#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wc8 s THR 1 N 0.00 2.89 0.23 0.44 -4.23 -1.26 -4.84 115.64 108.87 2wc8 s THR 1 Ca 0.00 0.29 -0.06 0.00 -1.18 0.00 0.00 61.69 60.74 2wc8 s THR 1 Cb 0.00 -3.25 0.18 0.00 1.34 0.00 0.00 72.50 70.77 2wc8 s THR 1 CO 0.00 -0.38 1.78 0.11 -0.54 0.00 0.00 174.62 175.60 2wc8 h LYS 2 N -0.86 0.61 -0.31 3.99 1.57 -2.06 0.23 116.57 119.74 2wc8 h LYS 2 Ca -0.46 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.28 2wc8 h LYS 2 Cb 1.28 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.44 2wc8 h LYS 2 CO 0.64 0.40 0.18 1.25 -0.57 0.00 0.00 179.45 181.35 2wc8 h LEU 3 N 0.63 0.38 -1.04 2.94 5.85 -2.01 -2.59 115.31 119.48 2wc8 h LEU 3 Ca 0.36 -0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.94 2wc8 h LEU 3 Cb 0.38 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 2wc8 h LEU 3 CO -0.27 0.34 -0.01 -0.33 -0.34 0.00 0.00 178.44 177.83 2wc8 h GLU 4 N 0.39 0.68 -0.99 1.25 5.08 -1.74 -1.51 114.58 117.74 2wc8 h GLU 4 Ca 0.11 -0.17 0.10 0.00 -1.00 0.00 0.00 59.36 58.40 2wc8 h GLU 4 Cb 0.04 -0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.13 2wc8 h GLU 4 CO -0.02 0.70 0.63 0.93 -1.00 0.00 0.00 179.01 180.25 2wc8 h GLU 5 N 0.64 1.01 -0.46 2.33 5.08 -0.34 -1.03 114.58 121.82 2wc8 h GLU 5 Ca 0.13 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.35 2wc8 h GLU 5 Cb 0.41 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 2wc8 h GLU 5 CO 0.02 0.67 -0.03 0.45 -1.00 0.00 0.00 179.01 179.12 2wc8 h HIS 6 N 1.05 0.91 -0.64 4.33 3.86 -0.91 -0.58 115.15 123.17 2wc8 h HIS 6 Ca 0.46 -0.17 -0.04 0.00 -1.16 0.00 0.00 60.37 59.46 2wc8 h HIS 6 Cb 0.36 -0.23 -0.03 0.00 1.06 0.00 0.00 27.41 28.57 2wc8 h HIS 6 CO -0.00 0.89 0.25 -0.07 0.86 0.00 0.00 177.93 179.86 2wc8 h LEU 7 N 0.67 0.88 -1.06 2.43 3.38 -0.94 -1.51 115.31 119.16 2wc8 h LEU 7 Ca 0.13 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 2wc8 h LEU 7 Cb 0.55 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 2wc8 h LEU 7 CO 0.03 0.81 -0.11 -0.33 0.09 0.00 0.00 178.44 178.93 2wc8 h GLU 8 N 0.89 0.54 -0.22 1.13 5.08 -1.08 -1.25 114.58 119.67 2wc8 h GLU 8 Ca 0.21 -0.15 -0.19 0.00 -1.00 0.00 0.00 59.36 58.23 2wc8 h GLU 8 Cb 0.21 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.40 2wc8 h GLU 8 CO -0.02 0.65 -0.61 0.78 -1.00 0.00 0.00 179.01 178.81 2wc8 h GLY 9 N 0.93 0.83 0.90 -3.84 0.00 -0.73 0.22 103.07 101.38 2wc8 h GLY 9 Ca 0.09 -1.03 -0.01 0.00 0.00 0.00 0.00 47.33 46.38 2wc8 h GLY 9 CO 0.03 0.92 0.09 -2.22 0.00 0.00 0.00 176.54 175.36 2wc8 h ILE 10 N 0.57 1.17 -0.77 2.60 2.04 -0.98 -0.25 117.51 121.89 2wc8 h ILE 10 Ca -0.00 -0.53 0.02 0.00 1.00 0.00 0.00 64.86 65.34 2wc8 h ILE 10 Cb 1.21 1.08 -0.04 0.00 -0.74 0.00 0.00 36.82 38.32 2wc8 h ILE 10 CO 0.13 0.18 0.50 0.58 0.00 0.00 0.00 178.15 179.53 2wc8 h VAL 11 N 0.24 1.15 -0.83 1.67 2.07 -1.08 -2.26 116.25 117.20 2wc8 h VAL 11 Ca 0.08 -0.34 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 2wc8 h VAL 11 Cb 0.19 