#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wf8 s PHE 2 N 0.00 2.18 -0.37 1.12 -0.12 -1.26 -4.95 117.98 114.57 2wf8 s PHE 2 Ca 0.00 1.45 0.05 0.00 -0.05 0.00 0.00 56.93 58.38 2wf8 s PHE 2 Cb 0.00 -3.71 -0.02 0.00 -0.63 0.00 0.00 43.02 38.66 2wf8 s PHE 2 CO 0.00 -2.85 0.36 1.63 -0.05 0.00 0.00 175.22 174.31 2wf8 n LYS 3 N -1.58 3.39 -3.78 1.99 5.02 0.41 -4.96 118.16 118.65 2wf8 n LYS 3 Ca 0.14 -0.29 -0.12 0.00 -2.02 0.00 0.00 58.31 56.01 2wf8 n LYS 3 Cb 0.47 -0.85 -0.08 0.00 -0.02 0.00 0.00 35.03 34.54 2wf8 n LYS 3 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wf8 s ALA 4 N -1.06 -0.67 -0.10 7.82 0.00 -1.21 -1.32 121.76 125.23 2wf8 s ALA 4 Ca 0.03 0.15 0.04 0.00 0.00 0.00 0.00 51.96 52.18 2wf8 s ALA 4 Cb 0.04 0.15 0.00 0.00 0.00 0.00 0.00 23.12 23.31 2wf8 s ALA 4 CO 0.14 -0.29 -0.22 0.08 0.00 0.00 0.00 175.76 175.47 2wf8 s VAL 5 N -1.69 1.93 -0.36 0.00 1.01 -0.01 -1.64 120.40 119.64 2wf8 s VAL 5 Ca -0.11 -0.94 -0.07 0.00 0.00 0.00 0.00 61.98 60.86 2wf8 s VAL 5 Cb -0.04 -1.67 0.05 0.00 0.00 0.00 0.00 36.38 34.71 2wf8 s VAL 5 CO 0.02 0.53 0.15 -0.76 0.00 0.00 0.00 175.10 175.03 2wf8 s LEU 6 N 0.40 4.55 -0.23 3.92 1.43 0.78 -1.91 118.68 127.62 2wf8 s LEU 6 Ca -0.18 -1.24 -0.15 0.00 -1.03 0.00 0.00 54.13 51.53 2wf8 s LEU 6 Cb -0.18 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 44.10 2wf8 s LEU 6 CO 0.08 -0.38 0.38 -0.36 0.23 0.00 0.00 176.35 176.30 2wf8 s PHE 7 N 1.41 3.33 0.81 0.29 0.40 0.26 -1.39 117.98 123.09 2wf8 s PHE 7 Ca -0.00 0.54 -0.11 0.00 -0.60 0.00 0.00 56.93 56.75 2wf8 s PHE 7 Cb -0.20 -2.53 0.09 0.00 0.51 0.00 0.00 43.02 40.88 2wf8 s PHE 7 CO 0.03 -0.08 1.13 0.34 0.70 0.00 0.00 175.22 177.34 2wf8 s ASP 8 N 1.23 3.87 -0.05 1.36 2.15 -0.71 -0.24 116.67 124.28 2wf8 s ASP 8 Ca 0.17 2.06 -0.06 0.00 0.43 0.00 0.00 52.55 55.16 2wf8 s ASP 8 Cb -0.15 -2.55 -0.02 0.00 -0.30 0.00 0.00 42.92 39.90 2wf8 s ASP 8 CO 0.08 -2.47 -0.11 -0.11 -0.17 0.00 0.00 175.17 172.39 2wf8 n LEU 9 N -3.61 0.63 -4.68 -1.34 0.00 -1.26 -4.13 117.00 102.60 2wf8 n LEU 9 Ca 0.11 0.11 -0.42 0.00 0.00 0.00 0.00 56.01 55.80 2wf8 n LEU 9 Cb 0.52 -0.55 -0.03 0.00 0.00 0.00 0.00 43.42 43.36 2wf8 n LEU 9 CO 0.50 -0.43 1.19 -1.81 0.00 0.00 0.00 177.39 176.84 2wf8 s ASP 10 N -4.67 6.80 0.00 1.96 1.01 -1.26 -0.92 116.67 119.58 2wf8 s ASP 10 Ca -0.09 2.12 0.00 0.00 0.71 0.00 0.00 52.55 55.29 2wf8 s ASP 10 Cb 0.01 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.39 2wf8 s ASP 10 CO 0.13 -0.79 0.00 0.61 0.21 0.00 0.00 175.17 175.34 2wf8 n GLY 11 N 3.78 1.00 1.04 0.21 0.00 0.05 -4.64 105.19 106.64 2wf8 n GLY 11 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2wf8 n GLY 11 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wf8 n VAL 12 N -2.00 0.45 0.08 1.61 0.31 -0.52 -4.70 118.33 113.56 2wf8 n VAL 12 Ca 0.00 0.15 -0.14 0.00 -0.01 0.00 0.00 64.34 64.34 2wf8 n VAL 12 Cb 0.00 -1.51 -0.14 0.00 -0.91 0.00 0.00 33.84 31.28 2wf8 n VAL 12 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2wf8 h ILE 13 N 0.00 1.40 -3.08 2.52 2.04 -1.19 -3.44 117.51 115.76 2wf8 h ILE 13 Ca 0.00 -3.04 0.04 0.00 1.00 0.00 0.00 64.86 62.87 2wf8 h ILE 13 Cb 0.61 2.84 -0.05 0.00 -0.74 0.00 0.00 36.82 39.49 2wf8 h ILE 13 CO 0.00 0.86 0.19 0.28 0.00 0.00 0.00 178.15 179.49 2wf8 s THR 14 N -2.65 0.00 -0.55 -0.27 -1.32 -1.23 -0.95 115.64 108.67 2wf8 s THR 14 Ca -0.05 -1.05 -0.04 0.00 -1.21 0.00 0.00 61.69 59.35 2wf8 s THR 14 Cb 0.08 -2.14 0.12 0.00 -1.51 0.00 0.00 72.50 69.04 2wf8 s THR 14 CO 0.86 0.00 2.63 -0.67 -2.21 0.00 0.00 174.62 175.23 2wf8 n ASP 15 N -0.59 6.70 0.13 8.08 4.64 -1.26 -0.77 116.55 133.49 2wf8 n ASP 15 Ca -0.04 -3.32 0.13 0.00 -1.38 0.00 0.00 54.79 50.18 2wf8 n ASP 15 Cb 0.59 -1.21 0.38 0.00 -1.04 0.00 0.00 41.12 39.85 2wf8 n ASP 15 CO 0.00 0.00 0.00 0.71 -0.82 0.00 0.00 177.20 177.09 2wf8 h THR 16 N 2.02 0.00 -0.74 5.18 1.35 -1.92 -2.85 112.91 115.95 2wf8 h THR 16 Ca 0.43 -0.55 0.11 0.00 -0.55 0.00 0.00 66.41 65.85 2wf8 h THR 16 Cb 0.58 1.52 -0.05 0.00 -1.73 0.00 0.00 68.15 68.47 2wf8 h THR 16 CO 0.99 0.00 0.49 0.00 -0.25 0.00 0.00 175.52 176.75 2wf8 h ALA 17 N 2.39 1.89 -0.65 6.62 0.00 -1.82 -1.07 119.26 126.61 2wf8 h ALA 17 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2wf8 h ALA 17 Cb 0.74 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 2wf8 h ALA 17 CO 0.00 -0.05 0.32 1.49 0.00 0.00 0.00 179.25 181.01 2wf8 h GLU 18 N 0.59 0.92 -0.34 0.00 4.57 -1.88 -1.53 114.58 116.93 2wf8 h GLU 18 Ca 0.35 -0.13 -0.17 0.00 -1.18 0.00 0.00 59.36 58.23 2wf8 h GLU 18 Cb 0.55 -0.17 -0.00 0.00 -0.16 0.00 0.00 28.75 28.96 2wf8 h GLU 18 CO -0.12 0.73 -0.45 1.88 -1.18 0.00 0.00 179.01 179.86 2wf8 h TYR 19 N 0.89 1.07 -0.57 0.92 0.99 -1.48 -1.23 116.97 117.56 2wf8 h TYR 19 Ca 0.22 -0.34 0.03 0.00 2.00 0.00 0.00 58.73 60.64 2wf8 h TYR 19 Cb 0.10 -0.22 -0.04 0.00 1.00 0.00 0.00 36.73 37.57 2wf8 h TYR 19 CO -0.00 1.16 0.33 0.45 -0.00 0.00 0.00 178.16 180.10 2wf8 h HIS 20 N 0.70 0.62 0.12 4.88 3.86 -1.06 -0.75 115.15 123.52 2wf8 h HIS 20 Ca 0.04 0.02 0.01 0.00 -1.16 0.00 0.00 60.37 59.28 2wf8 h HIS 20 Cb 1.04 -0.20 -0.02 0.00 1.06 0.00 0.00 27.41 29.30 2wf8 h HIS 20 CO 0.06 0.34 -0.15 0.35 0.86 0.00 0.00 177.93 179.39 2wf8 h PHE 21 N 0.65 -0.39 -0.94 2.45 3.57 -1.13 -0.06 116.94 121.09 2wf8 h PHE 21 Ca 0.24 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.73 2wf8 h PHE 21 Cb 0.06 0.16 -0.05 0.00 2.79 0.00 0.00 35.95 38.91 2wf8 h PHE 21 CO -0.07 -0.23 0.56 0.00 -2.23 0.00 0.00 178.31 176.34 2wf8 h ARG 22 N -0.31 1.29 -0.31 1.11 3.08 -1.00 -0.65 114.38 117.59 2wf8 h ARG 22 Ca 0.01 -0.12 -0.10 0.00 0.07 0.00 0.00 59.98 59.84 2wf8 h ARG 22 Cb 0.31 -0.27 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 2wf8 h ARG 22 CO -0.06 0.91 -0.22 0.00 -1.07 0.00 0.00 179.97 179.53 2wf8 h ALA 23 N 1.31 0.44 -0.63 0.04 0.00 -0.92 -1.97 119.26 117.53 2wf8 h ALA 23 Ca 0.34 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 2wf8 h ALA 23 Cb -0.04 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2wf8 h ALA 23 CO -0.06 0.40 0.03 -1.49 0.00 0.00 0.00 179.25 178.13 2wf8 h TRP 24 N 0.44 1.18 -0.53 0.00 -0.00 -0.80 -1.88 115.95 114.36 2wf8 h TRP 24 Ca 0.06 -0.19 -0.02 0.00 -0.00 0.00 0.00 58.89 58.74 2wf8 h TRP 24 Cb 0.77 -0.31 -0.02 0.00 -0.00 0.00 0.00 29.16 29.59 2wf8 h TRP 24 CO 0.07 1.02 0.27 -0.22 -0.00 0.00 0.00 178.44 179.57 2wf8 h LYS 25 N 1.00 0.76 -0.59 0.49 3.64 -1.08 0.38 116.57 121.16 2wf8 h LYS 25 Ca 0.18 -0.10 0.01 0.00 -1.27 0.00 0.00 60.65 59.47 2wf8 h LYS 25 Cb 0.53 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.18 2wf8 h LYS 25 CO 0.03 0.61 0.38 0.00 -2.27 0.00 0.00 179.45 178.20 2wf8 h ALA 26 N 1.10 0.75 0.09 5.00 0.00 -1.19 -1.38 119.26 123.64 2wf8 h ALA 26 Ca 0.18 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2wf8 h ALA 26 Cb 0.10 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2wf8 h ALA 26 CO -0.03 0.14 -0.04 1.25 0.00 0.00 0.00 179.25 180.57 2wf8 h LEU 27 N 0.76 -0.10 -0.52 0.00 6.46 -1.06 -1.98 115.31 118.86 2wf8 h LEU 27 Ca 0.22 -0.09 0.06 0.00 -0.12 0.00 0.00 57.88 57.96 2wf8 h LEU 27 Cb -0.04 0.03 -0.05 0.00 -0.73 0.00 0.00 40.66 39.86 2wf8 h LEU 27 CO -0.07 0.02 0.21 0.00 -0.62 0.00 0.00 178.44 177.99 2wf8 h ALA 28 N 0.67 0.65 -0.19 1.25 0.00 -0.74 -1.90 119.26 119.00 2wf8 h ALA 28 Ca -0.01 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 2wf8 h ALA 28 Cb 0.19 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2wf8 h ALA 28 CO 0.02 -0.17 -0.26 0.93 0.00 0.00 0.00 179.25 179.77 2wf8 h GLU 29 N 