#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mw6 h LYS 21 N 0.00 0.32 -0.62 1.97 6.56 -2.04 0.03 116.57 122.80 3mw6 h LYS 21 Ca 0.00 -0.07 -0.05 0.00 -1.06 0.00 0.00 60.65 59.47 3mw6 h LYS 21 Cb 0.00 -0.05 -0.03 0.00 -0.57 0.00 0.00 32.23 31.59 3mw6 h LYS 21 CO 0.00 0.42 0.19 0.87 -2.06 0.00 0.00 179.45 178.88 3mw6 h LYS 22 N 0.31 0.96 0.34 3.15 1.79 -2.07 -2.52 116.57 118.53 3mw6 h LYS 22 Ca 0.06 -0.21 -0.02 0.00 -2.18 0.00 0.00 60.65 58.31 3mw6 h LYS 22 Cb 0.35 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 30.86 3mw6 h LYS 22 CO 0.02 0.85 -0.16 1.96 -1.08 0.00 0.00 179.45 181.04 3mw6 h GLN 23 N 0.89 -0.44 -0.70 3.15 1.08 -1.76 -3.25 115.11 114.08 3mw6 h GLN 23 Ca 0.20 0.03 0.14 0.00 -1.45 0.00 0.00 58.65 57.57 3mw6 h GLN 23 Cb 0.29 0.10 -0.10 0.00 -0.05 0.00 0.00 27.48 27.72 3mw6 h GLN 23 CO -0.01 -0.12 0.18 1.79 -0.95 0.00 0.00 178.83 179.72 3mw6 h THR 24 N -0.96 0.57 0.00 -0.54 1.35 -1.12 0.53 112.91 112.74 3mw6 h THR 24 Ca -0.05 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 3mw6 h THR 24 Cb 0.51 0.25 0.00 0.00 -1.73 0.00 0.00 68.15 67.18 3mw6 h THR 24 CO 0.08 0.05 0.00 1.21 -0.25 0.00 0.00 175.52 176.61 3mw6 n GLU 25 N -5.13 0.00 0.00 4.72 2.13 -0.95 -0.61 120.64 120.81 3mw6 n GLU 25 Ca 0.13 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.95 3mw6 n GLU 25 Cb 0.42 -0.83 0.00 0.00 0.27 0.00 0.00 31.44 31.30 3mw6 n GLU 25 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 3mw6 n ILE 27 N 0.21 0.00 0.03 6.31 -0.00 0.19 -3.06 119.36 123.04 3mw6 n ILE 27 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 62.75 62.63 3mw6 n ILE 27 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 39.64 39.59 3mw6 n ILE 27 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3mw6 h ALA 28 N 0.00 -0.47 -1.25 -1.39 0.00 -1.12 -1.19 119.26 113.83 3mw6 h ALA 28 Ca 0.00 -0.00 0.46 0.00 0.00 0.00 0.00 54.91 55.36 3mw6 h ALA 28 Cb 0.00 0.64 -0.15 0.00 0.00 0.00 0.00 17.79 18.28 3mw6 h ALA 28 CO 0.00 -0.85 0.77 0.22 0.00 0.00 0.00 179.25 179.39 3mw6 h ASP 29 N -0.46 0.24 -0.07 0.00 1.82 -1.76 0.71 116.42 116.91 3mw6 h ASP 29 Ca 0.08 0.19 -0.16 0.00 -0.39 0.00 0.00 57.03 56.75 3mw6 h ASP 29 Cb 0.58 0.19 0.01 0.00 0.68 0.00 0.00 39.33 40.79 3mw6 h ASP 29 CO -0.33 -0.31 -0.57 -0.74 -1.61 0.00 0.00 179.24 175.68 3mw6 h HIS 30 N 0.01 0.70 0.77 0.28 2.76 -1.55 -3.14 115.15 114.99 3mw6 h HIS 30 Ca 0.87 -0.34 -0.04 0.00 -2.20 0.00 0.00 60.37 58.66 3mw6 h HIS 30 Cb 2.62 -0.10 0.01 0.00 1.55 0.00 0.00 27.41 31.49 3mw6 h HIS 30 CO -0.01 1.13 -0.37 0.82 -1.30 0.00 0.00 177.93 178.20 3mw6 h ILE 31 N 0.08 0.00 0.00 6.26 2.04 0.89 0.28 117.51 127.06 3mw6 h ILE 31 Ca -0.05 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.76 3mw6 h ILE 31 Cb 1.24 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.32 3mw6 h ILE 31 CO 0.12 0.00 0.19 -1.22 0.00 0.00 0.00 178.15 177.24 3mw6 n TYR 32 N -4.91 0.48 -0.07 1.37 4.02 -0.72 -1.01 117.16 116.32 3mw6 n TYR 32 Ca -0.13 0.25 -0.12 0.00 -0.01 0.00 0.00 57.90 57.89 3mw6 n TYR 32 Cb 0.41 -0.76 -0.15 0.00 -0.02 0.00 0.00 39.34 38.82 3mw6 n TYR 32 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3mw6 