#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wf9 s PHE 2 N 0.00 2.68 -0.53 1.12 -0.12 -1.26 -4.97 117.98 114.90 2wf9 s PHE 2 Ca 0.00 1.53 0.18 0.00 -0.05 0.00 0.00 56.93 58.59 2wf9 s PHE 2 Cb 0.00 -3.35 -0.23 0.00 -0.63 0.00 0.00 43.02 38.82 2wf9 s PHE 2 CO 0.00 -1.66 0.62 1.63 -0.05 0.00 0.00 175.22 175.76 2wf9 n LYS 3 N -1.10 0.94 -3.64 1.99 5.02 0.88 -4.98 118.16 117.27 2wf9 n LYS 3 Ca 0.11 -0.06 -0.14 0.00 -2.02 0.00 0.00 58.31 56.19 2wf9 n LYS 3 Cb 0.50 -1.37 -0.07 0.00 -0.02 0.00 0.00 35.03 34.07 2wf9 n LYS 3 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wf9 s ALA 4 N -2.89 -1.17 -0.10 7.82 0.00 -1.19 -1.17 121.76 123.07 2wf9 s ALA 4 Ca 0.02 0.57 0.03 0.00 0.00 0.00 0.00 51.96 52.58 2wf9 s ALA 4 Cb 0.13 0.22 0.00 0.00 0.00 0.00 0.00 23.12 23.47 2wf9 s ALA 4 CO 0.74 -0.40 -0.21 0.08 0.00 0.00 0.00 175.76 175.96 2wf9 s VAL 5 N -1.94 1.86 -0.34 0.00 1.01 0.05 -1.53 120.40 119.51 2wf9 s VAL 5 Ca -0.08 -0.89 -0.08 0.00 0.00 0.00 0.00 61.98 60.93 2wf9 s VAL 5 Cb -0.02 -1.62 0.03 0.00 0.00 0.00 0.00 36.38 34.77 2wf9 s VAL 5 CO 0.02 0.51 0.12 -0.76 0.00 0.00 0.00 175.10 175.00 2wf9 s LEU 6 N 0.49 4.30 -0.23 3.92 1.43 0.81 -1.85 118.68 127.55 2wf9 s LEU 6 Ca -0.16 -1.00 -0.14 0.00 -1.03 0.00 0.00 54.13 51.81 2wf9 s LEU 6 Cb -0.17 -1.91 -0.04 0.00 0.03 0.00 0.00 46.19 44.10 2wf9 s LEU 6 CO 0.06 -0.31 0.30 -0.36 0.23 0.00 0.00 176.35 176.27 2wf9 s PHE 7 N 1.46 3.32 0.77 0.29 0.08 0.33 -1.40 117.98 122.83 2wf9 s PHE 7 Ca 0.00 0.42 -0.12 0.00 0.12 0.00 0.00 56.93 57.35 2wf9 s PHE 7 Cb -0.19 -2.44 0.06 0.00 -0.57 0.00 0.00 43.02 39.89 2wf9 s PHE 7 CO 0.04 -0.03 1.12 0.34 -0.10 0.00 0.00 175.22 176.59 2wf9 s ASP 8 N 1.19 4.25 -0.01 1.36 2.15 -0.81 -0.13 116.67 124.67 2wf9 s ASP 8 Ca 0.14 2.01 -0.01 0.00 0.43 0.00 0.00 52.55 55.12 2wf9 s ASP 8 Cb -0.15 -2.55 -0.00 0.00 -0.30 0.00 0.00 42.92 39.92 2wf9 s ASP 8 CO 0.07 -2.21 -0.02 -0.11 -0.17 0.00 0.00 175.17 172.73 2wf9 n LEU 9 N -3.33 0.16 -4.67 -1.34 7.94 -1.26 -4.02 117.00 110.47 2wf9 n LEU 9 Ca 0.11 0.11 -0.42 0.00 -1.11 0.00 0.00 56.01 54.69 2wf9 n LEU 9 Cb 0.52 -0.52 -0.03 0.00 0.53 0.00 0.00 43.42 43.92 2wf9 n LEU 9 CO 0.50 -0.49 1.35 -0.62 -1.11 0.00 0.00 177.39 177.03 2wf9 s ASP 10 N -4.00 6.64 0.00 1.96 2.15 -1.26 -0.94 116.67 121.22 2wf9 s ASP 10 Ca -0.02 2.36 0.00 0.00 0.43 0.00 0.00 52.55 55.32 2wf9 s ASP 10 Cb 0.00 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 40.08 2wf9 s ASP 10 CO 0.03 -0.90 0.00 0.61 -0.17 0.00 0.00 175.17 174.74 2wf9 n GLY 11 N 4.06 0.84 1.26 2.66 0.00 0.14 -4.73 105.19 109.42 2wf9 n GLY 11 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2wf9 n GLY 11 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wf9 n VAL 12 N -2.01 0.92 0.09 1.61 0.31 -0.76 -4.68 118.33 113.81 2wf9 n VAL 12 Ca 0.00 0.30 -0.21 0.00 -0.01 0.00 0.00 64.34 64.42 2wf9 n VAL 12 Cb 0.00 -1.32 -0.15 0.00 -0.91 0.00 0.00 33.84 31.46 2wf9 n VAL 12 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2wf9 h ILE 13 N 0.00 1.09 -3.05 2.52 2.04 -1.18 -3.43 117.51 115.51 2wf9 h ILE 13 Ca 0.00 -2.66 -0.00 0.00 1.00 0.00 0.00 64.86 63.20 2wf9 h ILE 13 Cb 0.00 2.83 -0.02 0.00 -0.74 0.00 0.00 36.82 38.90 2wf9 h ILE 13 CO 0.00 0.84 0.24 0.28 0.00 0.00 0.00 178.15 179.51 2wf9 s THR 14 N -2.60 0.00 -0.22 -0.27 -1.32 -1.11 -0.43 115.64 109.70 2wf9 s THR 14 Ca -0.12 -1.03 -0.05 0.00 -1.21 0.00 0.00 61.69 59.29 2wf9 s THR 14 Cb 0.06 -2.60 -0.01 0.00 -1.51 0.00 0.00 72.50 68.43 2wf9 s THR 14 CO 0.88 0.00 -0.02 -0.62 -2.21 0.00 0.00 174.62 172.65 2wf9 s ASP 15 N -3.03 4.52 0.00 8.08 2.15 -1.26 0.26 116.67 127.39 2wf9 s ASP 15 Ca 0.15 -0.32 0.12 0.00 0.43 0.00 0.00 52.55 52.93 2wf9 s ASP 15 Cb -0.05 -1.78 0.02 0.00 -0.30 0.00 0.00 42.92 40.81 2wf9 s ASP 15 CO 0.10 -0.00 0.76 0.41 -0.17 0.00 0.00 175.17 176.27 2wf9 n THR 16 N 4.68 0.00 -0.24 1.71 -1.04 -1.26 -4.79 114.28 113.34 2wf9 n THR 16 Ca -0.18 -0.40 -0.01 0.00 -2.04 0.00 0.00 64.05 61.42 2wf9 n THR 16 Cb 0.51 1.17 0.19 0.00 -1.82 0.00 0.00 70.33 70.39 2wf9 n THR 16 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2wf9 h ALA 17 N 2.22 1.35 -0.31 2.41 0.00 -1.99 -1.90 119.26 121.04 2wf9 h ALA 17 Ca 0.00 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 2wf9 h ALA 17 Cb 0.44 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2wf9 h ALA 17 CO 0.00 0.56 -0.29 1.49 0.00 0.00 0.00 179.25 181.01 2wf9 h GLU 18 N 1.07 0.63 -0.15 0.00 4.57 -1.99 -0.05 114.58 118.65 2wf9 h GLU 18 Ca 0.28 -0.27 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 2wf9 h GLU 18 Cb -0.03 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.53 2wf9 h GLU 18 CO -0.05 0.85 0.01 1.88 -1.18 0.00 0.00 179.01 180.52 2wf9 h TYR 19 N 0.55 0.29 -0.80 0.92 0.05 -1.79 -1.99 116.97 114.19 2wf9 h TYR 19 Ca 0.07 -0.05 0.01 0.00 0.05 0.00 0.00 58.73 58.82 2wf9 h TYR 19 Cb 0.77 -0.08 -0.04 0.00 1.01 0.00 0.00 36.73 38.39 2wf9 h TYR 19 CO 0.03 0.47 0.53 0.45 -1.05 0.00 0.00 178.16 178.59 2wf9 h HIS 20 N 0.02 0.99 0.31 4.88 3.86 -1.26 -2.22 115.15 121.73 2wf9 h HIS 20 Ca 0.04 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.27 2wf9 h HIS 20 Cb 0.35 -0.33 0.00 0.00 1.06 0.00 0.00 27.41 28.49 2wf9 h HIS 20 CO 0.03 0.61 -0.16 0.35 0.86 0.00 0.00 177.93 179.62 2wf9 h PHE 21 N 1.06 -0.42 -1.01 2.45 3.57 -0.90 -0.13 116.94 121.57 2wf9 h PHE 21 Ca 0.30 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.87 2wf9 h PHE 21 Cb -0.09 0.14 -0.07 0.00 2.79 0.00 0.00 35.95 38.73 2wf9 h PHE 21 CO -0.02 -0.26 0.65 0.00 -2.23 0.00 0.00 178.31 176.45 2wf9 h ARG 22 N -0.44 1.13 -0.18 1.11 3.08 -1.26 0.32 114.38 118.14 2wf9 h ARG 22 Ca -0.04 -0.07 -0.06 0.00 0.07 0.00 0.00 59.98 59.88 2wf9 h ARG 22 Cb 0.35 -0.25 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 2wf9 h ARG 22 CO 0.05 0.75 -0.13 0.00 -1.07 0.00 0.00 179.97 179.57 2wf9 h ALA 23 N 1.47 0.26 -0.58 0.04 0.00 -1.17 -1.47 119.26 117.81 2wf9 h ALA 23 Ca 0.44 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 2wf9 h ALA 23 Cb 0.20 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2wf9 h ALA 23 CO -0.18 0.12 -0.03 -1.49 0.00 0.00 0.00 179.25 177.66 2wf9 h TRP 24 N 0.07 1.13 -0.30 0.00 -0.00 -0.76 -1.86 115.95 114.21 2wf9 h TRP 24 Ca 0.03 -0.20 -0.01 0.00 -0.00 0.00 0.00 58.89 58.71 2wf9 h TRP 24 Cb 0.64 -0.29 -0.01 0.00 -0.00 0.00 0.00 29.16 29.49 2wf9 h TRP 24 CO 0.07 1.01 0.15 -0.22 -0.00 0.00 0.00 178.44 179.46 2wf9 h LYS 25 N 0.93 0.43 -0.77 0.49 3.64 -0.93 0.25 116.57 120.62 2wf9 h LYS 25 Ca 0.16 -0.06 0.04 0.00 -1.27 0.00 0.00 60.65 59.53 2wf9 h LYS 25 Cb 0.58 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 32.27 2wf9 h LYS 25 CO 0.03 0.39 0.48 0.00 -2.27 0.00 0.00 179.45 178.08 2wf9 h ALA 26 N 1.02 1.03 -0.11 5.00 0.00 -1.17 -0.01 119.26 125.01 2wf9 h ALA 26 Ca 0.11 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2wf9 h ALA 26 Cb 0.09 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 2wf9 h ALA 26 CO -0.01 0.24 0.04 1.25 0.00 0.00 0.00 179.25 180.76 2wf9 h LEU 27 N 0.90 0.16 -0.60 0.00 5.85 -1.03 -1.12 115.31 119.47 2wf9 h LEU 27 Ca 0.32 -0.19 0.07 0.00 0.84 0.00 0.00 57.88 58.92 2wf9 h LEU 27 Cb 0.08 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.01 2wf9 h LEU 27 CO -0.14 0.31 0.29 0.00 -0.34 0.00 0.00 178.44 178.56 2wf9 h ALA 28 N 0.86 0.78 -0.22 1.25 0.00 -0.62 -1.96 119.26 119.35 2wf9 h ALA 28 Ca 0.04 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 2wf9 h ALA 28 Cb 0.20 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2wf9 h ALA 28 CO -0.00 -0.08 -0.21 0.93 0.00 0.00 0.00 179.25 179.89 2wf9 h GLU 29 N 0.54 0.38 -0.51 0.00 5.08 -0.91 0.74 114.58 119.90 2wf9 h GLU 29 Ca 0.28 -0.13 -0.06 0.00 -1.00 0.00 0.00 59.36 58.45 2wf9 h GLU 29 Cb 0.23 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 2wf9 h GLU 29 CO -0.21 0.58 0.08 1.49 -1.00 0.00 0.00 179.01 179.95 2wf9 h GLU 30 N 0.35 0.81 -0.03 2.33 4.81 -0.48 -3.03 114.58 119.34 2wf9 h GLU 30 Ca 0.06 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 2wf9 h GLU 30 Cb 0.57 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.84 2wf9 h GLU 30 CO 0.04 0.77 -0.04 0.44 -0.73 0.00 0.00 179.01 179.48 2wf9 n ILE 31 N -4.25 0.00 -1.73 2.32 -5.35 -0.85 -4.98 119.36 104.51 2wf9 n ILE 31 Ca 0.03 -0.45 0.00 0.00 -0.27 0.00 0.00 62.75 62.06 2wf9 n ILE 31 Cb 0.26 1.36 0.00 0.00 -1.74 0.00 0.00 39.64 39.52 2wf9 n ILE 31 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wf9 n GLY 32 N 1.34 0.71 3.72 3.28 0.00 -0.34 -5.06 105.19 108.83 2wf9 n GLY 32 Ca 0.14 -0.70 -0.35 0.00 0.00 0.00 0.00 46.02 45.11 2wf9 n GLY 32 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wf9 s ILE 33 N -2.16 5.21 0.20 -0.61 1.01 0.11 -5.01 121.20 119.95 2wf9 s ILE 33 Ca 0.00 0.11 -0.07 0.00 0.00 0.00 0.00 60.65 60.70 2wf9 s ILE 33 Cb 0.00 -3.35 -0.06 0.00 0.01 0.00 0.00 42.46 39.06 2wf9 s ILE 33 CO 0.00 0.47 0.47 0.20 0.00 0.00 0.00 174.94 176.08 2wf9 s ASN 34 N 0.19 6.53 0.00 3.58 0.01 -1.26 -4.30 114.94 119.69 2wf9 s ASN 34 Ca 0.07 0.74 0.00 0.00 -0.71 0.00 0.00 52.86 52.96 2wf9 s ASN 34 Cb -0.12 -2.15 0.00 0.00 0.41 0.00 0.00 41.25 39.39 2wf9 s ASN 34 CO -0.01 -0.04 0.00 0.61 -1.51 0.00 0.00 177.10 176.15 2wf9 n GLY 35 N -0.19 1.84 3.58 0.66 0.00 -1.26 -4.70 105.19 105.11 2wf9 n GLY 35 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 2wf9 n GLY 35 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wf9 s VAL 36 N -2.03 4.08 0.49 1.61 1.01 -1.26 -4.62 120.40 119.69 2wf9 s VAL 36 Ca 0.00 -1.81 0.02 0.00 0.00 0.00 0.00 61.98 60.19 2wf9 s VAL 36 Cb 0.00 -5.16 0.02 0.00 0.00 0.00 0.00 36.38 31.24 2wf9 s VAL 36 CO 0.00 -1.97 0.18 -0.90 0.00 0.00 0.00 175.10 172.41 2wf9 n ASP 37 N 8.77 3.01 0.27 3.32 5.68 -1.26 -4.80 116.55 131.54 2wf9 n ASP 37 Ca 0.48 -2.94 0.13 0.00 -0.50 0.00 0.00 54.79 51.96 2wf9 n ASP 37 Cb 0.46 0.16 0.78 0.00 -1.14 0.00 0.00 41.12 41.39 2wf9 n ASP 37 CO 0.00 0.00 0.00 0.08 -1.33 0.00 0.00 177.20 175.95 2wf9 h ARG 38 N 0.00 0.00 -0.03 0.11 -0.00 -1.99 -0.35 114.38 112.12 2wf9 h ARG 38 Ca -0.36 0.00 -0.02 0.00 -0.00 0.00 0.00 59.98 59.60 2wf9 h ARG 38 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.17 2wf9 h ARG 38 CO 0.59 0.07 -0.06 1.96 -0.00 0.00 0.00 179.97 182.53 2wf9 h GLN 39 N 0.00 0.09 -0.63 0.08 1.08 -1.96 -3.24 115.11 110.54 2wf9 h GLN 39 Ca -0.00 -0.06 -0.02 0.00 -1.45 0.00 0.00 58.65 57.12 2wf9 h GLN 39 Cb 0.19 0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.59 2wf9 h GLN 39 CO 0.01 0.64 0.32 0.35 -0.95 0.00 0.00 178.83 179.20 2wf9 h PHE 40 N -0.45 0.87 0.00 2.96 3.57 -1.66 -2.88 116.94 119.36 2wf9 h PHE 40 Ca 0.00 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 2wf9 h PHE 40 Cb 0.64 -0.28 -0.00 0.00 2.79 0.00 0.00 35.95 39.10 2wf9 h PHE 40 CO 0.12 0.63 -0.01 -0.97 -2.23 0.00 0.00 178.31 175.85 2wf9 h ASN 41 N 0.89 0.00 -0.24 0.41 -0.00 -1.11 -1.31 115.58 114.22 2wf9 h ASN 41 Ca 0.22 0.00 -0.03 0.00 -0.00 0.00 0.00 56.30 56.49 2wf9 h ASN 41 Cb 0.07 0.00 -0.02 0.00 -0.00 0.00 0.00 38.32 38.37 2wf9 h ASN 41 CO -0.03 0.01 0.08 -0.33 -0.00 0.00 0.00 177.43 177.15 2wf9 h GLU 42 N 0.00 0.46 0.00 6.67 5.08 -1.55 -2.02 114.58 123.22 2wf9 h GLU 42 Ca -0.00 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 2wf9 h GLU 42 Cb 0.02 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 2wf9 h GLU 42 CO 0.00 0.43 -0.18 1.96 -1.00 0.00 0.00 179.01 180.22 2wf9 h GLN 43 N 0.45 0.00 -0.01 2.33 1.08 -1.39 -2.72 115.11 114.86 2wf9 h GLN 43 Ca 0.11 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.31 2wf9 h GLN 43 Cb 0.18 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.61 2wf9 h GLN 43 CO -0.00 0.18 -0.15 1.28 -0.95 0.00 0.00 178.83 179.19 2wf9 n LEU 44 N -3.77 0.73 -4.66 1.46 4.77 -0.77 -4.78 117.00 109.98 2wf9 n LEU 44 Ca -0.02 -0.13 -0.42 0.00 -0.03 0.00 0.00 56.01 55.41 2wf9 n LEU 44 Cb 0.29 -0.14 -0.03 0.00 -2.33 0.00 0.00 43.42 41.21 2wf9 n LEU 44 CO 0.33 0.13 1.46 -0.75 -1.33 0.00 0.00 177.39 177.23 2wf9 s LYS 45 N -2.43 4.10 0.00 3.23 2.20 -1.03 -1.81 119.74 124.00 2wf9 s LYS 45 Ca 0.29 2.29 0.00 0.00 -0.36 0.00 0.00 55.97 58.18 2wf9 s LYS 45 Cb 0.20 -4.06 0.00 0.00 -1.51 0.00 0.00 37.83 32.46 2wf9 s LYS 45 CO 0.47 -0.96 0.00 0.41 -0.36 0.00 0.00 175.35 174.92 2wf9 n GLY 46 N 4.36 1.32 3.84 5.54 0.00 -1.26 -5.02 105.19 113.96 2wf9 n GLY 46 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 2wf9 n GLY 46 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wf9 s VAL 47 N -3.79 4.72 0.91 1.61 1.01 -0.75 -4.89 120.40 119.21 2wf9 s VAL 47 Ca 0.00 0.98 -0.11 0.00 0.00 0.00 0.00 61.98 62.85 2wf9 s VAL 47 Cb 0.00 -3.73 0.14 0.00 0.00 0.00 0.00 36.38 32.79 2wf9 s VAL 47 CO 0.00 0.09 1.11 -0.94 0.00 0.00 0.00 175.10 175.36 2wf9 s SER 48 N -1.91 3.09 0.18 3.32 1.04 -1.26 -4.76 113.70 113.41 2wf9 s SER 48 Ca 0.45 1.92 -0.13 0.00 0.48 0.00 0.00 55.95 58.68 2wf9 s SER 48 Cb -0.14 -2.47 0.13 0.00 0.10 0.00 0.00 66.02 63.64 2wf9 s SER 48 CO 0.20 -2.95 1.82 -0.09 0.98 0.00 0.00 173.24 173.19 2wf9 h ARG 49 N -1.76 0.63 -0.16 4.02 2.43 -1.97 0.25 114.38 117.81 2wf9 h ARG 49 Ca -0.47 -0.04 -0.13 0.00 -0.81 0.00 0.00 59.98 58.53 2wf9 h ARG 49 Cb 1.27 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.68 2wf9 h ARG 49 CO 0.47 0.41 -0.42 0.93 -1.51 0.00 0.00 179.97 179.85 2wf9 h GLU 50 N 0.65 0.57 -0.32 0.20 3.07 -1.99 -1.55 114.58 115.20 2wf9 h GLU 50 Ca 0.23 -0.40 -0.06 0.00 -0.50 0.00 0.00 59.36 58.63 2wf9 h GLU 50 Cb 0.04 0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.00 2wf9 h GLU 50 CO -0.11 1.01 -0.07 -0.44 -1.40 0.00 0.00 179.01 178.01 2wf9 h ASP 51 N 0.22 0.50 -0.19 1.42 3.32 -1.91 -1.50 116.42 118.29 2wf9 h ASP 51 Ca -0.01 -0.12 -0.02 0.00 0.02 0.00 0.00 57.03 56.91 2wf9 h ASP 51 Cb 1.03 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.44 2wf9 h ASP 51 CO 0.09 0.62 0.05 0.28 -1.72 0.00 0.00 179.24 178.56 2wf9 h SER 52 N 0.50 0.28 -0.83 6.45 0.02 -0.78 -2.02 113.55 117.17 2wf9 h SER 52 Ca 0.10 -0.22 0.01 0.00 -0.84 0.00 0.00 61.79 60.83 2wf9 h SER 52 Cb 0.42 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 62.85 2wf9 h SER 52 CO 0.02 0.43 0.55 0.25 -1.14 0.00 0.00 176.83 176.94 2wf9 h LEU 53 N 0.12 0.96 -0.84 5.07 5.85 -1.07 -2.12 115.31 123.27 2wf9 h LEU 53 Ca 0.06 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 2wf9 h LEU 53 Cb 0.26 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 2wf9 h LEU 53 CO 0.00 0.70 0.51 -0.61 -0.34 0.00 0.00 178.44 178.70 2wf9 h GLN 54 N 1.13 1.15 -0.69 1.25 5.75 -1.16 -0.96 115.11 121.58 2wf9 h GLN 54 Ca 0.30 -0.10 -0.02 0.00 -0.15 0.00 0.00 58.65 58.68 2wf9 h GLN 54 Cb -0.12 -0.24 -0.03 0.00 1.07 0.00 0.00 27.48 28.15 2wf9 h GLN 54 CO -0.07 0.81 0.33 0.87 -2.65 0.00 0.00 178.83 178.12 2wf9 h LYS 55 N 1.16 0.98 -0.33 1.69 1.79 -0.97 -2.31 116.57 118.57 2wf9 h LYS 55 Ca 0.30 -0.13 -0.12 0.00 -2.18 0.00 0.00 60.65 58.52 2wf9 h LYS 55 Cb -0.05 -0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 30.42 2wf9 h LYS 55 CO -0.06 0.76 -0.28 0.82 -1.08 0.00 0.00 179.45 179.61 2wf9 h ILE 56 N 0.97 1.29 0.00 1.86 2.04 -0.76 -2.84 117.51 120.08 2wf9 h ILE 56 Ca 0.24 -1.44 -0.02 0.00 1.00 0.00 0.00 64.86 64.64 2wf9 h ILE 56 Cb 0.10 1.47 -0.00 0.00 -0.74 0.00 0.00 36.82 37.65 2wf9 h ILE 56 CO -0.03 0.47 -0.10 -0.07 0.00 0.00 0.00 178.15 178.42 2wf9 h LEU 57 N 0.55 0.00 0.00 1.44 3.38 -1.03 -2.24 115.31 117.41 2wf9 h LEU 57 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2wf9 h LEU 57 Cb 0.