#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 3.31 0.19 2.46 -4.23 -1.26 -4.93 115.64 111.19 2wc8 s THR 1 Ca 0.00 -0.04 -0.11 0.00 -1.18 0.00 0.00 61.69 60.36 2wc8 s THR 1 Cb 0.00 -3.34 0.12 0.00 1.34 0.00 0.00 72.50 70.62 2wc8 s THR 1 CO 0.00 -0.36 1.79 0.11 -0.54 0.00 0.00 174.62 175.62 2wc8 h LYS 2 N -0.30 0.99 -0.32 3.99 1.57 -2.06 0.14 116.57 120.59 2wc8 h LYS 2 Ca -0.45 -0.14 0.03 0.00 -1.87 0.00 0.00 60.65 58.23 2wc8 h LYS 2 Cb 1.27 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 33.36 2wc8 h LYS 2 CO 0.61 0.77 0.13 1.25 -0.57 0.00 0.00 179.45 181.63 2wc8 h LEU 3 N 0.96 0.16 -1.35 2.94 5.85 -2.00 -1.66 115.31 120.21 2wc8 h LEU 3 Ca 0.24 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.99 2wc8 h LEU 3 Cb 0.09 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 2wc8 h LEU 3 CO -0.03 0.13 0.39 -0.33 -0.34 0.00 0.00 178.44 178.25 2wc8 h GLU 4 N 0.27 0.82 -0.46 1.25 5.08 -1.81 -1.54 114.58 118.21 2wc8 h GLU 4 Ca 0.14 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.34 2wc8 h GLU 4 Cb 0.09 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 2wc8 h GLU 4 CO -0.13 0.57 -0.10 0.93 -1.00 0.00 0.00 179.01 179.28 2wc8 h GLU 5 N 0.84 0.83 -0.48 2.33 5.08 -0.47 -0.50 114.58 122.20 2wc8 h GLU 5 Ca 0.22 -0.28 -0.12 0.00 -1.00 0.00 0.00 59.36 58.18 2wc8 h GLU 5 Cb -0.06 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 2wc8 h GLU 5 CO -0.04 0.89 -0.19 0.45 -1.00 0.00 0.00 179.01 179.12 2wc8 h HIS 6 N 0.75 1.09 -0.42 4.33 3.86 -0.79 0.22 115.15 124.19 2wc8 h HIS 6 Ca 0.13 -0.25 -0.03 0.00 -1.16 0.00 0.00 60.37 59.06 2wc8 h HIS 6 Cb 0.59 -0.26 -0.02 0.00 1.06 0.00 0.00 27.41 28.79 2wc8 h HIS 6 CO 0.03 1.05 0.16 -0.07 0.86 0.00 0.00 177.93 179.96 2wc8 h LEU 7 N 0.84 0.58 -0.70 2.43 3.38 -1.07 -1.63 115.31 119.13 2wc8 h LEU 7 Ca 0.12 -0.18 -0.09 0.00 0.09 0.00 0.00 57.88 57.82 2wc8 h LEU 7 Cb 0.75 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 2wc8 h LEU 7 CO 0.06 0.60 0.02 -0.08 0.09 0.00 0.00 178.44 179.13 2wc8 h GLU 8 N 0.53 1.02 -0.96 1.13 4.81 -0.87 -2.55 114.58 117.69 2wc8 h GLU 8 Ca 0.14 -0.31 0.10 0.00 -0.13 0.00 0.00 59.36 59.16 2wc8 h GLU 8 Cb 0.21 -0.10 -0.07 0.00 0.63 0.00 0.00 28.75 29.41 2wc8 h GLU 8 CO -0.01 0.99 0.61 0.78 -0.73 0.00 0.00 179.01 180.65 2wc8 h GLY 9 N 1.00 1.47 0.88 1.92 0.00 -0.22 0.14 103.07 108.25 2wc8 h GLY 9 Ca 0.17 -0.41 -0.07 0.00 0.00 0.00 0.00 47.33 47.02 2wc8 h GLY 9 CO 0.03 0.21 -0.13 -2.22 0.00 0.00 0.00 176.54 174.43 2wc8 h ILE 10 N 0.98 1.30 -0.41 2.60 2.04 -0.98 -1.34 117.51 121.71 2wc8 h ILE 10 Ca 0.45 -1.21 0.06 0.00 1.00 0.00 0.00 64.86 65.16 2wc8 h ILE 10 Cb 0.40 1.52 -0.05 0.00 -0.74 0.00 0.00 36.82 37.95 2wc8 h ILE 10 CO -0.21 0.38 0.11 0.58 0.00 0.00 0.00 178.15 179.01 2wc8 h VAL 11 N 0.29 0.83 -0.87 1.67 2.07 -1.05 -1.58 116.25 117.61 2wc8 h VAL 11 Ca 0.06 -0.09 0.04 0.00 0.82 0.00 0.00 66.70 67.53 2wc8 h VAL 11 Cb 0.64 0.55 -0.05 0.00 -1.52 0.00 0.00 31.29 30.90 2wc8 h VAL 11 CO 0.04 0.05 0.56 0.78 0.02 0.00 0.00 177.57 179.01 2wc8 h ASN 12 N 0.26 0.91 -0.32 0.57 2.35 -0.79 0.16 115.58 118.72 2wc8 h