#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mw6 s GLU 4 N 0.00 4.47 0.31 2.61 2.12 -1.26 -5.06 118.70 121.89 3mw6 s GLU 4 Ca 0.00 1.02 0.01 0.00 0.36 0.00 0.00 54.97 56.36 3mw6 s GLU 4 Cb 0.00 -3.38 -0.03 0.00 0.26 0.00 0.00 34.13 30.97 3mw6 s GLU 4 CO 0.00 0.23 0.50 0.99 -0.54 0.00 0.00 175.26 176.44 3mw6 s THR 5 N 0.15 5.14 0.19 -1.70 2.01 -1.26 -4.97 115.64 115.20 3mw6 s THR 5 Ca 0.38 -0.52 -0.12 0.00 0.31 0.00 0.00 61.69 61.75 3mw6 s THR 5 Cb -0.20 -3.84 0.12 0.00 0.01 0.00 0.00 72.50 68.58 3mw6 s THR 5 CO 0.22 -0.47 1.86 0.00 -0.69 0.00 0.00 174.62 175.54 3mw6 h ALA 6 N 0.99 0.83 -0.61 7.40 0.00 -1.99 -0.48 119.26 125.40 3mw6 h ALA 6 Ca -0.50 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.33 3mw6 h ALA 6 Cb 1.22 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 3mw6 h ALA 6 CO 0.62 0.25 0.26 1.25 0.00 0.00 0.00 179.25 181.63 3mw6 h LEU 7 N 0.88 0.84 -0.41 0.00 7.12 -1.99 -1.99 115.31 119.76 3mw6 h LEU 7 Ca 0.24 -0.16 0.02 0.00 0.13 0.00 0.00 57.88 58.11 3mw6 h LEU 7 Cb -0.10 -0.22 -0.03 0.00 -0.53 0.00 0.00 40.66 39.79 3mw6 h LEU 7 CO -0.05 0.77 0.23 1.23 -0.13 0.00 0.00 178.44 180.49 3mw6 h GLY 8 N 0.85 0.57 1.24 3.75 0.00 -1.87 -0.69 103.07 106.92 3mw6 h GLY 8 Ca 0.21 -0.17 -0.09 0.00 0.00 0.00 0.00 47.33 47.27 3mw6 h GLY 8 CO -0.02 0.15 -0.06 0.00 0.00 0.00 0.00 176.54 176.61 3mw6 h ALA 9 N 1.19 0.94 -0.06 3.60 0.00 -0.89 -1.64 119.26 122.40 3mw6 h ALA 9 Ca 0.16 -0.31 -0.14 0.00 0.00 0.00 0.00 54.91 54.63 3mw6 h ALA 9 Cb 0.02 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3mw6 h ALA 9 CO -0.08 0.63 -0.58 0.00 0.00 0.00 0.00 179.25 179.22 3mw6 h ALA 10 N 1.10 0.91 0.25 0.00 0.00 -1.12 -1.87 119.26 118.54 3mw6 h ALA 10 Ca 0.14 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 3mw6 h ALA 10 Cb 0.57 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3mw6 h ALA 10 CO 0.03 0.71 -0.12 1.25 0.00 0.00 0.00 179.25 181.13 3mw6 h LEU 11 N 0.15 -0.29 -0.62 0.00 7.12 -0.75 -0.79 115.31 120.13 3mw6 h LEU 11 Ca -0.00 -0.11 0.12 0.00 0.13 0.00 0.00 57.88 58.01 3mw6 h LEU 11 Cb 1.06 0.07 -0.09 0.00 -0.53 0.00 0.00 40.66 41.18 3mw6 h LEU 11 CO 0.09 -0.06 0.16 0.11 -0.13 0.00 0.00 178.44 178.60 3mw6 h LYS 12 N -0.51 0.29 -0.23 1.25 1.57 -1.26 -0.00 116.57 117.68 3mw6 h LYS 12 Ca -0.03 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.74 3mw6 h LYS 12 Cb 0.38 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.61 3mw6 h LYS 12 CO 0.06 0.19 0.12 0.77 -0.57 0.00 0.00 179.45 180.02 3mw6 h SER 13 N 0.29 0.19 -0.16 0.86 0.02 -1.22 -1.18 113.55 112.35 3mw6 h SER 13 Ca 0.33 0.01 0.03 0.00 -0.84 0.00 0.00 61.79 61.31 3mw6 h SER 13 Cb 0.48 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.96 3mw6 h SER 13 CO -0.40 0.14 -0.02 0.00 -1.14 0.00 0.00 176.83 175.42 3mw6 h ALA 14 N 1.11 0.12 -0.57 3.77 0.00 -0.30 -1.30 119.26 122.09 3mw6 h ALA 14 Ca 0.09 0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.14 3mw6 h ALA 14 Cb 0.01 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.83 3mw6 h ALA 14 CO -0.05 -0.46 0.21 0.28 0.00 0.00 0.00 179.25 179.23 3mw6 h VAL 15 N 0.03 0.79 -0.26 0.00 2.07 -0.89 -1.58 116.25 116.41 3mw6 h VAL 15 Ca 0.08 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 3mw6 h VAL 15 Cb 0.11 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 3mw6 h VAL 15 CO -0.15 0.07 0.11 1.56 0.02 0.00 0.00 177.57 179.18 3mw6 h GLN 16 N 0.39 0.36 -3.67 1.57 4.20 -0.59 -3.39 115.11 113.98 3mw6 h GLN 16 Ca 0.28 -0.04 -0.39 0.00 0.06 0.00 0.00 58.65 58.57 3mw6 h GLN 16 Cb 0.33 -0.07 0.02 0.00 0.30 0.00 0.00 27.48 28.06 3mw6 h GLN 16 CO -0.28 0.30 2.40 0.25 -0.67 0.00 0.00 178.83 180.83 3mw6 n THR 17 N -4.43 2.08 0.00 -0.54 -2.24 -0.55 -4.30 114.28 104.30 3mw6 n THR 17 Ca 0.01 -1.32 0.00 0.00 -2.27 0.00 0.00 64.05 60.47 3mw6 n THR 17 Cb 0.12 -2.10 0.00 0.00 -2.10 0.00 0.00 70.33 66.25 3mw6 n THR 17 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3mw6 n SER 19 N 4.86 0.00 -0.03 3.42 2.88 -1.26 -4.53 113.62 118.95 3mw6 n SER 19 Ca 0.41 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.85 