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.60 2wf9 h LEU 57 CO 0.07 0.10 -0.18 0.47 0.09 0.00 0.00 178.44 178.99 2wf9 n ASP 58 N -3.68 0.42 0.10 -0.43 8.00 -0.89 -1.15 116.55 118.93 2wf9 n ASP 58 Ca -0.02 0.34 -0.14 0.00 0.71 0.00 0.00 54.79 55.68 2wf9 n ASP 58 Cb 0.21 -0.36 -0.08 0.00 -0.02 0.00 0.00 41.12 40.87 2wf9 n ASP 58 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 2wf9 h LEU 59 N 0.00 -1.33 0.00 0.64 3.38 -1.21 -3.44 115.31 113.34 2wf9 h LEU 59 Ca 0.00 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2wf9 h LEU 59 Cb 0.60 0.49 0.00 0.00 0.09 0.00 0.00 40.66 41.84 2wf9 h LEU 59 CO 0.00 -0.47 0.00 0.00 0.09 0.00 0.00 178.44 178.06 2wf9 n ALA 60 N -2.85 0.00 -3.32 1.53 0.00 -1.17 -4.91 120.51 109.79 2wf9 n ALA 60 Ca -0.07 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 52.91 2wf9 n ALA 60 Cb 0.35 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.79 2wf9 n ALA 60 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2wf9 s ASP 61 N -4.00 7.20 -0.16 0.00 1.11 -1.26 -4.98 116.67 114.57 2wf9 s ASP 61 Ca 0.00 -3.38 -0.18 0.00 0.18 0.00 0.00 52.55 49.17 2wf9 s ASP 61 Cb 0.00 -2.22 -0.04 0.00 1.07 0.00 0.00 42.92 41.73 2wf9 s ASP 61 CO 0.00 -0.37 0.50 -0.75 1.18 0.00 0.00 175.17 175.73 2wf9 s LYS 62 N -0.81 4.27 -0.10 8.23 2.20 -0.30 -5.03 119.74 128.19 2wf9 s LYS 62 Ca 0.29 0.44 -0.03 0.00 -0.36 0.00 0.00 55.97 56.31 2wf9 s LYS 62 Cb -0.10 -3.50 -0.03 0.00 -1.51 0.00 0.00 37.83 32.69 2wf9 s LYS 62 CO -0.08 -0.00 0.02 0.15 -0.36 0.00 0.00 175.35 175.08 2wf9 s LYS 63 N 1.14 3.13 0.06 4.03 -0.14 -1.26 -4.71 119.74 121.99 2wf9 s LYS 63 Ca 0.25 -0.38 -0.02 0.00 -1.36 0.00 0.00 55.97 54.46 2wf9 s LYS 63 Cb -0.15 -2.87 -0.03 0.00 -1.68 0.00 0.00 37.83 33.09 2wf9 s LYS 63 CO 0.10 0.66 0.00 0.14 -0.76 0.00 0.00 175.35 175.49 2wf9 s VAL 64 N -0.75 0.21 0.77 3.17 -7.23 -1.26 -5.14 120.40 110.17 2wf9 s VAL 64 Ca 0.12 -1.71 -0.11 0.00 -1.81 0.00 0.00 61.98 58.47 2wf9 s VAL 64 Cb -0.12 -1.49 0.06 0.00 0.56 0.00 0.00 36.38 35.39 2wf9 s VAL 64 CO 0.02 -0.95 1.08 -0.94 -0.31 0.00 0.00 175.10 174.01 2wf9 s SER 65 N -2.91 4.56 0.27 4.85 1.04 -1.26 -4.82 113.70 115.43 2wf9 s SER 65 Ca 0.07 1.70 -0.02 0.00 0.48 0.00 0.00 55.95 58.18 2wf9 s SER 65 Cb 0.08 -2.44 0.42 0.00 0.10 0.00 0.00 66.02 64.17 2wf9 s SER 65 CO -0.10 -1.98 1.88 0.00 0.98 0.00 0.00 173.24 174.02 2wf9 h ALA 66 N -1.09 1.41 -0.07 5.32 0.00 -2.01 0.07 119.26 122.88 2wf9 h ALA 66 Ca -0.45 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.24 2wf9 h ALA 66 Cb 1.24 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2wf9 h ALA 66 CO 0.53 0.43 -0.80 0.93 0.00 0.00 0.00 179.25 180.35 2wf9 h GLU 67 N 1.17 0.49 -0.68 0.00 4.39 -1.99 -2.39 114.58 115.56 2wf9 h GLU 67 Ca 0.44 -0.43 -0.02 0.00 0.34 0.00 0.00 59.36 59.69 2wf9 h GLU 67 Cb 0.19 0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.90 2wf9 h GLU 67 CO -0.18 1.06 0.35 0.93 -1.16 0.00 0.00 179.01 180.01 2wf9 h GLU 68 N 0.32 0.97 -0.40 2.33 5.08 -1.81 -1.49 114.58 119.59 2wf9 h GLU 68 Ca -0.05 -0.13 0.04 0.00 -1.00 0.00 0.00 59.36 58.22 2wf9 h GLU 68 Cb 1.40 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 30.43 2wf9 h GLU 68 CO 0.14 0.76 0.16 0.35 -1.00 0.00 0.00 179.01 179.42 2wf9 h PHE 69 N 0.95 0.28 -0.65 4.33 3.57 -0.91 -0.97 116.94 123.55 2wf9 h PHE 69 Ca 0.24 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.69 2wf9 h PHE 69 Cb 0.09 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.74 2wf9 h PHE 69 CO 0.00 0.12 0.13 0.87 -2.23 0.00 0.00 178.31 177.20 2wf9 h LYS 70 N 0.33 1.04 -0.58 1.11 1.57 -1.24 -2.18 116.57 116.62 2wf9 h LYS 70 Ca 0.18 -0.26 -0.07 0.00 -1.87 0.00 0.00 60.65 58.63 2wf9 h LYS 70 Cb 0.14 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 2wf9 h LYS 70 CO -0.17 0.94 0.08 1.49 -0.57 0.00 0.00 179.45 181.22 2wf9 h GLU 71 N 0.98 0.97 -0.35 3.15 4.57 -0.92 -1.37 114.58 121.62 2wf9 h GLU 71 Ca 0.20 -0.27 -0.02 0.00 -1.18 0.00 0.00 59.36 58.09 2wf9 h GLU 71 Cb 0.39 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.86 2wf9 h GLU 71 CO 0.01 0.93 0.15 -0.07 -1.18 0.00 0.00 179.01 178.85 2wf9 h LEU 72 N 0.87 0.47 -0.79 1.64 3.38 -1.01 -0.22 115.31 119.65 2wf9 h LEU 72 Ca 0.17 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2wf9 h LEU 72 Cb 0.44 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 2wf9 h LEU 72 CO 0.01 0.49 0.50 0.00 0.09 0.00 0.00 178.44 179.54 2wf9 h ALA 73 N 1.00 1.00 -0.54 1.53 0.00 -1.31 -1.99 119.26 118.95 2wf9 h ALA 73 Ca 0.12 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2wf9 h ALA 73 Cb 0.16 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2wf9 h ALA 73 CO -0.01 0.44 0.26 -0.22 0.00 0.00 0.00 179.25 179.71 2wf9 h LYS 74 N 1.07 0.77 0.02 0.00 3.64 -0.97 -1.12 116.57 119.99 2wf9 h LYS 74 Ca 0.29 -0.11 0.02 0.00 -1.27 0.00 0.00 60.65 59.57 2wf9 h LYS 74 Cb -0.09 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.57 2wf9 h LYS 74 CO -0.06 0.64 -0.13 0.00 -2.27 0.00 0.00 179.45 177.63 2wf9 h ARG 75 N 0.72 -0.22 -0.46 1.90 3.08 -0.74 0.10 114.38 118.77 2wf9 h ARG 75 Ca 0.18 0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.25 2wf9 h ARG 75 Cb 0.12 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 2wf9 h ARG 75 CO -0.02 -0.15 0.28 -0.22 -1.07 0.00 0.00 179.97 178.79 2wf9 h LYS 76 N -0.23 0.62 -0.82 0.04 3.11 -1.27 -2.37 116.57 115.66 2wf9 h LYS 76 Ca 0.04 -0.06 -0.03 0.00 -2.81 0.00 0.00 60.65 57.79 2wf9 h LYS 76 Cb 0.27 -0.13 -0.04 0.00 -1.00 0.00 0.00 32.23 31.33 2wf9 h LYS 76 CO -0.11 0.46 0.40 -0.97 -2.81 0.00 0.00 179.45 176.41 2wf9 h ASN 77 N 0.61 1.08 -0.96 4.20 -1.24 -0.96 -0.19 115.58 118.11 2wf9 h ASN 77 Ca 0.16 -0.13 0.02 0.00 0.71 0.00 0.00 56.30 57.06 2wf9 h ASN 77 Cb -0.01 -0.28 -0.05 0.00 0.73 0.00 0.00 38.32 38.72 2wf9 h ASN 77 CO -0.03 0.91 0.64 0.44 -1.29 0.00 0.00 177.43 178.10 2wf9 h ASP 78 N 1.17 1.09 -0.25 1.15 3.32 -0.73 0.10 116.42 122.27 2wf9 h ASP 78 Ca 0.28 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.25 2wf9 h ASP 78 Cb 0.12 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 2wf9 h ASP 78 CO -0.04 0.78 -0.07 -1.13 -1.72 0.00 0.00 179.24 177.07 2wf9 h ASN 79 N 1.29 0.50 -0.50 6.45 -1.24 -1.02 -2.65 115.58 118.41 2wf9 h ASN 79 Ca 0.36 -0.37 0.05 0.00 0.71 0.00 0.00 56.30 57.05 2wf9 h ASN 79 Cb -0.12 -0.14 -0.05 0.00 0.73 0.00 0.00 38.32 38.74 2wf9 h ASN 79 CO -0.09 0.76 0.22 0.22 -1.29 0.00 0.00 177.43 177.25 2wf9 h TYR 80 N 0.23 0.41 -0.76 0.67 3.20 -0.53 -2.38 116.97 117.81 2wf9 h TYR 80 Ca 0.06 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.92 2wf9 h TYR 80 Cb 0.54 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.67 2wf9 h TYR 80 CO 0.05 0.18 0.32 0.28 -1.64 0.00 0.00 178.16 177.35 2wf9 h VAL 81 N 0.44 1.25 -0.95 1.81 2.07 -0.79 -1.47 116.25 118.61 2wf9 h VAL 81 Ca 0.23 -0.75 0.02 0.00 0.82 0.00 0.00 66.70 67.02 2wf9 h VAL 81 Cb 0.18 0.32 -0.05 0.00 -1.52 0.00 0.00 31.29 30.22 2wf9 h VAL 81 CO -0.19 0.31 0.62 0.11 0.02 0.00 0.00 177.57 178.44 2wf9 h LYS 82 N 1.09 1.20 -0.35 1.57 1.57 -1.09 -3.05 116.57 117.51 2wf9 h LYS 82 Ca 0.26 -0.07 -0.14 0.00 -1.87 0.00 0.00 60.65 58.82 2wf9 h LYS 82 Cb 0.17 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 2wf9 h LYS 82 CO -0.03 0.79 -0.36 0.52 -0.57 0.00 0.00 179.45 179.81 2wf9 h MET 83 N 1.23 0.80 -0.02 3.15 2.86 -0.84 -3.11 114.93 119.00 2wf9 h MET 83 Ca 0.37 -0.39 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2wf9 h MET 83 Cb -0.