ASN 12 Ca 0.19 -0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.85 2wc8 h ASN 12 Cb 0.21 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 2wc8 h ASN 12 CO -0.23 0.62 -0.15 0.40 -1.65 0.00 0.00 177.43 176.42 2wc8 h ILE 13 N 1.07 1.29 -0.20 2.81 2.04 -0.99 0.11 117.51 123.63 2wc8 h ILE 13 Ca 0.35 -1.25 0.04 0.00 1.00 0.00 0.00 64.86 65.00 2wc8 h ILE 13 Cb 0.04 1.43 -0.03 0.00 -0.74 0.00 0.00 36.82 37.51 2wc8 h ILE 13 CO -0.13 0.40 -0.02 0.15 0.00 0.00 0.00 178.15 178.55 2wc8 h PHE 14 N 0.43 -0.06 -0.79 1.37 3.57 -0.75 -2.77 116.94 117.94 2wc8 h PHE 14 Ca 0.07 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.56 2wc8 h PHE 14 Cb 0.68 0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.44 2wc8 h PHE 14 CO 0.06 -0.06 0.37 0.45 -2.23 0.00 0.00 178.31 176.90 2wc8 h HIS 15 N 0.03 1.13 -0.65 0.41 3.86 -0.48 0.16 115.15 119.62 2wc8 h HIS 15 Ca 0.10 -0.06 0.11 0.00 -1.16 0.00 0.00 60.37 59.36 2wc8 h HIS 15 Cb 0.13 -0.35 -0.04 0.00 1.06 0.00 0.00 27.41 28.21 2wc8 h HIS 15 CO -0.20 0.83 0.43 -0.56 0.86 0.00 0.00 177.93 179.29 2wc8 h GLN 16 N 1.12 0.42 0.08 2.45 3.07 -0.50 -0.48 115.11 121.26 2wc8 h GLN 16 Ca 0.27 -0.03 -0.28 0.00 0.09 0.00 0.00 58.65 58.70 2wc8 h GLN 16 Cb 0.13 -0.09 -0.02 0.00 0.08 0.00 0.00 27.48 27.58 2wc8 h GLN 16 CO -0.03 0.28 -1.51 1.88 0.09 0.00 0.00 178.83 179.54 2wc8 h TYR 17 N 0.43 0.31 -0.26 0.06 0.05 -1.31 -3.40 116.97 112.85 2wc8 h TYR 17 Ca 0.30 -0.23 -0.03 0.00 0.05 0.00 0.00 58.73 58.83 2wc8 h TYR 17 Cb 0.61 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 38.33 2wc8 h TYR 17 CO -0.00 1.59 0.02 0.66 -1.05 0.00 0.00 178.16 179.38 2wc8 h SER 18 N -0.42 0.35 0.82 3.88 4.64 -0.28 -2.62 113.55 119.91 2wc8 h SER 18 Ca -0.35 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 2wc8 h SER 18 Cb 1.69 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.69 2wc8 h SER 18 CO -0.02 0.39 0.00 1.62 -0.87 0.00 0.00 176.83 177.96 2wc8 h VAL 19 N 0.38 0.00 -0.04 0.95 3.04 -1.00 -3.37 116.25 116.21 2wc8 h VAL 19 Ca 0.09 -0.35 -0.03 0.00 -1.01 0.00 0.00 66.70 65.39 2wc8 h VAL 19 Cb 0.22 1.23 0.00 0.00 -2.01 0.00 0.00 31.29 30.73 2wc8 h VAL 19 CO 0.00 0.00 -0.09 0.03 -1.01 0.00 0.00 177.57 176.50 2wc8 h ARG 20 N 0.00 0.13 -4.80 4.17 3.08 -1.68 -3.45 114.38 111.83 2wc8 h ARG 20 Ca 0.00 -0.09 -0.34 0.00 0.07 0.00 0.00 59.98 59.62 2wc8 h ARG 20 Cb 0.41 0.01 -0.14 0.00 0.08 0.00 0.00 29.97 30.33 2wc8 h ARG 20 CO 0.00 0.68 -0.60 -1.59 -1.07 0.00 0.00 179.97 177.40 2wc8 s LYS 21 N -3.87 1.41 3.25 0.04 -2.85 -1.26 -5.09 119.74 111.37 2wc8 s LYS 21 Ca -0.16 -1.77 0.00 0.00 -1.00 0.00 0.00 55.97 53.04 2wc8 s LYS 21 Cb 0.02 -0.03 0.00 0.00 -2.06 0.00 0.00 37.83 35.76 2wc8 s LYS 21 CO 0.71 -0.38 0.00 0.41 0.10 0.00 0.00 175.35 176.19 2wc8 n GLY 22 N -0.44 3.00 3.76 0.59 0.00 -1.26 -4.40 105.19 106.44 2wc8 n GLY 22 Ca 0.01 0.02 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 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 3.96 0.03 1.61 5.65 -1.26 -4.96 115.29 120.31 2wc8 s HIS 23 Ca 0.00 1.80 0.30 0.00 0.25 0.00 0.00 55.06 57.42 2wc8 s HIS 23 Cb 0.00 -2.89 