0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 29.99 2wc8 h VAL 11 CO -0.01 0.18 0.45 -1.13 0.02 0.00 0.00 177.57 177.08 2wc8 h ASN 12 N 0.99 1.04 -0.34 0.57 -1.24 -0.17 -1.37 115.58 115.06 2wc8 h ASN 12 Ca 0.30 -0.10 -0.09 0.00 0.71 0.00 0.00 56.30 57.11 2wc8 h ASN 12 Cb -0.04 -0.26 -0.01 0.00 0.73 0.00 0.00 38.32 38.74 2wc8 h ASN 12 CO -0.09 0.84 -0.15 0.40 -1.29 0.00 0.00 177.43 177.14 2wc8 h ILE 13 N 1.15 1.29 -0.39 2.57 2.04 -0.67 -1.61 117.51 121.89 2wc8 h ILE 13 Ca 0.29 -1.26 0.08 0.00 1.00 0.00 0.00 64.86 64.97 2wc8 h ILE 13 Cb 0.04 1.38 -0.08 0.00 -0.74 0.00 0.00 36.82 37.42 2wc8 h ILE 13 CO -0.05 0.41 -0.20 0.15 0.00 0.00 0.00 178.15 178.47 2wc8 h PHE 14 N 0.48 -0.51 -0.14 1.37 3.57 -1.22 -2.46 116.94 118.03 2wc8 h PHE 14 Ca 0.08 0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.57 2wc8 h PHE 14 Cb 0.68 0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.69 2wc8 h PHE 14 CO 0.06 -0.28 -0.15 0.45 -2.23 0.00 0.00 178.31 176.16 2wc8 h HIS 15 N -0.13 0.23 0.00 0.41 3.86 -0.72 0.51 115.15 119.30 2wc8 h HIS 15 Ca 0.19 -0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.32 2wc8 h HIS 15 Cb 0.43 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.82 2wc8 h HIS 15 CO -0.43 0.37 -0.27 1.96 0.86 0.00 0.00 177.93 180.41 2wc8 h GLN 16 N 0.21 0.00 0.10 2.45 1.08 -0.83 0.14 115.11 118.25 2wc8 h GLN 16 Ca 0.04 0.00 -0.20 0.00 -1.45 0.00 0.00 58.65 57.04 2wc8 h GLN 16 Cb 0.39 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.83 2wc8 h GLN 16 CO 0.02 0.27 -0.97 1.88 -0.95 0.00 0.00 178.83 179.09 2wc8 h TYR 17 N 0.00 0.40 -0.17 2.96 0.05 -1.25 -3.38 116.97 115.57 2wc8 h TYR 17 Ca -0.00 -0.29 -0.09 0.00 0.05 0.00 0.00 58.73 58.40 2wc8 h TYR 17 Cb 0.53 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.25 2wc8 h TYR 17 CO 0.00 1.38 -0.28 0.66 -1.05 0.00 0.00 178.16 178.86 2wc8 h SER 18 N -0.47 0.33 0.63 3.88 4.64 -0.66 -2.76 113.55 119.14 2wc8 h SER 18 Ca -0.20 -0.11 -0.01 0.00 -0.47 0.00 0.00 61.79 61.00 2wc8 h SER 18 Cb 1.58 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 63.58 2wc8 h SER 18 CO 0.07 0.62 -0.04 1.62 -0.87 0.00 0.00 176.83 178.23 2wc8 h VAL 19 N 0.29 0.15 -0.60 0.95 3.04 -0.71 -3.37 116.25 116.02 2wc8 h VAL 19 Ca 0.04 -0.44 -0.09 0.00 -1.01 0.00 0.00 66.70 65.21 2wc8 h VAL 19 Cb 0.66 1.37 -0.02 0.00 -2.01 0.00 0.00 31.29 31.29 2wc8 h VAL 19 CO 0.05 0.04 0.03 0.03 -1.01 0.00 0.00 177.57 176.71 2wc8 h ARG 20 N 0.00 1.03 -4.70 4.17 3.08 -1.67 -3.44 114.38 112.85 2wc8 h ARG 20 Ca -0.00 -0.31 -0.25 0.00 0.07 0.00 0.00 59.98 59.49 2wc8 h ARG 20 Cb 0.37 -0.10 -0.16 0.00 0.08 0.00 0.00 29.97 30.16 2wc8 h ARG 20 CO 0.01 1.00 -0.71 0.15 -1.07 0.00 0.00 179.97 179.35 2wc8 s LYS 21 N -5.08 0.81 5.03 0.04 1.02 -1.26 -5.10 119.74 115.21 2wc8 s LYS 21 Ca -0.12 -1.25 0.00 0.00 0.02 0.00 0.00 55.97 54.62 2wc8 s LYS 21 Cb 0.13 -0.28 0.00 0.00 -0.52 0.00 0.00 37.83 37.17 2wc8 s LYS 21 CO 0.85 0.01 0.00 0.41 -0.92 0.00 0.00 175.35 175.69 2wc8 n GLY 22 N 0.19 2.62 3.74 -3.33 0.00 -1.26 -4.48 105.19 102.67 