3mw6 n SER 19 Cb 0.16 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.58 3mw6 n SER 19 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 3mw6 h LYS 20 N 0.38 0.23 -0.77 -1.46 3.64 -1.98 0.74 116.57 117.34 3mw6 h LYS 20 Ca 0.00 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.35 3mw6 h LYS 20 Cb 0.00 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 31.73 3mw6 h LYS 20 CO 0.00 0.15 0.43 -0.22 -2.27 0.00 0.00 179.45 177.54 3mw6 h LYS 21 N 0.23 1.07 -0.15 1.90 3.64 -1.96 -0.98 116.57 120.32 3mw6 h LYS 21 Ca 0.06 -0.12 -0.16 0.00 -1.27 0.00 0.00 60.65 59.16 3mw6 h LYS 21 Cb -0.02 -0.21 0.01 0.00 -0.41 0.00 0.00 32.23 31.59 3mw6 h LYS 21 CO -0.01 0.79 -0.52 -0.22 -2.27 0.00 0.00 179.45 177.22 3mw6 h LYS 22 N 1.07 0.62 -0.73 1.90 1.63 -1.76 -2.57 116.57 116.72 3mw6 h LYS 22 Ca 0.27 -0.46 0.04 0.00 -0.85 0.00 0.00 60.65 59.65 3mw6 h LYS 22 Cb 0.02 0.08 -0.04 0.00 -0.60 0.00 0.00 32.23 31.70 3mw6 h LYS 22 CO -0.04 1.09 0.48 0.37 -3.45 0.00 0.00 179.45 177.89 3mw6 h GLN 23 N 0.28 0.82 -0.48 1.90 4.15 0.59 -2.87 115.11 119.50 3mw6 h GLN 23 Ca -0.02 -0.05 -0.09 0.00 0.77 0.00 0.00 58.65 59.26 3mw6 h GLN 23 Cb 1.15 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 28.64 3mw6 h GLN 23 CO 0.11 0.54 -0.04 1.15 -1.93 0.00 0.00 178.83 178.66 3mw6 h THR 24 N 0.85 1.27 0.00 2.39 2.02 -1.06 -1.06 112.91 117.31 3mw6 h THR 24 Ca 0.30 -1.13 0.00 0.00 0.77 0.00 0.00 66.41 66.35 3mw6 h THR 24 Cb 0.11 1.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.56 3mw6 h THR 24 CO -0.09 0.39 0.00 -0.62 0.37 0.00 0.00 175.52 175.57 3mw6 n GLU 25 N -4.31 0.19 0.00 6.66 1.02 -0.98 -2.40 120.64 120.82 3mw6 n GLU 25 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3mw6 n GLU 25 Cb 0.34 -1.37 0.00 0.00 -0.02 0.00 0.00 31.44 30.39 3mw6 n GLU 25 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3mw6 n ILE 27 N 0.85 0.00 0.00 -3.67 5.41 -0.40 -1.49 119.36 120.06 3mw6 n ILE 27 Ca 0.00 0.00 -0.12 0.00 1.00 0.00 0.00 62.75 63.63 3mw6 n ILE 27 Cb 0.09 0.00 -0.07 0.00 -0.71 0.00 0.00 39.64 38.95 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 0.06 -0.56 -1.39 0.00 -1.74 -0.32 119.26 115.30 3mw6 h ALA 28 Ca 0.00 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.84 3mw6 h ALA 28 Cb 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 3mw6 h ALA 28 CO 0.00 -0.36 0.34 -0.44 0.00 0.00 0.00 179.25 178.80 3mw6 h ASP 29 N -0.10 0.56 0.03 0.00 3.32 -1.54 0.85 116.42 119.55 3mw6 h ASP 29 Ca 0.01 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.09 3mw6 h ASP 29 Cb 0.17 -0.12 -0.04 0.00 0.22 0.00 0.00 39.33 39.56 3mw6 h ASP 29 CO -0.00 0.40 -0.23 -0.74 -1.72 0.00 0.00 179.24 176.94 3mw6 h HIS 30 N 0.68 -0.62 -0.26 4.55 2.76 -1.76 -1.12 115.15 119.39 3mw6 h HIS 30 Ca 0.22 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.38 3mw6 h HIS 30 Cb 0.01 0.27 -0.01 0.00 1.55 0.00 0.00 27.41 29.23 3mw6 h HIS 30 CO -0.06 -0.32 0.04 0.82 -1.30 0.00 0.00 177.93 177.11 3mw6 h ILE 31 N -0.38 1.23 0.00 6.26 2.04 -0.45 0.76 117.51 126.97 3mw6 h ILE 31 Ca 0.05 -0.79 -0.04 0.00 1.00 0.00 0.00 64.86 65.09 3mw6 h ILE 31 Cb 0.45 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.78 3mw6 h ILE 31 CO -0.19 0.25 -0.17 1.88 0.00 0.00 0.00 178.15 179.92 3mw6 h TYR 32 N 0.23 0.00 0.21 1.37 -1.99 -0.87 -1.40 116.97 114.53 3mw6 h TYR 32 Ca 0.08 0.00 -0.31 0.00 2.00 0.00 0.00 58.73 60.50 3mw6 h TYR 32 Cb 0.34 0.00 0.03 0.00 2.00 0.00 0.00 36.73 39.10 3mw6 h TYR 32 CO 0.02 0.17 -1.42 0.78 -0.00 0.00 0.00 178.16 177.72 3mw6 h GLY 33 N 2.16 0.52 0.87 3.88 0.00 -0.82 -3.40 103.07 106.28 3mw6 h GLY 33 Ca -0.00 -1.32 -0.33 0.00 0.00 0.00 0.00 47.33 45.68 3mw6 h GLY 33 CO 0.02 1.16 -1.80 1.70 0.00 0.00 0.00 176.54 177.62 3mw6 h LYS 34 N 0.01 0.16 -4.82 4.80 3.64 -0.83 -3.46 116.57 116.06 3mw6 h LYS 34 Ca -0.26 -0.27 -0.67 0.00 -1.27 0.00 0.00 60.65 58.17 3mw6 h LYS 34 Cb 2.04 0.10 -0.26 0.00 -0.41 0.00 0.00 32.23 33.70 3mw6 h LYS 34 CO 0.22 0.92 -0.63 0.71 -2.27 0.00 0.00 179.45 178.40 3mw6 s TYR 35 N -2.58 3.14 0.38 1.91 1.51 -0.53 -4.98 117.35 116.19 3mw6 s TYR 35 Ca -0.13 -0.96 0.05 0.00 -1.01 0.00 0.00 57.07 55.02 3mw6 s TYR 35 Cb 0.07 -2.24 0.76 0.00 -0.11 0.00 0.00 41.96 40.44 3mw6 s TYR 35 CO 0.81 -0.57 2.01 -0.44 -1.11 0.00 0.00 175.55 176.25 3mw6 h ASP 36 N 8.22 0.53 -0.26 2.29 3.32 -1.88 -1.59 116.42 127.05 3mw6 h ASP 36 Ca -0.32 -0.03 -0.00 0.00 0.02 0.00 0.00 57.03 56.70 3mw6 h ASP 36 Cb 1.13 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.53 3mw6 h ASP 36 CO 0.60 0.43 0.16 -0.37 -1.72 0.00 0.00 179.24 178.34 3mw6 h VAL 37 N 0.61 1.08 0.07 -1.35 -1.51 -1.88 0.29 116.25 113.56 3mw6 h VAL 37 Ca 0.16 -0.18 -0.14 0.00 -1.23 0.00 0.00 66.70 65.31 3mw6 h VAL 37 Cb 0.00 0.70 0.01 0.00 -2.13 0.00 0.00 31.29 29.88 3mw6 h VAL 37 CO -0.03 0.08 -0.59 -0.26 -1.23 0.00 0.00 177.57 175.55 3mw6 h PHE 38 N 0.37 0.46 -0.35 5.19 -1.00 -1.72 -1.72 116.94 118.17 3mw6 h PHE 38 Ca 0.10 -0.30 -0.02 0.00 2.81 0.00 0.00 57.97 60.57 3mw6 h PHE 38 Cb -0.01 -0.03 -0.02 0.00 3.61 0.00 0.00 35.95 39.50 3mw6 h PHE 38 CO 0.00 1.18 0.15 -0.22 -1.61 0.00 0.00 178.31 177.81 3mw6 h LYS 39 N -0.40 0.48 -0.49 1.51 3.64 -0.90 -2.32 116.57 118.09 3mw6 h LYS 39 Ca -0.09 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 3mw6 h LYS 39 Cb 1.40 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.12 3mw6 h LYS 39 CO 0.11 0.39 0.00 0.54 -2.27 0.00 0.00 179.45 178.23 3mw6 n ARG 40 N -4.41 2.54 -3.72 1.90 3.00 0.06 -5.00 116.66 111.04 3mw6 n ARG 40 Ca 0.02 -2.36 -0.31 0.00 -0.01 0.00 0.00 57.85 55.19 3mw6 n ARG 40 Cb 0.13 -1.50 0.04 0.00 0.00 0.00 0.00 32.46 31.13 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 1.43 -1.87 -3.38 -1.55 3.01 -0.87 -4.97 117.46 109.26 3mw6 n PHE 41 Ca 0.20 0.48 -0.31 0.00 1.01 0.00 0.00 57.45 58.83 3mw6 n PHE 41 Cb 0.59 -3.49 -0.05 0.00 -0.01 0.00 0.00 39.48 36.52 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 -6.07 3.78 0.11 -1.08 1.02 -0.68 -4.77 119.74 112.05 3mw6 s LYS 42 Ca 0.41 0.25 -0.35 0.00 0.02 0.00 0.00 55.97 56.31 3mw6 s LYS 42 Cb -0.15 -2.63 -0.14 0.00 -0.52 0.00 0.00 37.83 34.38 3mw6 s LYS 42 CO 0.86 0.29 1.57 -2.30 -0.92 0.00 0.00 175.35 174.85 3mw6 n PRO 43 N -0.29 1.93 -3.34 -1.68 -0.02 -1.26 -4.87 135.00 125.47 3mw6 n PRO 43 Ca 0.00 0.70 -0.38 0.00 -2.02 0.00 0.00 63.50 61.80 3mw6 n PRO 43 Cb 0.53 -2.45 -0.06 0.00 -0.02 0.00 0.00 33.50 31.50 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 1.27 4.51 0.63 2.45 1.43 -1.26 -0.69 118.68 127.01 3mw6 s LEU 44 Ca 0.82 1.16 -0.19 0.00 -1.03 0.00 0.00 54.13 54.90 3mw6 s LEU 44 Cb -0.74 -2.80 -0.02 0.00 0.03 0.00 0.00 46.19 42.66 3mw6 s LEU 44 CO 0.42 0.28 1.29 0.00 0.23 0.00 0.00 176.35 178.57 3mw6 s ALA 45 N -1.04 2.44 0.15 4.21 0.00 -0.46 -4.66 121.76 122.40 3mw6 s ALA 45 Ca 0.27 1.21 -0.33 0.00 0.00 0.00 0.00 51.96 53.11 3mw6 s ALA 45 Cb -0.19 -3.54 -0.17 0.00 0.00 0.00 0.00 23.12 19.22 3mw6 s ALA 45 CO 0.17 -1.52 1.00 -0.11 0.00 0.00 0.00 175.76 175.30 3mw6 n LEU 46 N -1.77 0.62 0.00 0.00 7.94 -1.26 -2.62 117.00 119.91 3mw6 n LEU 46 Ca 0.15 1.14 0.00 0.00 -1.11 0.00 0.00 56.01 56.20 3mw6 n LEU 46 Cb 0.48 -1.10 0.00 0.00 0.53 0.00 0.00 43.42 43.33 3mw6 n LEU 46 CO 0.47 -1.79 0.00 0.61 -1.11 0.00 0.00 177.39 175.57 3mw6 n GLY 47 N 1.87 0.47 0.30 -3.96 0.00 -1.26 -4.92 105.19 97.68 3mw6 n GLY 47 Ca 0.16 -0.40 0.02 0.00 0.00 0.00 0.00 46.02 45.81 3mw6 n GLY 47 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3mw6 h ILE 48 N 0.00 1.14 -0.27 -0.61 6.09 -1.87 -2.28 117.51 119.71 3mw6 h ILE 48 Ca 0.00 -0.39 0.06 0.00 -1.37 0.00 0.00 64.86 63.16 3mw6 h ILE 48 Cb 0.00 0.62 -0.07 0.00 0.47 0.00 0.00 36.82 37.84 3mw6 h ILE 48 CO 0.00 0.16 -0.20 -2.24 -3.07 0.00 0.00 178.15 172.80 3mw6 h ASP 49 N 0.56 -0.64 -0.43 2.19 -0.00 -1.91 0.52 116.42 116.71 3mw6 h ASP 49 Ca 0.14 0.13 -0.04 0.00 -0.00 0.00 0.00 57.03 57.26 3mw6 h ASP 49 Cb 0.06 0.32 -0.02 0.00 -0.00 0.00 0.00 39.33 39.69 3mw6 h ASP 49 CO -0.02 -0.23 0.13 1.56 -0.00 0.00 0.00 179.24 180.67 3mw6 h GLN 50 N -0.18 0.75 -0.63 4.15 1.08 -1.84 -1.45 115.11 116.98 3mw6 h GLN 50 Ca 0.15 -0.14 -0.07 