1.13 0.00 -1.18 0.00 0.00 32.58 29.64 2wc8 s HIS 23 CO 0.00 0.48 1.90 0.27 -0.65 0.00 0.00 174.74 176.74 2wc8 h PHE 24 N 4.21 0.00 -0.37 3.88 -5.15 -1.77 -3.10 116.94 114.64 2wc8 h PHE 24 Ca -0.46 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.31 2wc8 h PHE 24 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.37 2wc8 h PHE 24 CO 0.62 0.05 0.00 -3.47 -2.00 0.00 0.00 178.31 173.51 2wc8 n ASP 25 N -3.15 3.48 -4.23 -0.68 2.03 -1.26 -3.01 116.55 109.73 2wc8 n ASP 25 Ca 0.01 -2.36 -0.13 0.00 0.52 0.00 0.00 54.79 52.83 2wc8 n ASP 25 Cb 0.36 -0.38 -0.10 0.00 -0.72 0.00 0.00 41.12 40.29 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 -1.65 0.34 0.10 5.18 -4.23 -1.17 -4.45 115.64 109.76 2wc8 s THR 26 Ca 0.33 -1.97 0.03 0.00 -1.18 0.00 0.00 61.69 58.90 2wc8 s THR 26 Cb 0.22 -2.34 -0.04 0.00 1.34 0.00 0.00 72.50 71.68 2wc8 s THR 26 CO 0.15 -0.23 -0.09 -1.48 -0.54 0.00 0.00 174.62 172.44 2wc8 s LEU 27 N -3.18 2.45 0.74 4.79 2.34 -0.89 -4.56 118.68 120.37 2wc8 s LEU 27 Ca 0.31 -0.90 -0.12 0.00 0.06 0.00 0.00 54.13 53.49 2wc8 s LEU 27 Cb 0.07 -0.22 0.04 0.00 -0.56 0.00 0.00 46.19 45.52 2wc8 s LEU 27 CO 0.08 -0.34 1.11 -0.94 -1.06 0.00 0.00 176.35 175.20 2wc8 s SER 28 N -2.72 4.62 0.22 1.48 1.04 -1.26 0.10 113.70 117.19 2wc8 s SER 28 Ca 0.09 1.94 -0.09 0.00 0.48 0.00 0.00 55.95 58.36 2wc8 s SER 28 Cb 0.00 -2.54 0.19 0.00 0.10 0.00 0.00 66.02 63.78 2wc8 s SER 28 CO -0.01 -1.96 1.88 0.11 0.98 0.00 0.00 173.24 174.24 2wc8 h LYS 29 N -0.69 1.01 -0.41 4.02 1.57 -0.90 -0.67 116.57 120.49 2wc8 h LYS 29 Ca -0.45 -0.06 0.09 0.00 -1.87 0.00 0.00 60.65 58.36 2wc8 h LYS 29 Cb 1.24 -0.23 -0.08 0.00 0.08 0.00 0.00 32.23 33.24 2wc8 h LYS 29 CO 0.52 0.67 -0.15 0.78 -0.57 0.00 0.00 179.45 180.69 2wc8 h GLY 30 N 1.04 0.20 1.02 3.86 0.00 -1.21 0.31 103.07 108.29 2wc8 h GLY 30 Ca 0.30 0.19 -0.07 0.00 0.00 0.00 0.00 47.33 47.76 2wc8 h GLY 30 CO -0.08 -0.18 0.08 0.83 0.00 0.00 0.00 176.54 177.19 2wc8 h GLU 31 N -0.06 0.94 -0.93 4.80 5.08 -1.68 -2.12 114.58 120.60 2wc8 h GLU 31 Ca 0.20 -0.26 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2wc8 h GLU 31 Cb 0.37 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.47 2wc8 h GLU 31 CO -0.46 0.90 0.58 1.25 -1.00 0.00 0.00 179.01 180.28 2wc8 h LEU 32 N 0.83 1.10 -0.76 1.33 5.85 -0.85 0.84 115.31 123.65 2wc8 h LEU 32 Ca 0.17 -0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.84 2wc8 h LEU 32 Cb 0.43 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 2wc8 h LEU 32 CO 0.01 0.83 0.49 0.50 -0.34 0.00 0.00 178.44 179.94 2wc8 h LYS 33 N 1.27 1.00 -0.59 1.25 3.64 -0.61 -0.88 116.57 121.65 2wc8 h LYS 33 Ca 0.33 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.61 2wc8 h LYS 33 Cb -0.08 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 31.49 2wc8 h LYS 33 CO -0.07 0.67 0.21 0.37 -2.27 0.00 0.00 179.45 178.36 2wc8 h GLN 34 N 1.03 0.91 0.09 1.90 4.15 -0.82 -1.01 115.11 121.35 2wc8 h GLN 34 Ca 0.28 -0.18 0.01 0.00 0.77 0.00 0.00 58.65 59.52 2wc8 h GLN 34 Cb -0.10 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.44 2wc8 h GLN 34 CO -0.06 0.80 -0.11 1.25 -1.93 0.00 0.00 178.83 178.78 2wc8 h LEU 35 N 0.83 -0.29 -0.48 -2.39 6.46 -0.19 -2.00 115.31 117.25 2wc8 h LEU 35 Ca 0.19 0.03 -0.06 0.00 -0.12 0.00 0.00 57.88 57.93 2wc8 h LEU 35 Cb 0.25 0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.27 2wc8 h LEU 35 CO -0.01 -0.16 0.08 -0.07 -0.62 0.00 0.00 178.44 177.65 2wc8 h LEU 36 N -0.23 0.77 -1.26 2.25 3.38 -1.09 0.35 115.31 119.48 2wc8 h LEU 36 Ca 0.01 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.69 2wc8 h LEU 36 Cb 0.23 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 2wc8 h LEU 36 CO -0.05 0.83 0.19 0.71 0.09 0.00 0.00 178.44 180.22 2wc8 h THR 37 N 0.67 1.18 0.00 0.22 1.35 -1.05 -1.58 112.91 113.71 2wc8 h THR 37 Ca 0.15 -0.58 -0.14 0.00 -0.55 0.00 0.00 66.41 65.29 2wc8 h THR 37 Cb 0.39 0.60 -0.02 0.00 -1.73 0.00 0.00 68.15 67.40 2wc8 h THR 37 CO 0.01 0.23 -0.83 0.50 -0.25 0.00 0.00 175.52 175.18 2wc8 h LYS 38 N 0.70 0.00 0.00 4.72 3.64 -1.16 -3.24 116.57 121.22 2wc8 h LYS 38 Ca 0.17 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 2wc8 h LYS 38 Cb 0.15 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 2wc8 h LYS 38 CO -0.02 0.88 0.00 0.93 -2.27 0.00 0.00 179.45 178.98 2wc8 h GLU 39 N -1.00 0.00 -0.08 1.90 4.39 -0.32 -2.99 114.58 116.48 2wc8 h GLU 39 Ca -0.22 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.46 2wc8 h GLU 39 Cb 1.11 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.75 2wc8 h GLU 39 CO -0.13 0.00 -0.14 1.28 -1.16 0.00 0.00 179.01 178.85 2wc8 n LEU 40 N -2.88 2.88 -0.32 1.33 4.77 -0.60 -4.85 117.00 117.34 2wc8 n LEU 40 Ca 0.03 -3.38 0.13 0.00 -0.03 0.00 0.00 56.01 52.76 2wc8 n LEU 40 Cb 0.44 -0.50 0.32 0.00 -2.33 0.00 0.00 43.42 41.35 2wc8 n LEU 40 CO 0.31 0.96 1.11 0.00 -1.33 0.00 0.00 177.39 178.44 2wc8 h ALA 41 N 0.65 1.54 0.12 -1.18 0.00 -1.55 0.27 119.26 119.11 2wc8 h ALA 41 Ca 0.03 0.13 -0.20 0.00 0.00 0.00 0.00 54.91 54.87 2wc8 h ALA 41 Cb 1.14 0.05 0.01 0.00 0.00 0.00 0.00 17.79 19.00 2wc8 h ALA 41 CO 0.08 -0.24 -0.93 -0.91 0.00 0.00 0.00 179.25 177.26 2wc8 h ASN 42 N 0.54 0.39 -0.63 0.00 2.35 -1.88 -2.18 115.58 114.17 2wc8 h ASN 42 Ca 0.57 -0.91 0.12 0.00 -0.55 0.00 0.00 56.30 55.53 2wc8 h ASN 42 Cb 1.01 -0.13 -0.09 0.00 0.05 0.00 0.00 38.32 39.16 2wc8 h ASN 42 CO -0.46 1.43 0.11 0.74 -1.65 0.00 0.00 177.43 177.60 2wc8 h THR 43 N -0.43 0.59 -0.24 2.81 2.02 -1.72 -0.72 112.91 115.23 2wc8 h THR 43 Ca -0.18 -0.08 -0.00 0.00 0.77 0.00 0.00 66.41 66.91 2wc8 h THR 43 Cb 1.61 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 68.35 2wc8 h THR 43 CO 0.10 0.04 0.13 0.40 0.37 0.00 0.00 175.52 176.57 2wc8 h ILE 44 N 0.24 1.12 -0.92 3.11 2.04 -0.56 -2.07 117.51 120.47 2wc8 h ILE 44 Ca 0.33 -0.32 0.12 0.00 1.00 0.00 0.00 64.86 65.99 2wc8 h ILE 44 Cb 0.52 0.89 -0.08 0.00 -0.74 0.00 0.00 36.82 37.41 2wc8 h ILE 44 CO -0.44 0.12 0.55 0.50 0.00 0.00 0.00 178.15 178.87 2wc8 h LYS 45 N 0.28 0.85 0.00 2.37 3.64 -0.67 -2.61 116.57 120.42 2wc8 h LYS 45 Ca 0.08 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.39 2wc8 h LYS 45 Cb 0.07 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 