2wc8 n GLY 22 Ca -0.14 -0.37 -0.41 0.00 0.00 0.00 0.00 46.02 45.10 2wc8 n GLY 22 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2wc8 s HIS 23 N 0.00 3.39 0.19 1.61 5.65 -1.26 -4.93 115.29 119.93 2wc8 s HIS 23 Ca 0.00 1.42 0.34 0.00 0.25 0.00 0.00 55.06 57.07 2wc8 s HIS 23 Cb 0.00 -3.46 1.73 0.00 -1.18 0.00 0.00 32.58 29.67 2wc8 s HIS 23 CO 0.00 -1.29 2.02 0.27 -0.65 0.00 0.00 174.74 175.09 2wc8 h PHE 24 N 4.93 0.00 -0.15 3.88 -5.15 -1.79 -3.15 116.94 115.52 2wc8 h PHE 24 Ca -0.45 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.32 2wc8 h PHE 24 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.38 2wc8 h PHE 24 CO 0.61 0.00 0.00 -3.47 -2.00 0.00 0.00 178.31 173.45 2wc8 n ASP 25 N -2.73 2.41 -4.33 -0.68 2.03 -1.26 -3.25 116.55 108.74 2wc8 n ASP 25 Ca -0.01 -1.69 -0.17 0.00 0.52 0.00 0.00 54.79 53.43 2wc8 n ASP 25 Cb 0.11 -0.09 -0.10 0.00 -0.72 0.00 0.00 41.12 40.31 2wc8 n ASP 25 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2wc8 s THR 26 N -1.05 1.08 0.07 5.18 -4.23 -1.19 -4.24 115.64 111.26 2wc8 s THR 26 Ca 0.19 -2.04 0.02 0.00 -1.18 0.00 0.00 61.69 58.67 2wc8 s THR 26 Cb 0.12 -2.32 -0.04 0.00 1.34 0.00 0.00 72.50 71.60 2wc8 s THR 26 CO 0.17 -0.35 -0.06 -1.48 -0.54 0.00 0.00 174.62 172.35 2wc8 s LEU 27 N -3.31 2.42 0.68 4.79 2.34 -0.39 -4.64 118.68 120.57 2wc8 s LEU 27 Ca 0.28 -0.85 -0.11 0.00 0.06 0.00 0.00 54.13 53.51 2wc8 s LEU 27 Cb 0.05 -0.06 0.00 0.00 -0.56 0.00 0.00 46.19 45.62 2wc8 s LEU 27 CO 0.08 -0.39 1.06 -0.94 -1.06 0.00 0.00 176.35 175.10 2wc8 s SER 28 N -2.52 5.47 0.26 1.48 1.04 -1.26 0.44 113.70 118.62 2wc8 s SER 28 Ca 0.04 1.63 -0.04 0.00 0.48 0.00 0.00 55.95 58.05 2wc8 s SER 28 Cb 0.00 -2.50 0.35 0.00 0.10 0.00 0.00 66.02 63.98 2wc8 s SER 28 CO -0.04 -1.38 1.90 0.11 0.98 0.00 0.00 173.24 174.82 2wc8 h LYS 29 N -0.58 1.21 -0.39 4.02 1.57 -1.93 0.06 116.57 120.54 2wc8 h LYS 29 Ca -0.44 -0.07 0.04 0.00 -1.87 0.00 0.00 60.65 58.30 2wc8 h LYS 29 Cb 1.21 -0.27 -0.04 0.00 0.08 0.00 0.00 32.23 33.21 2wc8 h LYS 29 CO 0.57 0.80 0.17 0.78 -0.57 0.00 0.00 179.45 181.20 2wc8 h GLY 30 N 1.25 0.52 1.03 3.86 0.00 -1.93 -0.34 103.07 107.47 2wc8 h GLY 30 Ca 0.40 -0.11 -0.07 0.00 0.00 0.00 0.00 47.33 47.55 2wc8 h GLY 30 CO -0.13 0.06 0.10 0.83 0.00 0.00 0.00 176.54 177.40 2wc8 h GLU 31 N 0.35 0.98 -0.68 4.80 5.08 -1.74 -2.18 114.58 121.18 2wc8 h GLU 31 Ca 0.17 -0.26 0.03 0.00 -1.00 0.00 0.00 59.36 58.30 2wc8 h GLU 31 Cb 0.12 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 2wc8 h GLU 31 CO -0.15 0.93 0.43 1.25 -1.00 0.00 0.00 179.01 180.47 2wc8 h LEU 32 N 0.88 0.70 -0.69 1.33 5.85 -0.79 -0.79 115.31 121.80 2wc8 h LEU 32 Ca 0.18 -0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.93 2wc8 h LEU 32 Cb 0.42 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 2wc8 h LEU 32 CO 0.01 0.49 0.43 0.50 -0.34 0.00 0.00 178.44 179.53 2wc8 h LYS 33 N 0.84 0.81 -0.77 1.25 3.64 -0.74 -0.29 116.57 121.31 2wc8 h LYS 33 Ca 0.27 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.55 2wc8 h