0.41 0.36 -0.68 0.00 5.08 -1.05 -0.33 114.58 118.37 2wf8 h GLU 29 Ca 0.24 -0.13 0.03 0.00 -1.00 0.00 0.00 59.36 58.51 2wf8 h GLU 29 Cb 0.23 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.42 2wf8 h GLU 29 CO -0.22 0.60 0.45 0.93 -1.00 0.00 0.00 179.01 179.77 2wf8 h GLU 30 N 0.32 0.79 -0.55 2.33 5.08 -0.56 -1.29 114.58 120.71 2wf8 h GLU 30 Ca 0.05 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2wf8 h GLU 30 Cb 0.63 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2wf8 h GLU 30 CO 0.05 0.52 0.00 0.44 -1.00 0.00 0.00 179.01 179.02 2wf8 n ILE 31 N -4.46 0.82 -0.86 3.13 -5.35 -0.82 -4.94 119.36 106.88 2wf8 n ILE 31 Ca 0.08 -0.74 0.00 0.00 -0.27 0.00 0.00 62.75 61.82 2wf8 n ILE 31 Cb 0.13 0.30 0.00 0.00 -1.74 0.00 0.00 39.64 38.33 2wf8 n ILE 31 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wf8 n GLY 32 N 1.28 0.52 3.39 3.28 0.00 -0.48 -5.04 105.19 108.13 2wf8 n GLY 32 Ca 0.18 -0.87 -0.37 0.00 0.00 0.00 0.00 46.02 44.96 2wf8 n GLY 32 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wf8 s ILE 33 N -2.00 4.12 -1.39 -0.61 1.01 -0.20 -4.98 121.20 117.16 2wf8 s ILE 33 Ca 0.00 -0.46 0.13 0.00 0.00 0.00 0.00 60.65 60.32 2wf8 s ILE 33 Cb 0.00 -3.03 0.25 0.00 0.01 0.00 0.00 42.46 39.69 2wf8 s ILE 33 CO 0.00 0.20 1.13 0.59 0.00 0.00 0.00 174.94 176.86 2wf8 n ASN 34 N 4.90 2.66 -0.24 3.58 5.03 -1.26 -2.73 115.26 127.19 2wf8 n ASN 34 Ca -0.15 -1.80 0.15 0.00 0.87 0.00 0.00 54.58 53.65 2wf8 n ASN 34 Cb 0.50 -0.15 0.72 0.00 -1.02 0.00 0.00 39.78 39.82 2wf8 n ASN 34 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2wf8 n GLY 35 N 0.75 -0.50 3.54 7.41 0.00 -1.26 -4.64 105.19 110.48 2wf8 n GLY 35 Ca 0.11 -0.33 -0.43 0.00 0.00 0.00 0.00 46.02 45.38 2wf8 n GLY 35 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wf8 s VAL 36 N -2.03 4.31 0.47 1.61 1.01 -1.26 -4.67 120.40 119.84 2wf8 s VAL 36 Ca 0.42 -1.66 0.05 0.00 0.00 0.00 0.00 61.98 60.79 2wf8 s VAL 36 Cb 0.21 -5.05 0.05 0.00 0.00 0.00 0.00 36.38 31.59 2wf8 s VAL 36 CO 0.36 -1.86 0.42 -0.90 0.00 0.00 0.00 175.10 173.12 2wf8 n ASP 37 N 7.80 2.35 -0.11 3.32 5.68 -1.26 -4.77 116.55 129.56 2wf8 n ASP 37 Ca 0.39 -2.55 -0.02 0.00 -0.50 0.00 0.00 54.79 52.11 2wf8 n ASP 37 Cb 0.47 -0.11 0.23 0.00 -1.14 0.00 0.00 41.12 40.57 2wf8 n ASP 37 CO 0.00 0.00 0.00 0.03 -1.33 0.00 0.00 177.20 175.90 2wf8 h ARG 38 N 0.00 0.79 -0.02 0.11 3.08 -1.99 0.35 114.38 116.70 2wf8 h ARG 38 Ca -0.28 -0.14 -0.00 0.00 0.07 0.00 0.00 59.98 59.63 2wf8 h ARG 38 Cb 1.08 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 31.00 2wf8 h ARG 38 CO 0.44 0.68 0.01 0.37 -1.07 0.00 0.00 179.97 180.40 2wf8 h GLN 39 N 0.77 0.03 -0.98 0.04 4.15 -1.96 -2.72 115.11 114.45 2wf8 h GLN 39 Ca 0.18 -0.00 0.02 0.00 0.77 0.00 0.00 58.65 59.61 2wf8 h GLN 39 Cb 0.23 -0.00 -0.05 0.00 0.21 0.00 0.00 27.48 27.86 2wf8 h GLN 39 CO -0.01 0.17 0.64 0.35 -1.93 0.00 0.00 178.83 178.06 2wf8 h PHE 40 N -0.12 1.22 -0.00 3.99 3.57 -1.73 -2.52 116.94 121.34 2wf8 h PHE 40 Ca 0.01 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.54 2wf8 h PHE 40 Cb 0.16 -0.41 -0.00 0.00 2.79 0.00 0.00 35.95 38.49 2wf8 h PHE 40 CO -0.02 0.74 0.05 -0.97 -2.23 0.00 0.00 178.31 175.88 2wf8 h ASN 41 N 1.29 0.00 -0.08 0.41 -0.73 -0.62 0.39 115.58 116.24 2wf8 h ASN 41 Ca 0.37 0.00 0.02 0.00 1.87 0.00 0.00 56.30 58.56 2wf8 h ASN 41 Cb -0.10 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 38.49 2wf8 h ASN 41 CO -0.09 0.00 0.08 -0.33 -0.37 0.00 0.00 177.43 176.71 2wf8 h GLU 42 N 0.00 0.00 0.00 6.67 4.39 -1.33 0.16 114.58 124.48 2wf8 h GLU 42 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2wf8 h GLU 42 Cb 0.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 2wf8 h GLU 42 CO -0.00 0.00 -0.01 1.04 -1.16 0.00 0.00 179.01 178.88 2wf8 n GLN 43 N -4.14 0.07 -0.02 2.33 6.02 0.13 -3.59 117.38 118.18 2wf8 n GLN 43 Ca -0.01 0.06 0.07 0.00 -0.01 0.00 0.00 57.00 57.11 2wf8 n GLN 43 Cb 0.18 -1.58 -0.16 0.00 1.02 0.00 0.00 30.24 29.70 2wf8 n GLN 43 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2wf8 n LEU 44 N -1.70 0.02 -4.72 1.08 4.77 -0.03 -4.82 117.00 111.59 2wf8 n LEU 44 Ca 0.07 0.01 -0.42 0.00 -0.03 0.00 0.00 56.01 55.64 2wf8 n LEU 44 Cb 0.36 0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.51 2wf8 n LEU 44 CO 0.28 0.08 1.32 -0.54 -1.33 0.00 0.00 177.39 177.20 2wf8 s LYS 45 N -3.34 4.15 0.00 3.23 1.02 -0.76 -2.16 119.74 121.88 2wf8 s LYS 45 Ca -0.08 2.54 0.00 0.00 0.02 0.00 0.00 55.97 58.45 2wf8 s LYS 45 Cb 0.13 -3.08 0.00 0.00 -0.52 0.00 0.00 37.83 34.35 2wf8 s LYS 45 CO 0.89 -0.70 0.00 0.41 -0.92 0.00 0.00 175.35 175.04 2wf8 n GLY 46 N 3.62 0.79 3.89 -3.33 0.00 -1.26 -4.38 105.19 104.52 2wf8 n GLY 46 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 2wf8 n GLY 46 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wf8 s VAL 47 N -3.28 5.45 0.96 1.61 1.01 -0.92 -4.51 120.40 120.72 2wf8 s VAL 47 Ca 0.00 0.11 -0.11 0.00 0.00 0.00 0.00 61.98 61.98 2wf8 s VAL 47 Cb 0.00 -3.47 0.13 0.00 0.00 0.00 0.00 36.38 33.04 2wf8 s VAL 47 CO 0.00 0.50 0.92 -1.54 0.00 0.00 0.00 175.10 174.98 2wf8 n SER 48 N 1.56 -0.53 -0.11 3.32 3.41 -1.26 -4.61 113.62 115.40 2wf8 n SER 48 Ca -0.16 0.33 -0.05 0.00 -0.26 0.00 0.00 58.87 58.73 2wf8 n SER 48 Cb 0.54 -1.38 0.03 0.00 -0.26 0.00 0.00 64.21 63.14 2wf8 n SER 48 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2wf8 h ARG 49 N -1.90 0.16 0.01 4.33 2.43 -1.98 0.19 114.38 117.62 2wf8 h ARG 49 Ca -0.45 -0.01 -0.23 0.00 -0.81 0.00 0.00 59.98 58.48 2wf8 h ARG 49 Cb 1.28 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 2wf8 h ARG 49 CO 0.40 0.11 -0.97 0.93 -1.51 0.00 0.00 179.97 178.93 2wf8 h GLU 50 N 0.16 0.42 -0.19 0.20 5.08 -1.99 -1.93 114.58 116.34 2wf8 h GLU 50 Ca 0.18 -0.46 -0.07 0.00 -1.00 0.00 0.00 59.36 58.01 2wf8 h GLU 50 Cb 0.23 0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 2wf8 h GLU 50 CO -0.27 1.13 -0.19 -0.44 -1.00 0.00 0.00 179.01 178.24 2wf8 h ASP 51 N 0.23 0.32 -0.10 1.42 3.32 -1.85 -1.38 116.42 118.38 2wf8 h ASP 51 Ca -0.09 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 56.87 2wf8 h ASP 51 Cb 1.61 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 41.07 2wf8 h ASP 51 CO 0.17 0.53 0.01 0.28 -1.72 0.00 0.00 179.24 178.51 2wf8 h SER 52 N 0.30 0.16 -0.75 6.45 0.02 -0.36 -1.22 113.55 118.16 2wf8 h SER 52 Ca 0.05 -0.27 0.01 0.00 -0.84 0.00 0.00 61.79 60.74 2wf8 h SER 52 Cb 0.52 -0.04 -0.04 0.00 0.14 0.00 0.00 62.40 62.98 2wf8 h SER 52 CO 0.03 0.39 0.50 0.25 -1.14 0.00 0.00 176.83 176.86 2wf8 h LEU 53 N -0.07 0.86 -0.88 5.07 5.85 -1.23 -1.94 115.31 122.98 2wf8 h LEU 53 Ca 0.03 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 2wf8 h LEU 53 Cb 0.30 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 2wf8 h LEU 53 CO 0.00 0.62 0.41 -0.61 -0.34 0.00 0.00 178.44 178.52 2wf8 h GLN 54 N 1.01 1.22 -0.97 1.25 5.75 -1.09 -0.37 115.11 121.90 2wf8 h GLN 54 Ca 0.28 -0.18 0.00 0.00 -0.15 0.00 0.00 58.65 58.61 2wf8 h GLN 54 Cb -0.11 -0.22 -0.05 0.00 1.07 0.00 0.00 27.48 28.18 2wf8 h GLN 54 CO -0.06 0.93 0.63 0.87 -2.65 0.00 0.00 178.83 178.54 2wf8 h LYS 55 N 1.21 1.29 -0.22 1.69 1.57 -0.82 0.04 116.57 121.31 2wf8 h LYS 55 Ca 0.29 -0.09 -0.03 0.00 -1.87 0.00 0.00 60.65 58.95 2wf8 h LYS 55 Cb 0.11 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 2wf8 h LYS 55 CO -0.04 0.87 0.01 0.82 -0.57 0.00 0.00 179.45 180.55 2wf8 h ILE 56 N 1.32 1.24 -0.54 1.86 2.04 -0.63 -1.07 117.51 121.74 2wf8 h ILE 56 Ca 0.35 -0.84 -0.02 0.00 1.00 0.00 0.00 64.86 65.36 2wf8 h ILE 56 Cb -0.12 