0.00 -1.45 0.00 0.00 58.65 57.14 3mw6 h GLN 50 Cb 0.41 -0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 27.69 3mw6 h GLN 50 CO -0.38 0.67 0.13 -0.44 -0.95 0.00 0.00 178.83 177.87 3mw6 h ASP 51 N 0.72 0.97 -0.42 1.46 3.32 -0.90 -1.18 116.42 120.41 3mw6 h ASP 51 Ca 0.16 -0.24 -0.03 0.00 0.02 0.00 0.00 57.03 56.94 3mw6 h ASP 51 Cb 0.26 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 3mw6 h ASP 51 CO -0.00 0.97 0.14 -0.07 -1.72 0.00 0.00 179.24 178.55 3mw6 h LEU 52 N 0.94 0.61 -0.26 1.55 3.38 -0.62 -0.84 115.31 120.07 3mw6 h LEU 52 Ca 0.20 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3mw6 h LEU 52 Cb 0.39 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3mw6 h LEU 52 CO 0.01 0.64 0.16 0.40 0.09 0.00 0.00 178.44 179.74 3mw6 h ILE 53 N 0.54 1.09 -0.79 1.22 2.04 -1.09 0.57 117.51 121.09 3mw6 h ILE 53 Ca 0.14 -0.21 -0.03 0.00 1.00 0.00 0.00 64.86 65.75 3mw6 h ILE 53 Cb 0.25 0.76 -0.04 0.00 -0.74 0.00 0.00 36.82 37.06 3mw6 h ILE 53 CO -0.01 0.09 0.37 0.00 0.00 0.00 0.00 178.15 178.61 3mw6 h ALA 54 N 1.06 1.17 0.00 1.87 0.00 -1.16 -2.98 119.26 119.22 3mw6 h ALA 54 Ca 0.09 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3mw6 h ALA 54 Cb 0.01 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.48 3mw6 h ALA 54 CO -0.02 0.63 0.00 0.00 0.00 0.00 0.00 179.25 179.86 3mw6 h ALA 55 N 1.28 1.00 -2.22 0.00 0.00 -0.58 -3.37 119.26 115.36 3mw6 h ALA 55 Ca 0.27 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.58 3mw6 h ALA 55 Cb 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 17.79 17.49 3mw6 h ALA 55 CO -0.03 0.00 -0.63 1.28 0.00 0.00 0.00 179.25 179.86 3mw6 n LEU 56 N -2.89 3.42 0.14 0.00 4.77 0.14 -4.89 117.00 117.69 3mw6 n LEU 56 Ca 0.04 -5.37 0.13 0.00 -0.03 0.00 0.00 56.01 50.78 3mw6 n LEU 56 Cb 0.50 -0.56 0.47 0.00 -2.33 0.00 0.00 43.42 41.50 3mw6 n LEU 56 CO 0.33 2.04 0.88 1.55 -1.33 0.00 0.00 177.39 180.86 3mw6 h PRO 57 N 4.22 0.00 0.00 3.23 0.13 -1.74 -2.98 132.00 134.86 3mw6 h PRO 57 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 3mw6 h PRO 57 Cb 0.68 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.81 3mw6 h PRO 57 CO 0.80 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.57 3mw6 n GLN 58 N -2.34 0.77 -4.04 0.86 0.00 -1.26 -4.78 117.38 106.59 3mw6 n GLN 58 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 57.00 56.91 3mw6 n GLN 58 Cb 0.30 -1.26 -0.11 0.00 0.00 0.00 0.00 30.24 29.17 3mw6 n GLN 58 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.06 177.77 3mw6 s TYR 59 N -2.00 0.56 0.03 2.61 2.02 -1.13 -5.06 117.35 114.39 3mw6 s TYR 59 Ca 0.19 -0.53 -0.30 0.00 -0.37 0.00 0.00 57.07 56.06 3mw6 s TYR 59 Cb 0.09 -0.35 -0.06 0.00 -0.40 0.00 0.00 41.96 41.24 3mw6 s TYR 59 CO 0.15 -0.12 1.36 -0.51 -1.57 0.00 0.00 175.55 174.86 3mw6 s ASP 60 N -1.61 6.89 0.42 2.29 1.01 -1.26 -4.91 116.67 119.50 3mw6 s ASP 60 Ca -0.11 2.14 0.20 0.00 0.71 0.00 0.00 52.55 55.49 3mw6 s ASP 60 Cb -0.09 -2.57 1.15 0.00 1.01 0.00 0.00 42.92 42.42 3mw6 s ASP 60 CO -0.00 -0.66 1.81 0.00 0.21 0.00 0.00 175.17 176.53 3mw6 h ALA 61 N 7.42 2.32 -0.25 5.23 0.00 -1.95 -1.22 119.26 130.80 3mw6 h ALA 61 Ca -0.39 0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.39 3mw6 h ALA 61 Cb 1.19 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 3mw6 h ALA 61 CO 0.88 -0.67 -0.50 0.00 0.00 0.00 0.00 179.25 178.96 3mw6 h ALA 62 N 1.59 0.65 0.00 0.00 0.00 -2.00 -1.78 119.26 117.72 3mw6 h ALA 62 Ca 0.54 -0.49 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 3mw6 h ALA 62 Cb 1.45 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 3mw6 h ALA 62 CO -0.21 0.68 -0.47 -0.07 0.00 0.00 0.00 179.25 179.17 3mw6 h LEU 63 N 0.55 0.00 -0.28 0.00 3.38 -1.65 -2.38 115.31 114.92 3mw6 h LEU 63 Ca 0.02 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 3mw6 h LEU 63 Cb 1.