n GLY 33 N -1.29 -0.84 0.08 2.72 0.00 -0.81 -4.31 105.19 100.74 3mw6 n GLY 33 Ca -0.01 -0.22 -0.11 0.00 0.00 0.00 0.00 46.02 45.68 3mw6 n GLY 33 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3mw6 h LYS 34 N 0.01 0.00 -5.78 1.61 3.64 0.13 -3.48 116.57 112.70 3mw6 h LYS 34 Ca -0.46 0.00 -0.58 0.00 -1.27 0.00 0.00 60.65 58.34 3mw6 h LYS 34 Cb 2.10 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 33.84 3mw6 h LYS 34 CO 0.03 0.39 -0.03 0.71 -2.27 0.00 0.00 179.45 178.28 3mw6 s TYR 35 N -2.26 3.50 0.16 1.91 1.51 -0.26 -4.99 117.35 116.92 3mw6 s TYR 35 Ca -0.20 0.98 -0.12 0.00 -1.01 0.00 0.00 57.07 56.72 3mw6 s TYR 35 Cb 0.03 -2.66 0.05 0.00 -0.11 0.00 0.00 41.96 39.27 3mw6 s TYR 35 CO 0.36 0.07 1.69 -0.44 -1.11 0.00 0.00 175.55 176.12 3mw6 h ASP 36 N 6.91 0.81 -0.68 2.29 3.45 -1.86 -2.80 116.42 124.54 3mw6 h ASP 36 Ca -0.39 -0.21 0.14 0.00 0.43 0.00 0.00 57.03 57.01 3mw6 h ASP 36 Cb 1.18 -0.21 -0.04 0.00 -0.56 0.00 0.00 39.33 39.69 3mw6 h ASP 36 CO 0.76 0.80 0.46 -0.37 -1.57 0.00 0.00 179.24 179.32 3mw6 h VAL 37 N 0.78 0.80 0.17 -1.35 -1.51 -1.89 0.17 116.25 113.42 3mw6 h VAL 37 Ca 0.18 -0.11 -0.27 0.00 -1.23 0.00 0.00 66.70 65.26 3mw6 h VAL 37 Cb 0.28 0.44 0.02 0.00 -2.13 0.00 0.00 31.29 29.90 3mw6 h VAL 37 CO -0.01 0.06 -1.28 -0.26 -1.23 0.00 0.00 177.57 174.85 3mw6 h PHE 38 N 0.33 0.66 -0.28 5.19 -1.00 -1.88 -1.74 116.94 118.21 3mw6 h PHE 38 Ca 0.33 -0.48 0.06 0.00 2.81 0.00 0.00 57.97 60.69 3mw6 h PHE 38 Cb 0.83 -0.03 -0.06 0.00 3.61 0.00 0.00 35.95 40.30 3mw6 h PHE 38 CO -0.00 1.49 -0.12 -0.22 -1.61 0.00 0.00 178.31 177.85 3mw6 h LYS 39 N -0.16 -0.08 -0.58 1.51 3.64 -0.96 -2.80 116.57 117.15 3mw6 h LYS 39 Ca -0.24 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.14 3mw6 h LYS 39 Cb 1.87 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.71 3mw6 h LYS 39 CO 0.16 -0.05 0.00 0.54 -2.27 0.00 0.00 179.45 177.83 3mw6 n ARG 40 N -5.29 2.41 -3.63 1.90 3.00 0.47 -4.98 116.66 110.54 3mw6 n ARG 40 Ca -0.00 -2.10 -0.24 0.00 -0.01 0.00 0.00 57.85 55.50 3mw6 n ARG 40 Cb 0.21 -1.48 0.04 0.00 0.00 0.00 0.00 32.46 31.23 3mw6 n ARG 40 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 3mw6 n PHE 41 N 1.16 -1.98 -3.49 -1.55 3.01 -1.00 -4.98 117.46 108.62 3mw6 n PHE 41 Ca 0.19 0.69 -0.34 0.00 1.01 0.00 0.00 57.45 59.00 3mw6 n PHE 41 Cb 0.51 -3.94 -0.05 0.00 -0.01 0.00 0.00 39.48 35.99 3mw6 n PHE 41 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 3mw6 s LYS 42 N -5.75 3.83 0.09 -1.08 1.02 -0.69 -4.71 119.74 112.45 3mw6 s LYS 42 Ca 0.26 0.27 -0.36 0.00 0.02 0.00 0.00 55.97 56.16 3mw6 s LYS 42 Cb -0.08 -2.91 -0.16 0.00 -0.52 0.00 0.00 37.83 34.16 3mw6 s LYS 42 CO 0.82 0.49 1.41 -2.30 -0.92 0.00 0.00 175.35 174.85 3mw6 n PRO 43 N 0.64 1.38 -3.45 -1.68 -0.02 -1.26 -4.85 135.00 125.76 3mw6 n PRO 43 Ca -0.05 0.50 -0.37 0.00 -2.02 0.00 0.00 63.50 61.55 3mw6 n PRO 43 Cb 0.52 -2.17 -0.06 0.00 -0.02 0.00 0.00 33.50 31.77 3mw6 n PRO 43 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3mw6 s LEU 44 N 0.71 4.43 0.46 2.45 1.43 -1.26 -1.11 118.68 125.79 3mw6 s LEU 44 Ca 0.84 1.00 -0.24 0.00 -1.03 0.00 