LYS 33 Cb 0.01 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 31.62 2wc8 h LYS 33 CO -0.10 0.54 0.28 0.37 -2.27 0.00 0.00 179.45 178.26 2wc8 h GLN 34 N 0.84 1.17 -0.39 1.90 4.15 -1.03 -1.32 115.11 120.42 2wc8 h GLN 34 Ca 0.28 -0.23 -0.01 0.00 0.77 0.00 0.00 58.65 59.46 2wc8 h GLN 34 Cb 0.04 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 27.53 2wc8 h GLN 34 CO -0.12 0.97 0.19 1.25 -1.93 0.00 0.00 178.83 179.19 2wc8 h LEU 35 N 1.13 0.51 -0.16 -2.39 6.46 -0.39 -1.80 115.31 118.68 2wc8 h LEU 35 Ca 0.25 -0.13 -0.05 0.00 -0.12 0.00 0.00 57.88 57.84 2wc8 h LEU 35 Cb 0.26 -0.13 -0.00 0.00 -0.73 0.00 0.00 40.66 40.06 2wc8 h LEU 35 CO -0.01 0.49 -0.09 -0.07 -0.62 0.00 0.00 178.44 178.13 2wc8 h LEU 36 N 0.49 0.35 -1.17 2.25 3.38 -0.87 0.69 115.31 120.43 2wc8 h LEU 36 Ca 0.13 -0.43 -0.00 0.00 0.09 0.00 0.00 57.88 57.67 2wc8 h LEU 36 Cb 0.12 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 2wc8 h LEU 36 CO -0.02 0.71 0.45 0.71 0.09 0.00 0.00 178.44 180.38 2wc8 h THR 37 N -0.00 1.21 0.04 0.22 1.35 -1.09 -0.31 112.91 114.34 2wc8 h THR 37 Ca 0.03 -0.46 -0.00 0.00 -0.55 0.00 0.00 66.41 65.43 2wc8 h THR 37 Cb 0.58 0.15 0.00 0.00 -1.73 0.00 0.00 68.15 67.15 2wc8 h THR 37 CO 0.03 0.22 -0.02 0.50 -0.25 0.00 0.00 175.52 176.00 2wc8 h LYS 38 N 1.04 -0.05 0.00 4.72 3.64 -1.24 -3.19 116.57 121.49 2wc8 h LYS 38 Ca 0.27 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.60 2wc8 h LYS 38 Cb -0.04 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.78 2wc8 h LYS 38 CO -0.05 0.28 -0.27 0.93 -2.27 0.00 0.00 179.45 178.07 2wc8 h GLU 39 N -0.99 0.00 -0.38 1.90 4.39 -0.87 -2.92 114.58 115.71 2wc8 h GLU 39 Ca -0.01 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.58 2wc8 h GLU 39 Cb 0.36 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 28.94 2wc8 h GLU 39 CO 0.01 0.27 0.03 1.28 -1.16 0.00 0.00 179.01 179.44 2wc8 n LEU 40 N -3.25 4.33 -0.21 1.33 4.77 -0.13 -4.82 117.00 119.01 2wc8 n LEU 40 Ca 0.02 -3.36 0.02 0.00 -0.03 0.00 0.00 56.01 52.66 2wc8 n LEU 40 Cb 0.56 -0.61 0.13 0.00 -2.33 0.00 0.00 43.42 41.17 2wc8 n LEU 40 CO 0.36 0.93 0.94 0.00 -1.33 0.00 0.00 177.39 178.29 2wc8 h ALA 41 N 1.52 0.81 -0.03 -1.18 0.00 -1.50 0.11 119.26 118.99 2wc8 h ALA 41 Ca 0.14 0.13 -0.25 0.00 0.00 0.00 0.00 54.91 54.93 2wc8 h ALA 41 Cb 1.68 0.15 0.01 0.00 0.00 0.00 0.00 17.79 19.64 2wc8 h ALA 41 CO 0.38 -0.28 -0.97 -0.91 0.00 0.00 0.00 179.25 177.47 2wc8 h ASN 42 N 0.31 0.83 -0.23 0.00 2.35 -1.87 -1.72 115.58 115.25 2wc8 h ASN 42 Ca 0.34 -0.64 0.05 0.00 -0.55 0.00 0.00 56.30 55.50 2wc8 h ASN 42 Cb 0.51 -0.25 -0.04 0.00 0.05 0.00 0.00 38.32 38.59 2wc8 h ASN 42 CO -0.40 1.44 -0.06 0.74 -1.65 0.00 0.00 177.43 177.49 2wc8 h THR 43 N 0.38 0.76 -0.46 2.81 2.02 -1.82 -1.63 112.91 114.96 2wc8 h THR 43 Ca -0.10 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.08 2wc8 h THR 43 Cb 1.61 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 68.75 2wc8 h THR 43 CO 0.19 0.00 0.30 0.40 0.37 0.00 0.00 175.52 176.77 2wc8 h ILE 44 N -0.01 1.13 -0.82 3.11 2.04 -0.93 -2.25 117.51 119.77 2wc8 h ILE 44 Ca 0.11 -0.26 -0.02 0.00 1.00 0.00 0.00 64.86 65.69 2wc8 h ILE 44 Cb 0.18 0.47 -0.04 0.00 -0.74 0.00 0.00 36.82 36.69 2wc8 h ILE 44 CO -0.24 0.13 0.45 0.50 0.00 0.00 0.00 178.15 178.98 2wc8 h LYS 45 N 0.62 1.14 0.00 2.37 3.11 -1.01 -2.09 116.57 120.72 2wc8 h LYS 45 Ca 0.17 -0.13 0.00 0.00 -2.81 0.00 0.00 60.65 57.88 2wc8 h LYS 45 Cb -0.05 -0.23 0.00 0.00 -1.00 0.00 0.00 32.23 30.96 2wc8 h LYS 45 CO -0.03 0.84 0.00 0.09 -2.81 0.00 0.00 179.45 177.53 2wc8 n ASN 46 N -4.34 0.00 -4.63 4.20 3.02 -0.64 -4.76 115.26 108.11 2wc8 n ASN 46 Ca 0.09 0.43 -0.43 0.00 -0.03 0.00 0.00 54.58 54.63 2wc8 n ASN 46 Cb 0.10 -0.47 -0.03 0.00 -0.61 0.00 0.00 39.78 38.77 2wc8 n ASN 46 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2wc8 s ILE 47 N -2.95 4.64 -0.74 2.41 1.01 -0.79 -4.90 121.20 119.88 2wc8 s ILE 47 Ca 0.14 1.59 0.23 0.00 0.00 0.00 0.00 60.65 62.61 2wc8 s ILE 47 Cb 0.17 -4.30 -0.09 0.00 0.01 0.00 0.00 42.46 38.25 2wc8 s ILE 47 CO 0.47 -0.35 1.11 0.29 0.00 0.00 0.00 174.94 176.46 2wc8 n LYS 48 N 6.54 0.19 -2.87 2.79 5.02 -1.26 -4.74 118.16 123.84 2wc8 n LYS 48 Ca 0.09 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.95 2wc8 n LYS 48 Cb 0.47 -1.57 -0.04 0.00 -0.02 0.00 0.00 35.03 33.87 2wc8 n LYS 48 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2wc8 s ASP 49 N -3.64 6.29 0.59 4.39 3.68 -1.26 -4.93 116.67 121.80 2wc8 s ASP 49 Ca 0.06 -0.53 0.30 0.00 2.13 0.00 0.00 52.55 54.51 2wc8 s ASP 49 Cb 0.15 -2.42 1.83 0.00 -1.45 0.00 0.00 42.92 41.04 2wc8 s ASP 49 CO 0.78 -1.24 2.24 0.11 0.13 0.00 0.00 175.17 177.19 2wc8 h LYS 50 N 9.34 0.00 0.00 4.34 1.57 -2.00 -0.55 116.57 129.27 2wc8 h LYS 50 Ca -0.27 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.44 2wc8 h LYS 50 Cb 1.07 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.37 2wc8 h LYS 50 CO 1.10 0.00 -0.34 0.00 -0.57 0.00 0.00 179.45 179.64 2wc8 h ALA 51 N 1.97 1.28 0.04 3.86 0.00 -1.98 0.23 119.26 124.65 2wc8 h ALA 51 Ca 0.01 -0.31 -0.27 0.00 0.00 0.00 0.00 54.91 54.34 2wc8 h ALA 51 Cb 0.07 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 17.83 2wc8 h ALA 51 CO -0.00 0.42 -1.09 0.28 0.00 0.00 0.00 179.25 178.86 2wc8 h VAL 52 N 0.00 1.28 -0.38 0.00 2.07 -1.52 0.36 116.25 118.06 2wc8 h VAL 52 Ca -0.00 -2.31 0.02 0.00 0.82 0.00 0.00 66.70 65.22 2wc8 h VAL 52 Cb 0.67 2.50 -0.03 0.00 -1.52 0.00 0.00 31.29 32.91 2wc8 h VAL 52 CO 0.04 0.71 0.22 0.40 0.02 0.00 0.00 177.57 178.97 2wc8 h ILE 53 N 0.33 1.04 -0.84 4.57 2.04 -1.35 -1.29 117.51 122.01 2wc8 h ILE 53 Ca -0.15 -0.16 0.11 0.00 1.00 0.00 0.00 64.86 65.67 2wc8 h ILE 53 Cb 1.76 0.54 -0.08 0.00 -0.74 0.00 0.00 36.82 38.30 2wc8 h ILE 53 CO 0.21 0.08 0.47 -0.78 0.00 0.00 0.00 178.15 178.13 2wc8 h ASP 54 N 0.45 0.64 -0.93 1.72 1.82 -0.41 -0.83 116.42 118.88 2wc8 h ASP 54 Ca 0.15 0.06 0.07 0.00 -0.39 0.00 0.00 57.03 56.93 2wc8 h ASP 54 Cb 0.01 -0.05 -0.07 0.00 0.68 0.00 0.00 39.33 39.90 2wc8 h ASP 54 CO -0.07 0.33 0.58 -0.08 -1.61 