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 3mw6 h LEU 63 CO 0.10 0.47 0.09 0.40 0.09 0.00 0.00 178.44 179.59 3mw6 h ILE 64 N 0.00 1.20 -0.81 1.22 2.04 -1.16 -1.62 117.51 118.37 3mw6 h ILE 64 Ca -0.00 -0.64 -0.00 0.00 1.00 0.00 0.00 64.86 65.22 3mw6 h ILE 64 Cb 1.25 1.09 -0.04 0.00 -0.74 0.00 0.00 36.82 38.38 3mw6 h ILE 64 CO 0.06 0.21 0.50 0.00 0.00 0.00 0.00 178.15 178.93 3mw6 h ALA 65 N 0.92 1.37 -0.31 1.87 0.00 -1.17 -0.21 119.26 121.72 3mw6 h ALA 65 Ca 0.09 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3mw6 h ALA 65 Cb 0.24 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3mw6 h ALA 65 CO -0.00 0.56 0.05 -0.09 0.00 0.00 0.00 179.25 179.77 3mw6 h ARG 66 N 1.11 0.51 -0.31 0.00 2.43 -1.25 0.43 114.38 117.30 3mw6 h ARG 66 Ca 0.29 -0.14 -0.01 0.00 -0.81 0.00 0.00 59.98 59.31 3mw6 h ARG 66 Cb -0.08 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.40 3mw6 h ARG 66 CO -0.06 0.61 0.15 0.28 -1.51 0.00 0.00 179.97 179.44 3mw6 h VAL 67 N 0.34 1.16 -0.74 0.20 2.07 -0.90 -0.16 116.25 118.22 3mw6 h VAL 67 Ca 0.09 -0.45 0.08 0.00 0.82 0.00 0.00 66.70 67.25 3mw6 h VAL 67 Cb 0.34 0.88 -0.07 0.00 -1.52 0.00 0.00 31.29 30.92 3mw6 h VAL 67 CO 0.01 0.16 0.40 0.25 0.02 0.00 0.00 177.57 178.41 3mw6 h LEU 68 N 0.37 0.58 -0.52 2.57 5.85 -0.94 -0.66 115.31 122.56 3mw6 h LEU 68 Ca 0.11 0.04 -0.15 0.00 0.84 0.00 0.00 57.88 58.72 3mw6 h LEU 68 Cb 0.12 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 3mw6 h LEU 68 CO -0.01 0.35 -0.46 0.00 -0.34 0.00 0.00 178.44 177.97 3mw6 h ALA 69 N 1.41 0.70 -0.82 1.25 0.00 -0.42 -1.47 119.26 119.90 3mw6 h ALA 69 Ca 0.35 -0.48 0.08 0.00 0.00 0.00 0.00 54.91 54.86 3mw6 h ALA 69 Cb 0.29 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.91 3mw6 h ALA 69 CO -0.23 0.67 0.49 -0.91 0.00 0.00 0.00 179.25 179.27 3mw6 h ASN 70 N 0.54 0.72 -0.29 0.00 2.35 -0.70 -2.70 115.58 115.50 3mw6 h ASN 70 Ca 0.03 0.04 -0.06 0.00 -0.55 0.00 0.00 56.30 55.76 3mw6 h ASN 70 Cb 1.01 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 39.26 3mw6 h ASN 70 CO 0.10 0.44 -0.05 -0.74 -1.65 0.00 0.00 177.43 175.52 3mw6 h HIS 71 N 0.85 0.61 0.00 1.19 2.76 -0.50 -2.87 115.15 117.19 3mw6 h HIS 71 Ca 0.38 -0.12 0.00 0.00 -2.20 0.00 0.00 60.37 58.43 3mw6 h HIS 71 Cb 0.28 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 29.09 3mw6 h HIS 71 CO -0.05 0.73 0.00 0.00 -1.30 0.00 0.00 177.93 177.31 3mw6 n ARG 73 N -1.43 0.54 -1.96 0.00 1.74 -1.03 -4.58 116.66 109.94 3mw6 n ARG 73 Ca 0.06 0.08 -0.41 0.00 -0.77 0.00 0.00 57.85 56.81 3mw6 n ARG 73 Cb 0.19 -1.76 -0.01 0.00 -1.02 0.00 0.00 32.46 29.86 3mw6 n ARG 73 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3mw6 s ARG 74 N -3.33 4.24 0.29 5.56 0.52 -1.03 -4.87 118.95 120.32 3mw6 s ARG 74 Ca 0.00 2.38 0.04 0.00 -0.52 0.00 0.00 55.73 57.63 3mw6 s ARG 74 Cb 0.11 -3.04 0.72 0.00 0.52 0.00 0.00 34.95 33.26 3mw6 s ARG 74 CO 0.79 -0.38 1.70 -1.35 0.02 0.00 0.00 175.30 176.08 3mw6 h PRO 75 N 3.67 0.42 -0.63 3.54 0.11 -1.91 -1.10 132.00 136.10 3mw6 h PRO 75 Ca -0.49 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.60 3mw6 h PRO 75 Cb 1.23 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 3mw6 h PRO 75 CO 0.68 0.27 0.42 -0.09 -0.21 0.00 0.00 178.00 179.08 3mw6 h ARG 76 N 0.43 0.82 -0.07 1.05 2.43 -1.93 0.30 114.38 117.41 3mw6 h ARG 76 Ca 0.55 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.65 3mw6 h ARG 76 Cb 1.03 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 30.39 3mw6 h ARG 76 CO -0.51 0.54 -0.06 -0.92 -1.51 0.00 0.00 179.97 177.52 3mw6 h TYR 77 N 0.85 0.19 -1.00 2.20 3.20 -1.48 -2.07 116.97 118.86 3mw6 h TYR 77 Ca 0.23 -0.05 0.08 0.00 3.14 0.00 0.00 58.73 62.13 3mw6 h TYR 77 Cb -0.09 -0.04 -0.07 0.00 1.54 0.00 0.00 36.73 38.07 3mw6 h TYR 77 CO -0.00 0.59 0.64 -0.07 -1.64 0.00 0.00 178.16 177.68 3mw6 h LEU 78 N -0.26 1.00 -1.33 2.82 3.38 -0.93 0.36 115.31 120.34 3mw6 h LEU 78 Ca 0.01 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 3mw6 h LEU 78 Cb 0.55 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 3mw6 h LEU 78 CO 0.02 0.61 0.02 0.50 0.09 0.00 0.00 178.44 179.68 3mw6 h LYS 79 N 1.12 0.46 -0.40 1.13 3.64 -0.37 0.93 116.57 123.08 3mw6 h LYS 79 Ca 0.45 -0.09 -0.14 0.00 -1.27 0.00 0.00 60.65 59.60 3mw6 h LYS 79 Cb 0.25 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 