THR 66 CO 0.40 -0.33 0.10 -0.31 -0.54 0.00 0.00 174.62 173.94 2wb1 s TYR 67 N -3.42 0.64 0.03 3.99 2.02 0.61 -2.79 117.35 118.43 2wb1 s TYR 67 Ca 0.60 -0.90 -0.03 0.00 -0.37 0.00 0.00 57.07 56.36 2wb1 s TYR 67 Cb -0.12 -1.02 -0.04 0.00 -0.40 0.00 0.00 41.96 40.38 2wb1 s TYR 67 CO 0.51 -0.74 0.23 -1.01 -1.57 0.00 0.00 175.55 172.97 2wb1 s HIS 68 N 1.99 3.54 0.34 2.71 3.76 -0.87 -0.39 115.29 126.38 2wb1 s HIS 68 Ca 0.06 0.41 -0.26 0.00 -0.15 0.00 0.00 55.06 55.12 2wb1 s HIS 68 Cb -0.16 -1.87 -0.09 0.00 1.11 0.00 0.00 32.58 31.56 2wb1 s HIS 68 CO -0.25 0.60 1.02 -1.21 -0.85 0.00 0.00 174.74 174.06 2wb1 s GLU 69 N -2.10 4.43 -0.08 1.40 2.02 -1.26 -1.51 118.70 121.59 2wb1 s GLU 69 Ca 0.31 1.51 -0.06 0.00 0.02 0.00 0.00 54.97 56.75 2wb1 s GLU 69 Cb -0.13 -2.79 0.03 0.00 0.10 0.00 0.00 34.13 31.34 2wb1 s GLU 69 CO 0.21 0.10 0.19 0.54 0.02 0.00 0.00 175.26 176.32 2wb1 s VAL 70 N -1.53 -0.02 -0.11 2.63 0.11 -1.04 -2.15 120.40 118.30 2wb1 s VAL 70 Ca 0.52 0.06 -0.03 0.00 -2.93 0.00 0.00 61.98 59.60 2wb1 s VAL 70 Cb -0.23 -0.29 -0.03 0.00 -1.53 0.00 0.00 36.38 34.30 2wb1 s VAL 70 CO 0.29 0.02 0.00 -1.61 -3.33 0.00 0.00 175.10 170.47 2wb1 s GLU 71 N 0.49 3.19 0.17 1.54 2.02 -1.07 -2.17 118.70 122.88 2wb1 s GLU 71 Ca -0.03 -0.42 0.04 0.00 0.02 0.00 0.00 54.97 54.58 2wb1 s GLU 71 Cb -0.05 -2.85 -0.05 0.00 0.10 0.00 0.00 34.13 31.29 2wb1 s GLU 71 CO -0.02 0.59 -0.08 -0.06 0.02 0.00 0.00 175.26 175.71 2wb1 s PHE 72 N -0.56 1.36 0.04 1.61 2.99 -0.14 -3.29 117.98 120.00 2wb1 s PHE 72 Ca 0.09 -0.80 0.07 0.00 0.00 0.00 0.00 56.93 56.29 2wb1 s PHE 72 Cb -0.12 -0.72 -0.02 0.00 0.00 0.00 0.00 43.02 42.16 2wb1 s PHE 72 CO 0.02 0.06 -0.19 -0.51 -0.00 0.00 0.00 175.22 174.60 2wb1 s ASP 73 N -3.21 2.23 0.09 1.36 1.11 -1.22 -1.25 116.67 115.79 2wb1 s ASP 73 Ca 0.20 -0.49 0.02 0.00 0.18 0.00 0.00 52.55 52.47 2wb1 s ASP 73 Cb 0.03 -0.18 -0.04 0.00 1.07 0.00 0.00 42.92 43.80 2wb1 s ASP 73 CO 0.03 0.13 -0.08 -0.04 1.18 0.00 0.00 175.17 176.40 2wb1 s MET 74 N -1.10 0.82 -0.30 8.23 -1.94 -0.02 -2.20 119.30 122.79 2wb1 s MET 74 Ca 0.06 -1.23 -0.02 0.00 -1.71 0.00 0.00 55.69 52.79 2wb1 s MET 74 Cb -0.08 -0.33 0.04 0.00 2.01 0.00 0.00 34.83 36.47 2wb1 s MET 74 CO 0.01 0.02 0.00 0.42 -0.01 0.00 0.00 175.02 175.47 2wb1 s ILE 75 N -3.03 3.09 0.31 2.53 1.01 -0.51 -2.87 121.20 121.73 2wb1 s ILE 75 Ca 0.08 -1.27 0.10 0.00 0.00 0.00 0.00 60.65 59.56 2wb1 s ILE 75 Cb 0.01 -2.73 -0.05 0.00 0.01 0.00 0.00 42.46 39.70 2wb1 s ILE 75 CO -0.02 -0.05 -0.08 -0.89 0.00 0.00 0.00 174.94 173.90 2wb1 s THR 76 N 1.29 2.62 -0.28 2.92 2.01 -0.62 0.64 115.64 124.23 2wb1 s THR 76 Ca -0.04 -2.14 0.02 0.00 0.31 0.00 0.00 61.69 59.84 2wb1 s THR 76 Cb -0.19 -2.63 0.08 0.00 0.01 0.00 0.00 72.50 69.77 2wb1 s THR 76 CO -0.01 -0.28 -0.02 -0.47 -0.69 0.00 0.00 174.62 173.14 2wb1 s TYR 77 N -2.51 2.98 -0.24 4.92 5.04 -0.39 -1.72 117.35 125.43 2wb1 s TYR 77 Ca 0.32 -2.29 -0.10 0.00 -2.44 0.00 0.00 57.07 52.56 2wb1 s TYR 77 Cb -0.02 -2.10 -0.05 0.00 0.35 0.00 0.00 41.96 40.14 2wb1 s TYR 77 CO 0.18 -0.87 0.14 0.54 -1.34 0.00 0.00 175.55 174.20 2wb1 s VAL 78 N 1.19 5.19 -1.15 3.14 0.11 -0.82 -2.42 120.40 125.64 2wb1 s VAL 78 Ca 0.00 0.12 -0.05 0.00 -2.93 0.00 0.00 61.98 59.12 2wb1 s VAL 78 Cb -0.19 -3.42 0.25 0.00 -1.53 0.00 0.00 36.38 31.50 2wb1 s VAL 78 CO -0.08 0.35 1.76 -0.81 -3.33 0.00 0.00 175.10 172.99 2wb1 n PRO 79 N 4.31 4.50 -2.43 1.54 -0.04 -1.26 -4.41 135.00 137.21 2wb1 n PRO 79 Ca -0.15 -4.20 -0.35 0.00 -0.04 0.00 0.00 63.50 58.76 2wb1 n PRO 79 Cb 0.52 -2.61 -0.02 0.00 -0.04 0.00 0.00 33.50 31.34 2wb1 n PRO 79 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2wb1 s VAL 80 N -2.17 3.52 