31.69 2wc8 h LYS 45 CO -0.01 0.56 -0.13 -0.91 -2.27 0.00 0.00 179.45 176.69 2wc8 h ASN 46 N 0.87 0.00 -2.72 4.20 2.35 -0.89 -3.43 115.58 115.96 2wc8 h ASN 46 Ca 0.46 0.00 -0.55 0.00 -0.55 0.00 0.00 56.30 55.65 2wc8 h ASN 46 Cb 0.47 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.82 2wc8 h ASN 46 CO -0.27 0.13 1.02 -0.63 -1.65 0.00 0.00 177.43 176.03 2wc8 s ILE 47 N -3.28 3.82 -2.20 2.81 1.01 -0.80 -4.91 121.20 117.66 2wc8 s ILE 47 Ca 0.05 0.99 0.22 0.00 0.00 0.00 0.00 60.65 61.92 2wc8 s ILE 47 Cb 0.07 -3.64 0.03 0.00 0.01 0.00 0.00 42.46 38.93 2wc8 s ILE 47 CO 0.66 -0.09 1.11 0.29 0.00 0.00 0.00 174.94 176.91 2wc8 n LYS 48 N 6.93 1.45 -3.68 2.79 4.01 -1.26 -4.84 118.16 123.55 2wc8 n LYS 48 Ca 0.16 -1.18 -0.39 0.00 -0.51 0.00 0.00 58.31 56.39 2wc8 n LYS 48 Cb 0.43 -1.46 -0.12 0.00 -0.51 0.00 0.00 35.03 33.37 2wc8 n LYS 48 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2wc8 s ASP 49 N -2.34 5.47 0.32 4.39 1.01 -1.26 -4.96 116.67 119.29 2wc8 s ASP 49 Ca 0.20 -0.97 0.09 0.00 0.71 0.00 0.00 52.55 52.58 2wc8 s ASP 49 Cb 0.18 -1.94 0.89 0.00 1.01 0.00 0.00 42.92 43.06 2wc8 s ASP 49 CO 0.51 -0.32 1.69 0.50 0.21 0.00 0.00 175.17 177.76 2wc8 h LYS 50 N 8.32 0.40 -0.49 8.23 3.64 -2.01 -1.22 116.57 133.44 2wc8 h LYS 50 Ca -0.26 -0.02 0.08 0.00 -1.27 0.00 0.00 60.65 59.18 2wc8 h LYS 50 Cb 1.10 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 32.81 2wc8 h LYS 50 CO 0.63 0.26 0.33 0.00 -2.27 0.00 0.00 179.45 178.40 2wc8 h ALA 51 N 1.77 2.03 -0.02 5.00 0.00 -1.98 0.60 119.26 126.67 2wc8 h ALA 51 Ca 0.64 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.53 2wc8 h ALA 51 Cb 1.32 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2wc8 h ALA 51 CO -0.55 -0.14 -0.04 0.28 0.00 0.00 0.00 179.25 178.80 2wc8 h VAL 52 N 0.32 1.45 -0.50 0.00 2.07 -1.64 -1.07 116.25 116.88 2wc8 h VAL 52 Ca 0.22 -1.39 0.02 0.00 0.82 0.00 0.00 66.70 66.37 2wc8 h VAL 52 Cb 0.45 2.34 -0.03 0.00 -1.52 0.00 0.00 31.29 32.53 2wc8 h VAL 52 CO -0.05 0.37 0.31 0.40 0.02 0.00 0.00 177.57 178.62 2wc8 h ILE 53 N -0.50 1.07 -0.88 4.57 2.04 -1.44 -1.58 117.51 120.79 2wc8 h ILE 53 Ca 0.00 -0.21 0.06 0.00 1.00 0.00 0.00 64.86 65.71 2wc8 h ILE 53 Cb 0.62 0.40 -0.06 0.00 -0.74 0.00 0.00 36.82 37.04 2wc8 h ILE 53 CO 0.01 0.11 0.55 0.44 0.00 0.00 0.00 178.15 179.26 2wc8 h ASP 54 N 0.62 0.87 -0.75 1.72 3.32 -0.87 -1.66 116.42 119.67 2wc8 h ASP 54 Ca 0.20 0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.20 2wc8 h ASP 54 Cb -0.00 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.35 2wc8 h ASP 54 CO -0.08 0.55 0.22 -0.08 -1.72 0.00 0.00 179.24 178.14 2wc8 h GLU 55 N 1.00 1.17 -0.68 3.56 4.81 -0.34 -0.59 114.58 123.50 2wc8 h GLU 55 Ca 0.39 -0.26 -0.06 0.00 -0.13 0.00 0.00 59.36 59.30 2wc8 h GLU 55 Cb 0.18 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.36 2wc8 h GLU 55 CO -0.18 1.00 0.19 0.82 -0.73 0.00 0.00 179.01 180.11 2wc8 h ILE 56 N 1.12 1.25 -0.03 2.32 2.04 -0.45 -3.28 117.51 120.49 2wc8 h ILE 56 Ca 0.24 -0.90 0.00 0.00 1.00 0.00 0.00 64.86 65.20 2wc8 h ILE 56 Cb 0.32 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 