0.00 54.13 54.70 3mw6 s LEU 44 Cb -0.90 -2.84 -0.09 0.00 0.03 0.00 0.00 46.19 42.40 3mw6 s LEU 44 CO 0.45 0.25 1.16 0.00 0.23 0.00 0.00 176.35 178.44 3mw6 n ALA 45 N 1.43 0.85 -1.58 4.21 0.00 0.46 -4.59 120.51 121.29 3mw6 n ALA 45 Ca -0.11 0.20 -0.51 0.00 0.00 0.00 0.00 53.44 53.03 3mw6 n ALA 45 Cb 0.52 -2.20 -0.05 0.00 0.00 0.00 0.00 19.45 17.72 3mw6 n ALA 45 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3mw6 n LEU 46 N 0.01 1.57 0.00 0.00 7.99 -1.26 -2.82 117.00 122.49 3mw6 n LEU 46 Ca 0.09 1.13 0.00 0.00 -0.01 0.00 0.00 56.01 57.22 3mw6 n LEU 46 Cb 0.41 -1.20 0.00 0.00 -0.11 0.00 0.00 43.42 42.52 3mw6 n LEU 46 CO 0.56 -1.17 0.00 0.61 -1.51 0.00 0.00 177.39 175.88 3mw6 n GLY 47 N 2.29 0.40 0.04 -0.72 0.00 -1.26 -4.92 105.19 101.02 3mw6 n GLY 47 Ca 0.17 -0.93 0.11 0.00 0.00 0.00 0.00 46.02 45.36 3mw6 n GLY 47 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3mw6 n ILE 48 N -3.62 0.63 0.08 -0.61 0.13 -1.13 -2.84 119.36 112.01 3mw6 n ILE 48 Ca 0.00 0.11 -0.13 0.00 -1.10 0.00 0.00 62.75 61.63 3mw6 n ILE 48 Cb 0.33 -0.83 -0.08 0.00 -0.84 0.00 0.00 39.64 38.21 3mw6 n ILE 48 CO 0.00 0.00 0.00 -2.24 2.80 0.00 0.00 176.55 177.11 3mw6 h ASP 49 N 0.00 -0.19 -0.83 9.51 -0.00 -1.91 -1.27 116.42 121.72 3mw6 h ASP 49 Ca 0.00 -0.27 0.08 0.00 -0.00 0.00 0.00 57.03 56.83 3mw6 h ASP 49 Cb 0.40 0.05 -0.06 0.00 -0.00 0.00 0.00 39.33 39.73 3mw6 h ASP 49 CO 0.00 0.19 0.54 1.56 -0.00 0.00 0.00 179.24 181.54 3mw6 h GLN 50 N -0.61 0.85 -0.14 4.15 1.08 -1.94 -1.67 115.11 116.83 3mw6 h GLN 50 Ca -0.02 -0.05 -0.17 0.00 -1.45 0.00 0.00 58.65 56.95 3mw6 h GLN 50 Cb 0.45 -0.19 -0.00 0.00 -0.05 0.00 0.00 27.48 27.69 3mw6 h GLN 50 CO 0.04 0.56 -0.63 -0.44 -0.95 0.00 0.00 178.83 177.41 3mw6 h ASP 51 N 0.87 0.59 -0.35 1.46 3.32 -1.52 -1.18 116.42 119.61 3mw6 h ASP 51 Ca 0.37 -0.34 -0.12 0.00 0.02 0.00 0.00 57.03 56.96 3mw6 h ASP 51 Cb 0.30 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 3mw6 h ASP 51 CO -0.14 1.07 -0.24 0.25 -1.72 0.00 0.00 179.24 178.46 3mw6 h LEU 52 N 0.38 0.82 -0.23 1.55 5.85 -0.65 -0.95 115.31 122.08 3mw6 h LEU 52 Ca -0.01 -0.43 -0.12 0.00 0.84 0.00 0.00 57.88 58.15 3mw6 h LEU 52 Cb 1.19 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.99 3mw6 h LEU 52 CO 0.11 1.08 -0.33 0.40 -0.34 0.00 0.00 178.44 179.36 3mw6 h ILE 53 N 0.57 1.32 -0.63 4.05 2.04 -1.32 -1.21 117.51 122.34 3mw6 h ILE 53 Ca 0.07 -1.53 -0.01 0.00 1.00 0.00 0.00 64.86 64.39 3mw6 h ILE 53 Cb 0.80 1.74 -0.03 0.00 -0.74 0.00 0.00 36.82 38.60 3mw6 h ILE 53 CO 0.07 0.48 0.34 0.00 0.00 0.00 0.00 178.15 179.04 3mw6 h ALA 54 N 0.64 0.81 0.00 1.87 0.00 -1.21 -2.58 119.26 118.79 3mw6 h ALA 54 Ca 0.02 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3mw6 h ALA 54 Cb 0.91 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3mw6 h ALA 54 CO 0.08 0.33 0.00 0.00 0.00 0.00 0.00 179.25 179.65 3mw6 n ALA 55 N -2.32 2.29 -3.61 0.00 0.00 -0.36 -4.28 120.51 112.22 3mw6 n ALA 55 Ca 0.04 -0.07 -0.28 0.00 0.00 0.00 0.00 53.44 53.14 3mw6 n ALA 55 Cb 0.09 -1.46 -0.11 0.00 0.00 0.00 0.00 19.45 17.96 3mw6 n ALA 55 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3mw6 