3mw6 h LYS 79 CO -0.20 0.48 -0.31 0.00 -2.27 0.00 0.00 179.45 177.15 3mw6 h ALA 80 N 1.58 0.70 -0.28 5.00 0.00 -0.28 -1.19 119.26 124.79 3mw6 h ALA 80 Ca 0.10 -0.42 -0.10 0.00 0.00 0.00 0.00 54.91 54.49 3mw6 h ALA 80 Cb 0.27 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3mw6 h ALA 80 CO 0.01 0.67 -0.26 -0.07 0.00 0.00 0.00 179.25 179.59 3mw6 h LEU 81 N 0.74 0.56 -1.32 0.00 3.38 -0.11 -1.93 115.31 116.63 3mw6 h LEU 81 Ca 0.08 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 3mw6 h LEU 81 Cb 0.88 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 3mw6 h LEU 81 CO 0.08 0.81 -0.25 0.00 0.09 0.00 0.00 178.44 179.17 3mw6 h ALA 82 N 1.23 1.44 -0.42 1.53 0.00 -0.49 -2.39 119.26 120.16 3mw6 h ALA 82 Ca 0.07 -0.27 -0.13 0.00 0.00 0.00 0.00 54.91 54.58 3mw6 h ALA 82 Cb 0.71 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3mw6 h ALA 82 CO 0.05 0.40 -0.25 -0.09 0.00 0.00 0.00 179.25 179.37 3mw6 h ARG 83 N 0.13 0.88 0.00 0.00 2.43 -0.59 -3.46 114.38 113.77 3mw6 h ARG 83 Ca 0.02 -0.38 0.00 0.00 -0.81 0.00 0.00 59.98 58.81 3mw6 h ARG 83 Cb 0.51 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 3mw6 h ARG 83 CO 0.04 1.03 0.00 0.41 -1.51 0.00 0.00 179.97 179.93 3mw6 n GLY 84 N -0.12 -0.99 7.00 2.80 0.00 -0.78 -5.07 105.19 108.02 3mw6 n GLY 84 Ca -0.00 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.67 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 -0.83 3.80 -0.02 0.00 -1.26 -4.88 105.19 102.01 3mw6 n GLY 85 Ca 0.00 -1.19 -0.33 0.00 0.00 0.00 0.00 46.02 44.51 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 3.38 0.24 1.61 -0.14 -1.26 -0.87 119.74 122.69 3mw6 s LYS 86 Ca 0.00 1.21 0.02 0.00 -1.36 0.00 0.00 55.97 55.84 3mw6 s LYS 86 Cb 0.00 -2.04 -0.04 0.00 -1.68 0.00 0.00 37.83 34.07 3mw6 s LYS 86 CO 0.00 -0.76 0.40 1.03 -0.76 0.00 0.00 175.35 175.26 3mw6 s ARG 87 N -4.00 3.48 -0.01 1.68 0.52 -0.74 -4.50 118.95 115.38 3mw6 s ARG 87 Ca 0.64 -0.49 0.06 0.00 -0.52 0.00 0.00 55.73 55.41 3mw6 s ARG 87 Cb -0.16 -2.83 -0.01 0.00 0.52 0.00 0.00 34.95 32.47 3mw6 s ARG 87 CO 0.35 0.37 -0.18 -0.06 0.02 0.00 0.00 175.30 175.80 3mw6 s PHE 88 N -1.99 1.61 0.62 -0.53 0.08 0.13 0.04 117.98 117.94 3mw6 s PHE 88 Ca 0.37 -0.31 -0.04 0.00 0.12 0.00 0.00 56.93 57.07 3mw6 s PHE 88 Cb -0.10 -1.03 0.13 0.00 -0.57 0.00 0.00 43.02 41.45 3mw6 s PHE 88 CO 0.30 -0.02 0.84 -0.40 -0.10 0.00 0.00 175.22 175.85 3mw6 n ASP 89 N 2.58 0.74 0.30 1.36 3.85 -0.51 -1.35 116.55 123.53 3mw6 n ASP 89 Ca -0.15 -1.72 0.19 0.00 -0.71 0.00 0.00 54.79 52.40 3mw6 n ASP 89 Cb 0.54 -0.58 1.00 0.00 -1.35 0.00 0.00 41.12 40.72 3mw6 n ASP 89 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.20 176.12 3mw6 h LEU 90 N 0.00 0.00 -3.23 -2.12 3.38 -1.97 -1.42 115.31 109.95 3mw6 h LEU 90 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 3mw6 h LEU 90 Cb 0.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.68 3mw6 h LEU 90 CO 0.26 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.38 3mw6 n ASN 91 N -3.24 5.12 -3.03 -0.43 3.02 -1.26 -4.84 115.26 110.60 3mw6 n ASN 91 Ca -0.02 -2.73 -0.22 0.00 -0.03 0.00 0.00 54.58 51.58 3mw6 n ASN 91 Cb 0.22 -0.64 0.02 0.00 -0.61 0.00 0.00 39.78 38.78 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 0.71 -5.61 -4.58 6.41 2.85 -0.53 -4.99 115.26 109.52 3mw6 n ASN 92 Ca 0.25 -0.28 -0.30 0.00 -0.11 0.00 0.00 54.58 54.15 3mw6 n ASN 92 Cb 1.04 -4.56 -0.10 0.00 1.24 0.00 0.00 39.78 37.41 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 -5.70 2.22 0.15 1.20 0.52 -1.26 -4.89 118.95 111.19 3mw6 s ARG 93 Ca 0.29 -0.97 -0.34 0.00 -0.52 0.00 0.00 55.73 54.20 3mw6 s ARG 93 Cb -0.14 -2.35 -0.16 0.00 0.52 0.00 0.00 34.95 32.83 3mw6 s ARG 93 CO 0.36 0.52 1.24 1.19 0.02 0.00 0.00 175.30 178.64 3mw6 n PHE 94 N 0.84 1.45 -3.22 -0.53 3.72 -1.26 -1.43 117.46 117.03 3mw6 n PHE 94 Ca -0.14 0.64 -0.02 0.00 -0.05 0.00 0.00 57.45 57.88 3mw6 n PHE 94 Cb 0.52 -2.31 -0.02 0.00 -0.94 0.00 0.00 39.48 36.73 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 -0.10 0.65 1.04 -1.08 2.20 0.11 -4.77 119.74 117.79 3mw6 s LYS 95 Ca 0.76 -0.02 0.00 0.00 -0.36 0.00 0.00 55.97 56.35 3mw6 s LYS 95 Cb -0.86 -0.02 0.00 0.00 -1.51 0.00 0.00 37.83 35.44 3mw6 s LYS 95 CO 0.50 -1.12 0.00 0.41 -0.36 0.00 0.00 175.35 174.78 3mw6 n GLY 96 N 4.86 -1.90 3.61 5.54 0.00 -1.26 -4.31 105.19 111.73 3mw6 n GLY 96 Ca 0.07 -1.52 -0.10 0.00 0.00 0.00 0.00 46.02 44.47 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 1.76 -0.19 1.61 1.03 -1.26 -1.79 118.70 119.85 3mw6 s GLU 97 Ca 0.00 -1.41 -0.23 0.00 0.03 0.00 0.00 54.97 53.36 3mw6 s GLU 97 Cb 0.00 0.49 -0.02 0.00 -0.80 0.00 0.00 34.13 33.81 3mw6 s GLU 97 CO 0.00 -0.75 0.75 0.08 -1.33 0.00 0.00 175.26 174.01 3mw6 s VAL 98 N -3.50 4.93 0.70 1.83 1.01 -0.05 -4.68 120.40 120.64 3mw6 s VAL 98 Ca 0.23 1.44 -0.11 0.00 0.00 0.00 0.00 61.98 63.54 3mw6 s VAL 98 Cb -0.01 -4.06 0.02 0.00 0.00 0.00 0.00 36.38 32.32 3mw6 s VAL 98 CO 0.12 0.04 1.07 0.42 0.00 0.00 0.00 175.10 176.75 3mw6 s THR 99 N 2.19 3.81 0.31 3.92 -4.23 -1.26 -4.57 115.64 115.81 3mw6 s THR 99 Ca 0.34 0.62 0.04 0.00 -1.18 0.00 0.00 61.69 61.51 3mw6 s THR 99 Cb -0.16 -3.27 0.30 0.00 1.34 0.00 0.00 72.50 70.71 3mw6 s THR 99 CO 0.11 -0.74 1.86 -0.65 -0.54 0.00 0.00 174.62 174.66 3mw6 h PRO 100 N -0.68 0.86 -0.25 3.99 0.11 -1.99 -0.81 132.00 133.24 3mw6 h PRO 100 Ca -0.44 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.58 3mw6 h PRO 100 Cb 1.22 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 3mw6 h PRO 100 CO 0.55 0.57 0.00 1.49 -0.21 0.00 0.00 178.00 180.41 3mw6 h GLU 101 N 0.89 0.45 -0.87 1.05 4.81 -2.00 -0.60 114.58 118.30 3mw6 h GLU 101 Ca 0.46 -0.14 -0.02 0.00 -0.13 0.00 0.00 59.36 59.53 3mw6 h GLU 101 Cb 0.52 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.82 3mw6 h GLU 101 CO -0.22 0.61 0.49 0.93 -0.73 0.00 0.00 179.01 180.09 3mw6 h GLU 102 N 0.23 1.22 -0.40 1.92 5.08 -1.84 -2.36 114.58 118.43 3mw6 h GLU 102 Ca 0.07 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 3mw6 h GLU 102 Cb 0.41 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 3mw6 h GLU 102 CO 0.01 0.89 0.11 0.37 -1.00 0.00 0.00 179.01 179.38 3mw6 h GLN 103 N 1.22 0.63 -0.61 2.33 4.15 -0.87 -2.14 115.11 119.82 3mw6 h GLN 103 Ca 0.31 -0.14 -0.05 0.00 0.77 0.00 0.00 58.65 59.53 3mw6 h GLN 103 Cb 0.02 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.60 3mw6 h GLN 103 CO -0.05 0.64 0.18 0.00 -1.93 0.00 0.00 178.83 177.67 3mw6 h ALA 104 N 0.96 1.16 -0.46 3.38 0.00 -0.94 -0.58 119.26 122.79 3mw6 h ALA 104 Ca 0.13 -0.20 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 3mw6 h ALA 104 Cb 0.29 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3mw6 h ALA 104 CO -0.00 0.58 -0.26 0.82 0.00 0.00 0.00 179.25 180.39 3mw6 h ILE 105 N 0.90 1.27 -0.43 0.00 2.04 -1.24 -2.32 117.51 117.73 3mw6 h ILE 105 Ca 0.20 -1.43 -0.15 0.00 1.00 0.00 0.00 64.86 64.48 3mw6 h ILE 105 Cb 0.28 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.53 3mw6 h ILE 105 CO -0.01 0.49 -0.31 0.00 0.00 0.00 0.00 178.15 178.32 3mw6 h ALA 106 N 0.86 0.62 -0.49 1.87 0.00 -1.11 -2.56 119.26 118.45 3mw6 h ALA 106 Ca 0.10 -0.43 0.04 0.00 0.00 0.00 0.00 54.91 54.62 3mw6 h ALA 106 Cb 0.84 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 3mw6 h ALA 106 CO 0.07 0.68 0.33 1.96 0.00 0.00 0.00 179.25 182.29 3mw6 h GLN 107 N 0.82 0.50 -0.02 0.00 4.20 -0.92 -1.75 115.11 117.94 3mw6 h GLN 107 Ca 0.08 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.76 3mw6 h GLN 107 Cb 0.90 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.57 3mw6 h GLN 107 CO 0.08 0.33 -0.06 0.09 -0.67 0.00 0.00 178.83 178.60 3mw6 n ASN 108 N -4.47 2.35 -4.71 1.46 3.02 -0.89 -4.58 115.26 107.43 3mw6 n ASN 108 Ca 0.06 -1.74 -0.42 0.00 -0.03 0.00 0.00 54.58 52.45 3mw6 n ASN 108 Cb 0.17 0.06 -0.03 0.00 -0.61 0.00 0.00 39.78 39.37 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 -2.08 3.14 0.30 3.10 2.46 -0.66 -4.88 115.29 116.67 3mw6 s HIS 109 Ca 0.30 0.85 0.05 0.00 0.47 0.00 0.00 55.06 56.73 3mw6 s HIS 109 Cb 0.20 -3.74 0.80 0.00 -0.13 0.00 0.00 32.58 29.71 3mw6 s HIS 109 CO 0.35 -2.64 