1.36 -0.03 0.00 -0.74 0.00 0.00 36.82 37.29 2wf8 h ILE 56 CO -0.07 0.26 0.25 -0.07 0.00 0.00 0.00 178.15 178.52 2wf8 h LEU 57 N 0.17 0.68 -0.40 1.44 3.38 -0.86 -2.90 115.31 116.81 2wf8 h LEU 57 Ca 0.07 -0.06 -0.17 0.00 0.09 0.00 0.00 57.88 57.80 2wf8 h LEU 57 Cb 0.37 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 2wf8 h LEU 57 CO 0.01 0.58 -0.55 0.44 0.09 0.00 0.00 178.44 179.01 2wf8 h ASP 58 N 0.75 0.81 -0.88 -0.43 3.32 -0.79 0.13 116.42 119.35 2wf8 h ASP 58 Ca 0.19 -0.44 0.23 0.00 0.02 0.00 0.00 57.03 57.03 2wf8 h ASP 58 Cb 0.09 -0.23 -0.14 0.00 0.22 0.00 0.00 39.33 39.26 2wf8 h ASP 58 CO -0.02 1.20 0.23 0.25 -1.72 0.00 0.00 179.24 179.17 2wf8 h LEU 59 N 0.56 -0.01 -1.83 1.55 5.85 -0.99 0.17 115.31 120.61 2wf8 h LEU 59 Ca 0.01 0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.93 2wf8 h LEU 59 Cb 1.13 0.27 0.00 0.00 0.37 0.00 0.00 40.66 42.43 2wf8 h LEU 59 CO 0.11 -0.16 0.00 0.00 -0.34 0.00 0.00 178.44 178.06 2wf8 n ALA 60 N -2.71 2.47 -3.85 1.25 0.00 -1.09 -4.96 120.51 111.61 2wf8 n ALA 60 Ca 0.21 -0.76 -0.30 0.00 0.00 0.00 0.00 53.44 52.59 2wf8 n ALA 60 Cb 0.68 -0.93 0.01 0.00 0.00 0.00 0.00 19.45 19.20 2wf8 n ALA 60 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2wf8 n ASP 61 N 1.08 -2.73 -4.51 0.00 4.64 0.05 -4.97 116.55 110.10 2wf8 n ASP 61 Ca 0.17 -1.04 -0.34 0.00 -1.38 0.00 0.00 54.79 52.21 2wf8 n ASP 61 Cb 0.52 -3.07 -0.12 0.00 -1.04 0.00 0.00 41.12 37.42 2wf8 n ASP 61 CO 0.00 0.00 0.00 -0.75 -0.82 0.00 0.00 177.20 175.63 2wf8 s LYS 62 N -6.39 3.37 -0.10 -0.67 2.20 0.39 -5.01 119.74 113.52 2wf8 s LYS 62 Ca 0.24 -0.55 -0.03 0.00 -0.36 0.00 0.00 55.97 55.28 2wf8 s LYS 62 Cb -0.10 -2.78 -0.03 0.00 -1.51 0.00 0.00 37.83 33.41 2wf8 s LYS 62 CO 0.88 0.37 0.01 0.15 -0.36 0.00 0.00 175.35 176.40 2wf8 s LYS 63 N 0.00 3.16 0.25 4.03 1.02 -1.26 -4.61 119.74 122.33 2wf8 s LYS 63 Ca -0.00 -0.40 0.06 0.00 0.02 0.00 0.00 55.97 55.66 2wf8 s LYS 63 Cb -0.13 -2.86 -0.05 0.00 -0.52 0.00 0.00 37.83 34.26 2wf8 s LYS 63 CO 0.03 0.63 -0.08 0.14 -0.92 0.00 0.00 175.35 175.15 2wf8 s VAL 64 N -0.67 1.58 0.82 3.17 -7.23 -1.26 -5.14 120.40 111.66 2wf8 s VAL 64 Ca 0.11 -2.14 -0.11 0.00 -1.81 0.00 0.00 61.98 58.04 2wf8 s VAL 64 Cb -0.12 -2.31 0.09 0.00 0.56 0.00 0.00 36.38 34.61 2wf8 s VAL 64 CO 0.02 -0.40 1.10 -0.94 -0.31 0.00 0.00 175.10 174.57 2wf8 s SER 65 N -3.38 3.99 0.29 4.85 1.04 -1.26 -4.82 113.70 114.41 2wf8 s SER 65 Ca 0.27 1.84 -0.02 0.00 0.48 0.00 0.00 55.95 58.51 2wf8 s SER 65 Cb 0.03 -2.47 0.43 0.00 0.10 0.00 0.00 66.02 64.10 2wf8 s SER 65 CO 0.10 -2.37 1.95 0.00 0.98 0.00 0.00 173.24 173.90 2wf8 h ALA 66 N -1.36 1.41 -0.34 5.32 0.00 -2.01 0.90 119.26 123.18 2wf8 h ALA 66 Ca -0.45 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 2wf8 h ALA 66 Cb 1.25 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2wf8 h ALA 66 CO 0.50 0.52 0.12 1.49 0.00 0.00 0.00 179.25 181.88 2wf8 h GLU 67 N 1.15 0.52 -0.62 0.00 4.81 -2.00 -2.14 114.58 116.30 2wf8 h GLU 67 Ca 0.34 -0.11 -0.08 0.00 -0.13 0.00 0.00 59.36 59.38 2wf8 h GLU 67 Cb -0.05 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.23 2wf8 h GLU 67 CO -0.09 0.54 0.06 1.49 -0.73 0.00 0.00 179.01 180.28 2wf8 h GLU 68 N 0.40 1.03 -0.18 1.92 4.81 -1.78 -1.71 114.58 119.08 2wf8 h GLU 68 Ca 0.11 -0.29 0.03 0.00 -0.13 0.00 0.00 59.36 59.08 2wf8 h GLU 68 Cb 0.23 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 2wf8 h GLU 68 CO -0.01 0.97 0.02 0.35 -0.73 0.00 0.00 179.01 179.62 2wf8 h PHE 69 N 0.96 0.03 -0.44 0.92 3.57 -0.57 0.15 116.94 121.56 2wf8 h PHE 69 Ca 0.19 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.75 2wf8 h PHE 69 Cb 0.47 0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.17 2wf8 h PHE 69 CO 0.03 0.00 0.17 -0.22 -2.23 0.00 0.00 178.31 176.06 2wf8 h LYS 70 N 0.09 0.33 -0.69 1.11 3.64 -1.23 -1.71 116.57 118.10 2wf8 h LYS 70 Ca 0.08 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.39 2wf8 h LYS 70 Cb 0.09 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.80 2wf8 h LYS 70 CO -0.12 0.22 0.21 0.93 -2.27 0.00 0.00 179.45 178.42 2wf8 h GLU 71 N 0.34 1.07 -0.36 1.90 5.08 -0.64 -1.75 114.58 120.22 2wf8 h GLU 71 Ca 0.21 -0.22 -0.08 0.00 -1.00 0.00 0.00 59.36 58.27 2wf8 h GLU 71 Cb 0.19 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 2wf8 h GLU 71 CO -0.20 0.91 -0.09 -0.07 -1.00 0.00 0.00 179.01 178.56 2wf8 h LEU 72 N 1.03 0.70 -0.67 1.33 3.38 -0.36 0.36 115.31 121.07 2wf8 h LEU 72 Ca 0.23 -0.37 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 2wf8 h LEU 72 Cb 0.29 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 2wf8 h LEU 72 CO -0.01 0.90 0.26 0.00 0.09 0.00 0.00 178.44 179.69 2wf8 h ALA 73 N 0.82 0.87 -0.75 1.53 0.00 -1.20 -1.23 119.26 119.29 2wf8 h ALA 73 Ca 0.09 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 2wf8 h ALA 73 Cb 0.60 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 2wf8 h ALA 73 CO 0.04 0.49 0.29 -0.22 0.00 0.00 0.00 179.25 179.85 2wf8 h LYS 74 N 0.95 1.13 -0.18 0.00 3.64 -1.20 -1.37 116.57 119.54 2wf8 h LYS 74 Ca 0.22 -0.21 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 2wf8 h LYS 74 Cb 0.22 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 2wf8 h LYS 74 CO -0.02 0.93 0.07 -0.09 -2.27 0.00 0.00 179.45 178.07 2wf8 h ARG 75 N 1.09 0.27 -0.55 1.90 2.43 -0.51 0.15 114.38 119.15 2wf8 h ARG 75 Ca 0.25 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.34 2wf8 h ARG 75 Cb 0.23 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 2wf8 h ARG 75 CO -0.02 0.35 0.25 -0.22 -1.51 0.00 0.00 179.97 178.82 2wf8 h LYS 76 N 0.13 0.81 -0.65 0.20 3.11 -1.17 -2.06 116.57 116.94 2wf8 h LYS 76 Ca 0.06 -0.13 -0.06 0.00 -2.81 0.00 0.00 60.65 57.70 2wf8 h LYS 76 Cb 0.18 -0.14 -0.03 0.00 -1.00 0.00 0.00 32.23 31.25 2wf8 h LYS 76 CO -0.00 0.69 0.16 -0.97 -2.81 0.00 0.00 179.45 176.51 2wf8 h ASN 77 N 0.75 0.98 -0.81 4.20 -1.24 -0.95 -0.01 115.58 118.50 2wf8 h ASN 77 Ca 0.19 -0.23 0.01 0.00 0.71 0.00 0.00 56.30 56.98 2wf8 h ASN 77 Cb 0.16 -0.26 -0.04 0.00 0.73 0.00 0.00 38.32 38.91 2wf8 h ASN 77 CO -0.02 0.96 0.53 0.44 -1.29 0.00 0.00 177.43 178.05 2wf8 h ASP 78 N 0.96 0.92 -0.06 1.15 3.32 -0.50 0.11 116.42 122.32 2wf8 h ASP 78 Ca 0.20 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.23 2wf8 h ASP 78 Cb 0.36 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.68 2wf8 h ASP 78 CO 0.00 0.66 0.02 -1.13 -1.72 0.00 0.00 179.24 177.07 2wf8 h ASN 79 N 1.08 0.08 -0.50 6.45 -1.24 -1.05 -2.02 115.58 118.39 2wf8 h ASN 79 Ca 0.30 -0.18 0.02 0.00 0.71 0.00 0.00 56.30 57.15 2wf8 h ASN 79 Cb -0.10 -0.02 -0.03 0.00 0.73 0.00 0.00 38.32 38.90 2wf8 h ASN 79 CO -0.08 0.24 0.30 0.22 -1.29 0.00 0.00 177.43 176.83 2wf8 h TYR 80 N -0.08 0.57 -0.69 0.67 3.20 -0.66 -0.51 116.97 119.47 2wf8 h TYR 80 Ca 0.02 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.87 2wf8 h TYR 80 Cb 0.19 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.24 2wf8 h TYR 80 CO -0.01 0.33 0.29 0.28 -1.64 0.00 0.00 178.16 177.41 2wf8 h VAL 81 N 0.61 1.23 -0.49 1.81 2.07 -0.75 -1.69 116.25 119.04 2wf8 h VAL 81 Ca 0.20 -0.71 -0.04 0.00 0.82 0.00 0.00 66.70 66.96 2wf8 h VAL 81 Cb -0.00 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.14 2wf8 h VAL 81 CO -0.08 0.29 0.14 0.11 0.02 0.00 0.00 177.57 178.05 2wf8 h LYS 82 N 0.99 0.77 -1.00 1.57 1.57 -0.88 -3.04 116.57 116.55 2wf8 h LYS 82 Ca 0.23 -0.17 0.16 0.00 -1.87 0.00 0.00 60.65 59.00 2wf8 h LYS 82 Cb 0.17 -0.11 -0.10 0.00 0.08 0.00 0.00 32.23 32.27 2wf8 h LYS 82 CO -0.02 0.73 0.62 1.98 -0.57 