s LEU 56 N -3.61 2.66 0.39 0.00 1.43 -0.46 -4.89 118.68 114.19 3mw6 s LEU 56 Ca 0.12 -3.14 0.27 0.00 -1.03 0.00 0.00 54.13 50.35 3mw6 s LEU 56 Cb 0.16 -0.91 0.89 0.00 0.03 0.00 0.00 46.19 46.35 3mw6 s LEU 56 CO 0.55 -0.18 1.78 -0.65 0.23 0.00 0.00 176.35 178.08 3mw6 h PRO 57 N 5.90 0.00 0.00 1.29 0.11 -1.74 -3.19 132.00 134.37 3mw6 h PRO 57 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 3mw6 h PRO 57 Cb 0.87 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.98 3mw6 h PRO 57 CO 0.49 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.32 3mw6 n GLN 58 N -2.75 0.10 -4.49 1.05 6.02 -1.26 -4.78 117.38 111.26 3mw6 n GLN 58 Ca 0.03 0.22 -0.25 0.00 -0.01 0.00 0.00 57.00 56.99 3mw6 n GLN 58 Cb 0.38 -1.50 -0.08 0.00 1.02 0.00 0.00 30.24 30.06 3mw6 n GLN 58 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 3mw6 s TYR 59 N -2.74 1.78 0.17 1.08 2.02 -1.20 -5.14 117.35 113.30 3mw6 s TYR 59 Ca 0.09 -1.32 -0.20 0.00 -0.37 0.00 0.00 57.07 55.27 3mw6 s TYR 59 Cb 0.08 -1.11 -0.08 0.00 -0.40 0.00 0.00 41.96 40.45 3mw6 s TYR 59 CO 0.20 -0.36 0.67 0.34 -1.57 0.00 0.00 175.55 174.84 3mw6 s ASP 60 N -3.58 7.09 -0.00 2.29 2.15 -1.26 -4.97 116.67 118.38 3mw6 s ASP 60 Ca 0.25 1.38 0.01 0.00 0.43 0.00 0.00 52.55 54.62 3mw6 s ASP 60 Cb 0.02 -2.40 0.03 0.00 -0.30 0.00 0.00 42.92 40.27 3mw6 s ASP 60 CO 0.16 0.13 0.94 0.00 -0.17 0.00 0.00 175.17 176.22 3mw6 n ALA 61 N 1.12 2.51 -0.07 3.66 0.00 -1.26 -1.14 120.51 125.32 3mw6 n ALA 61 Ca -0.05 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.33 3mw6 n ALA 61 Cb 0.51 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.96 3mw6 n ALA 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mw6 n ALA 62 N -0.34 0.95 0.49 0.00 0.00 -1.26 -4.36 120.51 115.99 3mw6 n ALA 62 Ca 0.01 -0.03 0.06 0.00 0.00 0.00 0.00 53.44 53.48 3mw6 n ALA 62 Cb 0.07 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.44 3mw6 n ALA 62 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3mw6 n LEU 63 N -0.40 0.49 0.07 0.00 4.77 -1.10 -2.33 117.00 118.50 3mw6 n LEU 63 Ca 0.00 -0.39 -0.19 0.00 -0.03 0.00 0.00 56.01 55.41 3mw6 n LEU 63 Cb 0.02 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.01 3mw6 n LEU 63 CO 0.00 0.12 0.05 0.40 -1.33 0.00 0.00 177.39 176.63 3mw6 h ILE 64 N 0.00 1.32 -0.24 -0.08 1.08 -1.40 -3.19 117.51 115.00 3mw6 h ILE 64 Ca 0.00 -2.40 -0.14 0.00 -0.39 0.00 0.00 64.86 61.92 3mw6 h ILE 64 Cb 0.39 2.51 -0.01 0.00 -3.07 0.00 0.00 36.82 36.64 3mw6 h ILE 64 CO 0.00 0.73 -0.44 0.00 -0.69 0.00 0.00 178.15 177.75 3mw6 h ALA 65 N 0.46 0.78 -0.31 1.87 0.00 -1.76 -3.12 119.26 117.18 3mw6 h ALA 65 Ca -0.14 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.30 3mw6 h ALA 65 Cb 1.75 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.42 3mw6 h ALA 65 CO 0.21 0.66 0.16 -0.09 0.00 0.00 0.00 179.25 180.19 3mw6 h ARG 66 N 0.48 0.44 -0.50 0.00 2.43 -1.55 -1.54 114.38 114.14 3mw6 h ARG 66 Ca 0.03 -0.06 0.06 0.00 -0.81 0.00 0.00 59.98 59.21 3mw6 h ARG 66 Cb 0.96 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.40 3mw6 h ARG 66 CO 0.09 0.39 0.33 0.28 -1.51 0.00 0.00 179.97 179.55 3mw6 h VAL 67 N 