0.29 0.52 0.11 -1.26 -4.94 120.40 116.47 2wb1 s VAL 80 Ca 0.38 1.02 -0.30 0.00 -2.93 0.00 0.00 61.98 60.15 2wb1 s VAL 80 Cb 0.11 -3.46 -0.12 0.00 -1.53 0.00 0.00 36.38 31.38 2wb1 s VAL 80 CO 0.01 -0.13 1.62 0.55 -3.33 0.00 0.00 175.10 173.83 2wb1 n VAL 81 N -0.76 0.93 -2.95 2.04 3.14 -1.26 -4.23 118.33 115.24 2wb1 n VAL 81 Ca 0.09 -0.23 -0.05 0.00 -2.96 0.00 0.00 64.34 61.19 2wb1 n VAL 81 Cb 0.51 -2.00 0.00 0.00 -1.06 0.00 0.00 33.84 31.29 2wb1 n VAL 81 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2wb1 n GLN 82 N 2.34 -2.24 -4.63 1.45 6.02 -0.98 -5.03 117.38 114.30 2wb1 n GLN 82 Ca 0.09 1.98 -0.30 0.00 -0.01 0.00 0.00 57.00 58.76 2wb1 n GLN 82 Cb 0.37 -3.80 -0.07 0.00 1.02 0.00 0.00 30.24 27.76 2wb1 n GLN 82 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 2wb1 s GLU 83 N -1.64 2.10 -0.10 -1.09 2.02 -1.26 -4.92 118.70 113.81 2wb1 s GLU 83 Ca 0.07 -2.33 0.02 0.00 0.02 0.00 0.00 54.97 52.75 2wb1 s GLU 83 Cb -0.01 -0.95 -0.01 0.00 0.10 0.00 0.00 34.13 33.25 2wb1 s GLU 83 CO 0.55 -0.49 -0.17 0.54 0.02 0.00 0.00 175.26 175.71 2wb1 s VAL 84 N -3.06 2.70 -0.01 2.63 0.11 -1.26 -3.81 120.40 117.70 2wb1 s VAL 84 Ca 0.13 -0.81 0.00 0.00 -2.93 0.00 0.00 61.98 58.38 2wb1 s VAL 84 Cb 0.01 -2.08 0.02 0.00 -1.53 0.00 0.00 36.38 32.79 2wb1 s VAL 84 CO 0.09 0.55 0.01 0.54 -3.33 0.00 0.00 175.10 172.96 2wb1 s VAL 85 N 0.10 0.02 -0.20 2.04 0.11 -1.18 -5.06 120.40 116.23 2wb1 s VAL 85 Ca -0.08 0.11 -0.09 0.00 -2.93 0.00 0.00 61.98 58.99 2wb1 s VAL 85 Cb -0.15 -0.10 -0.04 0.00 -1.53 0.00 0.00 36.38 34.56 2wb1 s VAL 85 CO 0.05 0.07 0.10 -1.61 -3.33 0.00 0.00 175.10 170.38 2wb1 s GLU 86 N 0.66 4.04 -0.17 1.54 2.02 -1.26 -3.37 118.70 122.16 2wb1 s GLU 86 Ca -0.06 -0.30 -0.30 0.00 0.02 0.00 0.00 54.97 54.33 2wb1 s GLU 86 Cb -0.08 -3.32 0.13 0.00 0.10 0.00 0.00 34.13 30.96 2wb1 s GLU 86 CO -0.02 0.24 1.04 0.20 0.02 0.00 0.00 175.26 176.74 2wb1 s GLY 87 N 0.50 -0.23 -0.16 -1.39 0.00 -0.95 -4.99 107.32 100.10 2wb1 s GLY 87 Ca 0.05 2.11 -0.06 0.00 0.00 0.00 0.00 44.72 46.83 2wb1 s GLY 87 CO 0.00 1.03 0.03 -0.54 0.00 0.00 0.00 173.10 173.62 2wb1 s GLU 88 N -1.11 3.73 0.21 2.90 2.02 -1.26 -1.22 118.70 123.97 2wb1 s GLU 88 Ca -0.00 -0.40 -0.32 0.00 0.02 0.00 0.00 54.97 54.27 2wb1 s GLU 88 Cb -0.01 -3.06 -0.12 0.00 0.10 0.00 0.00 34.13 31.04 2wb1 s GLU 88 CO 0.00 0.34 1.66 1.55 0.02 0.00 0.00 175.26 178.84 2wb1 n VAL 89 N 3.28 0.20 0.02 2.63 3.14 -1.03 -3.71 118.33 122.86 2wb1 n VAL 89 Ca -0.17 -0.05 -0.02 0.00 -2.96 0.00 0.00 64.34 61.14 2wb1 n VAL 89 Cb 0.53 -1.88 -0.01 0.00 -1.06 0.00 0.00 33.84 31.42 2wb1 n VAL 89 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 2wb1 h LEU 90 N 6.20 -0.12 -7.57 6.55 4.07 -1.50 -3.38 115.31 119.57 2wb1 h LEU 90 Ca -0.44 0.00 -0.54 0.00 0.08 0.00 0.00 57.88 56.98 2wb1 h LEU 90 Cb 1.22 0.03 -0.38 0.00 1.08 0.00 0.00 40.66 42.61 2wb1 h LEU 90 CO 0.91 0.26 -0.79 -1.10 -1.08 0.00 0.00 178.44 176.64 2wb1 s GLN 91 N -1.93 1.30 0.21 1.13 -0.21 -1.20 -4.67 119.66 114.29 2wb1 s GLN 91 Ca -0.02 -0.48 -0.30 0.00 0.02 0.00 0.00 55.36 54.58 2wb1 s GLN 91 Cb 0.00 -1.97 -0.08 0.00 1.00 0.00 0.00 33.01 31.96 2wb1 s GLN 91 CO 0.06 -0.45 1.14 0.54 -2.12 0.00 0.00 175.29 174.46 2wb1 s VAL 92 N 1.67 3.64 0.53 1.09 0.11 -1.25 -3.15 120.40 123.03 2wb1 s VAL 92 Ca 0.01 1.46 0.02 0.00 -2.93 0.00 0.00 61.98 60.54 2wb1 s VAL 92 Cb -0.15 -3.93 0.01 0.00 -1.53 0.00 0.00 36.38 30.77 2wb1 s VAL 92 CO -0.07 0.28 0.12 -1.81 -3.33 0.00 0.00 175.10 170.28 2wb1 s ASP 93 N -0.25 4.29 -0.03 3.54 1.11 0.53 -4.94 116.67 120.91 2wb1 s ASP 93 Ca 0.49 -1.57 0.14 0.00 0.18 0.00 0.00 52.55 51.79 2wb1 s ASP 93 Cb -0.31 0.60 0.46 0.00 1.07 0.00 0.00 