#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mw6 n ALA 0 N 0.00 0.00 -2.84 5.20 0.00 -1.26 -5.24 120.51 116.37 3mw6 n ALA 0 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 3mw6 n ALA 0 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 3mw6 n ALA 0 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3mw6 s THR 2 N 0.00 0.44 0.35 0.00 -4.23 -1.26 -5.13 115.64 105.80 3mw6 s THR 2 Ca 0.00 -0.73 0.15 0.00 -1.18 0.00 0.00 61.69 59.93 3mw6 s THR 2 Cb 0.00 -0.47 0.36 0.00 1.34 0.00 0.00 72.50 73.74 3mw6 s THR 2 CO 0.00 -0.21 1.59 1.56 -0.54 0.00 0.00 174.62 177.02 3mw6 h GLN 3 N 5.09 0.04 -0.28 3.99 4.20 -2.05 -1.07 115.11 125.02 3mw6 h GLN 3 Ca -0.32 -0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.34 3mw6 h GLN 3 Cb 1.20 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.96 3mw6 h GLN 3 CO 0.44 0.02 0.02 1.49 -0.67 0.00 0.00 178.83 180.13 3mw6 h GLU 4 N 0.04 0.49 -0.15 1.46 4.81 -2.01 -1.10 114.58 118.11 3mw6 h GLU 4 Ca 0.77 -0.15 -0.00 0.00 -0.13 0.00 0.00 59.36 59.85 3mw6 h GLU 4 Cb 1.92 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 31.25 3mw6 h GLU 4 CO -0.79 0.63 0.09 1.15 -0.73 0.00 0.00 179.01 179.36 3mw6 h THR 5 N 0.29 1.08 -0.98 0.32 2.02 -1.71 -1.95 112.91 111.97 3mw6 h THR 5 Ca 0.08 -0.19 0.04 0.00 0.77 0.00 0.00 66.41 67.11 3mw6 h THR 5 Cb 0.40 0.93 -0.06 0.00 -1.74 0.00 0.00 68.15 67.68 3mw6 h THR 5 CO 0.01 0.07 0.64 0.00 0.37 0.00 0.00 175.52 176.61 3mw6 h ALA 6 N 1.01 1.32 -0.73 6.16 0.00 -1.20 -0.77 119.26 125.05 3mw6 h ALA 6 Ca 0.05 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3mw6 h ALA 6 Cb 0.03 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 3mw6 h ALA 6 CO -0.01 0.51 0.40 1.25 0.00 0.00 0.00 179.25 181.40 3mw6 h LEU 7 N 1.22 0.92 -0.77 0.00 5.85 -0.96 0.02 115.31 121.59 3mw6 h LEU 7 Ca 0.40 -0.10 0.07 0.00 0.84 0.00 0.00 57.88 59.09 3mw6 h LEU 7 Cb 0.04 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 40.77 3mw6 h LEU 7 CO -0.14 0.75 0.45 1.23 -0.34 0.00 0.00 178.44 180.40 3mw6 h GLY 8 N 1.01 1.15 1.15 3.75 0.00 -0.40 0.22 103.07 109.95 3mw6 h GLY 8 Ca 0.26 -0.31 -0.14 0.00 0.00 0.00 0.00 47.33 47.14 3mw6 h GLY 8 CO -0.04 0.19 -0.25 0.00 0.00 0.00 0.00 176.54 176.43 3mw6 h ALA 9 N 1.39 0.69 -0.04 3.60 0.00 -0.51 0.98 119.26 125.38 3mw6 h ALA 9 Ca 0.35 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3mw6 h ALA 9 Cb 0.22 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3mw6 h ALA 9 CO -0.19 0.67 0.02 0.00 0.00 0.00 0.00 179.25 179.75 3mw6 h ALA 10 N 0.88 0.04 -0.51 0.00 0.00 -0.37 -0.64 119.26 118.66 3mw6 h ALA 10 Ca 0.10 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.99 3mw6 h ALA 10 Cb 0.83 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 3mw6 h ALA 10 CO 0.07 -0.43 0.31 -0.07 0.00 0.00 0.00 179.25 179.14 3mw6 h LEU 11 N -0.01 0.52 0.33 0.00 3.38 -0.44 -1.37 115.31 117.73 3mw6 h LEU 11 Ca 0.01 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3mw6 h LEU 11 Cb 0.05 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 3mw6 h LEU 11 CO -0.00 0.37 -0.50 0.50 0.09 0.00 0.00 178.44 178.90 3mw6 h LYS 12 N 0.63 -0.84 0.00 1.13 3.64 -0.55 -0.05 116.57 120.54 3mw6 h LYS 12 Ca 0.20 0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.63 3mw6 h LYS 12 Cb -0.01 0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 32.00 3mw6 h LYS 12 CO -0.07 -0.56 -0.02 0.66 -2.27 0.00 0.00 179.45 177.19 3mw6 h SER 13 N -0.87 0.00 -0.22 4.20 4.64 -1.01 -0.40 113.55 119.89 3mw6 h SER 13 Ca -0.04 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.15 3mw6 h SER 13 Cb 0.80 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.89 3mw6 h SER 13 CO -0.15 0.02 -0.37 0.00 -0.87 0.00 0.00 176.83 175.46 3mw6 h ALA 14 N 1.98 0.34 -0.21 5.18 0.00 -0.33 -3.28 119.26 122.94 3mw6 h ALA 14 Ca -0.00 -0.44 -0.13 0.00 0.00 0.00 0.00 54.91 54.34 3mw6 h ALA 14 Cb 0.09 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3mw6 h ALA 14 CO 0.00 0.42 -0.41 -0.39 0.00 0.00 0.00 179.25 178.86 3mw6 h VAL 15 N 0.33 1.30 0.00 0.00 -1.51 0.61 -3.05 116.25 113.93 3mw6 h VAL 15 Ca 0.02 -1.58 0.00 0.00 -1.23 0.00 0.00 66.70 63.91 3mw6 h VAL 15 Cb 0.96 1.59 0.00 0.00 -2.13 0.00 0.00 31.29 31.71 3mw6 h VAL 15 CO 0.08 0.49 0.00 0.00 -1.23 0.00 0.00 177.57 176.92 3mw6 n GLN 16 N -4.02 0.06 -0.19 5.19 6.02 -0.69 -4.77 117.38 118.97 3mw6 n GLN 16 Ca -0.02 0.28 -0.02 0.00 -0.01 0.00 0.00 57.00 57.24 3mw6 n GLN 16 Cb 0.52 -1.50 0.01 0.00 1.02 0.00 0.00 30.24 30.29 3mw6 n GLN 16 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3mw6 n THR 17 N -1.38 1.36 -3.05 5.09 -2.24 -1.16 -5.08 114.28 107.82 3mw6 n THR 17 Ca 0.03 -0.26 -0.39 0.00 -2.27 0.00 0.00 64.05 61.16 3mw6 n THR 17 Cb 0.08 -1.06 -0.05 0.00 -2.10 0.00 0.00 70.33 67.19 3mw6 n THR 17 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3mw6 s SER 19 N 1.00 7.17 0.46 3.42 0.15 -1.26 -5.17 113.70 119.46 3mw6 s SER 19 Ca 0.05 1.39 0.16 0.00 0.70 0.00 0.00 55.95 58.25 3mw6 s SER 19 Cb 0.04 -2.44 1.12 0.00 -1.71 0.00 0.00 66.02 63.02 3mw6 s SER 19 CO 0.01 0.08 1.99 0.11 1.20 0.00 0.00 173.24 176.62 3mw6 h LYS 20 N 5.42 0.30 0.31 5.44 1.57 -1.98 0.11 116.57 127.74 3mw6 h LYS 20 Ca -0.45 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.30 3mw6 h LYS 20 Cb 1.20 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.45 3mw6 h LYS 20 CO 0.69 0.20 -0.16 -0.22 -0.57 0.00 0.00 179.45 179.39 3mw6 h LYS 21 N 0.31 -0.42 -0.54 3.15 3.64 -2.02 -0.87 116.57 119.81 3mw6 h LYS 21 Ca 0.26 0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.74 3mw6 h LYS 21 Cb 0.62 0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 32.47 3mw6 h LYS 21 CO -0.06 -0.28 0.22 -0.22 -2.27 0.00 0.00 179.45 176.84 3mw6 h LYS 