36.93 2wc8 h ILE 56 CO -0.01 0.35 -0.03 0.49 0.00 0.00 0.00 178.15 178.96 2wc8 n PHE 57 N -4.25 0.00 -1.65 1.37 3.72 -0.73 -5.01 117.46 110.92 2wc8 n PHE 57 Ca 0.05 0.00 -0.48 0.00 -0.05 0.00 0.00 57.45 56.97 2wc8 n PHE 57 Cb 0.24 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.73 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 1.12 1.83 -1.36 -1.08 7.27 -0.25 -4.35 117.38 120.57 2wc8 n GLN 58 Ca 0.12 0.66 0.18 0.00 0.07 0.00 0.00 57.00 58.03 2wc8 n GLN 58 Cb 0.53 -2.40 -0.05 0.00 2.41 0.00 0.00 30.24 30.73 2wc8 n GLN 58 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2wc8 n GLY 59 N 3.23 -2.15 0.00 1.69 0.00 -1.26 -5.09 105.19 101.61 2wc8 n GLY 59 Ca 0.18 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 45.04 2wc8 n GLY 59 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wc8 n LEU 60 N -4.10 0.00 0.00 0.99 4.77 -1.26 -5.09 117.00 112.31 2wc8 n LEU 60 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 2wc8 n LEU 60 Cb 0.62 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.71 2wc8 n LEU 60 CO 0.02 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.08 2wc8 n ALA 62 N -0.38 0.00 -1.60 -1.18 0.00 -1.26 -4.48 120.51 111.61 2wc8 n ALA 62 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 2wc8 n ALA 62 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 2wc8 n ALA 62 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2wc8 s ASN 63 N 0.00 5.45 0.00 0.00 3.84 -1.26 -4.79 114.94 118.18 2wc8 s ASN 63 Ca 0.00 1.90 0.15 0.00 0.21 0.00 0.00 52.86 55.12 2wc8 s ASN 63 Cb 0.00 -2.51 0.65 0.00 -0.55 0.00 0.00 41.25 38.84 2wc8 s ASN 63 CO 0.00 -1.96 1.46 0.00 -2.79 0.00 0.00 177.10 173.81 2wc8 n GLN 64 N 8.75 0.03 0.00 0.43 6.02 -1.26 -2.04 117.38 129.32 2wc8 n GLN 64 Ca 0.30 0.23 0.12 0.00 -0.01 0.00 0.00 57.00 57.64 2wc8 n GLN 64 Cb 0.45 -1.50 0.22 0.00 1.02 0.00 0.00 30.24 30.43 2wc8 n GLN 64 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 2wc8 n ASP 65 N -1.47 0.54 -4.77 1.08 8.00 -1.26 -0.84 116.55 117.84 2wc8 n ASP 65 Ca 0.04 -0.31 -0.41 0.00 0.71 0.00 0.00 54.79 54.83 2wc8 n ASP 65 Cb 0.16 0.32 -0.01 0.00 -0.02 0.00 0.00 41.12 41.57 2wc8 n ASP 65 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2wc8 s GLU 66 N -3.00 4.25 0.25 -1.24 2.56 -0.86 -4.68 118.70 115.97 2wc8 s GLU 66 Ca 0.11 2.36 -0.24 0.00 0.00 0.00 0.00 54.97 57.20 2wc8 s GLU 66 Cb 0.17 -3.02 -0.09 0.00 2.00 0.00 0.00 34.13 33.19 2wc8 s GLU 66 CO 0.72 -0.34 0.83 -0.65 -0.56 0.00 0.00 175.26 175.26 2wc8 s GLN 67 N -1.93 4.47 -0.05 4.30 -1.52 -1.26 -0.99 119.66 122.68 2wc8 s GLN 67 Ca 0.51 1.13 0.06 0.00 -1.95 0.00 0.00 55.36 55.11 2wc8 s GLN 67 Cb -0.42 -2.94 -0.01 0.00 -0.22 0.00 0.00 33.01 29.41 2wc8 s GLN 67 CO 0.57 0.39 -0.24 0.08 -0.25 0.00 0.00 175.29 175.84 2wc8 s VAL 68 N -1.47 1.95 0.54 1.09 1.01 0.29 -4.89 120.40 118.92 2wc8 s VAL 68 Ca 0.44 -1.02 0.08 0.00 0.00 0.00 0.00 61.98 61.49 2wc8 s VAL 68 Cb -0.19 -1.65 0.06 0.00 0.00 0.00 0.00 36.38 34.60 2wc8 s VAL 68 CO 0.24 0.55 0.65 1.51 0.00 0.00 0.00 175.10 178.04 2wc8 s ASP 69 N -0.20 5.03 0.30 