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.60 2wf9 h MET 83 CO -0.10 1.02 0.00 0.44 1.06 0.00 0.00 176.91 179.33 2wf9 n ILE 84 N -4.06 0.03 0.29 -1.22 -5.35 -0.64 -3.80 119.36 104.61 2wf9 n ILE 84 Ca -0.01 -0.05 0.14 0.00 -0.27 0.00 0.00 62.75 62.56 2wf9 n ILE 84 Cb 0.51 -0.19 0.88 0.00 -1.74 0.00 0.00 39.64 39.10 2wf9 n ILE 84 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 2wf9 h GLN 85 N 0.34 0.00 -0.70 6.28 1.08 -1.52 -2.34 115.11 118.25 2wf9 h GLN 85 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2wf9 h GLN 85 Cb 0.07 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.50 2wf9 h GLN 85 CO 0.00 0.02 0.00 -0.40 -0.95 0.00 0.00 178.83 177.50 2wf9 n ASP 86 N -3.84 3.90 -4.75 1.46 3.85 -1.25 -4.93 116.55 110.99 2wf9 n ASP 86 Ca -0.03 -2.00 -0.41 0.00 -0.71 0.00 0.00 54.79 51.64 2wf9 n ASP 86 Cb 0.11 -0.47 0.00 0.00 -1.35 0.00 0.00 41.12 39.42 2wf9 n ASP 86 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.20 176.71 2wf9 n VAL 87 N 1.65 2.25 -4.15 2.12 0.31 -0.88 -5.00 118.33 114.62 2wf9 n VAL 87 Ca 0.24 -0.50 -0.13 0.00 -0.01 0.00 0.00 64.34 63.94 2wf9 n VAL 87 Cb 0.62 -1.82 -0.08 0.00 -0.91 0.00 0.00 33.84 31.65 2wf9 n VAL 87 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2wf9 s SER 88 N -0.29 0.49 0.63 4.52 1.04 -1.26 -4.65 113.70 114.18 2wf9 s SER 88 Ca 0.56 -1.37 0.36 0.00 0.48 0.00 0.00 55.95 55.98 2wf9 s SER 88 Cb -0.49 0.50 2.03 0.00 0.10 0.00 0.00 66.02 68.16 2wf9 s SER 88 CO 0.61 -1.02 2.25 -0.65 0.98 0.00 0.00 173.24 175.42 2wf9 h PRO 89 N 2.38 0.00 0.00 4.02 0.11 -1.74 -1.12 132.00 135.65 2wf9 h PRO 89 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 2wf9 h PRO 89 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2wf9 h PRO 89 CO 0.44 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.23 2wf9 h ALA 90 N 1.90 1.00 -0.01 -0.75 0.00 -1.93 -2.57 119.26 116.91 2wf9 h ALA 90 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2wf9 h ALA 90 Cb 0.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2wf9 h ALA 90 CO -0.00 0.00 -0.19 -0.25 0.00 0.00 0.00 179.25 178.81 2wf9 n ASP 91 N -2.33 1.08 -4.73 0.00 8.00 -0.42 -4.87 116.55 113.28 2wf9 n ASP 91 Ca 0.01 -0.99 -0.42 0.00 0.71 0.00 0.00 54.79 54.09 2wf9 n ASP 91 Cb 0.17 0.09 -0.03 0.00 -0.02 0.00 0.00 41.12 41.33 2wf9 n ASP 91 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2wf9 s VAL 92 N -2.39 2.72 0.73 2.53 1.01 -0.97 -4.55 120.40 119.48 2wf9 s VAL 92 Ca 0.28 0.54 -0.14 0.00 0.00 0.00 0.00 61.98 62.65 2wf9 s VAL 92 Cb 0.20 -3.34 0.04 0.00 0.00 0.00 0.00 36.38 33.27 2wf9 s VAL 92 CO 0.48 0.05 1.17 -0.31 0.00 0.00 0.00 175.10 176.49 2wf9 s TYR 93 N 0.81 2.17 0.22 5.22 1.51 0.43 -4.91 117.35 122.80 2wf9 s TYR 93 Ca 0.66 1.61 -0.32 0.00 -1.01 0.00 0.00 57.07 58.01 2wf9 s TYR 93 Cb -0.42 -3.37 -0.14 0.00 -0.11 0.00 0.00 41.96 37.92 2wf9 s TYR 93 CO 0.34 -2.37 1.44 -2.30 -1.11 0.00 0.00 175.55 171.55 2wf9 n PRO 94 N -2.83 2.04 0.00 -1.71 -0.02 -1.26 -2.30 135.00 128.92 2wf9 n PRO 94 Ca 0.12 0.73 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 2wf9 n PRO 94 Cb 0.51 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 2wf9 n PRO 94 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wf9 n GLY 95 N 2.41 2.94 0.21 -1.23 0.00 -1.26 -2.98 105.19 105.28 2wf9 n GLY 95 Ca 0.13 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.00 2wf9 n GLY 95 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2wf9 h ILE 96 N 0.00 1.31 -0.44 -0.61 1.08 -1.71 -1.83 117.51 115.31 2wf9 h ILE 96 Ca 0.00 -1.64 -0.01 0.00 -0.39 0.00 0.00 64.86 62.83 2wf9 h ILE 96 Cb 0.00 1.78 -0.02 0.00 -3.07 0.00 0.00 36.82 35.51 2wf9 h ILE 96 CO 0.00 0.52 0.24 0.25 -0.69 0.00 0.00 178.15 178.47 2wf9 h LEU 97 N 0.41 0.54 -0.87 1.44 5.85 -1.90 -0.67 115.31 120.10 2wf9 h LEU 97 Ca 0.01 -0.08 -0.10 0.00 0.84 0.00 0.00 57.88 58.55 2wf9 h LEU 97 Cb 1.03 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 2wf9 h LEU 97 CO 0.10 0.47 -0.19 -0.61 -0.34 0.00 0.00 178.44 177.87 2wf9 h GLN 98 N 0.57 0.63 -0.17 1.25 5.75 -1.94 -1.29 115.11 119.91 2wf9 h GLN 98 Ca 0.15 -0.22 0.00 0.00 -0.15 0.00 0.00 58.65 58.43 2wf9 h GLN 98 Cb 0.04 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.54 2wf9 h GLN 98 CO -0.03 0.78 0.11 1.25 -2.65 0.00 0.00 178.83 178.30 2wf9 h LEU 99 N 0.56 0.20 -0.67 -2.39 5.85 -0.98 -0.16 115.31 117.72 2wf9 h LEU 99 Ca 0.09 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.83 2wf9 h LEU 99 Cb 0.63 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.57 2wf9 h LEU 99 CO 0.04 0.15 0.41 -0.07 -0.34 0.00 0.00 178.44 178.63 2wf9 h LEU 100 N 0.23 0.67 -0.49 2.25 3.38 -0.85 0.38 115.31 120.88 2wf9 h LEU 100 Ca 0.06 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 2wf9 h LEU 100 Cb -0.02 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 2wf9 h LEU 100 CO -0.01 0.46 0.30 0.11 0.09 0.00 0.00 178.44 179.38 2wf9 h LYS 101 N 0.80 0.66 -0.45 1.13 1.57 -0.96 -1.49 116.57 117.83 2wf9 h LYS 101 Ca 0.27 -0.06 -0.14 0.00 -1.87 0.00 0.00 60.65 58.86 2wf9 h LYS 101 Cb 0.04 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 2wf9 h LYS 101 CO -0.12 0.47 -0.27 -0.44 -0.57 0.00 0.00 179.45 178.53 2wf9 h ASP 102 N 0.65 1.01 -0.29 0.86 3.32 -0.55 -0.64 116.42 120.78 2wf9 h ASP 102 Ca 0.18 -0.42 0.01 0.00 0.02 0.00 0.00 57.03 56.81 2wf9 h ASP 102 Cb -0.02 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.23 2wf9 h ASP 102 CO -0.03 1.21 0.18 -0.07 -1.72 0.00 0.00 179.24 178.81 2wf9 h LEU 103 N 0.81 0.30 -0.40 1.55 3.38 -0.85 -2.22 115.31 117.89 2wf9 h LEU 103 Ca 0.09 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 2wf9 h LEU 103 Cb 0.86 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 2wf9 h LEU 103 CO 0.08 0.22 0.21 -0.09 0.09 0.00 0.00 178.44 178.95 2wf9 h ARG 104 N 0.37 0.56 -0.40 1.13 2.43 -1.11 -0.66 114.38 116.70 2wf9 h ARG 104 Ca 0.11 -0.07 0.01 0.00 -0.81 0.00 0.00 59.98 59.22 2wf9 h ARG 104 Cb -0.02 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.40 2wf9 h ARG 104 CO -0.04 0.47 0.26 0.77 -1.51 0.00 0.00 179.97 179.92 2wf9 h SER 105 N 0.51 0.44 -0.47 -3.80 0.02 -1.00 -1.26 113.55 107.99 2wf9 h SER 105 Ca 0.14 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 2wf9 h SER 105 Cb 0.08 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.51 2wf9 h SER 105 CO -0.02 0.32 0.00 0.59 -1.14 0.00 0.00 176.83 176.58 2wf9 n ASN 106 N -4.48 2.78 -3.07 3.07 4.13 -0.85 -4.94 115.26 111.91 2wf9 n ASN 106 Ca 0.03 -2.08 -0.23 0.00 1.68 0.00 0.00 54.58 53.99 2wf9 n ASN 106 Cb 0.08 -0.36 0.03 0.00 -1.54 0.00 0.00 39.78 37.98 2wf9 n ASN 106 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 2wf9 n LYS 107 N 0.85 -4.73 -3.40 3.52 5.02 -0.47 -4.99 118.16 113.95 2wf9 n LYS 107 Ca 0.16 0.86 -0.37 0.00 -2.02 0.00 0.00 58.31 56.94 2wf9 n LYS 107 Cb 0.47 -5.70 -0.06 0.00 -0.02 0.00 0.00 35.03 29.71 2wf9 n LYS 107 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2wf9 s ILE 108 N -3.15 5.21 0.51 -0.18 1.01 -0.31 -5.01 121.20 119.28 2wf9 s ILE 108 Ca 0.32 0.81 -0.21 0.00 0.00 0.00 0.00 60.65 61.56 2wf9 s ILE 108 Cb -0.14 -3.75 -0.06 0.00 0.01 0.00 0.00 42.46 38.52 2wf9 s ILE 108 CO 0.39 0.37 1.18 -0.54 0.00 0.00 0.00 174.94 176.34 2wf9 s LYS 109 N 0.44 3.50 -0.12 2.79 -0.14 -0.31 -4.30 119.74 121.59 2wf9 s LYS 109 Ca 0.23 1.77 -0.00 0.00 -1.36 0.00 0.00 55.97 56.61 2wf9 s LYS 109 Cb -0.15 -2.22 0.02 0.00 -1.68 0.00 0.00 37.83 33.81 2wf9 s LYS 109 CO 0.08 -0.77 -0.10 0.42 -0.76 0.00 0.00 175.35 174.22 2wf9 s ILE 110 N -1.59 1.23 0.05 2.17 1.01 -1.26 -0.77 121.20 122.03 2wf9 s ILE 110 Ca 0.69 -0.42 0.04 0.00 0.00 0.00 0.00 60.65 60.96 2wf9 s ILE 110 Cb -0.28 -1.20 -0.02 0.00 0.01 0.00 0.00 42.46 40.96 2wf9 s ILE 110 CO 0.33 0.40 -0.13 0.00 0.00 0.00 0.00 174.94 175.55 2wf9 s ALA 111 N 1.59 1.06 -0.14 9.38 0.00 -0.77 -0.58 121.76 132.29 2wf9 s ALA 111 Ca 0.04 -0.87 -0.14 0.00 0.00 0.00 0.00 51.96 50.99 2wf9 s ALA 111 Cb -0.13 -0.11 -0.05 0.00 0.00 0.00 0.00 23.12 22.84 2wf9 s ALA 111 CO -0.09 0.16 0.31 -1.17 0.00 0.00 0.00 175.76 174.97 2wf9 s LEU 112 N -1.42 4.27 -0.49 0.00 2.96 -0.69 -0.52 118.68 122.79 2wf9 s LEU 112 Ca -0.02 0.56 0.08 0.00 -0.22 0.00 0.00 54.13 54.53 2wf9 s LEU 112 Cb -0.09 -2.40 0.35 0.00 0.50 0.00 0.00 46.19 44.55 2wf9 s LEU 112 CO 0.02 0.12 0.88 0.00 -1.32 0.00 0.00 176.35 176.04 2wf9 n ALA 113 N 3.39 3.70 -2.90 5.97 0.00 0.82 -1.17 120.51 130.32 2wf9 n ALA 113 Ca -0.12 -4.17 -0.32 0.00 0.00 0.00 0.00 53.44 48.83 2wf9 n ALA 113 Cb 0.52 -0.80 -0.04 0.00 0.00 0.00 0.00 19.45 19.13 2wf9 n ALA 113 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2wf9 s SER 114 N -3.09 6.38 0.30 0.00 0.15 -1.26 -4.32 113.70 111.85 2wf9 s SER 114 Ca 0.45 0.32 0.26 0.00 0.70 0.00 0.00 55.95 57.68 2wf9 s SER 114 Cb 0.32 -1.99 0.97 0.00 -1.71 0.00 0.00 66.02 63.61 2wf9 s SER 114 CO -0.12 0.20 1.76 0.00 1.20 0.00 0.00 173.24 176.29 2wf9 h ALA 115 N 3.36 1.00 -2.23 5.45 0.00 -1.95 -3.40 119.26 121.49 2wf9 h ALA 115 Ca -0.47 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 53.88 2wf9 h ALA 115 Cb 1.17 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 2wf9 h ALA 115 CO 0.73 0.00 0.77 0.45 0.00 0.00 0.00 179.25 181.20 2wf9 s SER 116 N -4.62 7.03 0.00 0.00 0.15 -1.26 -4.83 113.70 110.17 2wf9 s SER 116 Ca 0.05 1.71 0.21 0.00 0.70 0.00 0.00 55.95 58.62 2wf9 s SER 116 Cb 0.10 -2.55 0.91 0.00 -1.71 0.00 0.00 66.02 62.77 2wf9 s SER 116 CO 0.47 -0.64 1.66 0.29 1.20 0.00 0.00 173.24 176.22 2wf9 n LYS 117 N 5.78 0.06 -0.26 5.44 5.02 -1.26 -2.50 118.16 130.44 2wf9 n LYS 117 Ca 0.12 0.14 0.08 0.00 -2.02 0.00 0.00 58.31 56.63 2wf9 n LYS 117 Cb 0.46 -1.50 0.23 0.00 -0.02 0.00 0.00 35.03 34.20 2wf9 n LYS 117 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2wf9 n ASN 118 N -1.46 2.72 -0.01 4.39 4.13 -1.26 -4.61 115.26 119.16 2wf9 n ASN 118 Ca 0.06 -2.00 -0.09 0.00 1.68 0.00 0.00 54.58 54.23 2wf9 n ASN 118 Cb 0.23 -0.34 -0.03 0.00 -1.54 0.00 0.00 39.78 38.10 2wf9 n ASN 118 CO 0.00 0.00 0.00 1.23 0.28 0.00 0.00 177.26 178.77 2wf9 h GLY 119 N 4.89 0.01 0.65 7.41 0.00 -1.90 -1.84 103.07 112.29 2wf9 h GLY 119 Ca 0.00 0.13 0.06 0.00 0.00 0.00 0.00 47.33 47.52 2wf9 h GLY 119 CO 0.00 -0.12 0.34 -2.55 0.00 0.00 0.00 176.54 174.21 2wf9 h PRO 120 N -0.11 0.60 -0.65 4.80 0.11 -1.86 -0.74 132.00 134.16 2wf9 h PRO 120 Ca 0.09 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.10 2wf9 h PRO 120 Cb 0.24 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 31.19 2wf9 h PRO 120 CO -0.21 0.40 0.16 0.35 -0.21 0.00 0.00 178.00 178.48 2wf9 h PHE 121 N 0.62 1.09 -0.67 0.65 3.57 -1.86 -1.90 116.94 118.45 2wf9 h PHE 121 Ca 0.29 -0.13 -0.04 0.00 3.53 0.00 0.00 57.97 61.62 2wf9 h PHE 121 Cb 0.20 -0.31 -0.03 0.00 2.79 0.00 0.00 35.95 38.60 2wf9 h PHE 121 CO -0.09 0.90 0.27 -0.07 -2.23 0.00 0.00 178.31 177.09 2wf9 h LEU 122 N 0.96 0.92 -1.15 0.59 3.38 -0.85 0.06 115.31 119.22 2wf9 h LEU 122 Ca 0.20 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 2wf9 h LEU 122 Cb 0.36 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 2wf9 h LEU 122 CO 0.00 0.84 0.32 -0.07 0.09 0.00 0.00 178.44 179.62 2wf9 h LEU 123 N 0.94 0.82 -0.37 1.67 3.38 -0.96 -1.80 115.31 119.00 2wf9 h LEU 123 Ca 0.22 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 2wf9 h LEU 123 Cb 0.20 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2wf9 h LEU 123 CO -0.02 0.69 0.00 -0.08 0.09 0.00 0.00 178.44 179.12 2wf9 h GLU 124 N 0.91 0.65 -0.83 1.13 4.81 -0.75 0.12 114.58 120.62 2wf9 h GLU 124 Ca 0.23 -0.20 0.08 0.00 -0.13 0.00 0.00 59.36 59.34 2wf9 h GLU 124 Cb 0.08 -0.06 -0.06 0.00 0.63 0.00 0.00 28.75 29.35 2wf9 h GLU 124 CO -0.03 0.75 0.54 0.00 -0.73 0.00 0.00 179.01 179.54 2wf9 h ARG 125 N 0.46 0.81 -0.15 1.92 2.47 -0.65 -1.63 114.38 117.62 2wf9 h ARG 125 Ca 0.10 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.78 2wf9 h ARG 125 Cb 0.46 -0.18 0.00 0.00 -1.65 0.00 0.00 29.97 28.60 2wf9 h ARG 125 CO 0.02 0.54 0.00 -1.33 0.56 0.00 0.00 179.97 179.76 2wf9 n MET 126 N -4.51 1.69 -3.66 0.04 2.81 -0.71 -3.38 117.12 109.40 2wf9 n MET 126 Ca 0.13 -1.03 -0.25 0.00 -1.81 0.00 0.00 57.70 54.74 2wf9 n MET 126 Cb 0.28 -1.39 0.07 0.00 -0.71 0.00 0.00 33.22 31.47 2wf9 n MET 126 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 2wf9 n ASN 127 N 0.26 -5.93 -0.27 7.83 5.15 -0.61 -4.31 115.26 117.38 2wf9 n ASN 127 Ca 0.16 -0.59 0.05 0.00 -0.60 0.00 0.00 54.58 53.60 2wf9 n ASN 127 Cb 0.32 -4.81 0.01 0.00 -0.53 0.00 0.00 39.78 34.77 2wf9 n ASN 127 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2wf9 n LEU 128 N -4.92 1.37 -0.27 1.20 4.77 0.36 -4.76 117.00 114.76 2wf9 n LEU 128 Ca 0.01 -0.82 0.08 0.00 -0.03 0.00 0.00 56.01 55.25 2wf9 n LEU 128 Cb 0.56 0.00 0.22 0.00 -2.33 0.00 0.00 43.42 41.87 2wf9 n LEU 128 CO 0.67 0.27 0.98 0.74 -1.33 0.00 0.00 177.39 178.73 2wf9 h THR 129 N 1.35 0.53 0.00 -5.08 2.02 -1.88 -1.44 112.91 108.41 2wf9 h THR 129 Ca 0.00 -0.12 -0.02 0.00 0.77 0.00 0.00 66.41 67.04 2wf9 h THR 129 Cb 0.37 0.15 -0.00 0.00 -1.74 0.00 0.00 68.15 66.92 2wf9 h THR 129 CO 0.00 0.06 -0.10 1.23 0.37 0.00 0.00 175.52 177.09 2wf9 h GLY 130 N 0.35 0.00 2.00 2.16 0.00 -1.93 -2.66 103.07 102.99 2wf9 h GLY 130 Ca 0.46 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.71 2wf9 h GLY 130 CO -0.50 0.00 -0.41 -0.97 0.00 0.00 0.00 176.54 174.66 2wf9 h TYR 131 N 0.00 0.00 -3.50 5.60 0.05 -1.62 -3.44 116.97 114.06 2wf9 h TYR 131 Ca -0.00 0.00 -0.61 0.00 0.05 0.00 0.00 58.73 58.17 2wf9 h TYR 131 Cb 0.31 0.00 -0.12 0.00 1.01 0.00 0.00 36.73 37.94 2wf9 h TYR 131 CO 0.00 0.41 0.23 -0.06 -1.05 0.00 0.00 178.16 177.70 2wf9 s PHE 132 N -3.27 3.21 0.31 4.88 0.08 -1.00 -4.62 117.98 117.57 2wf9 s PHE 132 Ca 0.02 0.66 0.14 0.00 0.12 0.00 0.00 56.93 57.87 2wf9 s PHE 132 Cb 0.09 -3.07 0.65 0.00 -0.57 0.00 0.00 43.02 40.12 2wf9 s PHE 132 CO 0.71 -0.51 1.76 -0.44 -0.10 0.00 0.00 175.22 176.64 2wf9 h ASP 133 N 8.16 0.00 -4.85 1.36 3.32 -1.15 -3.46 116.42 119.80 2wf9 h ASP 133 Ca -0.26 0.00 0.03 0.00 0.02 0.00 0.00 57.03 56.83 2wf9 h ASP 133 Cb 1.11 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.53 2wf9 h ASP 133 CO 0.83 0.43 0.33 0.00 -1.72 0.00 0.00 179.24 179.11 2wf9 s ALA 134 N -3.92 -1.69 -0.15 3.45 0.00 -1.19 -4.93 121.76 113.34 2wf9 s ALA 134 Ca -0.02 0.71 0.00 0.00 0.00 0.00 0.00 51.96 52.65 2wf9 s ALA 134 Cb 0.13 0.69 0.03 0.00 0.00 0.00 0.00 23.12 23.97 2wf9 s ALA 134 CO 0.72 -0.73 -0.10 0.42 0.00 0.00 0.00 175.76 176.07 2wf9 s ILE 135 N -3.48 1.35 0.13 0.00 1.01 -1.26 -1.70 121.20 117.25 2wf9 s ILE 135 Ca 0.03 -0.61 -0.31 0.00 0.00 0.00 0.00 60.65 59.76 2wf9 s ILE 135 Cb -0.01 -1.37 -0.08 0.00 0.01 0.00 0.00 42.46 41.02 2wf9 s ILE 135 CO -0.11 0.32 1.31 0.00 0.00 0.00 0.00 174.94 176.46 2wf9 s ALA 136 N 1.56 3.52 -0.42 9.38 0.00 -0.32 -4.94 121.76 130.53 2wf9 s ALA 136 Ca 0.03 1.04 -0.23 0.00 0.00 0.00 0.00 51.96 52.80 2wf9 s ALA 136 Cb -0.14 -3.49 0.02 0.00 0.00 0.00 0.00 23.12 19.51 2wf9 s ALA 136 CO -0.09 -0.53 0.80 0.34 0.00 0.00 0.00 175.76 176.27 2wf9 s ASP 137 N 0.81 6.47 0.36 0.00 -1.08 -1.26 -4.67 116.67 117.29 2wf9 s ASP 137 Ca 0.60 0.08 0.13 0.00 -0.52 0.00 0.00 52.55 52.84 2wf9 s ASP 137 Cb -0.35 -2.40 0.97 0.00 -1.46 0.00 0.00 42.92 39.69 2wf9 s ASP 137 CO 0.33 -0.86 1.76 -0.65 0.52 0.00 0.00 175.17 176.26 2wf9 h PRO 138 N 8.81 0.50 0.00 4.34 0.11 -1.87 -1.19 132.00 142.70 2wf9 h PRO 138 Ca -0.25 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2wf9 h PRO 138 Cb 1.09 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.08 2wf9 h PRO 138 CO 0.95 0.33 0.00 0.00 -0.21 0.00 0.00 178.00 179.07 2wf9 h ALA 139 N 1.66 1.00 -0.27 -0.75 0.00 -1.92 -2.80 119.26 116.18 2wf9 h ALA 139 Ca 0.60 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.51 2wf9 h ALA 139 Cb 1.