0.37 0.96 -0.26 0.20 2.07 -1.54 -1.07 116.25 116.99 3mw6 h VAL 67 Ca 0.11 -0.14 -0.18 0.00 0.82 0.00 0.00 66.70 67.30 3mw6 h VAL 67 Cb 0.08 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 3mw6 h VAL 67 CO -0.02 0.08 -0.54 0.25 0.02 0.00 0.00 177.57 177.36 3mw6 h LEU 68 N 0.42 0.93 -0.42 2.57 5.85 -1.38 -2.44 115.31 120.84 3mw6 h LEU 68 Ca 0.22 -0.54 0.02 0.00 0.84 0.00 0.00 57.88 58.42 3mw6 h LEU 68 Cb 0.33 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 3mw6 h LEU 68 CO -0.06 1.30 0.23 0.00 -0.34 0.00 0.00 178.44 179.58 3mw6 h ALA 69 N 0.65 0.53 0.15 1.25 0.00 -0.22 -1.59 119.26 120.03 3mw6 h ALA 69 Ca 0.01 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.93 3mw6 h ALA 69 Cb 1.15 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 3mw6 h ALA 69 CO 0.12 -0.10 -0.21 -0.91 0.00 0.00 0.00 179.25 178.15 3mw6 h ASN 70 N 0.47 -0.58 -0.55 0.00 2.35 -1.33 -3.04 115.58 112.91 3mw6 h ASN 70 Ca 0.17 0.06 0.10 0.00 -0.55 0.00 0.00 56.30 56.08 3mw6 h ASN 70 Cb 0.04 0.21 -0.08 0.00 0.05 0.00 0.00 38.32 38.54 3mw6 h ASN 70 CO -0.09 -0.30 0.11 -0.74 -1.65 0.00 0.00 177.43 174.75 3mw6 h HIS 71 N -0.42 0.17 0.00 1.19 2.76 -1.07 -2.56 115.15 115.22 3mw6 h HIS 71 Ca 0.01 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.22 3mw6 h HIS 71 Cb 0.42 0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.39 3mw6 h HIS 71 CO -0.18 -0.02 0.00 0.00 -1.30 0.00 0.00 177.93 176.43 3mw6 n ARG 73 N -2.04 0.27 -1.75 0.00 1.85 -0.97 -4.54 116.66 109.48 3mw6 n ARG 73 Ca 0.03 -0.06 -0.42 0.00 -1.00 0.00 0.00 57.85 56.40 3mw6 n ARG 73 Cb 0.22 -1.53 -0.01 0.00 -1.05 0.00 0.00 32.46 30.09 3mw6 n ARG 73 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 3mw6 n ARG 74 N -1.85 2.62 -0.34 2.89 1.74 -1.05 -4.84 116.66 115.83 3mw6 n ARG 74 Ca 0.01 0.93 0.29 0.00 -0.77 0.00 0.00 57.85 58.30 3mw6 n ARG 74 Cb 0.43 -2.67 0.60 0.00 -1.02 0.00 0.00 32.46 29.80 3mw6 n ARG 74 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 3mw6 h PRO 75 N 3.89 0.22 -0.37 5.56 0.11 -1.93 0.31 132.00 139.80 3mw6 h PRO 75 Ca -0.48 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.56 3mw6 h PRO 75 Cb 1.24 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 3mw6 h PRO 75 CO 0.72 0.15 -0.01 -0.09 -0.21 0.00 0.00 178.00 178.56 3mw6 h ARG 76 N 0.23 0.59 -0.07 1.05 2.43 -1.92 -0.02 114.38 116.67 3mw6 h ARG 76 Ca 0.62 -0.14 -0.13 0.00 -0.81 0.00 0.00 59.98 59.53 3mw6 h ARG 76 Cb 1.90 -0.08 0.01 0.00 -0.42 0.00 0.00 29.97 31.38 3mw6 h ARG 76 CO -0.22 0.62 -0.45 -0.92 -1.51 0.00 0.00 179.97 177.48 3mw6 h TYR 77 N 0.56 0.58 -0.89 2.20 3.20 -1.19 -1.68 116.97 119.75 3mw6 h TYR 77 Ca 0.12 -0.27 0.18 0.00 3.14 0.00 0.00 58.73 61.90 3mw6 h TYR 77 Cb 0.37 -0.09 -0.11 0.00 1.54 0.00 0.00 36.73 38.45 3mw6 h TYR 77 CO 0.01 1.04 0.45 -0.07 -1.64 0.00 0.00 178.16 177.96 3mw6 h LEU 78 N -0.04 0.50 -0.62 2.82 3.38 -1.25 0.12 115.31 120.23 3mw6 h LEU 78 Ca -0.04 0.12 -0.11 0.00 0.09 0.00 0.00 57.88 57.94 3mw6 h LEU 78 Cb 1.11 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.89 3mw6 h LEU 78 CO 0.09 0.14 -0.09 0.11 0.09 0.00 0.00 178.44 178.78 3mw6 h LYS 79 N 0.56 0.99 -0.70 