0.00 0.00 179.45 182.19 2wf8 h MET 83 N 0.67 0.83 -0.20 3.15 4.05 -0.24 -2.85 114.93 120.34 2wf8 h MET 83 Ca 0.16 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.53 2wf8 h MET 83 Cb 0.29 -0.19 0.00 0.00 -0.80 0.00 0.00 31.60 30.90 2wf8 h MET 83 CO -0.00 0.55 0.00 0.44 0.23 0.00 0.00 176.91 178.13 2wf8 n ILE 84 N -4.71 0.25 0.00 1.77 -5.35 -0.76 -4.35 119.36 106.21 2wf8 n ILE 84 Ca 0.22 -0.44 0.03 0.00 -0.27 0.00 0.00 62.75 62.29 2wf8 n ILE 84 Cb 0.49 0.58 0.40 0.00 -1.74 0.00 0.00 39.64 39.37 2wf8 n ILE 84 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 2wf8 h GLN 85 N 2.87 0.53 -0.14 6.28 1.08 -1.48 -2.15 115.11 122.09 2wf8 h GLN 85 Ca 0.00 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 2wf8 h GLN 85 Cb 0.63 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.95 2wf8 h GLN 85 CO 0.00 0.39 0.00 -0.25 -0.95 0.00 0.00 178.83 178.02 2wf8 n ASP 86 N -4.44 1.84 -4.66 1.46 10.43 -1.26 -4.91 116.55 115.02 2wf8 n ASP 86 Ca 0.03 -1.69 -0.44 0.00 2.57 0.00 0.00 54.79 55.26 2wf8 n ASP 86 Cb 0.10 -0.08 -0.01 0.00 1.84 0.00 0.00 41.12 42.96 2wf8 n ASP 86 CO 0.00 0.00 0.00 0.52 -1.07 0.00 0.00 177.20 176.65 2wf8 n VAL 87 N 0.44 1.73 -4.23 2.53 0.31 -0.81 -4.99 118.33 113.31 2wf8 n VAL 87 Ca 0.17 -0.43 -0.18 0.00 -0.01 0.00 0.00 64.34 63.89 2wf8 n VAL 87 Cb 0.37 -1.37 -0.07 0.00 -0.91 0.00 0.00 33.84 31.86 2wf8 n VAL 87 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2wf8 s SER 88 N -0.23 1.37 0.60 4.52 1.04 -1.26 -4.66 113.70 115.08 2wf8 s SER 88 Ca 0.60 -1.66 0.31 0.00 0.48 0.00 0.00 55.95 55.67 2wf8 s SER 88 Cb -0.63 0.57 1.78 0.00 0.10 0.00 0.00 66.02 67.84 2wf8 s SER 88 CO 0.59 -1.11 2.15 -0.65 0.98 0.00 0.00 173.24 175.20 2wf8 h PRO 89 N 2.16 0.00 0.00 4.02 0.11 -1.74 -0.64 132.00 135.92 2wf8 h PRO 89 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 2wf8 h PRO 89 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2wf8 h PRO 89 CO 0.38 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.17 2wf8 h ALA 90 N 1.82 1.00 -0.01 -0.75 0.00 -1.93 -2.50 119.26 116.89 2wf8 h ALA 90 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2wf8 h ALA 90 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2wf8 h ALA 90 CO -0.00 0.00 -0.25 -0.25 0.00 0.00 0.00 179.25 178.75 2wf8 n ASP 91 N -2.55 1.21 -4.75 0.00 10.43 -0.25 -4.90 116.55 115.74 2wf8 n ASP 91 Ca 0.00 -1.03 -0.42 0.00 2.57 0.00 0.00 54.79 55.92 2wf8 n ASP 91 Cb 0.19 0.16 -0.02 0.00 1.84 0.00 0.00 41.12 43.29 2wf8 n ASP 91 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 2wf8 s VAL 92 N -2.44 2.19 0.65 2.53 1.01 -0.94 -4.45 120.40 118.94 2wf8 s VAL 92 Ca 0.25 0.15 -0.17 0.00 0.00 0.00 0.00 61.98 62.21 2wf8 s VAL 92 Cb 0.19 -3.10 -0.01 0.00 0.00 0.00 0.00 36.38 33.47 2wf8 s VAL 92 CO 0.50 0.02 1.21 -0.31 0.00 0.00 0.00 175.10 176.52 2wf8 s TYR 93 N 0.15 2.27 0.30 5.22 4.12 -0.13 -4.92 117.35 124.37 2wf8 s TYR 93 Ca 0.64 1.54 -0.29 0.00 0.02 0.00 0.00 57.07 58.98 2wf8 s TYR 93 Cb -0.47 -3.47 -0.13 0.00 -1.52 0.00 0.00 41.96 36.38 2wf8 s TYR 93 CO 0.45 -2.36 1.31 -2.30 0.02 0.00 0.00 175.55 172.67 2wf8 n PRO 94 N -2.07 2.04 0.00 -1.71 -0.02 -1.26 -2.35 135.00 129.62 2wf8 n PRO 94 Ca 0.13 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 2wf8 n PRO 94 Cb 0.50 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 2wf8 n PRO 94 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wf8 n GLY 95 N 1.29 3.12 0.12 -1.23 0.00 -1.26 -2.97 105.19 104.26 2wf8 n GLY 95 Ca 0.07 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 2wf8 n GLY 95 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2wf8 h ILE 96 N 0.00 1.38 -0.53 -0.61 1.08 -1.73 -1.08 117.51 116.02 2wf8 h ILE 96 Ca 0.00 -1.39 0.00 0.00 -0.39 0.00 0.00 64.86 63.08 2wf8 h ILE 96 Cb 0.00 2.07 -0.03 0.00 -3.07 0.00 0.00 36.82 35.79 2wf8 h ILE 96 CO 0.00 0.40 0.35 0.25 -0.69 0.00 0.00 178.15 178.45 2wf8 h LEU 97 N -0.17 0.62 -0.69 1.44 5.85 -1.90 -1.28 115.31 119.18 2wf8 h LEU 97 Ca 0.01 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 2wf8 h LEU 97 Cb 0.71 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 2wf8 h LEU 97 CO 0.03 0.46 0.37 -0.61 -0.34 0.00 0.00 178.44 178.36 2wf8 h GLN 98 N 0.72 0.97 -0.27 1.25 4.15 -1.93 -1.69 115.11 118.31 2wf8 h GLN 98 Ca 0.19 -0.12 0.03 0.00 0.77 0.00 0.00 58.65 59.53 2wf8 h GLN 98 Cb -0.07 -0.19 -0.03 0.00 0.21 0.00 0.00 27.48 27.40 2wf8 h GLN 98 CO -0.04 0.73 0.09 1.25 -1.93 0.00 0.00 178.83 178.93 2wf8 h LEU 99 N 0.95 0.09 -0.52 -2.39 5.85 -0.83 0.22 115.31 118.69 2wf8 h LEU 99 Ca 0.24 0.03 0.05 0.00 0.84 0.00 0.00 57.88 59.04 2wf8 h LEU 99 Cb 0.05 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.05 2wf8 h LEU 99 CO -0.04 0.09 0.26 -0.07 -0.34 0.00 0.00 178.44 178.34 2wf8 h LEU 100 N 0.21 0.37 -0.57 2.25 3.38 -0.90 0.12 115.31 120.18 2wf8 h LEU 100 Ca 0.12 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 2wf8 h LEU 100 Cb 0.09 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 2wf8 h LEU 100 CO -0.13 0.26 0.30 0.11 0.09 0.00 0.00 178.44 179.07 2wf8 h LYS 101 N 0.51 0.80 -0.34 1.13 1.57 -0.84 -1.82 116.57 117.58 2wf8 h LYS 101 Ca 0.23 -0.10 -0.13 0.00 -1.87 0.00 0.00 60.65 58.78 2wf8 h LYS 101 Cb 0.15 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 2wf8 h LYS 101 CO -0.17 0.62 -0.33 -0.44 -0.57 0.00 0.00 179.45 178.57 2wf8 h ASP 102 N 0.77 0.79 -0.30 0.86 3.45 -0.09 -1.14 116.42 120.75 2wf8 h ASP 102 Ca 0.20 -0.33 -0.01 0.00 0.43 0.00 0.00 57.03 57.32 2wf8 h ASP 102 Cb 0.06 -0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 38.60 2wf8 h ASP 102 CO -0.03 1.05 0.15 -0.07 -1.57 0.00 0.00 179.24 178.77 2wf8 h LEU 103 N 0.63 0.39 -0.82 1.55 3.38 -0.63 -2.07 115.31 117.75 2wf8 h LEU 103 Ca 0.07 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 2wf8 h LEU 103 Cb 0.86 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.48 2wf8 h LEU 103 CO 0.08 0.40 0.40 0.03 0.09 0.00 0.00 178.44 179.44 2wf8 h ARG 104 N 0.36 1.18 -0.14 1.13 3.08 -1.11 -0.92 114.38 117.97 2wf8 h ARG 104 Ca 0.10 -0.17 -0.00 0.00 0.07 0.00 0.00 59.98 59.98 2wf8 h ARG 104 Cb 0.11 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 2wf8 h ARG 104 CO -0.01 0.91 0.07 0.77 -1.07 0.00 0.00 179.97 180.64 2wf8 h SER 105 N 1.17 0.16 -0.62 7.04 0.02 -0.94 -2.02 113.55 118.36 2wf8 h SER 105 Ca 0.28 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 2wf8 h SER 105 Cb 0.11 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.61 2wf8 h SER 105 CO -0.04 0.13 0.00 0.59 -1.14 0.00 0.00 176.83 176.37 2wf8 n ASN 106 N -4.50 4.02 -2.92 3.07 3.02 -0.77 -4.95 115.26 112.24 2wf8 n ASN 106 Ca -0.01 -2.24 -0.22 0.00 -0.03 0.00 0.00 54.58 52.08 2wf8 n ASN 106 Cb 0.09 -0.51 0.02 0.00 -0.61 0.00 0.00 39.78 38.78 2wf8 n ASN 106 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2wf8 n LYS 107 N 1.18 -4.16 -3.53 3.52 5.02 -0.76 -4.98 118.16 114.44 2wf8 n LYS 107 Ca 0.23 0.89 -0.37 0.00 -2.02 0.00 0.00 58.31 57.04 2wf8 n LYS 107 Cb 0.71 -5.71 -0.08 0.00 -0.02 0.00 0.00 35.03 29.94 2wf8 n LYS 107 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2wf8 s ILE 108 N -3.13 5.29 0.58 -0.18 1.01 -0.42 -4.99 121.20 119.36 2wf8 s ILE 108 Ca 0.25 0.47 -0.19 0.00 0.00 0.00 0.00 60.65 61.19 2wf8 s ILE 108 Cb -0.11 -3.62 -0.04 0.00 0.01 0.00 0.00 42.46 38.70 2wf8 s ILE 108 CO 0.31 0.33 1.15 -0.54 0.00 0.00 0.00 174.94 176.19 2wf8 s LYS 109 N 0.90 3.15 -0.11 2.79 -0.14 -0.44 -4.26 119.74 121.64 2wf8 s LYS 109 Ca 0.14 1.64 0.00 0.00 -1.36 0.00 0.00 55.97 56.40 2wf8 s LYS 109 Cb -0.14 -1.97 0.02 