3.32 1.47 -1.26 -2.10 116.67 123.23 2wc8 s ASP 69 Ca -0.02 -0.91 -0.01 0.00 1.18 0.00 0.00 52.55 52.80 2wc8 s ASP 69 Cb -0.13 0.20 0.47 0.00 -0.34 0.00 0.00 42.92 43.12 2wc8 s ASP 69 CO 0.03 -1.19 1.93 0.15 0.68 0.00 0.00 175.17 176.77 2wc8 h PHE 70 N 0.41 0.93 -0.91 2.11 3.57 -2.00 -2.17 116.94 118.89 2wc8 h PHE 70 Ca -0.33 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.19 2wc8 h PHE 70 Cb 1.29 -0.30 -0.05 0.00 2.79 0.00 0.00 35.95 39.68 2wc8 h PHE 70 CO 0.57 0.65 0.60 0.37 -2.23 0.00 0.00 178.31 178.27 2wc8 h GLN 71 N 0.96 1.11 -0.37 1.11 5.75 -1.98 -0.08 115.11 121.62 2wc8 h GLN 71 Ca 0.25 -0.07 -0.15 0.00 -0.15 0.00 0.00 58.65 58.52 2wc8 h GLN 71 Cb 0.02 -0.25 -0.01 0.00 1.07 0.00 0.00 27.48 28.31 2wc8 h GLN 71 CO -0.04 0.73 -0.38 0.93 -2.65 0.00 0.00 178.83 177.42 2wc8 h GLU 72 N 1.14 0.88 -0.42 1.69 5.08 -1.87 -2.74 114.58 118.34 2wc8 h GLU 72 Ca 0.36 -0.46 0.06 0.00 -1.00 0.00 0.00 59.36 58.32 2wc8 h GLU 72 Cb 0.01 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.23 2wc8 h GLU 72 CO -0.11 1.10 0.13 0.35 -1.00 0.00 0.00 179.01 179.48 2wc8 h PHE 73 N 0.72 0.22 -0.66 4.33 3.04 -0.81 -2.42 116.94 121.37 2wc8 h PHE 73 Ca 0.06 0.02 0.13 0.00 3.98 0.00 0.00 57.97 62.17 2wc8 h PHE 73 Cb 0.96 -0.04 -0.12 0.00 2.56 0.00 0.00 35.95 39.31 2wc8 h PHE 73 CO 0.06 0.07 -0.14 0.82 -2.02 0.00 0.00 178.31 177.10 2wc8 h ILE 74 N 0.28 0.35 -0.89 1.41 2.04 -0.73 0.38 117.51 120.36 2wc8 h ILE 74 Ca 0.20 -0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.16 2wc8 h ILE 74 Cb 0.21 0.34 -0.07 0.00 -0.74 0.00 0.00 36.82 36.56 2wc8 h ILE 74 CO -0.22 0.00 0.57 0.28 0.00 0.00 0.00 178.15 178.78 2wc8 h SER 75 N 0.01 0.76 0.03 1.72 0.02 -1.28 0.10 113.55 114.92 2wc8 h SER 75 Ca 0.32 0.03 -0.24 0.00 -0.84 0.00 0.00 61.79 61.06 2wc8 h SER 75 Cb 0.50 -0.13 0.02 0.00 0.14 0.00 0.00 62.40 62.93 2wc8 h SER 75 CO -0.66 0.43 -0.97 -0.07 -1.14 0.00 0.00 176.83 174.42 2wc8 h LEU 76 N 0.83 0.80 -0.72 5.07 3.38 -0.94 -2.78 115.31 120.96 2wc8 h LEU 76 Ca 0.42 -0.77 0.13 0.00 0.09 0.00 0.00 57.88 57.75 2wc8 h LEU 76 Cb 0.48 -0.25 -0.09 0.00 0.09 0.00 0.00 40.66 40.89 2wc8 h LEU 76 CO -0.18 1.47 0.27 0.58 0.09 0.00 0.00 178.44 180.67 2wc8 h VAL 77 N 0.21 0.68 -0.71 1.22 2.07 -0.35 0.19 116.25 119.55 2wc8 h VAL 77 Ca -0.13 -0.15 -0.03 0.00 0.82 0.00 0.00 66.70 67.22 2wc8 h VAL 77 Cb 1.65 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 2wc8 h VAL 77 CO 0.19 0.08 0.33 0.00 0.02 0.00 0.00 177.57 178.19 2wc8 h ALA 78 N 1.52 1.24 -0.39 1.67 0.00 -0.74 0.11 119.26 122.68 2wc8 h ALA 78 Ca 0.39 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 2wc8 h ALA 78 Cb 0.56 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2wc8 h ALA 78 CO -0.38 0.58 -0.12 0.82 0.00 0.00 0.00 179.25 180.15 2wc8 h ILE 79 N 1.01 1.28 -0.64 0.00 2.04 -1.04 -2.25 117.51 117.92 2wc8 h ILE 79 Ca 0.25 -1.21 -0.04 0.00 1.00 0.00 0.00 64.86 64.86 2wc8 h ILE 79 Cb 0.12 1.26 -0.03 0.00 -0.74 0.00 0.00 36.82 37.42 2wc8 h ILE 79 CO -0.03 0.40 0.24 0.00 0.00 0.00 0.00 178.15 178.77 2wc8 h ALA 80 N 0.83 1.23 -0.18 1.87 0.00 -0.12 -1.86 119.26 