42.92 44.74 2wb1 s ASP 93 CO 0.38 -0.98 1.36 0.59 1.18 0.00 0.00 175.17 177.70 2wb1 n ASN 94 N -1.45 2.99 -0.12 0.27 4.13 -1.26 -3.76 115.26 116.06 2wb1 n ASN 94 Ca -0.15 -2.13 -0.17 0.00 1.68 0.00 0.00 54.58 53.80 2wb1 n ASN 94 Cb 0.66 -0.40 -0.12 0.00 -1.54 0.00 0.00 39.78 38.39 2wb1 n ASN 94 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 2wb1 n TYR 95 N 0.85 0.00 0.00 3.10 4.01 -1.26 -4.84 117.16 119.01 2wb1 n TYR 95 Ca 0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.91 2wb1 n TYR 95 Cb 0.52 -0.96 0.00 0.00 -0.31 0.00 0.00 39.34 38.59 2wb1 n TYR 95 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2wb1 n GLY 96 N 2.30 -0.67 3.56 2.72 0.00 -1.25 -1.98 105.19 109.86 2wb1 n GLY 96 Ca -0.44 -0.42 -0.34 0.00 0.00 0.00 0.00 46.02 44.83 2wb1 n GLY 96 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wb1 s ILE 97 N -4.00 4.15 -0.47 -0.61 1.01 -0.52 -0.35 121.20 120.41 2wb1 s ILE 97 Ca 0.00 -0.27 -0.06 0.00 0.00 0.00 0.00 60.65 60.32 2wb1 s ILE 97 Cb 0.00 -2.82 0.12 0.00 0.01 0.00 0.00 42.46 39.77 2wb1 s ILE 97 CO 0.00 0.50 0.31 -0.36 0.00 0.00 0.00 174.94 175.40 2wb1 s PHE 98 N 0.16 3.50 -0.14 3.97 0.40 -1.19 -2.57 117.98 122.11 2wb1 s PHE 98 Ca 0.00 -2.20 -0.03 0.00 -0.60 0.00 0.00 56.93 54.11 2wb1 s PHE 98 Cb -0.13 -3.37 -0.03 0.00 0.51 0.00 0.00 43.02 40.01 2wb1 s PHE 98 CO 0.02 -0.97 -0.06 0.54 0.70 0.00 0.00 175.22 175.45 2wb1 s VAL 99 N 1.07 3.72 0.00 -0.44 0.11 -1.16 -1.33 120.40 122.37 2wb1 s VAL 99 Ca 0.08 -0.43 -0.30 0.00 -2.93 0.00 0.00 61.98 58.41 2wb1 s VAL 99 Cb -0.24 -2.61 -0.05 0.00 -1.53 0.00 0.00 36.38 31.96 2wb1 s VAL 99 CO -0.03 0.51 1.32 0.20 -3.33 0.00 0.00 175.10 173.77 2wb1 s ASN 100 N 0.23 6.93 0.00 3.54 0.02 -1.24 -0.95 114.94 123.47 2wb1 s ASN 100 Ca -0.04 2.04 0.19 0.00 -1.02 0.00 0.00 52.86 54.02 2wb1 s ASN 100 Cb -0.14 -2.56 0.27 0.00 0.02 0.00 0.00 41.25 38.84 2wb1 s ASN 100 CO 0.03 -0.64 1.21 0.18 0.02 0.00 0.00 177.10 177.90 2wb1 n LEU 101 N 5.02 2.91 0.00 0.60 4.32 -1.06 -4.43 117.00 124.37 2wb1 n LEU 101 Ca 0.12 -1.33 0.00 0.00 -0.02 0.00 0.00 56.01 54.77 2wb1 n LEU 101 Cb 0.45 -0.13 0.00 0.00 -1.62 0.00 0.00 43.42 42.11 2wb1 n LEU 101 CO 0.57 0.60 0.00 0.61 -1.22 0.00 0.00 177.39 177.95 2wb1 n GLY 102 N 1.11 0.75 0.00 -0.72 0.00 -1.26 -4.77 105.19 100.30 2wb1 n GLY 102 Ca 0.14 -0.58 0.13 0.00 0.00 0.00 0.00 46.02 45.70 2wb1 n GLY 102 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2wb1 n PRO 103 N 0.00 0.74 -4.40 1.61 -0.04 -1.26 -4.89 135.00 126.77 2wb1 n PRO 103 Ca 0.00 0.01 -0.22 0.00 -0.04 0.00 0.00 63.50 63.25 2wb1 n PRO 103 Cb 0.00 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 31.86 2wb1 n PRO 103 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 2wb1 s MET 104 N -2.06 1.47 0.12 0.54 -1.94 -1.26 -5.14 119.30 111.03 2wb1 s MET 104 Ca 0.36 -1.62 -0.08 0.00 -1.71 0.00 0.00 55.69 52.64 2wb1 s MET 104 Cb 0.17 -1.47 -0.06 0.00 2.01 0.00 0.00 34.83 35.48 2wb1 s MET 104 CO 0.30 0.28 0.42 -0.51 -0.01 0.00 0.00 175.02 175.50 2wb1 s ASP 105 N -3.20 6.60 -0.09 3.03 1.01 -1.26 -2.55 116.67 120.20 2wb1 s ASP 105 Ca 0.24 0.76 -0.01 0.00 0.71 0.00 0.00 52.55 54.25 2wb1 s ASP 105 Cb -0.04 -2.16 -0.03 0.00 1.01 0.00 0.00 42.92 41.70 2wb1 s ASP 105 CO 0.10 0.09 -0.05 -0.83 0.21 0.00 0.00 175.17 174.69 2wb1 s GLY 106 N -2.06 1.72 -0.46 0.21 0.00 -0.13 -3.69 107.32 102.91 2wb1 s GLY 106 Ca 0.38 -0.86 0.09 0.00 0.00 0.00 0.00 44.72 44.33 2wb1 s GLY 106 CO 0.21 -0.50 0.91 1.04 0.00 0.00 0.00 173.10 174.76 2wb1 n LEU 107 N 2.54 3.05 -4.64 0.66 4.32 -0.40 -3.00 117.00 119.54 2wb1 n LEU 107 Ca -0.18 -5.16 -0.43 0.00 -0.02 0.00 0.00 56.01 50.22 2wb1 n LEU 107 Cb 0.53 -0.03 -0.02 