0.00 -1.68 0.00 0.00 37.83 34.06 2wf8 s LYS 109 CO 0.05 -1.02 -0.11 0.42 -0.76 0.00 0.00 175.35 173.94 2wf8 s ILE 110 N -1.81 1.21 0.04 2.17 1.01 -1.26 -0.83 121.20 121.73 2wf8 s ILE 110 Ca 0.73 -0.43 0.04 0.00 0.00 0.00 0.00 60.65 60.99 2wf8 s ILE 110 Cb -0.25 -1.17 -0.02 0.00 0.01 0.00 0.00 42.46 41.03 2wf8 s ILE 110 CO 0.31 0.39 -0.11 0.00 0.00 0.00 0.00 174.94 175.53 2wf8 s ALA 111 N 1.42 0.92 -0.09 9.38 0.00 -0.80 -0.27 121.76 132.32 2wf8 s ALA 111 Ca 0.01 -0.75 -0.18 0.00 0.00 0.00 0.00 51.96 51.04 2wf8 s ALA 111 Cb -0.13 -0.11 -0.05 0.00 0.00 0.00 0.00 23.12 22.84 2wf8 s ALA 111 CO -0.06 0.14 0.48 -1.17 0.00 0.00 0.00 175.76 175.15 2wf8 s LEU 112 N -1.17 4.32 -0.47 0.00 2.96 -0.29 -0.58 118.68 123.46 2wf8 s LEU 112 Ca -0.02 0.87 0.09 0.00 -0.22 0.00 0.00 54.13 54.85 2wf8 s LEU 112 Cb -0.08 -2.70 0.36 0.00 0.50 0.00 0.00 46.19 44.27 2wf8 s LEU 112 CO 0.01 0.06 0.87 0.00 -1.32 0.00 0.00 176.35 175.97 2wf8 n ALA 113 N 3.29 3.51 -2.55 5.97 0.00 0.67 -1.15 120.51 130.25 2wf8 n ALA 113 Ca -0.08 -4.04 -0.34 0.00 0.00 0.00 0.00 53.44 48.98 2wf8 n ALA 113 Cb 0.52 -0.81 -0.05 0.00 0.00 0.00 0.00 19.45 19.10 2wf8 n ALA 113 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2wf8 s SER 114 N -3.02 6.65 0.03 0.00 0.15 -1.26 -4.28 113.70 111.97 2wf8 s SER 114 Ca 0.44 0.82 0.22 0.00 0.70 0.00 0.00 55.95 58.12 2wf8 s SER 114 Cb 0.33 -2.19 0.91 0.00 -1.71 0.00 0.00 66.02 63.36 2wf8 s SER 114 CO -0.11 0.14 1.69 0.00 1.20 0.00 0.00 173.24 176.16 2wf8 n ALA 115 N 0.76 1.97 -2.72 5.45 0.00 -1.26 -4.42 120.51 120.29 2wf8 n ALA 115 Ca -0.07 -0.06 -0.38 0.00 0.00 0.00 0.00 53.44 52.93 2wf8 n ALA 115 Cb 0.52 -1.35 -0.06 0.00 0.00 0.00 0.00 19.45 18.56 2wf8 n ALA 115 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2wf8 s SER 116 N -3.17 6.72 0.19 0.00 0.15 -1.26 -4.75 113.70 111.59 2wf8 s SER 116 Ca 0.10 0.86 0.22 0.00 0.70 0.00 0.00 55.95 57.83 2wf8 s SER 116 Cb 0.14 -2.30 0.89 0.00 -1.71 0.00 0.00 66.02 63.03 2wf8 s SER 116 CO 0.40 -0.02 1.66 0.29 1.20 0.00 0.00 173.24 176.77 2wf8 n LYS 117 N 3.70 0.15 -0.06 5.44 5.02 -1.26 -2.07 118.16 129.07 2wf8 n LYS 117 Ca -0.06 0.36 0.09 0.00 -2.02 0.00 0.00 58.31 56.68 2wf8 n LYS 117 Cb 0.52 -1.77 0.37 0.00 -0.02 0.00 0.00 35.03 34.13 2wf8 n LYS 117 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2wf8 n ASN 118 N -2.04 1.13 0.05 4.39 3.02 -1.26 -4.48 115.26 116.06 2wf8 n ASN 118 Ca 0.03 -1.68 -0.12 0.00 -0.03 0.00 0.00 54.58 52.78 2wf8 n ASN 118 Cb 0.23 -0.08 -0.06 0.00 -0.61 0.00 0.00 39.78 39.25 2wf8 n ASN 118 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 2wf8 h GLY 119 N 5.21 -0.06 1.01 7.41 0.00 -1.82 -2.03 103.07 112.78 2wf8 h GLY 119 Ca 0.00 0.05 0.01 0.00 0.00 0.00 0.00 47.33 47.39 2wf8 h GLY 119 CO 0.00 -0.05 0.43 -2.55 0.00 0.00 0.00 176.54 174.37 2wf8 h PRO 120 N -0.09 0.88 -0.63 4.80 0.11 -1.85 -0.77 132.00 134.46 2wf8 h PRO 120 Ca 0.01 -0.06 0.04 0.00 0.11 0.00 0.00 66.00 66.11 2wf8 h PRO 120 Cb 0.10 -0.20 -0.05 0.00 0.11 0.00 0.00 31.00 30.97 2wf8 h PRO 120 CO -0.03 0.59 0.37 0.35 -0.21 0.00 0.00 178.00 179.06 2wf8 h PHE 121 N 0.90 0.68 -0.65 0.65 3.57 -1.84 -1.94 116.94 118.32 2wf8 h PHE 121 Ca 0.24 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.68 2wf8 h PHE 121 Cb -0.09 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.41 2wf8 h PHE 121 CO -0.03 0.36 0.09 -0.07 -2.23 0.00 0.00 178.31 176.44 2wf8 h LEU 122 N 0.71 1.05 -1.12 0.59 3.38 -0.70 -0.26 115.31 118.96 2wf8 h LEU 122 Ca 0.27 -0.27 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 2wf8 h LEU 122 Cb 0.09 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 2wf8 h LEU 122 CO -0.14 1.05 0.24 -0.07 0.09 0.00 0.00 178.44 179.61 2wf8 h LEU 123 N 1.01 0.78 -0.36 1.67 3.38 -0.90 -1.65 115.31 119.24 2wf8 h LEU 123 Ca 0.20 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 2wf8 h LEU 123 Cb 0.46 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2wf8 h LEU 123 CO 0.02 0.70 0.04 -0.33 0.09 0.00 0.00 178.44 178.96 2wf8 h GLU 124 N 0.85 0.60 -0.89 1.13 4.39 -0.98 0.56 114.58 120.24 2wf8 h GLU 124 Ca 0.20 -0.17 0.12 0.00 0.34 0.00 0.00 59.36 59.85 2wf8 h GLU 124 Cb 0.16 -0.07 -0.07 0.00 -0.10 0.00 0.00 28.75 28.68 2wf8 h GLU 124 CO -0.02 0.69 0.57 0.00 -1.16 0.00 0.00 179.01 179.09 2wf8 h ARG 125 N 0.43 0.77 -0.19 2.33 2.47 -0.51 -2.00 114.38 117.69 2wf8 h ARG 125 Ca 0.11 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.78 2wf8 h ARG 125 Cb 0.39 -0.17 0.00 0.00 -1.65 0.00 0.00 29.97 28.53 2wf8 h ARG 125 CO 0.01 0.51 0.00 -1.33 0.56 0.00 0.00 179.97 179.72 2wf8 n MET 126 N -4.55 1.89 -3.74 0.04 2.81 -0.67 -3.55 117.12 109.35 2wf8 n MET 126 Ca 0.16 -1.34 -0.25 0.00 -1.81 0.00 0.00 57.70 54.47 2wf8 n MET 126 Cb 0.38 -1.43 0.04 0.00 -0.71 0.00 0.00 33.22 31.51 2wf8 n MET 126 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 2wf8 n ASN 127 N 0.57 -3.47 -0.00 7.83 4.13 -0.75 -4.27 115.26 119.30 2wf8 n ASN 127 Ca 0.17 -0.74 0.04 0.00 1.68 0.00 0.00 54.58 55.73 2wf8 n ASN 127 Cb 0.39 -4.25 -0.05 0.00 -1.54 0.00 0.00 39.78 34.33 2wf8 n ASN 127 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2wf8 n LEU 128 N -4.54 0.31 -0.32 3.41 4.77 0.13 -4.74 117.00 116.03 2wf8 n LEU 128 Ca -0.12 -0.42 0.10 0.00 -0.03 0.00 0.00 56.01 55.54 2wf8 n LEU 128 Cb 0.60 0.00 0.26 0.00 -2.33 0.00 0.00 43.42 41.95 2wf8 n LEU 128 CO 0.70 0.08 1.13 0.74 -1.33 0.00 0.00 177.39 178.70 2wf8 h THR 129 N 0.00 0.70 0.00 -5.08 2.02 -1.90 -1.03 112.91 107.61 2wf8 h THR 129 Ca 0.00 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 66.96 2wf8 h THR 129 Cb 0.21 -0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.61 2wf8 h THR 129 CO 0.00 0.12 0.00 0.61 0.37 0.00 0.00 175.52 176.62 2wf8 n GLY 130 N -1.33 -1.10 0.14 2.16 0.00 -1.26 -1.57 105.19 102.23 2wf8 n GLY 130 Ca 0.20 0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.41 2wf8 n GLY 130 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2wf8 h TYR 131 N 0.00 0.00 -3.46 1.61 -1.99 -1.53 -3.46 116.97 108.15 2wf8 h TYR 131 Ca 0.00 0.00 -0.60 0.00 2.00 0.00 0.00 58.73 60.13 2wf8 h TYR 131 Cb 0.25 0.00 -0.11 0.00 2.00 0.00 0.00 36.73 38.87 2wf8 h TYR 131 CO 0.00 0.00 -0.24 -0.06 -0.00 0.00 0.00 178.16 177.86 2wf8 s PHE 132 N -3.18 3.39 -0.00 4.88 0.40 -0.61 -4.72 117.98 118.13 2wf8 s PHE 132 Ca 0.07 0.59 0.15 0.00 -0.60 0.00 0.00 56.93 57.14 2wf8 s PHE 132 Cb 0.10 -2.48 0.21 0.00 0.51 0.00 0.00 43.02 41.35 2wf8 s PHE 132 CO 0.67 0.04 1.51 -0.44 0.70 0.00 0.00 175.22 177.69 2wf8 h ASP 133 N 7.27 0.00 -5.02 1.36 5.19 -0.94 -3.47 116.42 120.81 2wf8 h ASP 133 Ca -0.37 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 55.98 2wf8 h ASP 133 Cb 1.16 0.00 -0.16 0.00 0.18 0.00 0.00 39.33 40.51 2wf8 h ASP 133 CO 0.72 0.55 0.06 0.00 -3.12 0.00 0.00 179.24 177.45 2wf8 s ALA 134 N -3.12 -1.37 -0.18 3.45 0.00 -1.08 -4.93 121.76 114.52 2wf8 s ALA 134 Ca 0.02 0.64 0.01 0.00 0.00 0.00 0.00 51.96 52.63 2wf8 s ALA 134 Cb 0.09 0.39 0.03 0.00 0.00 0.00 0.00 23.12 23.63 2wf8 s ALA 134 CO 0.74 -0.52 -0.15 0.42 0.00 0.00 0.00 175.76 176.25 2wf8 s ILE 135 N -2.46 1.80 -0.26 0.00 1.01 -1.26 -1.14 121.20 118.89 2wf8 s ILE 135 Ca -0.05 -0.89 -0.29 0.00 0.00 0.00 0.00 60.65 59.42 2wf8 s ILE 135 Cb -0.01 -1.71 0.00 0.00 0.01 0.00 0.00 42.46 40.75 2wf8 s ILE 135 CO -0.02 0.40 1.16 0.00 0.00 0.00 0.00 174.94 176.48 2wf8 s ALA 136 N 1.37 3.55 -0.29 9.38 0.00 -0.30 -4.94 121.76 130.54 2wf8 s ALA 136 Ca 0.03 0.15 -0.29 0.00 0.00 0.00 0.00 51.96 51.85 2wf8 s ALA 136 Cb -0.14 -3.66 -0.00 0.00 0.00 