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2wf9 h ALA 139 CO -0.37 0.00 0.00 0.39 0.00 0.00 0.00 179.25 179.27 2wf9 n GLU 140 N -2.44 2.96 -4.28 0.00 1.02 -0.46 -4.88 120.64 112.56 2wf9 n GLU 140 Ca 0.02 -2.78 -0.17 0.00 -0.02 0.00 0.00 57.16 54.20 2wf9 n GLU 140 Cb 0.24 -1.80 -0.14 0.00 -0.02 0.00 0.00 31.44 29.71 2wf9 n GLU 140 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2wf9 s VAL 141 N -2.66 0.60 0.00 2.62 -7.23 -1.06 -4.98 120.40 107.69 2wf9 s VAL 141 Ca 0.41 -0.36 0.00 0.00 -1.81 0.00 0.00 61.98 60.22 2wf9 s VAL 141 Cb 0.32 -0.51 0.00 0.00 0.56 0.00 0.00 36.38 36.75 2wf9 s VAL 141 CO 0.10 0.15 0.00 0.00 -0.31 0.00 0.00 175.10 175.03 2wf9 n ALA 142 N 2.83 0.00 -3.02 1.32 0.00 -1.26 -4.78 120.51 115.60 2wf9 n ALA 142 Ca -0.14 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.28 2wf9 n ALA 142 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 2wf9 n ALA 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wf9 n ALA 143 N -0.63 -2.59 -1.57 0.00 0.00 -1.26 -5.18 120.51 109.28 2wf9 n ALA 143 Ca 0.00 0.23 -0.29 0.00 0.00 0.00 0.00 53.44 53.38 2wf9 n ALA 143 Cb 0.00 -0.87 0.11 0.00 0.00 0.00 0.00 19.45 18.69 2wf9 n ALA 143 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2wf9 s SER 144 N -1.30 4.11 0.36 0.00 0.01 -1.26 -4.67 113.70 110.94 2wf9 s SER 144 Ca 0.03 1.14 -0.28 0.00 1.31 0.00 0.00 55.95 58.15 2wf9 s SER 144 Cb -0.00 -1.80 -0.12 0.00 0.21 0.00 0.00 66.02 64.31 2wf9 s SER 144 CO 0.35 -2.19 1.33 0.29 0.41 0.00 0.00 173.24 173.43 2wf9 n LYS 145 N -3.55 2.21 -0.02 12.44 5.02 -1.26 -1.10 118.16 131.88 2wf9 n LYS 145 Ca 0.07 0.78 0.08 0.00 -2.02 0.00 0.00 58.31 57.22 2wf9 n LYS 145 Cb 0.58 -2.40 0.44 0.00 -0.02 0.00 0.00 35.03 33.62 2wf9 n LYS 145 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 2wf9 n PRO 146 N 0.45 1.20 -1.77 1.97 -0.04 -1.26 -4.92 135.00 130.63 2wf9 n PRO 146 Ca 0.04 -0.30 -0.41 0.00 -0.04 0.00 0.00 63.50 62.79 2wf9 n PRO 146 Cb 0.37 -1.28 -0.00 0.00 -0.04 0.00 0.00 33.50 32.55 2wf9 n PRO 146 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wf9 n ALA 147 N -0.46 2.34 1.04 0.55 0.00 -0.26 -3.16 120.51 120.56 2wf9 n ALA 147 Ca 0.13 0.34 0.12 0.00 0.00 0.00 0.00 53.44 54.03 2wf9 n ALA 147 Cb 0.13 -2.41 0.58 0.00 0.00 0.00 0.00 19.45 17.74 2wf9 n ALA 147 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2wf9 n PRO 148 N 0.54 0.24 -0.26 0.00 -0.04 -1.26 -4.39 135.00 129.84 2wf9 n PRO 148 Ca 0.02 0.07 0.06 0.00 -0.04 0.00 0.00 63.50 63.61 2wf9 n PRO 148 Cb 0.39 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.54 2wf9 n PRO 148 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2wf9 h ASP 149 N 0.00 0.01 -0.18 3.54 5.19 -1.89 -0.91 116.42 122.18 2wf9 h ASP 149 Ca 0.00 0.15 -0.09 0.00 -0.62 0.00 0.00 57.03 56.47 2wf9 h ASP 149 Cb 0.28 0.20 -0.02 0.00 0.18 0.00 0.00 39.33 39.98 2wf9 h ASP 149 CO 0.00 -0.05 -0.17 -0.29 -3.12 0.00 0.00 179.24 175.61 2wf9 h ILE 150 N 0.27 1.25 -0.08 0.35 6.09 -1.83 0.37 117.51 123.93 2wf9 h ILE 150 Ca 0.43 -1.18 -0.21 0.00 -1.37 0.00 0.00 64.86 62.53 2wf9 h ILE 150 Cb 0.75 1.19 0.00 0.00 0.47 0.00 0.00 36.82 39.24 2wf9 h ILE 150 CO -0.53 0.39 -0.82 -0.26 -3.07 0.00 0.00 178.15 173.87 2wf9 h PHE 151 N 0.54 0.78 -0.42 2.19 0.04 -1.53 -1.29 116.94 117.26 2wf9 h PHE 151 Ca 0.09 -0.37 -0.01 0.00 2.80 0.00 0.00 57.97 60.48 2wf9 h PHE 151 Cb 0.61 -0.11 -0.02 0.00 2.20 0.00 0.00 35.95 38.62 2wf9 h PHE 151 CO 0.02 1.17 0.22 0.82 -0.60 0.00 0.00 178.31 179.95 2wf9 h ILE 152 N 0.37 1.16 -0.68 -0.55 2.04 -1.01 -1.41 117.51 117.44 2wf9 h ILE 152 Ca -0.06 -0.43 -0.01 0.00 1.00 0.00 0.00 64.86 65.37 2wf9 h ILE 152 Cb 1.43 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 38.15 2wf9 h ILE 152 CO 0.15 0.17 0.39 0.00 0.00 0.00 0.00 178.15 178.86 2wf9 h ALA 153 N 1.07 0.87 -0.45 1.87 0.00 -0.88 -0.91 119.26 120.83 2wf9 h ALA 153 Ca 0.15 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2wf9 h ALA 153 Cb 0.07 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2wf9 h ALA 153 CO -0.02 0.36 0.20 0.00 0.00 0.00 0.00 179.25 179.79 2wf9 h ALA 154 N 1.20 0.58 0.09 0.00 0.00 -1.01 0.16 119.26 120.28 2wf9 h ALA 154 Ca 0.24 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2wf9 h ALA 154 Cb 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.62 2wf9 h ALA 154 CO -0.04 0.15 -0.04 0.00 0.00 0.00 0.00 179.25 179.32 2wf9 h ALA 155 N 1.05 -0.12 -0.06 0.00 0.00 -1.07 -2.90 119.26 116.15 2wf9 h ALA 155 Ca 0.15 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 2wf9 h ALA 155 Cb 0.15 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2wf9 h ALA 155 CO -0.02 -0.53 -0.14 0.45 0.00 0.00 0.00 179.25 179.01 2wf9 h HIS 156 N -0.20 0.09 0.00 0.00 3.86 -1.01 -1.97 115.15 115.92 2wf9 h HIS 156 Ca -0.01 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.18 2wf9 h HIS 156 Cb 0.17 -0.03 -0.00 0.00 1.06 0.00 0.00 27.41 28.61 2wf9 h HIS 156 CO -0.05 0.23 -0.04 0.00 0.86 0.00 0.00 177.93 178.93 2wf9 h ALA 157 N 1.77 1.36 -0.24 2.45 0.00 -0.48 -2.15 119.26 121.98 2wf9 h ALA 157 Ca 0.02 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2wf9 h ALA 157 Cb 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2wf9 h ALA 157 CO 0.02 0.05 0.00 1.33 0.00 0.00 0.00 179.25 180.65 2wf9 n VAL 158 N -3.66 1.64 -1.26 0.00 0.24 -0.81 -4.79 118.33 109.70 2wf9 n VAL 158 Ca -0.02 -1.50 -0.02 0.00 -2.04 0.00 0.00 64.34 60.75 2wf9 n VAL 158 Cb 0.14 0.10 -0.01 0.00 -1.47 0.00 0.00 33.84 32.61 2wf9 n VAL 158 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wf9 n GLY 159 N -0.21 0.50 3.36 7.63 0.00 -0.81 -5.01 105.19 110.66 2wf9 n GLY 159 Ca 0.15 -0.94 -0.26 0.00 0.00 0.00 0.00 46.02 44.96 2wf9 n GLY 159 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wf9 s VAL 160 N -2.09 2.08 0.34 1.61 0.11 -0.81 -5.00 120.40 116.64 2wf9 s VAL 160 Ca 0.00 -1.77 -0.24 0.00 -2.93 0.00 0.00 61.98 57.04 2wf9 s VAL 160 Cb 0.00 -1.89 -0.10 0.00 -1.53 0.00 0.00 36.38 32.86 2wf9 s VAL 160 CO 0.00 -0.04 0.91 0.00 -3.33 0.00 0.00 175.10 172.64 2wf9 s ALA 161 N -1.32 3.19 0.41 1.54 0.00 -1.26 -3.15 121.76 121.17 2wf9 s ALA 161 Ca 0.13 0.43 0.17 0.00 0.00 0.00 0.00 51.96 52.70 2wf9 s ALA 161 Cb -0.09 -3.12 1.07 0.00 0.00 0.00 0.00 23.12 20.98 2wf9 s ALA 161 CO 0.06 0.19 1.84 -1.35 0.00 0.00 0.00 175.76 176.50 2wf9 h PRO 162 N 2.84 0.41 -0.04 0.00 0.11 -1.90 -0.17 132.00 133.25 2wf9 h PRO 162 Ca -0.47 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.62 2wf9 h PRO 162 Cb 1.19 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 2wf9 h PRO 162 CO 0.64 0.27 0.13 0.66 -0.21 0.00 0.00 178.00 179.49 2wf9 h SER 163 N 0.43 0.00 -0.64 -2.05 4.64 -1.80 0.07 113.55 114.19 2wf9 h SER 163 Ca 0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.81 2wf9 h SER 163 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2wf9 h SER 163 CO -0.20 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.14 2wf9 n GLU 164 N -3.27 3.26 -4.29 4.77 1.02 -0.08 -4.89 120.64 117.17 2wf9 n GLU 164 Ca -0.02 -2.62 -0.22 0.00 -0.02 0.00 0.00 57.16 54.28 2wf9 n GLU 164 Cb 0.21 -1.76 -0.12 0.00 -0.02 0.00 0.00 31.44 29.75 2wf9 n GLU 164 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2wf9 s SER 165 N -0.91 2.45 -0.10 1.62 0.01 0.00 -0.08 113.70 116.69 2wf9 s SER 165 Ca 0.48 -0.76 -0.04 0.00 1.31 0.00 0.00 55.95 56.93 2wf9 s SER 165 Cb 0.29 -0.13 -0.04 0.00 0.21 0.00 0.00 66.02 