0.00 -1.62 0.00 0.00 43.42 42.27 2wb1 n LEU 107 CO 0.29 2.22 1.09 0.54 -1.22 0.00 0.00 177.39 180.31 2wb1 s VAL 108 N -3.87 4.23 0.82 4.08 0.11 -1.06 -4.24 120.40 120.47 2wb1 s VAL 108 Ca 0.43 1.41 -0.10 0.00 -2.93 0.00 0.00 61.98 60.79 2wb1 s VAL 108 Cb 0.34 -4.19 0.09 0.00 -1.53 0.00 0.00 36.38 31.10 2wb1 s VAL 108 CO -0.11 -0.43 1.10 -2.28 -3.33 0.00 0.00 175.10 170.06 2wb1 s HIS 109 N 4.12 2.30 0.08 1.54 2.46 -1.26 -1.44 115.29 123.08 2wb1 s HIS 109 Ca 0.54 1.59 -0.31 0.00 0.47 0.00 0.00 55.06 57.35 2wb1 s HIS 109 Cb -0.16 -3.13 -0.17 0.00 -0.13 0.00 0.00 32.58 28.98 2wb1 s HIS 109 CO 0.20 -2.12 1.65 0.82 -2.47 0.00 0.00 174.74 172.82 2wb1 h ILE 110 N -1.37 0.47 0.00 0.89 1.08 -1.77 -3.01 117.51 113.80 2wb1 h ILE 110 Ca -0.44 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.02 2wb1 h ILE 110 Cb 1.25 0.47 -0.00 0.00 -3.07 0.00 0.00 36.82 35.47 2wb1 h ILE 110 CO 0.49 0.00 -0.03 0.77 -0.69 0.00 0.00 178.15 178.69 2wb1 h SER 111 N -0.70 0.00 -0.11 1.72 4.64 -1.88 -1.49 113.55 115.73 2wb1 h SER 111 Ca -0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 2wb1 h SER 111 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 2wb1 h SER 111 CO 0.10 0.03 0.00 0.00 -0.87 0.00 0.00 176.83 176.09 2wb1 n GLN 112 N -3.42 1.39 -3.40 4.77 6.02 -1.14 -3.78 117.38 117.82 2wb1 n GLN 112 Ca -0.02 -0.60 -0.32 0.00 -0.01 0.00 0.00 57.00 56.04 2wb1 n GLN 112 Cb 0.14 -1.29 -0.06 0.00 1.02 0.00 0.00 30.24 30.05 2wb1 n GLN 112 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 2wb1 n ILE 113 N -0.14 3.14 -2.32 5.09 5.41 -0.56 -0.70 119.36 129.27 2wb1 n ILE 113 Ca 0.13 -5.35 -0.39 0.00 1.00 0.00 0.00 62.75 58.14 2wb1 n ILE 113 Cb 0.19 -2.15 -0.03 0.00 -0.71 0.00 0.00 39.64 36.95 2wb1 n ILE 113 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 2wb1 s THR 114 N -2.29 3.20 0.00 1.39 -1.32 -1.19 -4.92 115.64 110.49 2wb1 s THR 114 Ca 0.34 1.07 0.00 0.00 -1.21 0.00 0.00 61.69 61.90 2wb1 s THR 114 Cb 0.07 -3.63 0.00 0.00 -1.51 0.00 0.00 72.50 67.43 2wb1 s THR 114 CO -0.02 0.16 0.00 -0.67 -2.21 0.00 0.00 174.62 171.88 2wb1 n ASP 115 N 0.44 1.32 0.00 8.08 2.03 -1.26 -4.89 116.55 122.27 2wb1 n ASP 115 Ca 0.02 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.33 2wb1 n ASP 115 Cb 0.45 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.85 2wb1 n ASP 115 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2wb1 n ASP 116 N -2.04 0.00 -1.82 1.67 8.00 -1.26 -4.96 116.55 116.13 2wb1 n ASP 116 Ca 0.00 0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.33 2wb1 n ASP 116 Cb 0.20 0.00 0.10 0.00 -0.02 0.00 0.00 41.12 41.40 2wb1 n ASP 116 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2wb1 n THR 117 N 0.00 2.52 0.00 -3.53 -1.04 -1.26 -4.88 114.28 106.09 2wb1 n THR 117 Ca 0.00 -1.38 0.00 0.00 -2.04 0.00 0.00 64.05 60.63 2wb1 n THR 117 Cb 0.00 -0.80 0.00 0.00 -1.82 0.00 0.00 70.33 67.71 2wb1 n THR 117 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2wb1 n LEU 118 N -0.42 0.00 -4.57 -4.42 4.32 -1.26 -4.93 117.00 105.72 2wb1 n LEU 118 Ca 0.38 0.00 -0.42 0.00 -0.02 0.00 0.00 56.01 55.95 2wb1 n LEU 118 Cb 1.10 -0.13 -0.03 0.00 -1.62 0.00 0.00 43.42 42.74 2wb1 n LEU 118 CO 0.41 0.00 1.21 -0.54 -1.22 0.00 0.00 177.39 177.25 2wb1 s LYS 119 N 0.00 3.32 -0.09 3.23 1.02 -1.26 -4.49 119.74 121.47 2wb1 s LYS 119 Ca 0.00 0.33 -0.07 0.00 0.02 0.00 0.00 55.97 56.25 2wb1 s LYS 119 Cb 0.00 -4.11 0.03 0.00 -0.52 0.00 0.00 37.83 33.23 2wb1 s LYS 119 CO 0.00 -1.92 0.23 0.71 -0.92 0.00 0.00 175.35 173.45 2wb1 s TYR 120 N 5.84 -0.28 -0.02 3.18 2.02 -1.26 -5.04 117.35 121.79 2wb1 s TYR 120 Ca 0.48 0.67 0.05 0.00 -0.37 0.00 0.00 57.07 57.90 2wb1 s TYR 120 Cb -0.10 