0.00 0.00 23.12 19.32 2wf8 s ALA 136 CO -0.11 -1.38 1.31 0.34 0.00 0.00 0.00 175.76 175.93 2wf8 s ASP 137 N 1.87 6.68 0.35 0.00 -1.08 -1.26 -4.60 116.67 118.63 2wf8 s ASP 137 Ca 0.50 1.25 0.26 0.00 -0.52 0.00 0.00 52.55 54.04 2wf8 s ASP 137 Cb -0.16 -2.54 1.19 0.00 -1.46 0.00 0.00 42.92 39.95 2wf8 s ASP 137 CO 0.15 -1.07 1.80 1.55 0.52 0.00 0.00 175.17 178.12 2wf8 h PRO 138 N 9.28 0.00 0.00 4.34 0.13 -1.89 -0.86 132.00 143.00 2wf8 h PRO 138 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 2wf8 h PRO 138 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2wf8 h PRO 138 CO 1.03 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.80 2wf8 n ALA 139 N -1.85 2.23 0.03 -0.56 0.00 -1.26 -3.83 120.51 115.26 2wf8 n ALA 139 Ca 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2wf8 n ALA 139 Cb 0.19 -1.45 -0.08 0.00 0.00 0.00 0.00 19.45 18.11 2wf8 n ALA 139 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2wf8 n GLU 140 N -1.81 0.62 -2.45 0.00 -0.58 -0.33 -4.93 120.64 111.16 2wf8 n GLU 140 Ca 0.06 0.21 -0.35 0.00 -0.42 0.00 0.00 57.16 56.66 2wf8 n GLU 140 Cb 0.35 -1.80 -0.03 0.00 -0.57 0.00 0.00 31.44 29.40 2wf8 n GLU 140 CO 0.00 0.00 0.00 0.14 -0.48 0.00 0.00 177.13 176.79 2wf8 s VAL 141 N -2.95 3.56 -0.12 2.62 -7.23 -1.24 -4.96 120.40 110.09 2wf8 s VAL 141 Ca -0.03 1.05 0.21 0.00 -1.81 0.00 0.00 61.98 61.41 2wf8 s VAL 141 Cb 0.09 -3.47 0.22 0.00 0.56 0.00 0.00 36.38 33.77 2wf8 s VAL 141 CO 0.81 -0.13 1.65 0.00 -0.31 0.00 0.00 175.10 177.12 2wf8 h ALA 142 N 1.79 0.89 -3.23 1.32 0.00 -1.91 -3.44 119.26 114.67 2wf8 h ALA 142 Ca -0.49 -0.22 -0.26 0.00 0.00 0.00 0.00 54.91 53.93 2wf8 h ALA 142 Cb 1.23 -0.04 -0.33 0.00 0.00 0.00 0.00 17.79 18.65 2wf8 h ALA 142 CO 0.60 0.31 -0.62 0.00 0.00 0.00 0.00 179.25 179.53 2wf8 s ALA 143 N -3.30 -0.21 0.68 0.00 0.00 -1.26 -5.17 121.76 112.50 2wf8 s ALA 143 Ca 0.03 0.62 -0.02 0.00 0.00 0.00 0.00 51.96 52.60 2wf8 s ALA 143 Cb 0.08 -0.54 0.09 0.00 0.00 0.00 0.00 23.12 22.76 2wf8 s ALA 143 CO 0.68 -0.26 0.95 -1.54 0.00 0.00 0.00 175.76 175.58 2wf8 s SER 144 N 1.46 4.62 0.30 0.00 1.04 -1.26 -4.30 113.70 115.57 2wf8 s SER 144 Ca -0.06 -0.13 -0.29 0.00 0.48 0.00 0.00 55.95 55.94 2wf8 s SER 144 Cb -0.12 -0.41 -0.13 0.00 0.10 0.00 0.00 66.02 65.46 2wf8 s SER 144 CO -0.06 -1.66 1.34 0.29 0.98 0.00 0.00 173.24 174.14 2wf8 n LYS 145 N -2.74 2.11 -0.05 4.02 5.02 -1.26 -1.02 118.16 124.24 2wf8 n LYS 145 Ca 0.12 0.74 0.08 0.00 -2.02 0.00 0.00 58.31 57.24 2wf8 n LYS 145 Cb 0.60 -2.36 0.38 0.00 -0.02 0.00 0.00 35.03 33.64 2wf8 n LYS 145 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 2wf8 n PRO 146 N 1.14 1.34 -1.84 1.97 -0.04 -1.26 -4.64 135.00 131.68 2wf8 n PRO 146 Ca 0.07 -0.52 -0.38 0.00 -0.04 0.00 0.00 63.50 62.63 2wf8 n PRO 146 Cb 0.34 -1.29 0.04 0.00 -0.04 0.00 0.00 33.50 32.55 2wf8 n PRO 146 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wf8 s ALA 147 N -1.88 2.81 -1.34 0.55 0.00 -0.19 -2.80 121.76 118.91 2wf8 s ALA 147 Ca 0.26 1.28 0.25 0.00 0.00 0.00 0.00 51.96 53.75 2wf8 s ALA 147 Cb 0.13 -3.54 1.24 0.00 0.00 0.00 0.00 23.12 20.95 2wf8 s ALA 147 CO 0.20 -1.30 1.85 -0.35 0.00 0.00 0.00 175.76 176.16 2wf8 n PRO 148 N -1.03 0.29 -0.25 0.00 -0.04 -1.26 -4.40 135.00 128.31 2wf8 n PRO 148 Ca 0.10 0.05 0.06 0.00 -0.04 0.00 0.00 63.50 63.67 2wf8 n PRO 148 Cb 0.46 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.60 2wf8 n PRO 148 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 2wf8 h ASP 149 N 0.00 0.18 -0.45 3.54 5.19 -1.89 -1.05 116.42 121.94 2wf8 h ASP 149 Ca 0.00 0.12 -0.06 0.00 -0.62 0.00 0.00 57.03 56.48 2wf8 h ASP 149 Cb 0.28 0.13 -0.02 0.00 0.18 0.00 0.00 39.33 39.89 2wf8 h ASP 149 CO 0.00 0.05 0.09 -0.29 -3.12 0.00 0.00 179.24 175.97 2wf8 h ILE 150 N 0.37 1.23 -0.21 0.35 6.09 -1.77 0.64 117.51 124.22 2wf8 h ILE 150 Ca 0.42 -0.85 -0.20 0.00 -1.37 0.00 0.00 64.86 62.86 2wf8 h ILE 150 Cb 0.67 0.73 0.00 0.00 0.47 0.00 0.00 36.82 38.70 2wf8 h ILE 150 CO -0.45 0.31 -0.65 -0.26 -3.07 0.00 0.00 178.15 174.04 2wf8 h PHE 151 N 0.77 0.98 -0.43 2.19 -1.00 -1.54 -1.22 116.94 116.69 2wf8 h PHE 151 Ca 0.17 -0.39 -0.01 0.00 2.81 0.00 0.00 57.97 60.55 2wf8 h PHE 151 Cb 0.33 -0.17 -0.02 0.00 3.61 0.00 0.00 35.95 39.70 2wf8 h PHE 151 CO 0.02 1.20 0.25 0.82 -1.61 0.00 0.00 178.31 178.98 2wf8 h ILE 152 N 0.55 1.15 -0.64 -0.55 2.04 -1.11 -1.78 117.51 117.17 2wf8 h ILE 152 Ca -0.02 -0.36 -0.01 0.00 1.00 0.00 0.00 64.86 65.48 2wf8 h ILE 152 Cb 1.25 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 37.92 2wf8 h ILE 152 CO 0.13 0.15 0.38 0.00 0.00 0.00 0.00 178.15 178.81 2wf8 h ALA 153 N 1.10 0.82 -0.49 1.87 0.00 -0.81 -1.01 119.26 120.75 2wf8 h ALA 153 Ca 0.15 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2wf8 h ALA 153 Cb 0.03 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2wf8 h ALA 153 CO -0.03 0.31 0.30 0.00 0.00 0.00 0.00 179.25 179.84 2wf8 h ALA 154 N 1.19 0.63 -0.15 0.00 0.00 -1.01 -0.40 119.26 119.51 2wf8 h ALA 154 Ca 0.23 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2wf8 h ALA 154 Cb 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2wf8 h ALA 154 CO -0.04 0.11 0.07 0.00 0.00 0.00 0.00 179.25 179.39 2wf8 h ALA 155 N 1.14 0.19 -0.40 0.00 0.00 -1.16 -2.91 119.26 116.13 2wf8 h ALA 155 Ca 0.18 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 2wf8 h ALA 155 Cb -0.01 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2wf8 h ALA 155 CO -0.03 -0.25 0.12 0.45 0.00 0.00 0.00 179.25 179.54 2wf8 h HIS 156 N 0.11 0.58 0.00 0.00 3.86 -1.01 -1.86 115.15 116.84 2wf8 h HIS 156 Ca 0.05 -0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.21 2wf8 h HIS 156 Cb 0.12 -0.18 -0.00 0.00 1.06 0.00 0.00 27.41 28.41 2wf8 h HIS 156 CO -0.03 0.49 -0.11 0.00 0.86 0.00 0.00 177.93 179.14 2wf8 h ALA 157 N 1.56 1.20 -0.46 2.45 0.00 -0.87 -1.95 119.26 121.18 2wf8 h ALA 157 Ca 0.14 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2wf8 h ALA 157 Cb 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2wf8 h ALA 157 CO -0.01 0.14 0.00 1.33 0.00 0.00 0.00 179.25 180.71 2wf8 n VAL 158 N -3.50 1.13 -2.17 0.00 0.24 -0.84 -4.86 118.33 108.33 2wf8 n VAL 158 Ca -0.01 -1.07 -0.08 0.00 -2.04 0.00 0.00 64.34 61.14 2wf8 n VAL 158 Cb 0.25 0.43 -0.00 0.00 -1.47 0.00 0.00 33.84 33.05 2wf8 n VAL 158 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wf8 n GLY 159 N 0.78 0.05 3.19 7.63 0.00 -0.73 -4.99 105.19 111.12 2wf8 n GLY 159 Ca 0.16 -0.55 -0.25 0.00 0.00 0.00 0.00 46.02 45.38 2wf8 n GLY 159 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wf8 s VAL 160 N -2.41 1.47 0.39 1.61 1.01 -0.76 -5.02 120.40 116.69 2wf8 s VAL 160 Ca 0.01 -0.90 -0.26 0.00 0.00 0.00 0.00 61.98 60.83 2wf8 s VAL 160 Cb -0.00 -1.24 -0.09 0.00 0.00 0.00 0.00 36.38 35.05 2wf8 s VAL 160 CO 0.01 0.33 1.19 0.00 0.00 0.00 0.00 175.10 176.62 2wf8 s ALA 161 N -0.55 3.19 0.38 5.51 0.00 -1.26 -3.71 121.76 125.31 2wf8 s ALA 161 Ca 0.07 1.02 0.12 0.00 0.00 0.00 0.00 51.96 53.16 2wf8 s ALA 161 Cb -0.08 -3.40 0.91 0.00 0.00 0.00 0.00 23.12 20.56 2wf8 s ALA 161 CO 0.00 -0.57 1.87 -1.35 0.00 0.00 0.00 175.76 175.71 2wf8 h PRO 162 N 2.72 0.57 0.00 0.00 0.11 -1.90 -1.29 132.00 132.21 2wf8 h PRO 162 Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2wf8 h PRO 162 Cb 1.24 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2wf8 h PRO 162 CO 0.63 0.38 0.00 -1.13 -0.21 0.00 0.00 178.00 177.66 2wf8 n SER 163 N -4.55 0.33 -1.37 -2.05 3.41 -1.25 -1.32 113.62 106.82 2wf8 n SER 163 Ca 0.18 0.59 -0.02 0.00 -0.26 0.00 0.00 