1.13 1.57 -0.86 -0.20 116.57 119.06 3mw6 h LYS 79 Ca 0.52 -0.35 -0.04 0.00 -1.87 0.00 0.00 60.65 58.91 3mw6 h LYS 79 Cb 0.85 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 33.06 3mw6 h LYS 79 CO -0.43 1.03 0.27 0.00 -0.57 0.00 0.00 179.45 179.75 3mw6 h ALA 80 N 0.99 1.16 -0.67 3.86 0.00 -0.09 -0.97 119.26 123.54 3mw6 h ALA 80 Ca 0.14 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 3mw6 h ALA 80 Cb 0.65 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3mw6 h ALA 80 CO 0.04 0.60 0.16 -0.07 0.00 0.00 0.00 179.25 179.99 3mw6 h LEU 81 N 1.01 1.03 -1.40 0.00 4.07 -0.37 -2.58 115.31 117.06 3mw6 h LEU 81 Ca 0.23 -0.23 -0.06 0.00 0.08 0.00 0.00 57.88 57.90 3mw6 h LEU 81 Cb 0.21 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 41.67 3mw6 h LEU 81 CO -0.02 0.99 -0.30 0.00 -1.08 0.00 0.00 178.44 178.04 3mw6 h ALA 82 N 1.07 1.41 -0.37 1.53 0.00 -0.50 -2.41 119.26 119.99 3mw6 h ALA 82 Ca 0.21 -0.27 -0.15 0.00 0.00 0.00 0.00 54.91 54.70 3mw6 h ALA 82 Cb 0.37 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3mw6 h ALA 82 CO 0.00 0.37 -0.37 -0.09 0.00 0.00 0.00 179.25 179.17 3mw6 h ARG 83 N 0.00 0.86 0.00 0.00 2.43 -0.84 -3.46 114.38 113.37 3mw6 h ARG 83 Ca -0.00 -0.44 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 3mw6 h ARG 83 Cb 0.56 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 3mw6 h ARG 83 CO 0.04 1.08 0.00 0.41 -1.51 0.00 0.00 179.97 179.99 3mw6 n GLY 84 N 0.07 -1.63 5.81 2.80 0.00 -0.91 -5.09 105.19 106.24 3mw6 n GLY 84 Ca -0.02 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.51 3mw6 n GLY 84 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mw6 n GLY 85 N 0.00 -1.53 3.71 -0.02 0.00 -1.26 -4.88 105.19 101.21 3mw6 n GLY 85 Ca 0.00 -1.42 -0.31 0.00 0.00 0.00 0.00 46.02 44.28 3mw6 n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3mw6 s LYS 86 N 0.00 1.64 0.35 1.61 -0.14 -1.26 -0.85 119.74 121.09 3mw6 s LYS 86 Ca 0.00 1.45 0.07 0.00 -1.36 0.00 0.00 55.97 56.13 3mw6 s LYS 86 Cb 0.00 -1.81 -0.01 0.00 -1.68 0.00 0.00 37.83 34.33 3mw6 s LYS 86 CO 0.00 -2.15 0.41 1.03 -0.76 0.00 0.00 175.35 173.88 3mw6 s ARG 87 N -4.62 2.89 -0.01 1.68 0.52 -0.21 -4.56 118.95 114.65 3mw6 s ARG 87 Ca 0.66 -1.19 0.03 0.00 -0.52 0.00 0.00 55.73 54.71 3mw6 s ARG 87 Cb -0.22 -2.65 -0.01 0.00 0.52 0.00 0.00 34.95 32.60 3mw6 s ARG 87 CO 0.55 0.01 -0.08 -0.06 0.02 0.00 0.00 175.30 175.74 3mw6 s PHE 88 N -2.27 0.74 0.75 -0.53 0.08 -0.26 -0.51 117.98 115.98 3mw6 s PHE 88 Ca 0.45 -0.14 -0.04 0.00 0.12 0.00 0.00 56.93 57.32 3mw6 s PHE 88 Cb -0.08 -0.48 0.13 0.00 -0.57 0.00 0.00 43.02 42.02 3mw6 s PHE 88 CO 0.29 -0.02 1.03 0.16 -0.10 0.00 0.00 175.22 176.59 3mw6 s ASP 89 N -0.17 4.25 0.58 1.36 -4.77 -0.63 -0.40 116.67 116.89 3mw6 s ASP 89 Ca 0.03 -0.17 0.28 0.00 -3.30 0.00 0.00 52.55 49.39 3mw6 s ASP 89 Cb -0.03 -0.21 1.64 0.00 -1.09 0.00 0.00 42.92 43.22 3mw6 s ASP 89 CO -0.00 -1.93 2.10 -0.07 0.70 0.00 0.00 175.17 175.96 3mw6 h LEU 90 N -0.67 0.00 -2.13 2.11 3.38 -1.97 0.23 115.31 116.25 3mw6 h LEU 90 Ca -0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.58 3mw6 h LEU 90 Cb 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 