0.07 -0.01 0.00 -0.40 0.00 0.00 41.96 41.52 2wb1 s TYR 120 CO 0.24 -0.16 -0.18 -0.51 -1.57 0.00 0.00 175.55 173.37 2wb1 s ASP 121 N 0.56 2.08 -0.16 2.29 1.01 -1.26 -4.86 116.67 116.33 2wb1 s ASP 121 Ca -0.04 -0.32 -0.08 0.00 0.71 0.00 0.00 52.55 52.82 2wb1 s ASP 121 Cb -0.05 -0.29 -0.04 0.00 1.01 0.00 0.00 42.92 43.55 2wb1 s ASP 121 CO -0.03 0.21 0.12 0.20 0.21 0.00 0.00 175.17 175.88 2wb1 s ASN 122 N -0.34 6.20 -0.14 0.27 0.01 -1.26 -4.70 114.94 114.98 2wb1 s ASN 122 Ca 0.05 0.31 -0.08 0.00 -0.71 0.00 0.00 52.86 52.43 2wb1 s ASN 122 Cb -0.08 -2.05 -0.04 0.00 0.41 0.00 0.00 41.25 39.49 2wb1 s ASN 122 CO -0.00 0.28 0.15 0.54 -1.51 0.00 0.00 177.10 176.56 2wb1 s VAL 123 N -0.26 5.47 -1.11 1.60 0.11 -1.26 -4.95 120.40 120.00 2wb1 s VAL 123 Ca 0.11 0.23 0.28 0.00 -2.93 0.00 0.00 61.98 59.67 2wb1 s VAL 123 Cb -0.12 -3.43 0.30 0.00 -1.53 0.00 0.00 36.38 31.60 2wb1 s VAL 123 CO 0.01 0.57 1.92 0.54 -3.33 0.00 0.00 175.10 174.81 2wb1 n ARG 124 N 2.36 0.10 0.22 1.54 1.74 -1.26 -3.17 116.66 118.19 2wb1 n ARG 124 Ca -0.19 0.02 0.17 0.00 -0.77 0.00 0.00 57.85 57.08 2wb1 n ARG 124 Cb 0.54 -1.50 0.84 0.00 -1.02 0.00 0.00 32.46 31.32 2wb1 n ARG 124 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 2wb1 h GLY 125 N 4.78 0.00 -0.06 -0.13 0.00 -1.94 0.46 103.07 106.19 2wb1 h GLY 125 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2wb1 h GLY 125 CO 0.00 0.00 -0.02 1.39 0.00 0.00 0.00 176.54 177.91 2wb1 n ILE 126 N -3.82 0.00 0.00 2.60 -0.00 -1.25 -5.02 119.36 111.88 2wb1 n ILE 126 Ca 0.01 -0.49 0.00 0.00 -0.00 0.00 0.00 62.75 62.27 2wb1 n ILE 126 Cb 0.28 1.01 0.00 0.00 -0.00 0.00 0.00 39.64 40.94 2wb1 n ILE 126 CO 0.00 0.00 0.00 -0.38 -0.00 0.00 0.00 176.55 176.17 2wb1 n ILE 127 N -0.36 0.00 -1.67 1.39 5.41 0.15 -4.94 119.36 119.34 2wb1 n ILE 127 Ca 0.00 0.00 -0.29 0.00 1.00 0.00 0.00 62.75 63.46 2wb1 n ILE 127 Cb 0.02 0.00 0.10 0.00 -0.71 0.00 0.00 39.64 39.05 2wb1 n ILE 127 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 2wb1 s PHE 128 N 0.00 2.84 -0.19 1.39 0.40 -1.26 -4.68 117.98 116.49 2wb1 s PHE 128 Ca 0.00 0.96 -0.22 0.00 -0.60 0.00 0.00 56.93 57.07 2wb1 s PHE 128 Cb 0.00 -3.27 -0.02 0.00 0.51 0.00 0.00 43.02 40.24 2wb1 s PHE 128 CO 0.00 -1.85 0.69 0.20 0.70 0.00 0.00 175.22 174.96 2wb1 s GLY 129 N -4.15 2.05 -0.15 4.36 0.00 -1.25 -4.32 107.32 103.85 2wb1 s GLY 129 Ca 0.61 -0.19 0.00 0.00 0.00 0.00 0.00 44.72 45.15 2wb1 s GLY 129 CO 0.52 1.43 -0.10 -0.54 0.00 0.00 0.00 173.10 174.41 2wb1 s GLU 130 N 2.02 1.91 -0.34 2.90 2.02 -1.26 -3.39 118.70 122.56 2wb1 s GLU 130 Ca 0.31 -0.54 0.02 0.00 0.02 0.00 0.00 54.97 54.78 2wb1 s GLU 130 Cb -0.16 -2.04 0.10 0.00 0.10 0.00 0.00 34.13 32.13 2wb1 s GLU 130 CO 0.11 -0.32 0.08 0.15 0.02 0.00 0.00 175.26 175.30 2wb1 s LYS 131 N 1.55 1.15 -1.29 1.61 1.02 -1.19 -4.57 119.74 118.01 2wb1 s LYS 131 Ca 0.03 -1.56 -0.26 0.00 0.02 0.00 0.00 55.97 54.20 2wb1 s LYS 131 Cb -0.14 -2.64 0.03 0.00 -0.52 0.00 0.00 37.83 34.56 2wb1 s LYS 131 CO -0.09 -0.97 0.53 0.43 -0.92 0.00 0.00 175.35 174.32 2wb1 n SER 132 N 4.45 -2.93 -1.57 2.83 7.64 -1.26 -2.00 113.62 120.78 2wb1 n SER 132 Ca 0.02 -1.28 -0.12 0.00 1.01 0.00 0.00 58.87 58.49 2wb1 n SER 132 Cb 0.41 -1.73 0.01 0.00 -1.01 0.00 0.00 64.21 61.89 2wb1 n SER 132 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2wb1 n LYS 133 N -4.92 -1.89 -3.75 1.43 5.02 -1.26 -5.04 118.16 107.75 2wb1 n LYS 133 Ca -0.16 0.53 -0.13 0.00 -2.02 0.00 0.00 58.31 56.53 2wb1 n LYS 133 Cb 0.60 -4.61 -0.14 0.00 -0.02 0.00 0.00 35.03 30.86 2wb1 n LYS 133 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2wb1 s LYS 134 N -4.90 0.16 -0.22 1.97 1.02 -0.85 -5.14 119.74 111.78 