121.04 2wc8 h ALA 80 Ca 0.10 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 2wc8 h ALA 80 Cb 0.64 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 2wc8 h ALA 80 CO 0.04 0.56 -0.07 1.25 0.00 0.00 0.00 179.25 181.04 2wc8 h LEU 81 N 0.92 0.36 -0.59 0.00 6.46 -0.68 0.75 115.31 122.53 2wc8 h LEU 81 Ca 0.21 -0.39 0.12 0.00 -0.12 0.00 0.00 57.88 57.70 2wc8 h LEU 81 Cb 0.20 -0.10 -0.09 0.00 -0.73 0.00 0.00 40.66 39.93 2wc8 h LEU 81 CO -0.02 0.67 0.06 0.50 -0.62 0.00 0.00 178.44 179.03 2wc8 h LYS 82 N 0.05 0.17 -0.26 1.25 3.64 -1.19 -0.45 116.57 119.77 2wc8 h LYS 82 Ca 0.04 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.39 2wc8 h LYS 82 Cb 0.53 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 2wc8 h LYS 82 CO 0.02 0.11 0.09 0.00 -2.27 0.00 0.00 179.45 177.40 2wc8 h ALA 83 N 1.51 0.34 -0.81 5.00 0.00 -1.05 -0.81 119.26 123.44 2wc8 h ALA 83 Ca 0.31 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 55.11 2wc8 h ALA 83 Cb 0.48 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 2wc8 h ALA 83 CO -0.46 -0.04 0.52 0.00 0.00 0.00 0.00 179.25 179.27 2wc8 h ALA 84 N 0.92 1.05 -0.10 0.00 0.00 -0.53 -1.00 119.26 119.61 2wc8 h ALA 84 Ca 0.09 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2wc8 h ALA 84 Cb 0.22 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 2wc8 h ALA 84 CO -0.00 0.37 0.04 1.25 0.00 0.00 0.00 179.25 180.90 2wc8 h HIS 85 N 1.03 0.14 -0.74 0.00 -0.00 -0.95 -2.86 115.15 111.77 2wc8 h HIS 85 Ca 0.31 -0.01 0.12 0.00 -0.00 0.00 0.00 60.37 60.79 2wc8 h HIS 85 Cb -0.04 -0.04 -0.08 0.00 -0.00 0.00 0.00 27.41 27.25 2wc8 h HIS 85 CO -0.02 0.24 0.34 -0.92 -0.00 0.00 0.00 177.93 177.56 2wc8 h TYR 86 N 0.01 0.59 0.00 5.26 3.20 -0.84 -2.32 116.97 122.86 2wc8 h TYR 86 Ca 0.03 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.87 2wc8 h TYR 86 Cb 0.15 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.26 2wc8 h TYR 86 CO -0.02 0.15 -0.30 1.25 -1.64 0.00 0.00 178.16 177.60 2wc8 h HIS 87 N 0.53 0.00 0.00 -3.82 2.76 -0.97 -0.84 115.15 112.81 2wc8 h HIS 87 Ca 0.39 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.54 2wc8 h HIS 87 Cb 0.52 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.47 2wc8 h HIS 87 CO -0.13 0.30 -0.10 1.79 -1.30 0.00 0.00 177.93 178.48 2wc8 h THR 88 N 0.00 0.62 -0.12 6.26 1.35 -1.23 -1.91 112.91 117.88 2wc8 h THR 88 Ca -0.00 -0.43 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 2wc8 h THR 88 Cb 0.53 1.27 0.00 0.00 -1.73 0.00 0.00 68.15 68.23 2wc8 h THR 88 CO 0.04 0.10 0.00 1.41 -0.25 0.00 0.00 175.52 176.82 2wc8 n HIS 89 N -3.76 0.15 -1.54 4.73 -0.00 -0.33 -4.94 115.22 109.53 2wc8 n HIS 89 Ca -0.02 -0.07 -0.46 0.00 -0.00 0.00 0.00 57.72 57.16 2wc8 n HIS 89 Cb 0.21 0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 30.17 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 0.23 0.99 0.00 -0.41 4.81 -0.72 -5.13 118.16 117.93 2wc8 n LYS 90 Ca 0.17 0.35 0.16 0.00 -0.87 0.00 0.00 58.31 58.12 2wc8 n LYS 90 Cb 0.32 -1.65 0.95 0.00 0.02 0.00 0.00 35.03 34.67 2wc8 n LYS 90 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96