66.35 2wf9 s SER 165 CO 0.26 -0.02 0.05 -0.63 0.41 0.00 0.00 173.24 173.31 2wf9 s ILE 166 N -1.64 4.72 -0.08 1.44 1.01 -0.58 -1.40 121.20 124.66 2wf9 s ILE 166 Ca 0.10 -0.09 0.01 0.00 0.00 0.00 0.00 60.65 60.67 2wf9 s ILE 166 Cb -0.08 -3.02 -0.02 0.00 0.01 0.00 0.00 42.46 39.35 2wf9 s ILE 166 CO 0.05 0.60 -0.12 -0.83 0.00 0.00 0.00 174.94 174.64 2wf9 s GLY 167 N -0.84 1.58 -0.17 6.18 0.00 0.35 -0.13 107.32 114.29 2wf9 s GLY 167 Ca 0.13 -0.92 -0.02 0.00 0.00 0.00 0.00 44.72 43.91 2wf9 s GLY 167 CO 0.03 -0.53 -0.09 1.08 0.00 0.00 0.00 173.10 173.58 2wf9 s LEU 168 N -0.37 2.84 0.03 0.66 1.43 -0.50 -1.15 118.68 121.63 2wf9 s LEU 168 Ca 0.04 -0.33 -0.12 0.00 -1.03 0.00 0.00 54.13 52.69 2wf9 s LEU 168 Cb -0.12 -1.68 0.01 0.00 0.03 0.00 0.00 46.19 44.43 2wf9 s LEU 168 CO 0.02 0.10 0.27 -1.61 0.23 0.00 0.00 176.35 175.35 2wf9 s GLU 169 N 0.78 0.75 0.00 1.70 0.41 -1.22 -1.92 118.70 119.20 2wf9 s GLU 169 Ca -0.03 -0.50 0.05 0.00 -0.41 0.00 0.00 54.97 54.07 2wf9 s GLU 169 Cb -0.15 0.32 0.09 0.00 -1.78 0.00 0.00 34.13 32.61 2wf9 s GLU 169 CO 0.01 -0.23 0.88 -0.40 -0.49 0.00 0.00 175.26 175.03 2wf9 n ASP 170 N 0.71 1.90 -4.23 -0.19 5.75 -1.26 -1.47 116.55 117.76 2wf9 n ASP 170 Ca -0.19 -1.59 -0.19 0.00 -0.01 0.00 0.00 54.79 52.81 2wf9 n ASP 170 Cb 0.59 -0.05 -0.12 0.00 -1.03 0.00 0.00 41.12 40.51 2wf9 n ASP 170 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2wf9 s SER 171 N -0.70 2.04 0.13 -1.12 1.04 -1.26 -4.79 113.70 109.03 2wf9 s SER 171 Ca 0.08 -0.74 -0.21 0.00 0.48 0.00 0.00 55.95 55.57 2wf9 s SER 171 Cb 0.05 -0.08 -0.03 0.00 0.10 0.00 0.00 66.02 66.06 2wf9 s SER 171 CO 0.07 -0.08 1.69 1.56 0.98 0.00 0.00 173.24 177.46 2wf9 h GLN 172 N 3.81 -0.06 -0.79 4.02 1.08 -1.61 -0.66 115.11 120.90 2wf9 h GLN 172 Ca -0.41 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 56.75 2wf9 h GLN 172 Cb 1.19 0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 28.60 2wf9 h GLN 172 CO 0.46 -0.04 0.34 0.00 -0.95 0.00 0.00 178.83 178.64 2wf9 h ALA 173 N 1.10 1.03 -0.44 3.87 0.00 -1.90 -1.47 119.26 121.44 2wf9 h ALA 173 Ca 0.09 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 2wf9 h ALA 173 Cb 0.20 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2wf9 h ALA 173 CO -0.21 0.63 0.10 0.78 0.00 0.00 0.00 179.25 180.55 2wf9 h GLY 174 N 1.14 0.77 0.97 0.00 0.00 -1.85 -0.39 103.07 103.71 2wf9 h GLY 174 Ca 0.27 -0.49 0.01 0.00 0.00 0.00 0.00 47.33 47.11 2wf9 h GLY 174 CO -0.03 0.46 0.36 -2.22 0.00 0.00 0.00 176.54 175.11 2wf9 h ILE 175 N 0.58 1.12 -0.66 2.60 1.08 -0.86 -0.87 117.51 120.50 2wf9 h ILE 175 Ca 0.14 -0.25 -0.07 0.00 -0.39 0.00 0.00 64.86 64.29 2wf9 h ILE 175 Cb 0.34 0.33 -0.03 0.00 -3.07 0.00 0.00 36.82 34.39 2wf9 h ILE 175 CO 0.00 0.13 0.15 -0.61 -0.69 0.00 0.00 178.15 177.14 2wf9 h GLN 176 N 0.73 1.05 -0.67 2.37 5.75 -1.11 -1.70 115.11 121.53 2wf9 h GLN 176 Ca 0.21 -0.25 0.00 0.00 -0.15 0.00 0.00 58.65 58.46 2wf9 h GLN 176 Cb -0.06 -0.14 -0.03 0.00 1.07 0.00 0.00 27.48 28.32 2wf9 h GLN 176 CO -0.06 0.94 0.43 0.00 -2.65 0.00 0.00 178.83 177.49 2wf9 h ALA 177 N 1.16 0.85 0.04 3.38 0.00 -0.65 -0.91 119.26 123.13 2wf9 h ALA 177 Ca 0.21 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2wf9 h ALA 177 Cb 0.37 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2wf9 h ALA 177 CO 0.00 0.30 -0.02 0.82 0.00 0.00 0.00 179.25 180.35 2wf9 h ILE 178 N 0.91 1.00 -0.39 0.00 2.04 -0.84 -1.93 117.51 118.31 2wf9 h ILE 178 Ca 0.24 -0.14 0.08 0.00 1.00 0.00 0.00 64.86 66.04 2wf9 h ILE 178 Cb -0.08 1.10 -0.07 0.00 -0.74 0.00 0.00 36.82 37.03 2wf9 h ILE 178 CO -0.05 0.04 -0.09 0.11 0.00 0.00 0.00 178.15 178.16 2wf9 h LYS 179 N -0.11 0.01 0.00 2.37 1.57 -1.08 -2.11 116.57 117.21 2wf9 h LYS 179 Ca -0.01 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2wf9 h LYS 179 Cb 0.10 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.41 2wf9 h LYS 179 CO 0.01 0.01 0.00 -0.25 -0.57 0.00 0.00 179.45 178.64 2wf9 n ASP 180 N -5.29 0.60 0.17 0.86 8.00 -0.37 -1.62 116.55 118.89 2wf9 n ASP 180 Ca 0.02 0.60 0.05 0.00 0.71 0.00 0.00 54.79 56.18 2wf9 n ASP 180 Cb 0.21 -0.75 0.11 0.00 -0.02 0.00 0.00 41.12 40.68 2wf9 n ASP 180 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 2wf9 h SER 181 N 0.00 0.00 0.00 -2.24 4.64 -0.66 -3.46 113.55 111.83 2wf9 h SER 181 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wf9 h SER 181 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 2wf9 h SER 181 CO 0.00 0.37 0.00 0.61 -0.87 0.00 0.00 176.83 176.94 2wf9 n GLY 182 N 1.06 0.19 3.81 -0.77 0.00 -0.64 -4.56 105.19 104.29 2wf9 n GLY 182 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 2wf9 n GLY 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wf9 s ALA 183 N -2.00 2.21 -0.31 4.61 0.00 -1.12 -3.84 121.76 121.31 2wf9 s ALA 183 Ca 0.00 -0.34 -0.15 0.00 0.00 0.00 0.00 51.96 51.47 2wf9 s ALA 183 Cb 0.00 -3.07 -0.02 0.00 0.00 0.00 0.00 23.12 20.03 2wf9 s ALA 183 CO 0.00 -1.82 0.38 -1.17 0.00 0.00 0.00 175.76 173.14 2wf9 s LEU 184 N -5.80 4.22 0.21 0.00 2.96 -0.50 -4.24 118.68 115.54 2wf9 s LEU 184 Ca 0.61 0.05 -0.24 0.00 -0.22 0.00 0.00 54.13 54.33 2wf9 s LEU 184 Cb -0.14 -2.40 -0.08 0.00 0.50 0.00 0.00 46.19 44.07 2wf9 s LEU 184 CO 0.53 -0.27 0.79 -2.16 -1.32 0.00 0.00 176.35 173.93 2wf9 s PRO 185 N 2.07 4.49 -0.18 0.98 0.05 -1.26 -0.49 135.00 140.66 2wf9 s PRO 185 Ca 0.14 1.11 -0.00 0.00 0.05 0.00 0.00 61.00 62.30 2wf9 s PRO 185 Cb -0.16 -3.08 0.04 0.00 0.05 0.00 0.00 34.50 31.36 2wf9 s PRO 185 CO 0.11 0.47 -0.06 0.42 0.05 0.00 0.00 177.00 177.99 2wf9 s ILE 186 N -1.33 1.24 0.33 0.56 1.01 -0.30 -4.22 121.20 118.48 2wf9 s ILE 186 Ca 0.40 -0.76 -0.09 0.00 0.00 0.00 0.00 60.65 60.21 2wf9 s ILE 186 Cb -0.21 -1.41 -0.06 0.00 0.01 0.00 0.00 42.46 40.79 2wf9 s ILE 186 CO 0.25 0.10 0.65 -0.83 0.00 0.00 0.00 174.94 175.11 2wf9 s GLY 187 N 1.57 2.00 -0.13 6.18 0.00 -0.57 -3.38 107.32 113.00 2wf9 s GLY 187 Ca -0.00 -0.32 0.03 0.00 0.00 0.00 0.00 44.72 44.42 2wf9 s GLY 187 CO -0.08 -0.17 -0.22 0.54 0.00 0.00 0.00 173.10 173.18 2wf9 s VAL 188 N -2.15 2.00 -2.05 1.40 0.11 -0.54 -0.93 120.40 118.24 2wf9 s VAL 188 Ca 0.48 -0.96 0.00 0.00 -2.93 0.00 0.00 61.98 58.57 2wf9 s VAL 188 Cb -0.11 -1.76 0.00 0.00 -1.53 0.00 0.00 36.38 32.98 2wf9 s VAL 188 CO 0.28 0.54 0.00 0.61 -3.33 0.00 0.00 175.10 173.20 2wf9 n GLY 189 N 3.93 0.55 3.82 6.54 0.00 -0.16 -4.47 105.19 115.41 2wf9 n GLY 189 Ca -0.20 -1.96 -0.38 0.00 0.00 0.00 0.00 46.02 43.48 2wf9 n GLY 189 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wf9 s ARG 190 N -0.82 4.16 0.42 1.61 0.52 -1.26 -4.39 118.95 119.19 2wf9 s ARG 190 Ca 0.00 0.70 0.17 0.00 -0.52 0.00 0.00 55.73 56.07 2wf9 s ARG 190 Cb 0.00 -3.15 1.06 0.00 0.52 0.00 0.00 34.95 33.39 2wf9 s ARG 190 CO 0.00 0.59 1.88 -1.35 0.02 0.00 0.00 175.30 176.44 2wf9 h PRO 191 N 4.24 0.41 0.00 3.54 0.11 -1.96 -0.45 132.00 137.88 2wf9 h PRO 191 Ca -0.49 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 2wf9 h PRO 191 Cb 1.21 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 2wf9 h PRO 191 CO 0.64 0.27 -0.06 0.93 -0.21 0.00 0.00 178.00 179.57 2wf9 h GLU 192 N 0.42 0.00 -0.28 1.05 3.07 -1.94 -1.15 114.58 115.75 2wf9 h GLU 192 Ca 0.43 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.29 2wf9 h GLU 192 Cb 1.04 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.95 2wf9 h GLU 192 CO -0.16 0.06 0.00 -0.25 -1.40 0.00 0.00 179.01 177.26 2wf9 n ASP 193 N -3.38 2.96 0.08 1.42 8.00 -0.18 -4.71 116.55 120.73 2wf9 n ASP 193 Ca -0.02 -1.92 0.00 0.00 0.71 0.00 0.00 54.79 53.56 2wf9 n ASP 193 Cb 0.20 -0.18 0.00 0.00 -0.02 0.00 0.00 41.12 41.13 2wf9 n ASP 193 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2wf9 