58.87 59.36 2wf8 n SER 163 Cb 0.54 -0.66 0.25 0.00 -0.26 0.00 0.00 64.21 64.07 2wf8 n SER 163 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2wf8 n GLU 164 N -1.88 2.72 -4.38 4.33 -0.58 -0.49 -4.87 120.64 115.49 2wf8 n GLU 164 Ca 0.02 -3.03 -0.25 0.00 -0.42 0.00 0.00 57.16 53.48 2wf8 n GLU 164 Cb 0.16 -1.96 -0.12 0.00 -0.57 0.00 0.00 31.44 28.96 2wf8 n GLU 164 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 2wf8 s SER 165 N -1.86 3.09 -0.10 1.62 0.01 -0.44 -0.44 113.70 115.58 2wf8 s SER 165 Ca 0.47 -0.84 -0.02 0.00 1.31 0.00 0.00 55.95 56.88 2wf8 s SER 165 Cb 0.40 -0.21 -0.03 0.00 0.21 0.00 0.00 66.02 66.39 2wf8 s SER 165 CO 0.07 0.07 -0.03 -0.63 0.41 0.00 0.00 173.24 173.13 2wf8 s ILE 166 N -1.69 4.05 -0.08 1.44 1.01 -0.65 -1.47 121.20 123.80 2wf8 s ILE 166 Ca 0.17 -0.33 0.01 0.00 0.00 0.00 0.00 60.65 60.50 2wf8 s ILE 166 Cb -0.08 -2.71 -0.03 0.00 0.01 0.00 0.00 42.46 39.66 2wf8 s ILE 166 CO 0.08 0.57 -0.11 -0.83 0.00 0.00 0.00 174.94 174.65 2wf8 s GLY 167 N -0.53 1.60 -0.18 6.18 0.00 0.17 -0.16 107.32 114.41 2wf8 s GLY 167 Ca 0.09 -0.92 -0.03 0.00 0.00 0.00 0.00 44.72 43.86 2wf8 s GLY 167 CO 0.02 -0.59 -0.07 1.08 0.00 0.00 0.00 173.10 173.54 2wf8 s LEU 168 N -0.50 2.90 0.02 0.66 1.43 -0.48 -1.24 118.68 121.46 2wf8 s LEU 168 Ca 0.07 -0.32 -0.09 0.00 -1.03 0.00 0.00 54.13 52.76 2wf8 s LEU 168 Cb -0.12 -1.71 0.00 0.00 0.03 0.00 0.00 46.19 44.40 2wf8 s LEU 168 CO 0.02 0.07 0.17 -1.61 0.23 0.00 0.00 176.35 175.24 2wf8 s GLU 169 N 0.92 0.59 0.00 1.70 0.41 -1.16 -1.74 118.70 119.42 2wf8 s GLU 169 Ca -0.01 -0.49 0.10 0.00 -0.41 0.00 0.00 54.97 54.16 2wf8 s GLU 169 Cb -0.15 0.25 0.14 0.00 -1.78 0.00 0.00 34.13 32.59 2wf8 s GLU 169 CO 0.01 -0.16 0.94 -0.40 -0.49 0.00 0.00 175.26 175.16 2wf8 n ASP 170 N 1.10 2.14 -4.26 -0.19 5.75 -1.26 -0.93 116.55 118.90 2wf8 n ASP 170 Ca -0.21 -1.59 -0.20 0.00 -0.01 0.00 0.00 54.79 52.77 2wf8 n ASP 170 Cb 0.57 -0.06 -0.12 0.00 -1.03 0.00 0.00 41.12 40.48 2wf8 n ASP 170 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2wf8 s SER 171 N -0.89 2.25 0.14 -1.12 1.04 -1.26 -4.87 113.70 108.99 2wf8 s SER 171 Ca 0.15 -0.76 -0.18 0.00 0.48 0.00 0.00 55.95 55.63 2wf8 s SER 171 Cb 0.09 -0.11 -0.01 0.00 0.10 0.00 0.00 66.02 66.10 2wf8 s SER 171 CO 0.13 -0.06 1.77 1.56 0.98 0.00 0.00 173.24 177.62 2wf8 h GLN 172 N 3.70 0.27 -0.73 4.02 4.20 -1.83 -0.47 115.11 124.28 2wf8 h GLN 172 Ca -0.42 -0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.21 2wf8 h GLN 172 Cb 1.19 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 28.88 2wf8 h GLN 172 CO 0.46 0.18 0.23 0.00 -0.67 0.00 0.00 178.83 179.03 2wf8 h ALA 173 N 1.14 0.95 -0.19 3.87 0.00 -1.86 -2.30 119.26 120.87 2wf8 h ALA 173 Ca 0.11 -0.22 -0.18 0.00 0.00 0.00 0.00 54.91 54.62 2wf8 h ALA 173 Cb 0.04 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 2wf8 h ALA 173 CO -0.08 0.63 -0.62 0.78 0.00 0.00 0.00 179.25 179.96 2wf8 h GLY 174 N 1.08 0.74 0.94 0.00 0.00 -1.78 -1.79 103.07 102.25 2wf8 h GLY 174 Ca 0.23 -0.92 0.02 0.00 0.00 0.00 0.00 47.33 46.66 2wf8 h GLY 174 CO -0.01 0.83 0.38 -2.22 0.00 0.00 0.00 176.54 175.52 2wf8 h ILE 175 N 0.50 1.11 -0.73 2.60 1.08 -0.96 0.05 117.51 121.16 2wf8 h ILE 175 Ca -0.01 -0.26 -0.02 0.00 -0.39 0.00 0.00 64.86 64.18 2wf8 h ILE 175 Cb 1.21 0.27 -0.03 0.00 -3.07 0.00 0.00 36.82 35.20 2wf8 h ILE 175 CO 0.12 0.14 0.37 -0.61 -0.69 0.00 0.00 178.15 177.49 2wf8 h GLN 176 N 0.77 1.04 -0.62 2.37 5.75 -1.29 -0.37 115.11 122.76 2wf8 h GLN 176 Ca 0.23 -0.14 -0.00 0.00 -0.15 0.00 0.00 58.65 58.59 2wf8 h GLN 176 Cb -0.03 -0.19 -0.03 0.00 1.07 0.00 0.00 27.48 28.29 2wf8 h GLN 176 CO -0.08 0.80 0.37 0.00 -2.65 0.00 0.00 178.83 177.27 2wf8 h ALA 177 N 1.19 0.79 -0.06 3.38 0.00 -0.91 -1.25 119.26 122.39 2wf8 h ALA 177 Ca 0.25 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 2wf8 h ALA 177 Cb 0.08 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 2wf8 h ALA 177 CO -0.04 0.27 0.03 0.82 0.00 0.00 0.00 179.25 180.33 2wf8 h ILE 178 N 0.84 1.11 -0.42 0.00 2.04 -0.63 -2.02 117.51 118.43 2wf8 h ILE 178 Ca 0.22 -0.32 0.08 0.00 1.00 0.00 0.00 64.86 65.85 2wf8 h ILE 178 Cb -0.02 1.22 -0.08 0.00 -0.74 0.00 0.00 36.82 37.20 2wf8 h ILE 178 CO -0.04 0.09 -0.11 0.11 0.00 0.00 0.00 178.15 178.20 2wf8 h LYS 179 N -0.03 -0.01 0.00 2.37 1.57 -0.78 -1.73 116.57 117.96 2wf8 h LYS 179 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2wf8 h LYS 179 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 2wf8 h LYS 179 CO -0.00 -0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 178.62 2wf8 n ASP 180 N -5.32 0.11 0.12 0.86 8.00 -0.50 -2.58 116.55 117.24 2wf8 n ASP 180 Ca 0.03 0.52 0.01 0.00 0.71 0.00 0.00 54.79 56.06 2wf8 n ASP 180 Cb 0.23 -0.54 0.00 0.00 -0.02 0.00 0.00 41.12 40.79 2wf8 n ASP 180 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 2wf8 h SER 181 N 0.00 0.00 0.00 -2.24 4.64 -0.55 -3.46 113.55 111.94 2wf8 h SER 181 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wf8 h SER 181 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 2wf8 h SER 181 CO 0.00 0.55 0.00 0.61 -0.87 0.00 0.00 176.83 177.12 2wf8 n GLY 182 N 1.25 0.42 3.79 -0.77 0.00 -1.06 -4.62 105.19 104.19 2wf8 n GLY 182 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 2wf8 n GLY 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wf8 s ALA 183 N -2.11 2.11 -0.27 4.61 0.00 -1.15 -3.87 121.76 121.07 2wf8 s ALA 183 Ca 0.00 -0.16 -0.16 0.00 0.00 0.00 0.00 51.96 51.64 2wf8 s ALA 183 Cb 0.00 -3.13 -0.03 0.00 0.00 0.00 0.00 23.12 19.96 2wf8 s ALA 183 CO 0.00 -1.85 0.43 -1.17 0.00 0.00 0.00 175.76 173.17 2wf8 s LEU 184 N -5.87 4.06 0.11 0.00 2.96 -0.54 -4.43 118.68 114.97 2wf8 s LEU 184 Ca 0.61 0.35 -0.23 0.00 -0.22 0.00 0.00 54.13 54.65 2wf8 s LEU 184 Cb -0.15 -2.51 -0.07 0.00 0.50 0.00 0.00 46.19 43.95 2wf8 s LEU 184 CO 0.55 -0.23 0.68 -2.16 -1.32 0.00 0.00 176.35 173.87 2wf8 s PRO 185 N 2.17 4.40 -0.20 0.98 0.04 -1.26 -0.66 135.00 140.47 2wf8 s PRO 185 Ca 0.17 0.96 0.00 0.00 0.04 0.00 0.00 61.00 62.18 2wf8 s PRO 185 Cb -0.16 -3.26 0.05 0.00 0.04 0.00 0.00 34.50 31.17 2wf8 s PRO 185 CO 0.10 0.58 -0.06 0.42 0.04 0.00 0.00 177.00 178.07 2wf8 s ILE 186 N -1.04 1.36 0.38 0.56 1.01 -0.37 -4.32 121.20 118.79 2wf8 s ILE 186 Ca 0.33 -0.91 -0.08 0.00 0.00 0.00 0.00 60.65 59.99 2wf8 s ILE 186 Cb -0.21 -1.55 -0.06 0.00 0.01 0.00 0.00 42.46 40.65 2wf8 s ILE 186 CO 0.23 0.06 0.71 -0.83 0.00 0.00 0.00 174.94 175.10 2wf8 s GLY 187 N 1.50 1.85 -0.14 6.18 0.00 -0.26 -2.99 107.32 113.46 2wf8 s GLY 187 Ca -0.02 -0.35 0.01 0.00 0.00 0.00 0.00 44.72 44.36 2wf8 s GLY 187 CO -0.07 -0.19 -0.17 0.54 0.00 0.00 0.00 173.10 173.21 2wf8 s VAL 188 N -2.34 1.71 -5.00 1.40 0.11 -0.10 -0.43 120.40 115.75 2wf8 s VAL 188 Ca 0.48 -0.75 0.00 0.00 -2.93 0.00 0.00 61.98 58.79 2wf8 s VAL 188 Cb -0.10 -1.56 0.00 0.00 -1.53 0.00 0.00 36.38 33.18 2wf8 s VAL 188 CO 0.33 0.48 0.00 0.61 -3.33 0.00 0.00 175.10 173.19 2wf8 n GLY 189 N 4.42 0.55 3.80 6.54 0.00 -0.54 -4.39 105.19 115.57 2wf8 n GLY 189 Ca -0.19 -1.54 -0.37 0.00 0.00 0.00 0.00 46.02 43.92 2wf8 n GLY 189 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wf8 s ARG 190 N -2.00 3.96 0.52 1.61 0.52 -1.26 -4.35 118.95 117.94 2wf8 s ARG 190 Ca 0.00 0.16 0.18 0.00 -0.52 0.00 0.00 55.73 55.55 2wf8 s ARG 190 Cb 0.00 -3.30 1.31 0.00 0.52 0.00 0.00 34.95 33.48 2wf8 s ARG 190 CO 0.00 0.51 2.14 -1.00 0.02 0.00 0.00 175.30 176.98 2wf8 h PRO 191 N 5.62 0.00 -0.49 3.54 0.13 -1.95 0.16 132.00 139.01 2wf8 h PRO 191 Ca -0.48 0.00 0.14 0.00 -0.87 0.00 0.00 66.00 64.79 2wf8 h PRO 191 Cb 1.