2wb1 s LYS 134 Ca 0.09 0.41 -0.29 0.00 0.02 0.00 0.00 55.97 56.20 2wb1 s LYS 134 Cb -0.04 -0.11 -0.00 0.00 -0.52 0.00 0.00 37.83 37.16 2wb1 s LYS 134 CO 0.11 -0.14 1.21 0.54 -0.92 0.00 0.00 175.35 176.15 2wb1 s VAL 135 N 1.03 4.36 -0.38 3.17 0.11 -1.26 -3.18 120.40 124.25 2wb1 s VAL 135 Ca -0.08 1.62 0.02 0.00 -2.93 0.00 0.00 61.98 60.61 2wb1 s VAL 135 Cb -0.09 -4.13 0.15 0.00 -1.53 0.00 0.00 36.38 30.78 2wb1 s VAL 135 CO -0.06 -0.24 0.27 -0.63 -3.33 0.00 0.00 175.10 171.11 2wb1 s ILE 136 N 3.61 0.24 0.00 7.04 1.09 -1.22 -5.04 121.20 126.93 2wb1 s ILE 136 Ca 0.52 -2.14 0.00 0.00 -1.10 0.00 0.00 60.65 57.93 2wb1 s ILE 136 Cb -0.19 -1.19 0.00 0.00 -1.06 0.00 0.00 42.46 40.03 2wb1 s ILE 136 CO 0.14 -1.10 0.00 0.00 -0.10 0.00 0.00 174.94 173.88 2wb1 n GLN 137 N 3.50 0.00 0.00 2.79 -0.00 -1.26 -3.89 117.38 118.51 2wb1 n GLN 137 Ca 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.20 2wb1 n GLN 137 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 30.24 30.66 2wb1 n GLN 137 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 2wb1 n LYS 138 N 0.00 0.00 -2.80 2.61 5.02 -1.26 -3.61 118.16 118.12 2wb1 n LYS 138 Ca 0.00 0.00 -0.15 0.00 -2.02 0.00 0.00 58.31 56.14 2wb1 n LYS 138 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2wb1 n LYS 138 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wb1 n GLY 139 N 0.00 2.98 3.78 0.72 0.00 -1.26 -3.87 105.19 107.53 2wb1 n GLY 139 Ca 0.00 -1.70 -0.30 0.00 0.00 0.00 0.00 46.02 44.02 2wb1 n GLY 139 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wb1 s ASP 140 N -3.01 4.22 0.23 1.61 1.11 -1.24 -4.42 116.67 115.18 2wb1 s ASP 140 Ca 0.35 1.41 -0.31 0.00 0.18 0.00 0.00 52.55 54.18 2wb1 s ASP 140 Cb 0.41 -2.13 -0.10 0.00 1.07 0.00 0.00 42.92 42.16 2wb1 s ASP 140 CO -0.04 -2.15 1.52 -0.54 1.18 0.00 0.00 175.17 175.14 2wb1 s LYS 141 N -5.07 4.22 0.01 8.23 -0.14 -1.26 -2.46 119.74 123.28 2wb1 s LYS 141 Ca 0.61 2.38 -0.07 0.00 -1.36 0.00 0.00 55.97 57.53 2wb1 s LYS 141 Cb -0.16 -3.11 -0.00 0.00 -1.68 0.00 0.00 37.83 32.88 2wb1 s LYS 141 CO 0.55 -0.53 0.13 0.54 -0.76 0.00 0.00 175.35 175.29 2wb1 s VAL 142 N 0.40 0.10 -0.03 3.17 0.11 -0.36 -3.70 120.40 120.10 2wb1 s VAL 142 Ca 0.64 -0.80 0.04 0.00 -2.93 0.00 0.00 61.98 58.93 2wb1 s VAL 142 Cb -0.44 -0.57 -0.00 0.00 -1.53 0.00 0.00 36.38 33.84 2wb1 s VAL 142 CO 0.40 -0.44 -0.13 -0.13 -3.33 0.00 0.00 175.10 171.47 2wb1 s ARG 143 N -1.75 1.29 0.19 1.54 0.52 0.12 -2.23 118.95 118.63 2wb1 s ARG 143 Ca -0.12 -0.47 -0.22 0.00 -0.52 0.00 0.00 55.73 54.40 2wb1 s ARG 143 Cb -0.06 -1.18 0.05 0.00 0.52 0.00 0.00 34.95 34.28 2wb1 s ARG 143 CO -0.00 0.22 0.62 0.00 0.02 0.00 0.00 175.30 176.15 2wb1 s ALA 144 N -0.02 -1.44 -0.13 2.13 0.00 -1.22 -2.00 121.76 119.08 2wb1 s ALA 144 Ca -0.01 0.23 -0.03 0.00 0.00 0.00 0.00 51.96 52.16 2wb1 s ALA 144 Cb -0.09 0.87 -0.03 0.00 0.00 0.00 0.00 23.12 23.88 2wb1 s ALA 144 CO 0.01 -0.83 -0.03 1.03 0.00 0.00 0.00 175.76 175.94 2wb1 s ARG 145 N -3.80 3.38 0.36 0.00 0.52 -1.05 -3.10 118.95 115.26 2wb1 s ARG 145 Ca 0.04 -0.49 -0.27 0.00 -0.52 0.00 0.00 55.73 54.49 2wb1 s ARG 145 Cb -0.02 -2.85 -0.09 0.00 0.52 0.00 0.00 34.95 32.50 2wb1 s ARG 145 CO -0.08 0.42 1.25 0.54 0.02 0.00 0.00 175.30 177.46 2wb1 s VAL 146 N -0.12 2.88 0.00 3.52 0.11 -1.25 -1.36 120.40 124.18 2wb1 s VAL 146 Ca 0.03 0.83 -0.06 0.00 -2.93 0.00 0.00 61.98 59.85 2wb1 s VAL 146 Cb -0.13 -3.50 -0.02 0.00 -1.53 0.00 0.00 36.38 31.20 2wb1 s VAL 146 CO 0.02 0.15 -0.11 -0.38 -3.33 0.00 0.00 175.10 171.46 2wb1 n ILE 147 N 0.51 1.17 -4.00 7.04 2.08 0.54 -2.31 119.36 124.39 2wb1 n ILE 147 Ca 0.02 0.30 -0.22 0.00 0.56 0.00 0.00 62.75 63.41 2wb1 n ILE 147 Cb 0.44 -1.77 -0.04 0.00 -0.75 0.00 0.00 39.64 37.51 2wb1 n ILE 147 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 2wb1 s SER 148 N -5.81 5.35 -0.10 4.38 1.04 -1.21 -4.60 113.70 112.76 2wb1 s SER 148 Ca -0.09 -0.39 -0.12 0.00 0.48 0.00 0.00 55.95 55.84 2wb1 s SER 148 Cb 0.01 -1.18 0.03 0.00 0.10 0.00 0.00 66.02 64.98 2wb1 s SER 148 CO 0.13 -0.17 0.31 0.54 0.98 0.00 0.00 173.24 175.03 2wb1 s VAL 149 N -2.22 0.01 -0.12 5.02 0.11 -1.26 -2.88 120.40 119.06 2wb1 s VAL 149 Ca 0.36 -0.10 -0.05 0.00 -2.93 0.00 0.00 61.98 59.27 2wb1 s VAL 149 Cb -0.07 -0.47 0.06 0.00 -1.53 0.00 0.00 36.38 34.36 2wb1 s VAL 149 CO 0.25 -0.05 0.25 0.00 -3.33 0.00 0.00 175.10 172.21 2wb1 s ALA 150 N -0.12 -0.51 -0.12 1.54 0.00 -1.02 -5.02 121.76 116.50 2wb1 s ALA 150 Ca -0.03 0.92 -0.06 0.00 0.00 0.00 0.00 51.96 52.79 2wb1 s ALA 150 Cb -0.03 -0.86 0.05 0.00 0.00 0.00 0.00 23.12 22.28 2wb1 s ALA 150 CO 0.01 -0.47 0.27 -1.54 0.00 0.00 0.00 175.76 174.03 2wb1 s SER 151 N 1.98 -0.29 -0.04 0.00 1.04 -1.26 0.43 113.70 115.56 2wb1 s SER 151 Ca -0.02 0.59 -0.28 0.00 0.48 0.00 0.00 55.95 56.71 2wb1 s SER 151 Cb -0.11 0.48 -0.03 0.00 0.10 0.00 0.00 66.02 66.45 2wb1 s SER 151 CO -0.08 -0.17 0.92 -0.89 0.98 0.00 0.00 173.24 174.00 2wb1 s THR 152 N 1.32 4.89 -0.71 2.02 2.01 -1.26 -4.98 115.64 118.93 2wb1 s THR 152 Ca -0.09 1.92 -0.02 0.00 0.31 0.00 0.00 61.69 63.81 2wb1 s THR 152 Cb -0.10 -4.26 0.34 0.00 0.01 0.00 0.00 72.50 68.50 2wb1 s THR 152 CO -0.09 0.15 2.11 0.55 -0.69 0.00 0.00 174.62 176.65 2wb1 n VAL 153 N 4.02 3.53 -1.49 3.82 3.14 -1.26 -4.79 118.33 125.29 2wb1 n VAL 153 Ca 0.05 -3.51 0.00 0.00 -2.96 0.00 0.00 64.34 57.92 2wb1 n VAL 153 Cb 0.51 -1.26 0.00 0.00 -1.06 0.00 0.00 33.84 32.03 2wb1 n VAL 153 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 2wb1 n LEU 157 N -0.46 -2.03 -4.78 6.55 4.32 -1.26 -5.06 117.00 114.28 2wb1 n LEU 157 Ca 0.55 0.38 -0.38 0.00 -0.02 0.00 0.00 56.01 56.54 2wb1 n LEU 157 Cb 0.44 -0.71 -0.06 0.00 -1.62 0.00 0.00 43.42 41.47 2wb1 n LEU 157 CO 0.58 -1.15 0.19 -2.16 -1.22 0.00 0.00 177.39 173.63 2wb1 s PRO 158 N -0.10 4.19 0.00 3.23 0.04 -1.26 -4.17 135.00 136.94 2wb1 s PRO 158 Ca 0.00 0.53 0.00 0.00 0.04 0.00 0.00 61.00 61.57 2wb1 s PRO 158 Cb 0.00 -3.33 -0.00 0.00 0.04 0.00 0.00 34.50 31.21 2wb1 s PRO 158 CO 0.00 0.42 -0.02 1.03 0.04 0.00 0.00 177.00 178.48 2wb1 s ARG 159 N -0.27 0.13 -0.10 4.56 0.52 0.17 -4.78 118.95 119.18 2wb1 s ARG 159 Ca 0.27 -0.10 0.02 0.00 -0.52 0.00 0.00 55.73 55.40 2wb1 s ARG 159 Cb -0.17 -0.09 0.01 0.00 0.52 0.00 0.00 34.95 35.22 2wb1 s ARG 159 CO 0.14 0.02 -0.16 0.42 0.02 0.00 0.00 175.30 175.73 2wb1 s ILE 160 N -0.16 1.54 -0.28 1.52 -1.09 -1.24 -2.44 121.20 119.05 2wb1 s ILE 160 Ca -0.01 -0.69 0.03 0.00 -2.23 0.00 0.00 60.65 57.75 2wb1 s ILE 160 Cb -0.01 -1.39 0.07 0.00 -1.58 0.00 0.00 42.46 39.55 2wb1 s ILE 160 CO -0.00 0.45 -0.06 0.00 -1.23 0.00 0.00 174.94 174.10 2wb1 s ALA 161 N 0.76 2.64 0.61 9.38 0.00 -1.14 -1.27 121.76 132.74 2wb1 s ALA 161 Ca -0.11 -1.99 0.04 0.00 0.00 0.00 0.00 51.96 49.90 2wb1 s ALA 161 Cb -0.16 -1.70 0.09 0.00 0.00 0.00 0.00 23.12 21.35 2wb1 s ALA 161 CO 0.02 -1.36 0.84 -0.51 0.00 0.00 0.00 175.76 174.75 2wb1 s LEU 162 N 1.06 3.15 -0.02 0.00 1.02 -1.26 -0.34 118.68 122.28 2wb1 s LEU 162 Ca -0.03 -0.49 -0.22 0.00 0.02 0.00 0.00 54.13 53.42 2wb1 s LEU 162 Cb -0.20 -2.07 0.04 0.00 0.02 0.00 0.00 46.19 43.99 2wb1 s LEU 162 CO -0.06 -1.44 0.48 -0.89 0.02 0.00 0.00 176.35 174.46 2wb1 s THR 163 N -2.83 0.03 -0.40 5.49 2.01 -0.46 -4.29 115.64 115.18 2wb1 s THR 163 Ca 0.62 -0.26 0.01 0.00 0.31 0.00 0.00 61.69 62.37 2wb1 s THR 163 Cb -0.07 -0.81 0.14 0.00 0.01 0.00 0.00 72.50 71.77 