n LEU 194 N 1.19 0.64 0.00 0.64 4.77 -0.62 -2.26 117.00 121.36 2wf9 n LEU 194 Ca 0.18 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.42 2wf9 n LEU 194 Cb 0.54 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 2wf9 n LEU 194 CO 0.15 -0.76 0.00 0.61 -1.33 0.00 0.00 177.39 176.06 2wf9 n GLY 195 N 2.79 0.77 3.57 -0.72 0.00 -0.53 -4.16 105.19 106.90 2wf9 n GLY 195 Ca 0.00 -1.83 -0.25 0.00 0.00 0.00 0.00 46.02 43.95 2wf9 n GLY 195 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wf9 s ASP 196 N -4.00 3.96 -1.44 1.61 1.01 -1.26 -4.73 116.67 111.82 2wf9 s ASP 196 Ca 0.00 -1.03 0.00 0.00 0.71 0.00 0.00 52.55 52.23 2wf9 s ASP 196 Cb 0.00 -0.46 0.00 0.00 1.01 0.00 0.00 42.92 43.47 2wf9 s ASP 196 CO 0.00 -0.14 0.00 0.47 0.21 0.00 0.00 175.17 175.71 2wf9 n ASP 197 N -0.83 -4.84 -4.13 0.27 8.00 -1.26 -4.99 116.55 108.77 2wf9 n ASP 197 Ca -0.05 0.06 -0.12 0.00 0.71 0.00 0.00 54.79 55.39 2wf9 n ASP 197 Cb 0.62 -3.92 -0.11 0.00 -0.02 0.00 0.00 41.12 37.69 2wf9 n ASP 197 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 2wf9 s ILE 198 N -2.77 0.70 0.21 0.53 -4.36 -1.26 -5.07 121.20 109.18 2wf9 s ILE 198 Ca 0.00 -1.57 -0.30 0.00 -0.26 0.00 0.00 60.65 58.52 2wf9 s ILE 198 Cb 0.00 -1.24 -0.08 0.00 1.25 0.00 0.00 42.46 42.39 2wf9 s ILE 198 CO 0.00 -0.63 1.09 -0.69 0.24 0.00 0.00 174.94 174.95 2wf9 s VAL 199 N -2.58 3.76 -0.03 8.37 1.01 -1.26 -4.97 120.40 124.70 2wf9 s VAL 199 Ca 0.03 1.60 0.02 0.00 0.00 0.00 0.00 61.98 63.63 2wf9 s VAL 199 Cb -0.02 -4.02 0.01 0.00 0.00 0.00 0.00 36.38 32.35 2wf9 s VAL 199 CO -0.02 0.31 -0.07 -0.63 0.00 0.00 0.00 175.10 174.69 2wf9 s ILE 200 N -0.56 0.70 0.06 2.22 1.01 -1.26 -1.51 121.20 121.86 2wf9 s ILE 200 Ca 0.47 -0.28 0.06 0.00 0.00 0.00 0.00 60.65 60.90 2wf9 s ILE 200 Cb -0.30 -0.66 -0.04 0.00 0.01 0.00 0.00 42.46 41.48 2wf9 s ILE 200 CO 0.37 0.24 -0.10 0.68 0.00 0.00 0.00 174.94 176.12 2wf9 s VAL 201 N 0.47 3.36 0.15 2.92 -7.23 -0.11 -4.97 120.40 114.98 2wf9 s VAL 201 Ca -0.07 -1.09 0.16 0.00 -1.81 0.00 0.00 61.98 59.17 2wf9 s VAL 201 Cb -0.11 -2.51 0.07 0.00 0.56 0.00 0.00 36.38 34.40 2wf9 s VAL 201 CO 0.01 0.25 1.65 1.55 -0.31 0.00 0.00 175.10 178.24 2wf9 h PRO 202 N 4.08 0.00 -3.35 4.82 0.13 -1.87 -0.39 132.00 135.42 2wf9 h PRO 202 Ca -0.48 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2wf9 h PRO 202 Cb 1.16 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.22 2wf9 h PRO 202 CO 0.52 0.48 0.04 0.16 -0.23 0.00 0.00 178.00 178.96 2wf9 s ASP 203 N -6.54 -0.18 0.13 1.44 1.47 -1.26 -3.81 116.67 107.92 2wf9 s ASP 203 Ca 0.00 -0.75 0.21 0.00 1.18 0.00 0.00 52.55 53.19 2wf9 s ASP 203 Cb 0.11 0.64 0.85 0.00 -0.34 0.00 0.00 42.92 44.18 2wf9 s ASP 203 CO 0.72 -1.21 1.64 0.35 0.68 0.00 0.00 175.17 177.34 2wf9 n THR 204 N -0.41 0.79 0.32 2.11 -2.24 -1.26 -2.33 114.28 111.26 2wf9 n THR 204 Ca -0.03 0.16 0.21 0.00 -2.27 0.00 0.00 64.05 62.12 2wf9 n THR 204 Cb 0.61 -0.98 1.09 0.00 -2.10 0.00 0.00 70.33 68.95 2wf9 n THR 204 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2wf9 h SER 205 N 0.00 0.00 1.25 3.42 4.64 -1.92 -1.21 113.55 119.73 2wf9 h SER 205 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wf9 h SER 205 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 2wf9 h SER 205 CO 0.00 0.01 -0.11 1.41 -0.87 0.00 0.00 176.83 177.27 2wf9 n HIS 206 N -3.17 0.64 -2.48 4.77 8.25 -0.99 -4.60 115.22 117.65 2wf9 n HIS 206 Ca -0.02 0.19 -0.39 0.00 -0.26 0.00 0.00 57.72 57.23 2wf9 n HIS 206 Cb 0.12 -0.78 -0.03 0.00 1.12 0.00 0.00 29.99 30.42 2wf9 n HIS 206 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 2wf9 s TYR 207 N -3.08 2.45 0.24 4.41 2.02 -0.46 -4.81 117.35 118.11 2wf9 s TYR 207 Ca 0.11 -0.72 0.10 0.00 -0.37 0.00 0.00 57.07 56.19 2wf9 s TYR 207 Cb 0.14 -4.60 -0.04 0.00 -0.40 0.00 0.00 41.96 37.06 2wf9 s TYR 207 CO 0.60 -1.87 -0.11 0.95 -1.57 0.00 0.00 175.55 173.56 2wf9 s THR 208 N 5.75 3.01 0.20 -0.71 -4.23 -1.26 -4.69 115.64 113.71 2wf9 s THR 208 Ca 0.51 -1.97 -0.11 0.00 -1.18 0.00 0.00 61.69 58.94 2wf9 s THR 208 Cb -0.00 -2.55 0.13 0.00 1.34 0.00 0.00 72.50 71.41 2wf9 s THR 208 CO -0.05 -0.27 1.86 0.25 -0.54 0.00 0.00 174.62 175.87 2wf9 h LEU 209 N 2.43 0.76 -0.53 4.79 5.85 -1.92 -1.14 115.31 125.54 2wf9 h LEU 209 Ca -0.44 -0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.35 2wf9 h LEU 209 Cb 1.23 -0.18 -0.07 0.00 0.37 0.00 0.00 40.66 42.01 2wf9 h LEU 209 CO 0.57 0.55 0.16 -0.08 -0.34 0.00 0.00 178.44 179.30 2wf9 h GLU 210 N 0.90 0.31 -0.30 1.25 4.81 -1.97 -0.93 114.58 118.66 2wf9 h GLU 210 Ca 0.26 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.39 2wf9 h GLU 210 Cb -0.07 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 2wf9 h GLU 210 CO -0.07 0.21 -0.11 0.35 -0.73 0.00 0.00 179.01 178.66 2wf9 h PHE 211 N 0.32 0.68 -0.90 0.92 3.57 -1.75 -1.94 116.94 117.85 2wf9 h PHE 211 Ca 0.27 -0.16 0.06 0.00 3.53 0.00 0.00 57.97 61.67 2wf9 h PHE 211 Cb 0.33 -0.16 -0.06 0.00 2.79 0.00 0.00 35.95 38.85 2wf9 h PHE 211 CO -0.19 0.81 0.57 -0.07 -2.23 0.00 0.00 178.31 177.19 2wf9 h LEU 212 N 0.35 0.91 -0.52 0.59 4.07 -0.93 0.15 115.31 119.92 2wf9 h LEU 212 Ca 0.07 0.01 -0.03 0.00 0.08 0.00 0.00 57.88 58.01 2wf9 h LEU 212 Cb 0.61 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 42.14 2wf9 h LEU 212 CO 0.04 0.59 0.21 0.11 -1.08 0.00 0.00 178.44 178.30 2wf9 h LYS 213 N 1.04 0.78 -0.21 1.13 1.57 -1.04 0.38 116.57 120.23 2wf9 h LYS 213 Ca 0.38 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 59.01 2wf9 h LYS 213 Cb 0.14 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 2wf9 h LYS 213 CO -0.16 0.69 0.08 0.93 -0.57 0.00 0.00 179.45 180.41 2wf9 h GLU 214 N 0.71 0.31 -0.65 3.15 5.08 -0.82 -2.16 114.58 120.20 2wf9 h GLU 214 Ca 0.17 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 2wf9 h GLU 214 Cb 0.19 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 2wf9 h GLU 214 CO -0.01 0.38 0.37 0.28 -1.00 0.00 0.00 179.01 179.03 2wf9 h VAL 215 N 0.18 1.20 -0.18 3.13 2.07 -0.89 -1.65 116.25 120.11 2wf9 h VAL 215 Ca 0.07 -0.49 0.05 0.00 0.82 0.00 0.00 66.70 67.15 2wf9 h VAL 215 Cb 0.19 0.34 -0.05 0.00 -1.52 0.00 0.00 31.29 30.25 2wf9 h VAL 215 CO -0.00 0.22 -0.15 -0.25 0.02 0.00 0.00 177.57 177.40 2wf9 h TRP 216 N 0.89 -0.38 -0.59 1.57 2.91 -0.77 -2.20 115.95 117.39 2wf9 h TRP 216 Ca 0.23 0.03 -0.03 0.00 1.13 0.00 0.00 58.89 60.25 2wf9 h TRP 216 Cb 0.02 0.19 -0.03 0.00 -0.51 0.00 0.00 29.16 28.84 2wf9 h TRP 216 CO -0.01 -0.22 0.24 -0.07 -1.03 0.00 0.00 178.44 177.35 2wf9 h LEU 217 N -0.16 0.77 -2.09 0.65 3.38 -1.14 -1.74 115.31 114.98 2wf9 h LEU 217 Ca 0.11 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 2wf9 h LEU 217 Cb 0.33 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 2wf9 h LEU 217 CO -0.28 0.69 -0.07 1.56 0.09 0.00 0.00 178.44 180.43 2wf9 h GLN 218 N 0.84 0.00 -0.49 1.13 4.20 -0.78 -2.88 115.11 117.13 2wf9 h GLN 218 Ca 0.20 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.91 2wf9 h GLN 218 Cb 0.15 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.93 2wf9 h GLN 218 CO -0.02 0.07 0.00 1.63 -0.67 0.00 0.00 178.83 179.84 2wf9 n LYS 219 N -3.92 3.41 -3.99 1.46 4.76 -0.67 -4.93 118.16 114.27 2wf9 n LYS 219 Ca -0.02 -2.71 -0.35 0.00 -2.87 0.00 0.00 58.31 52.36 2wf9 n LYS 219 Cb 0.16 -1.76 -0.06 0.00 -1.84 0.00 0.00 35.03 31.53 2wf9 n LYS 219 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 2wf9 s GLN 220 N -1.94 3.31 0.00 1.97 -1.52 -1.09 -5.06 119.66 115.33 2wf9 s GLN 220 Ca 0.43 -0.28 0.00 0.00 -1.95 0.00 0.00 55.36 53.56 2wf9 s GLN 220 Cb 0.29 -3.05 0.00 0.00 -0.22 0.00 0.00 33.01 30.03 2wf9 s GLN 220 CO 0.19 0.72 0.49 1.63 -0.25 0.00 0.00 175.29 178.06