0.00 0.00 179.24 178.39 2wc8 h GLU 55 N 0.74 1.00 -0.37 0.28 4.81 0.00 0.88 114.58 121.93 2wc8 h GLU 55 Ca 0.43 -0.06 -0.15 0.00 -0.13 0.00 0.00 59.36 59.45 2wc8 h GLU 55 Cb 0.47 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 2wc8 h GLU 55 CO -0.29 0.66 -0.34 0.82 -0.73 0.00 0.00 179.01 179.13 2wc8 h ILE 56 N 1.03 1.28 -0.01 2.32 2.04 -0.08 -3.29 117.51 120.80 2wc8 h ILE 56 Ca 0.42 -1.51 0.00 0.00 1.00 0.00 0.00 64.86 64.77 2wc8 h ILE 56 Cb 0.23 1.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.66 2wc8 h ILE 56 CO -0.19 0.50 -0.60 0.49 0.00 0.00 0.00 178.15 178.35 2wc8 n PHE 57 N -4.07 0.00 -1.70 1.37 3.72 -0.95 -4.97 117.46 110.87 2wc8 n PHE 57 Ca -0.01 0.00 -0.44 0.00 -0.05 0.00 0.00 57.45 56.95 2wc8 n PHE 57 Cb 0.51 -0.06 -0.03 0.00 -0.94 0.00 0.00 39.48 38.97 2wc8 n PHE 57 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 2wc8 n GLN 58 N -0.79 2.36 -0.19 -1.08 0.00 0.28 -2.11 117.38 115.84 2wc8 n GLN 58 Ca 0.08 0.85 0.00 0.00 -0.00 0.00 0.00 57.00 57.92 2wc8 n GLN 58 Cb 0.39 -2.60 0.00 0.00 0.00 0.00 0.00 30.24 28.03 2wc8 n GLN 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2wc8 n GLY 59 N 2.88 2.13 0.18 1.69 0.00 -1.26 -4.85 105.19 105.96 2wc8 n GLY 59 Ca 0.13 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.29 2wc8 n GLY 59 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2wc8 h LEU 60 N 0.00 0.00 -3.13 0.99 3.38 -1.80 -0.65 115.31 114.10 2wc8 h LEU 60 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wc8 h LEU 60 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2wc8 h LEU 60 CO 0.00 0.00 0.00 0.47 0.09 0.00 0.00 178.44 179.00 2wc8 n ASP 61 N -2.46 4.45 -0.00 -0.43 8.00 -1.26 -4.60 116.55 120.25 2wc8 n ASP 61 Ca 0.01 -2.47 0.00 0.00 0.71 0.00 0.00 54.79 53.04 2wc8 n ASP 61 Cb 0.19 -0.53 -0.01 0.00 -0.02 0.00 0.00 41.12 40.75 2wc8 n ASP 61 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wc8 n ALA 62 N 0.85 2.02 -1.17 2.24 0.00 -0.25 -5.20 120.51 119.00 2wc8 n ALA 62 Ca 0.24 -0.07 -0.31 0.00 0.00 0.00 0.00 53.44 53.30 2wc8 n ALA 62 Cb 0.84 0.05 0.10 0.00 0.00 0.00 0.00 19.45 20.44 2wc8 n ALA 62 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2wc8 s GLN 67 N -2.09 2.05 -0.09 0.00 -1.52 -1.26 -5.14 119.66 111.60 2wc8 s GLN 67 Ca -0.01 1.22 0.02 0.00 -1.95 0.00 0.00 55.36 54.65 2wc8 s GLN 67 Cb 0.01 -1.87 -0.02 0.00 -0.22 0.00 0.00 33.01 30.91 2wc8 s GLN 67 CO 0.07 -1.81 -0.15 0.08 -0.25 0.00 0.00 175.29 173.23 2wc8 s VAL 68 N -2.87 2.90 0.55 1.09 1.01 0.17 -4.93 120.40 118.33 2wc8 s VAL 68 Ca 0.62 -0.74 0.08 0.00 0.00 0.00 0.00 61.98 61.94 2wc8 s VAL 68 Cb -0.18 -2.17 0.06 0.00 0.00 0.00 0.00 36.38 34.09 2wc8 s VAL 68 CO 0.56 0.55 0.63 1.51 0.00 0.00 0.00 175.10 178.35 2wc8 s ASP 69 N -0.06 4.94 0.21 3.32 1.47 -1.26 -1.26 116.67 124.03 2wc8 s ASP 69 Ca -0.03 -0.98 -0.10 0.00 1.18 0.00 0.00 52.55 52.62 2wc8 s ASP 69 Cb -0.14 0.28 0.17 0.00 -0.34 0.00 0.00 42.92 42.88 2wc8 s ASP 69 CO 0.04 -1.21 1.88 0.15 0.68 0.00 0.00 175.17 176.71 2wc8 h PHE 70 N 