2wb1 s THR 163 CO 0.40 -0.14 0.24 -0.04 -0.69 0.00 0.00 174.62 174.38 2wb1 s MET 164 N -1.39 0.96 -0.09 4.92 -1.94 0.12 -2.54 119.30 119.34 2wb1 s MET 164 Ca -0.12 -1.73 0.09 0.00 -1.71 0.00 0.00 55.69 52.22 2wb1 s MET 164 Cb -0.03 -1.84 -0.12 0.00 2.01 0.00 0.00 34.83 34.85 2wb1 s MET 164 CO 0.06 -1.20 0.06 0.54 -0.01 0.00 0.00 175.02 174.47 2wb1 n ARG 165 N 3.70 2.17 -3.36 2.03 1.74 -1.26 -3.20 116.66 118.47 2wb1 n ARG 165 Ca 0.12 -0.02 -0.35 0.00 -0.77 0.00 0.00 57.85 56.83 2wb1 n ARG 165 Cb 0.36 -1.25 -0.06 0.00 -1.02 0.00 0.00 32.46 30.50 2wb1 n ARG 165 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2wb1 s GLN 166 N -2.29 3.98 0.00 5.56 -0.21 -1.26 -4.92 119.66 120.51 2wb1 s GLN 166 Ca -0.05 0.49 0.00 0.00 0.02 0.00 0.00 55.36 55.82 2wb1 s GLN 166 Cb 0.03 -2.94 0.00 0.00 1.00 0.00 0.00 33.01 31.10 2wb1 s GLN 166 CO 0.40 0.49 0.55 -0.35 -2.12 0.00 0.00 175.29 174.26 2wb1 n PRO 167 N 0.83 0.00 0.00 2.91 -0.04 -1.26 -1.21 135.00 136.23 2wb1 n PRO 167 Ca -0.06 0.10 0.12 0.00 -0.04 0.00 0.00 63.50 63.62 2wb1 n PRO 167 Cb 0.52 -1.52 0.21 0.00 -0.04 0.00 0.00 33.50 32.67 2wb1 n PRO 167 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2wb1 n TYR 168 N -1.05 0.00 -5.13 0.54 4.01 -1.26 -4.88 117.16 109.39 2wb1 n TYR 168 Ca 0.00 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.42 2wb1 n TYR 168 Cb 0.02 -0.11 -0.15 0.00 -0.31 0.00 0.00 39.34 38.78 2wb1 n TYR 168 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2wb1 s LEU 169 N -2.68 2.32 0.00 7.72 1.02 -0.35 -5.00 118.68 121.72 2wb1 s LEU 169 Ca 0.18 -0.39 0.00 0.00 0.02 0.00 0.00 54.13 53.94 2wb1 s LEU 169 Cb 0.18 -1.44 0.00 0.00 0.02 0.00 0.00 46.19 44.95 2wb1 s LEU 169 CO 0.62 0.29 0.00 0.61 0.02 0.00 0.00 176.35 177.89 2wb1 n GLY 170 N 2.65 0.35 3.61 -3.19 0.00 -0.85 -4.82 105.19 102.94 2wb1 n GLY 170 Ca -0.17 -1.08 -0.28 0.00 0.00 0.00 0.00 46.02 44.49 2wb1 n GLY 170 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wb1 s LYS 171 N -1.47 -0.07 0.30 1.61 1.02 -1.26 0.14 119.74 120.00 2wb1 s LYS 171 Ca 0.00 0.61 0.23 0.00 0.02 0.00 0.00 55.97 56.83 2wb1 s LYS 171 Cb 0.00 -1.67 0.15 0.00 -0.52 0.00 0.00 37.83 35.79 2wb1 s LYS 171 CO 0.00 -3.10 1.29 -0.07 -0.92 0.00 0.00 175.35 172.56 2wb1 h LEU 172 N -2.16 0.00 -0.67 3.17 4.07 -1.96 -3.23 115.31 114.53 2wb1 h LEU 172 Ca -0.57 -0.00 -0.08 0.00 0.08 0.00 0.00 57.88 57.31 2wb1 h LEU 172 Cb 1.33 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.06 2wb1 h LEU 172 CO 0.55 0.00 -0.39 -0.33 -1.08 0.00 0.00 178.44 177.20 2wb1 h GLU 173 N 0.00 0.00 0.28 1.13 5.08 -1.93 -2.53 114.58 116.61 2wb1 h GLU 173 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2wb1 h GLU 173 Cb 1.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.25 2wb1 h GLU 173 CO 0.00 0.39 -0.13 2.35 -1.00 0.00 0.00 179.01 180.61 2wb1 h TRP 174 N 0.00 -0.35 0.21 4.33 7.01 -1.90 -3.14 115.95 122.11 2wb1 h TRP 174 Ca -0.00 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 60.98 2wb1 h TRP 174 Cb 1.03 0.12 0.00 0.00 -2.10 0.00 0.00 29.16 28.20 2wb1 h TRP 174 CO 0.00 -0.08 -0.10 0.82 -2.79 0.00 0.00 178.44 176.29 2wb1 h ILE 175 N -0.60 0.82 -0.49 2.65 1.08 -1.59 -3.27 117.51 116.11 2wb1 h ILE 175 Ca -0.04 -0.91 0.07 0.00 -0.39 0.00 0.00 64.86 63.59 2wb1 h ILE 175 Cb 0.43 1.29 -0.03 0.00 -3.07 0.00 0.00 36.82 35.45 2wb1 h ILE 175 CO 0.06 0.18 0.33 0.00 -0.69 0.00 0.00 178.15 178.04 2wb1 h THR 176 N -0.79 0.95 -0.02 -0.27 1.03 -1.61 -3.52 112.91 108.67 2wb1 h THR 176 Ca -0.03 -0.13 0.00 0.00 -0.01 0.00 0.00 66.41 66.24 2wb1 h THR 176 Cb 0.51 0.53 0.00 0.00 -1.07 0.00 0.00 68.15 68.12 2wb1 h THR 176 CO 0.05 0.07 0.00 0.00 -0.01 0.00 0.00 175.52 175.63