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 2wf8 h PRO 191 CO 0.67 0.03 0.35 0.93 -0.23 0.00 0.00 178.00 179.75 2wf8 h GLU 192 N 0.00 0.00 0.04 0.86 3.07 -1.94 0.22 114.58 116.84 2wf8 h GLU 192 Ca -0.00 0.00 -0.38 0.00 -0.50 0.00 0.00 59.36 58.48 2wf8 h GLU 192 Cb 0.05 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 27.91 2wf8 h GLU 192 CO 0.00 0.00 -2.28 -0.25 -1.40 0.00 0.00 179.01 175.09 2wf8 n ASP 193 N -4.38 1.84 -0.00 1.42 8.00 -0.41 -4.74 116.55 118.27 2wf8 n ASP 193 Ca 0.09 0.01 0.08 0.00 0.71 0.00 0.00 54.79 55.68 2wf8 n ASP 193 Cb 0.57 -0.45 -0.10 0.00 -0.02 0.00 0.00 41.12 41.12 2wf8 n ASP 193 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2wf8 n LEU 194 N -3.29 0.58 0.00 0.64 4.77 0.42 -4.75 117.00 115.36 2wf8 n LEU 194 Ca -0.39 -0.39 0.00 0.00 -0.03 0.00 0.00 56.01 55.20 2wf8 n LEU 194 Cb 1.02 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.11 2wf8 n LEU 194 CO 0.34 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 2wf8 n GLY 195 N 1.42 2.62 1.29 -0.72 0.00 0.75 -4.86 105.19 105.68 2wf8 n GLY 195 Ca 0.02 -1.93 0.08 0.00 0.00 0.00 0.00 46.02 44.19 2wf8 n GLY 195 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wf8 n ASP 196 N 0.00 4.40 -0.41 1.61 5.75 -1.26 -4.54 116.55 122.09 2wf8 n ASP 196 Ca 0.00 -2.64 0.05 0.00 -0.01 0.00 0.00 54.79 52.19 2wf8 n ASP 196 Cb 0.00 -0.53 0.05 0.00 -1.03 0.00 0.00 41.12 39.61 2wf8 n ASP 196 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 2wf8 n ASP 197 N 0.45 1.96 -4.44 -1.12 5.75 -1.26 -4.98 116.55 112.91 2wf8 n ASP 197 Ca 0.23 -1.49 -0.21 0.00 -0.01 0.00 0.00 54.79 53.30 2wf8 n ASP 197 Cb 0.88 -0.03 -0.11 0.00 -1.03 0.00 0.00 41.12 40.83 2wf8 n ASP 197 CO 0.00 0.00 0.00 0.27 -0.11 0.00 0.00 177.20 177.36 2wf8 s ILE 198 N -0.84 1.16 0.10 2.12 -4.36 -1.26 -5.12 121.20 113.00 2wf8 s ILE 198 Ca 0.13 -2.00 -0.31 0.00 -0.26 0.00 0.00 60.65 58.21 2wf8 s ILE 198 Cb 0.08 -2.77 -0.07 0.00 1.25 0.00 0.00 42.46 40.96 2wf8 s ILE 198 CO 0.12 -0.01 1.27 -0.69 0.24 0.00 0.00 174.94 175.87 2wf8 s VAL 199 N -3.32 3.69 -0.02 8.37 1.01 -1.26 -4.95 120.40 123.92 2wf8 s VAL 199 Ca 0.36 1.24 0.03 0.00 0.00 0.00 0.00 61.98 63.61 2wf8 s VAL 199 Cb 0.09 -3.79 -0.00 0.00 0.00 0.00 0.00 36.38 32.67 2wf8 s VAL 199 CO 0.15 0.11 -0.09 -0.63 0.00 0.00 0.00 175.10 174.64 2wf8 s ILE 200 N 0.95 0.79 0.14 2.22 -1.09 -1.26 -1.11 121.20 121.85 2wf8 s ILE 200 Ca 0.60 -0.39 0.08 0.00 -2.23 0.00 0.00 60.65 58.72 2wf8 s ILE 200 Cb -0.33 -0.68 -0.04 0.00 -1.58 0.00 0.00 42.46 39.83 2wf8 s ILE 200 CO 0.30 0.24 -0.11 0.68 -1.23 0.00 0.00 174.94 174.82 2wf8 s VAL 201 N 0.03 3.20 -0.12 2.92 -7.23 0.42 -4.95 120.40 114.67 2wf8 s VAL 201 Ca -0.00 -1.50 0.20 0.00 -1.81 0.00 0.00 61.98 58.87 2wf8 s VAL 201 Cb -0.07 -2.54 0.19 0.00 0.56 0.00 0.00 36.38 34.52 2wf8 s VAL 201 CO 0.00 -0.00 1.61 1.55 -0.31 0.00 0.00 175.10 177.95 2wf8 h PRO 202 N 3.27 0.00 -3.16 4.82 0.13 -1.88 -1.44 132.00 133.75 2wf8 h PRO 202 Ca -0.48 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2wf8 h PRO 202 Cb 1.19 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.22 2wf8 h PRO 202 CO 0.52 0.29 0.12 0.16 -0.23 0.00 0.00 178.00 178.86 2wf8 s ASP 203 N -6.30 -0.34 0.20 1.44 -4.77 -1.26 -4.30 116.67 101.33 2wf8 s ASP 203 Ca 0.04 -0.38 0.23 0.00 -3.30 0.00 0.00 52.55 49.14 2wf8 s ASP 203 Cb 0.08 0.61 0.91 0.00 -1.09 0.00 0.00 42.92 43.43 2wf8 s ASP 203 CO 0.69 -1.09 1.69 0.35 0.70 0.00 0.00 175.17 177.52 2wf8 n THR 204 N -0.37 0.77 0.33 2.11 -2.24 -1.26 -2.40 114.28 111.22 2wf8 n THR 204 Ca -0.11 0.13 0.21 0.00 -2.27 0.00 0.00 64.05 62.02 2wf8 n THR 204 Cb 0.62 -1.00 1.12 0.00 -2.10 0.00 0.00 70.33 68.97 2wf8 n THR 204 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 2wf8 h SER 205 N 0.00 0.00 1.18 3.42 4.64 -1.91 -0.25 113.55 120.62 2wf8 h SER 205 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wf8 h SER 205 Cb 0.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 2wf8 h SER 205 CO 0.00 0.00 0.00 0.45 -0.87 0.00 0.00 176.83 176.41 2wf8 h HIS 206 N 0.00 0.00 -0.92 4.77 3.86 -1.79 -3.38 115.15 117.68 2wf8 h HIS 206 Ca -0.00 0.00 -0.70 0.00 -1.16 0.00 0.00 60.37 58.51 2wf8 h HIS 206 Cb 0.06 0.00 -0.09 0.00 1.06 0.00 0.00 27.41 28.44 2wf8 h HIS 206 CO 0.00 0.00 2.25 0.66 0.86 0.00 0.00 177.93 181.70 2wf8 n TYR 207 N -2.33 4.43 -4.09 2.45 0.53 -0.11 -4.73 117.16 113.31 2wf8 n TYR 207 Ca 0.04 -2.94 -0.26 0.00 -1.02 0.00 0.00 57.90 53.72 2wf8 n TYR 207 Cb 0.35 -2.53 -0.06 0.00 -1.03 0.00 0.00 39.34 36.08 2wf8 n TYR 207 CO 0.00 0.00 0.00 0.95 -1.02 0.00 0.00 176.86 176.79 2wf8 s THR 208 N 3.46 4.42 0.28 -0.72 -4.23 -1.26 -4.67 115.64 112.93 2wf8 s THR 208 Ca 0.50 -1.13 -0.02 0.00 -1.18 0.00 0.00 61.69 59.87 2wf8 s THR 208 Cb 0.05 -3.26 0.27 0.00 1.34 0.00 0.00 72.50 70.90 2wf8 s THR 208 CO 0.03 -0.12 1.92 0.25 -0.54 0.00 0.00 174.62 176.16 2wf8 h LEU 209 N 2.38 1.00 -0.35 4.79 5.85 -1.92 -0.72 115.31 126.35 2wf8 h LEU 209 Ca -0.48 -0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.31 2wf8 h LEU 209 Cb 1.20 -0.22 -0.07 0.00 0.37 0.00 0.00 40.66 41.94 2wf8 h LEU 209 CO 0.63 0.67 -0.09 -0.33 -0.34 0.00 0.00 178.44 178.98 2wf8 h GLU 210 N 1.15 -0.01 -0.28 1.25 4.39 -1.96 -0.42 114.58 118.70 2wf8 h GLU 210 Ca 0.38 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.96 2wf8 h GLU 210 Cb 0.06 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.71 2wf8 h GLU 210 CO -0.13 -0.01 -0.29 0.35 -1.16 0.00 0.00 179.01 177.78 2wf8 h PHE 211 N -0.01 0.84 -0.88 4.33 3.57 -1.66 0.73 116.94 123.86 2wf8 h PHE 211 Ca 0.17 -0.26 0.08 0.00 3.53 0.00 0.00 57.97 61.50 2wf8 h PHE 211 Cb 0.26 -0.18 -0.07 0.00 2.79 0.00 0.00 35.95 38.76 2wf8 h PHE 211 CO -0.32 1.00 0.53 -0.07 -2.23 0.00 0.00 178.31 177.22 2wf8 h LEU 212 N 0.44 0.80 -0.24 0.59 4.07 -0.85 0.23 115.31 120.36 2wf8 h LEU 212 Ca 0.04 0.03 -0.01 0.00 0.08 0.00 0.00 57.88 58.03 2wf8 h LEU 212 Cb 0.86 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 42.46 2wf8 h LEU 212 CO 0.07 0.48 0.12 0.11 -1.08 0.00 0.00 178.44 178.14 2wf8 h LYS 213 N 0.92 0.35 -0.66 1.13 1.57 -0.86 -0.69 116.57 118.33 2wf8 h LYS 213 Ca 0.41 -0.05 0.11 0.00 -1.87 0.00 0.00 60.65 59.25 2wf8 h LYS 213 Cb 0.30 -0.06 -0.08 0.00 0.08 0.00 0.00 32.23 32.46 2wf8 h LYS 213 CO -0.22 0.35 0.24 1.49 -0.57 0.00 0.00 179.45 180.74 2wf8 h GLU 214 N 0.26 0.39 -0.14 3.15 4.81 0.16 -1.15 114.58 122.07 2wf8 h GLU 214 Ca 0.08 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.23 2wf8 h GLU 214 Cb 0.12 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.41 2wf8 h GLU 214 CO -0.01 0.26 -0.15 0.28 -0.73 0.00 0.00 179.01 178.65 2wf8 h VAL 215 N 0.40 1.35 -0.82 0.32 2.07 -0.49 -1.73 116.25 117.36 2wf8 h VAL 215 Ca 0.35 -1.33 0.01 0.00 0.82 0.00 0.00 66.70 66.55 2wf8 h VAL 215 Cb 0.48 1.91 -0.04 0.00 -1.52 0.00 0.00 31.29 32.12 2wf8 h VAL 215 CO -0.36 0.39 0.54 -0.25 0.02 0.00 0.00 177.57 177.91 2wf8 h TRP 216 N -0.03 1.02 -0.32 1.57 2.91 -0.90 -1.59 115.95 118.60 2wf8 h TRP 216 Ca 0.02 0.02 -0.10 0.00 1.13 0.00 0.00 58.89 59.97 2wf8 h TRP 216 Cb 0.69 -0.34 -0.01 0.00 -0.51 0.00 0.00 29.16 28.98 2wf8 h TRP 216 CO 0.09 0.63 -0.20 1.25 -1.03 0.00 0.00 178.44 179.17 2wf8 h LEU 217 N 1.09 0.59 0.00 0.65 5.85 -1.23 -3.51 115.31 118.75 2wf8 h LEU 217 Ca 0.31 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.83 2wf8 h LEU 217 Cb -0.10 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 40.77 2wf8 h LEU 217 CO -0.08 0.80 0.00 0.00 -0.34 0.00 0.00 178.44 178.82