1.65 -1.35 -2.47 0.00 0.00 174.74 170.28 3mw6 h PRO 110 N 6.97 0.25 0.00 2.88 0.11 -1.91 -0.18 132.00 140.11 3mw6 h PRO 110 Ca -0.42 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.62 3mw6 h PRO 110 Cb 1.21 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3mw6 h PRO 110 CO 0.88 0.16 -0.28 0.74 -0.21 0.00 0.00 178.00 179.30 3mw6 h PHE 111 N 0.25 0.00 0.08 0.65 -1.00 -1.93 -1.69 116.94 113.31 3mw6 h PHE 111 Ca 0.60 0.00 -0.24 0.00 2.81 0.00 0.00 57.97 61.13 3mw6 h PHE 111 Cb 1.24 0.00 0.02 0.00 3.61 0.00 0.00 35.95 40.82 3mw6 h PHE 111 CO -0.20 0.28 -1.00 0.28 -1.61 0.00 0.00 178.31 176.06 3mw6 h VAL 112 N 0.00 1.35 -0.66 -0.55 2.07 -1.34 -0.90 116.25 116.22 3mw6 h VAL 112 Ca -0.00 -2.35 0.11 0.00 0.82 0.00 0.00 66.70 65.28 3mw6 h VAL 112 Cb 0.52 2.71 -0.08 0.00 -1.52 0.00 0.00 31.29 32.93 3mw6 h VAL 112 CO 0.04 0.70 0.26 1.56 0.02 0.00 0.00 177.57 180.15 3mw6 h GLN 113 N 0.10 0.43 0.77 1.57 1.08 -0.84 0.32 115.11 118.54 3mw6 h GLN 113 Ca -0.15 -0.03 -0.04 0.00 -1.45 0.00 0.00 58.65 56.99 3mw6 h GLN 113 Cb 1.70 -0.10 0.01 0.00 -0.05 0.00 0.00 27.48 29.04 3mw6 h GLN 113 CO 0.19 0.28 -0.37 0.37 -0.95 0.00 0.00 178.83 178.36 3mw6 h GLN 114 N 0.44 -0.99 -0.96 1.46 4.15 -1.37 -3.04 115.11 114.80 3mw6 h GLN 114 Ca 0.34 0.07 0.13 0.00 0.77 0.00 0.00 58.65 59.96 3mw6 h GLN 114 Cb 0.44 0.23 -0.08 0.00 0.21 0.00 0.00 27.48 28.28 3mw6 h GLN 114 CO -0.33 -0.66 0.61 0.00 -1.93 0.00 0.00 178.83 176.52 3mw6 h ALA 115 N -1.49 1.65 -0.29 3.38 0.00 -0.52 -0.42 119.26 121.56 3mw6 h ALA 115 Ca -0.11 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 3mw6 h ALA 115 Cb 0.79 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3mw6 h ALA 115 CO 0.17 0.10 -0.29 -0.07 0.00 0.00 0.00 179.25 179.16 3mw6 h LEU 116 N 0.87 0.61 -0.61 0.00 4.07 -0.50 -0.95 115.31 118.80 3mw6 h LEU 116 Ca 0.48 -0.23 -0.12 0.00 0.08 0.00 0.00 57.88 58.09 3mw6 h LEU 116 Cb 0.60 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 42.15 3mw6 h LEU 116 CO -0.25 0.88 -0.24 1.56 -1.08 0.00 0.00 178.44 179.31 3mw6 h GLN 117 N 0.52 0.85 0.11 1.13 4.20 -1.01 -2.83 115.11 118.07 3mw6 h GLN 117 Ca 0.06 -0.36 -0.01 0.00 0.06 0.00 0.00 58.65 58.41 3mw6 h GLN 117 Cb 0.77 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.52 3mw6 h GLN 117 CO 0.06 0.99 -0.05 1.96 -0.67 0.00 0.00 178.83 181.12 3mw6 h GLN 118 N 0.73 -0.14 -1.00 1.46 4.20 -1.05 -2.70 115.11 116.61 3mw6 h GLN 118 Ca 0.10 0.01 0.21 0.00 0.06 0.00 0.00 58.65 59.02 3mw6 h GLN 118 Cb 0.77 0.03 -0.10 0.00 0.30 0.00 0.00 27.48 28.48 3mw6 h GLN 118 CO 0.06 0.19 0.62 0.37 -0.67 0.00 0.00 178.83 179.40 3mw6 h GLN 119 N -0.48 0.64 0.00 1.46 4.15 -1.18 -0.60 115.11 119.09 3mw6 h GLN 119 Ca -0.01 -0.04 -0.05 0.00 0.77 0.00 0.00 58.65 59.31 3mw6 h GLN 119 Cb 0.39 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.93 3mw6 h GLN 119 CO 0.02 0.42 -0.44 0.66 -1.93 0.00 0.00 178.83 177.57 3mw6 h SER 120 N 0.66 0.00 1.47 -0.69 4.64 -1.53 -3.14 113.55 114.95 3mw6 h SER 120 Ca 0.58 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.90 3mw6 h SER 120 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 3mw6 h SER 120 CO -0.37 0.23 -0.19 0.00 -0.87 0.00 0.00 176.83 175.63 3mw6 h ALA 121 N 1.77 0.89 0.00 5.18 0.00 -0.80 -2.62 119.26 123.67 3mw6 h ALA 121 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3mw6 h ALA 121 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3mw6 h ALA 121 CO 0.03 0.00 -0.62 1.96 0.00 0.00 0.00 179.25 180.62 3mw6 h GLN 122 N 0.00 0.00 0.13 0.00 4.20 -1.31 -3.28 115.11 114.86 3mw6 h GLN 122 Ca 0.00 0.00 -0.28 0.00 0.06 0.00 0.00 58.65 58.43 3mw6 h GLN 122 Cb 0.83 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.62 3mw6 h GLN 122 CO 0.00 0.00 -1.24 0.00 -0.67 0.00 0.00 178.83 176.92 3mw6 h ALA 123 N 2.01 0.07 0.00 3.87 0.00 -1.49 -3.52 119.26 120.21 3mw6 h ALA 123 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 54.91 54.07 3mw6 h ALA 123 Cb 1.00 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3mw6 h ALA 123 CO 0.00 0.86 0.00 0.00 0.00 0.00 0.00 179.25 180.11