0.44 0.97 -0.75 2.11 3.57 -2.00 -1.65 116.94 119.62 2wc8 h PHE 70 Ca -0.33 0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.29 2wc8 h PHE 70 Cb 1.29 -0.33 -0.08 0.00 2.79 0.00 0.00 35.95 39.63 2wc8 h PHE 70 CO 0.64 0.61 0.39 0.37 -2.23 0.00 0.00 178.31 178.08 2wc8 h GLN 71 N 1.04 0.62 -0.44 1.11 5.75 -1.96 0.30 115.11 121.54 2wc8 h GLN 71 Ca 0.29 -0.04 -0.09 0.00 -0.15 0.00 0.00 58.65 58.66 2wc8 h GLN 71 Cb -0.11 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.28 2wc8 h GLN 71 CO -0.06 0.41 -0.08 0.93 -2.65 0.00 0.00 178.83 177.38 2wc8 h GLU 72 N 0.64 0.76 -0.63 1.69 5.08 -1.79 -2.83 114.58 117.50 2wc8 h GLU 72 Ca 0.38 -0.23 -0.07 0.00 -1.00 0.00 0.00 59.36 58.43 2wc8 h GLU 72 Cb 0.41 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 2wc8 h GLU 72 CO -0.28 0.82 0.11 0.35 -1.00 0.00 0.00 179.01 179.01 2wc8 h PHE 73 N 0.70 1.08 -0.81 4.33 3.04 -0.26 -2.28 116.94 122.73 2wc8 h PHE 73 Ca 0.12 -0.14 0.12 0.00 3.98 0.00 0.00 57.97 62.05 2wc8 h PHE 73 Cb 0.54 -0.30 -0.06 0.00 2.56 0.00 0.00 35.95 38.69 2wc8 h PHE 73 CO 0.03 0.91 0.53 0.82 -2.02 0.00 0.00 178.31 178.57 2wc8 h ILE 74 N 0.97 0.90 -0.45 1.41 2.04 -0.24 -0.07 117.51 122.06 2wc8 h ILE 74 Ca 0.20 -0.23 -0.07 0.00 1.00 0.00 0.00 64.86 65.75 2wc8 h ILE 74 Cb 0.40 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.63 2wc8 h ILE 74 CO 0.01 0.12 -0.01 0.28 0.00 0.00 0.00 178.15 178.55 2wc8 h SER 75 N 0.67 0.72 -0.13 1.72 0.02 -1.28 -0.66 113.55 114.63 2wc8 h SER 75 Ca 0.39 -0.18 -0.16 0.00 -0.84 0.00 0.00 61.79 61.00 2wc8 h SER 75 Cb 0.57 -0.19 0.01 0.00 0.14 0.00 0.00 62.40 62.93 2wc8 h SER 75 CO -0.15 0.80 -0.56 -0.07 -1.14 0.00 0.00 176.83 175.70 2wc8 h LEU 76 N 0.70 0.71 -1.13 5.07 3.38 -1.32 -2.89 115.31 119.83 2wc8 h LEU 76 Ca 0.14 -0.63 0.06 0.00 0.09 0.00 0.00 57.88 57.53 2wc8 h LEU 76 Cb 0.45 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.94 2wc8 h LEU 76 CO 0.02 1.23 0.59 0.58 0.09 0.00 0.00 178.44 180.95 2wc8 h VAL 77 N 0.25 1.09 -0.69 1.22 2.07 -0.73 -1.54 116.25 117.91 2wc8 h VAL 77 Ca -0.03 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 67.09 2wc8 h VAL 77 Cb 1.20 -0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 2wc8 h VAL 77 CO 0.12 0.19 0.30 0.00 0.02 0.00 0.00 177.57 178.20 2wc8 h ALA 78 N 1.50 1.21 -0.18 1.67 0.00 -1.07 0.11 119.26 122.50 2wc8 h ALA 78 Ca 0.38 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 2wc8 h ALA 78 Cb 0.15 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 2wc8 h ALA 78 CO -0.14 0.58 -0.15 0.82 0.00 0.00 0.00 179.25 180.36 2wc8 h ILE 79 N 1.00 1.33 -0.49 0.00 2.04 -1.22 -2.65 117.51 117.52 2wc8 h ILE 79 Ca 0.24 -1.29 -0.05 0.00 1.00 0.00 0.00 64.86 64.76 2wc8 h ILE 79 Cb 0.16 1.