3mw6 h LEU 90 CO 0.42 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.54 3mw6 n ASN 91 N -3.84 3.17 -3.75 -0.43 3.02 -1.26 -4.69 115.26 107.48 3mw6 n ASN 91 Ca 0.02 -2.37 -0.27 0.00 -0.03 0.00 0.00 54.58 51.93 3mw6 n ASN 91 Cb 0.33 -0.51 0.05 0.00 -0.61 0.00 0.00 39.78 39.04 3mw6 n ASN 91 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3mw6 n ASN 92 N 0.42 -5.69 -4.54 6.41 2.85 0.82 -5.00 115.26 110.53 3mw6 n ASN 92 Ca 0.14 -0.65 -0.31 0.00 -0.11 0.00 0.00 54.58 53.65 3mw6 n ASN 92 Cb 0.65 -4.50 -0.11 0.00 1.24 0.00 0.00 39.78 37.06 3mw6 n ASN 92 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 3mw6 s ARG 93 N -6.46 2.29 0.12 1.20 0.52 -1.26 -4.88 118.95 110.48 3mw6 s ARG 93 Ca 0.63 -0.88 -0.35 0.00 -0.52 0.00 0.00 55.73 54.61 3mw6 s ARG 93 Cb -0.30 -2.35 -0.16 0.00 0.52 0.00 0.00 34.95 32.67 3mw6 s ARG 93 CO 0.78 0.56 1.32 1.19 0.02 0.00 0.00 175.30 179.16 3mw6 n PHE 94 N 1.39 1.54 -3.33 -0.53 3.72 -1.26 -1.60 117.46 117.39 3mw6 n PHE 94 Ca -0.15 0.61 -0.13 0.00 -0.05 0.00 0.00 57.45 57.72 3mw6 n PHE 94 Cb 0.52 -2.34 -0.06 0.00 -0.94 0.00 0.00 39.48 36.66 3mw6 n PHE 94 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 3mw6 s LYS 95 N 0.26 0.66 1.95 -1.08 2.20 0.34 -4.81 119.74 119.26 3mw6 s LYS 95 Ca 0.80 -0.71 0.00 0.00 -0.36 0.00 0.00 55.97 55.70 3mw6 s LYS 95 Cb -0.89 -0.56 0.00 0.00 -1.51 0.00 0.00 37.83 34.87 3mw6 s LYS 95 CO 0.48 -1.19 0.00 0.41 -0.36 0.00 0.00 175.35 174.69 3mw6 n GLY 96 N 4.33 -1.49 3.78 5.54 0.00 -1.26 -4.30 105.19 111.79 3mw6 n GLY 96 Ca 0.11 -1.33 -0.03 0.00 0.00 0.00 0.00 46.02 44.76 3mw6 n GLY 96 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3mw6 s GLU 97 N 0.00 1.19 -0.05 1.61 -1.05 -1.26 -1.04 118.70 118.10 3mw6 s GLU 97 Ca 0.00 -0.70 -0.28 0.00 -0.15 0.00 0.00 54.97 53.84 3mw6 s GLU 97 Cb 0.00 0.38 -0.03 0.00 -0.44 0.00 0.00 34.13 34.04 3mw6 s GLU 97 CO 0.00 -0.55 0.89 0.08 0.95 0.00 0.00 175.26 176.63 3mw6 s VAL 98 N -2.87 4.91 0.65 1.83 1.01 -0.03 -4.70 120.40 121.20 3mw6 s VAL 98 Ca 0.15 1.85 -0.11 0.00 0.00 0.00 0.00 61.98 63.88 3mw6 s VAL 98 Cb -0.01 -4.23 -0.02 0.00 0.00 0.00 0.00 36.38 32.12 3mw6 s VAL 98 CO 0.03 0.15 1.04 0.42 0.00 0.00 0.00 175.10 176.74 3mw6 s THR 99 N 1.21 4.39 0.14 3.92 -4.23 -1.26 -4.61 115.64 115.20 3mw6 s THR 99 Ca 0.46 0.78 -0.19 0.00 -1.18 0.00 0.00 61.69 61.56 3mw6 s THR 99 Cb -0.19 -3.67 0.01 0.00 1.34 0.00 0.00 72.50 69.99 3mw6 s THR 99 CO 0.22 -1.02 1.69 -0.65 -0.54 0.00 0.00 174.62 174.32 3mw6 h PRO 100 N -0.49 -0.03 -0.54 3.99 0.11 -1.99 -1.08 132.00 131.97 3mw6 h PRO 100 Ca -0.44 0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.75 3mw6 h PRO 100 Cb 1.20 0.01 -0.07 0.00 0.11 0.00 0.00 31.00 32.25 3mw6 h PRO 100 CO 0.60 -0.02 0.18 1.49 -0.21 0.00 0.00 178.00 180.03 3mw6 h GLU 101 N -0.03 0.33 -0.24 1.05 4.81 -2.00 -0.50 114.58 118.00 3mw6 h GLU 101 Ca 0.13 -0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.21 3mw6 h GLU 101 Cb 0.23 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 3mw6 h GLU 101 CO -0.28 0.22 -0.37 1.05 -0.73 0.00 0.00 179.01 178.90 3mw6 h GLU 102 N 0.34 0.53 -0.55 