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.98 2wc8 h ILE 79 CO -0.02 0.39 0.09 0.00 0.00 0.00 0.00 178.15 178.60 2wc8 h ALA 80 N 0.65 1.24 -0.53 1.87 0.00 -0.99 -2.20 119.26 119.31 2wc8 h ALA 80 Ca 0.03 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 2wc8 h ALA 80 Cb 0.68 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2wc8 h ALA 80 CO 0.04 0.52 0.18 -0.07 0.00 0.00 0.00 179.25 179.92 2wc8 h LEU 81 N 0.72 0.75 -0.16 0.00 3.38 -0.74 0.19 115.31 119.46 2wc8 h LEU 81 Ca 0.16 -0.19 0.03 0.00 0.09 0.00 0.00 57.88 57.97 2wc8 h LEU 81 Cb 0.32 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 2wc8 h LEU 81 CO 0.00 0.74 -0.06 0.50 0.09 0.00 0.00 178.44 179.72 2wc8 h LYS 82 N 0.72 -0.03 -0.40 1.13 3.64 -1.18 -0.36 116.57 120.08 2wc8 h LYS 82 Ca 0.17 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.60 2wc8 h LYS 82 Cb 0.25 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.03 2wc8 h LYS 82 CO -0.01 -0.02 0.17 0.00 -2.27 0.00 0.00 179.45 177.32 2wc8 h ALA 83 N 1.13 0.49 -0.77 5.00 0.00 -1.19 -1.34 119.26 122.57 2wc8 h ALA 83 Ca 0.08 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2wc8 h ALA 83 Cb 0.15 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 2wc8 h ALA 83 CO -0.18 -0.21 0.47 0.00 0.00 0.00 0.00 179.25 179.33 2wc8 h ALA 84 N 1.24 0.98 -0.12 0.00 0.00 -0.26 -1.68 119.26 119.43 2wc8 h ALA 84 Ca 0.18 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2wc8 h ALA 84 Cb 0.13 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 2wc8 h ALA 84 CO -0.16 0.44 0.02 1.25 0.00 0.00 0.00 179.25 180.80 2wc8 h HIS 85 N 1.06 0.21 -0.46 0.00 6.17 -0.79 -1.99 115.15 119.34 2wc8 h HIS 85 Ca 0.28 -0.03 0.08 0.00 0.71 0.00 0.00 60.37 61.41 2wc8 h HIS 85 Cb -0.05 -0.06 -0.06 0.00 2.52 0.00 0.00 27.41 29.76 2wc8 h HIS 85 CO -0.01 0.38 0.09 -0.92 0.71 0.00 0.00 177.93 178.18 2wc8 h TYR 86 N -0.03 0.14 -0.20 5.26 3.20 -1.04 -2.03 116.97 122.27 2wc8 h TYR 86 Ca 0.04 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.91 2wc8 h TYR 86 Cb 0.29 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.55 2wc8 h TYR 86 CO 0.02 -0.00 0.01 1.25 -1.64 0.00 0.00 178.16 177.80 2wc8 h HIS 87 N 0.22 0.29 -0.03 -3.82 2.76 -1.07 -1.69 115.15 111.80 2wc8 h HIS 87 Ca 0.23 -0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.39 2wc8 h HIS 87 Cb 0.30 -0.09 -0.00 0.00 1.55 0.00 0.00 27.41 29.17 2wc8 h HIS 87 CO -0.22 0.29 0.03 1.79 -1.30 0.00 0.00 177.93 178.51 2wc8 h THR 88 N 0.28 0.71 -0.34 6.26 1.35 -0.60 -1.84 112.91 118.72 2wc8 h THR 88 Ca 0.07 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.93 2wc8 h THR 88 Cb 0.17 0.98 0.00 0.00 -1.73 0.00 0.00 68.15 67.57 2wc8 h THR 88 CO 0.00 0.00 0.00 1.41 -0.25 0.00 0.00 175.52 176.68 2wc8 n HIS 89 N -4.12 0.45 -1.69 4.73 -0.00 -0.64 -4.95 115.22 109.00 2wc8 n HIS 89 Ca -0.02 -0.23 -0.45 0.00 -0.00 0.00 0.00 57.72 57.02 2wc8 n HIS 89 Cb 0.12 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 30.07 2wc8 n HIS 89 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.34 177.51 2wc8 n LYS 90 N 0.64 2.41 0.00 -0.41 4.81 -0.70 -5.13 118.16 119.78 2wc8 n LYS 90 Ca 0.15 0.87 0.14 0.00 -0.87 0.00 0.00 58.31 58.60 2wc8 n LYS 90 Cb 0.36 -2.69 0.85 0.00 0.02 0.00 0.00 35.03 33.57 2wc8 n LYS 90 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96