1.92 4.11 -1.88 -2.30 114.58 116.75 3mw6 h GLU 102 Ca 0.27 -0.25 -0.02 0.00 0.07 0.00 0.00 59.36 59.42 3mw6 h GLU 102 Cb 0.32 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 3mw6 h GLU 102 CO -0.29 0.82 0.26 0.37 0.07 0.00 0.00 179.01 180.24 3mw6 h GLN 103 N 0.45 0.80 -0.55 1.06 4.15 -0.43 -1.84 115.11 118.74 3mw6 h GLN 103 Ca 0.05 -0.12 -0.08 0.00 0.77 0.00 0.00 58.65 59.26 3mw6 h GLN 103 Cb 0.85 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 28.37 3mw6 h GLN 103 CO 0.07 0.66 0.03 0.00 -1.93 0.00 0.00 178.83 177.66 3mw6 h ALA 104 N 1.10 0.74 -0.57 3.38 0.00 -0.98 -1.42 119.26 121.51 3mw6 h ALA 104 Ca 0.19 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 3mw6 h ALA 104 Cb 0.13 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3mw6 h ALA 104 CO -0.02 0.53 0.03 0.82 0.00 0.00 0.00 179.25 180.61 3mw6 h ILE 105 N 0.83 1.25 -0.70 0.00 2.04 -1.26 -1.92 117.51 117.75 3mw6 h ILE 105 Ca 0.16 -1.05 -0.06 0.00 1.00 0.00 0.00 64.86 64.91 3mw6 h ILE 105 Cb 0.49 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.33 3mw6 h ILE 105 CO 0.02 0.38 0.21 0.00 0.00 0.00 0.00 178.15 178.76 3mw6 h ALA 106 N 1.14 1.05 -0.18 1.87 0.00 -1.22 -2.44 119.26 119.49 3mw6 h ALA 106 Ca 0.17 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 3mw6 h ALA 106 Cb 0.47 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3mw6 h ALA 106 CO 0.02 0.64 -0.32 1.96 0.00 0.00 0.00 179.25 181.55 3mw6 h GLN 107 N 1.04 0.35 -0.01 0.00 4.20 -0.81 -2.90 115.11 116.98 3mw6 h GLN 107 Ca 0.23 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.79 3mw6 h GLN 107 Cb 0.31 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.07 3mw6 h GLN 107 CO -0.01 0.64 -0.24 0.09 -0.67 0.00 0.00 178.83 178.65 3mw6 n ASN 108 N -4.09 0.91 -4.76 1.46 3.02 -0.76 -3.84 115.26 107.20 3mw6 n ASN 108 Ca -0.01 -0.81 -0.39 0.00 -0.03 0.00 0.00 54.58 53.34 3mw6 n ASN 108 Cb 0.43 0.10 0.01 0.00 -0.61 0.00 0.00 39.78 39.71 3mw6 n ASN 108 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 3mw6 s HIS 109 N -2.51 2.57 0.40 3.10 2.46 -0.93 -4.69 115.29 115.69 3mw6 s HIS 109 Ca 0.25 1.36 0.17 0.00 0.47 0.00 0.00 55.06 57.30 3mw6 s HIS 109 Cb 0.19 -3.77 1.05 0.00 -0.13 0.00 0.00 32.58 29.93 3mw6 s HIS 109 CO 0.52 -2.53 1.83 -1.35 -2.47 0.00 0.00 174.74 170.73 3mw6 h PRO 110 N 2.22 0.43 0.00 2.88 0.11 -1.90 0.76 132.00 136.49 3mw6 h PRO 110 Ca -0.50 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3mw6 h PRO 110 Cb 1.27 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3mw6 h PRO 110 CO 0.61 0.28 0.00 0.74 -0.21 0.00 0.00 178.00 179.42 3mw6 h PHE 111 N 0.44 0.00 0.00 0.65 0.05 -1.93 -3.37 116.94 112.78 3mw6 h PHE 111 Ca 0.51 0.00 -0.27 0.00 3.82 0.00 0.00 57.97 62.03 3mw6 h PHE 111 Cb 1.22 0.00 -0.05 0.00 2.00 0.00 0.00 35.95 39.12 3mw6 h PHE 111 CO -0.00 0.00 -2.01 0.28 -0.18 0.00 0.00 178.31 176.40 3mw6 n VAL 112 N -3.09 1.02 1.46 -0.55 0.31 0.13 -5.00 118.33 112.60 3mw6 n VAL 112 Ca 0.02 -0.41 0.14 0.00 -0.01 0.00 0.00 64.34 64.07 3mw6 n VAL 112 Cb 0.38 -1.08 0.49 0.00 -0.91 0.00 0.00 33.84 32.72 3mw6 n VAL 112 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18