22 N -0.44 0.40 -0.30 1.90 1.63 -1.51 -1.77 116.57 116.48 3mw6 h LYS 22 Ca -0.04 -0.02 0.05 0.00 -0.85 0.00 0.00 60.65 59.78 3mw6 h LYS 22 Cb 0.34 -0.09 -0.04 0.00 -0.60 0.00 0.00 32.23 31.84 3mw6 h LYS 22 CO 0.06 0.27 0.04 1.96 -3.45 0.00 0.00 179.45 178.32 3mw6 h GLN 23 N 0.42 0.14 0.12 1.90 4.20 -0.79 -3.03 115.11 118.06 3mw6 h GLN 23 Ca 0.26 -0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.97 3mw6 h GLN 23 Cb 0.26 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 27.99 3mw6 h GLN 23 CO -0.24 0.09 -0.20 1.15 -0.67 0.00 0.00 178.83 178.96 3mw6 h THR 24 N 0.14 0.55 0.00 -0.54 2.02 -0.36 -0.19 112.91 114.53 3mw6 h THR 24 Ca 0.14 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.32 3mw6 h THR 24 Cb 0.16 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 3mw6 h THR 24 CO -0.20 0.00 0.00 -1.84 0.37 0.00 0.00 175.52 173.85 3mw6 n GLU 25 N -5.33 0.07 0.00 6.66 0.28 -0.74 -1.91 120.64 119.67 3mw6 n GLU 25 Ca -0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.93 3mw6 n GLU 25 Cb 0.24 -1.46 0.00 0.00 1.43 0.00 0.00 31.44 31.65 3mw6 n GLU 25 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 3mw6 n ILE 27 N 1.35 0.00 -0.07 3.84 5.41 -0.08 -1.97 119.36 127.83 3mw6 n ILE 27 Ca 0.00 0.00 -0.10 0.00 1.00 0.00 0.00 62.75 63.65 3mw6 n ILE 27 Cb 0.04 0.00 -0.03 0.00 -0.71 0.00 0.00 39.64 38.94 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 0.33 -0.59 -1.39 0.00 -1.64 -0.76 119.26 115.20 3mw6 h ALA 28 Ca 0.00 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 3mw6 h ALA 28 Cb 0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3mw6 h ALA 28 CO 0.00 -0.13 0.18 0.22 0.00 0.00 0.00 179.25 179.52 3mw6 h ASP 29 N 0.29 0.83 -0.05 0.00 3.58 -1.67 -0.37 116.42 119.03 3mw6 h ASP 29 Ca 0.09 -0.14 -0.00 0.00 0.42 0.00 0.00 57.03 57.40 3mw6 h ASP 29 Cb 0.09 -0.22 -0.00 0.00 1.72 0.00 0.00 39.33 40.92 3mw6 h ASP 29 CO -0.01 0.78 0.01 -0.74 -2.88 0.00 0.00 179.24 176.40 3mw6 h HIS 30 N 0.87 0.08 -0.21 0.28 2.76 -1.79 -1.45 115.15 115.69 3mw6 h HIS 30 Ca 0.20 -0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.31 3mw6 h HIS 30 Cb 0.26 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 29.19 3mw6 h HIS 30 CO 0.02 0.28 -0.06 0.82 -1.30 0.00 0.00 177.93 177.69 3mw6 h ILE 31 N -0.13 1.29 -0.28 6.26 2.04 -0.90 -1.34 117.51 124.44 3mw6 h ILE 31 Ca 0.02 -1.06 -0.05 0.00 1.00 0.00 0.00 64.86 64.77 3mw6 h ILE 31 Cb 0.24 1.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.85 3mw6 h ILE 31 CO 0.00 0.32 -0.03 1.88 0.00 0.00 0.00 178.15 180.32 3mw6 h TYR 32 N 0.14 0.46 0.00 1.37 -1.99 -1.13 -1.46 116.97 114.36 3mw6 h TYR 32 Ca 0.05 -0.05 -0.07 0.00 2.00 0.00 0.00 58.73 60.67 3mw6 h TYR 32 Cb 0.51 -0.13 -0.01 0.00 2.00 0.00 0.00 36.73 39.10 3mw6 h TYR 32 CO 0.05 0.48 -0.33 0.78 -0.00 0.00 0.00 178.16 179.15 3mw6 h GLY 33 N 0.80 0.00 0.00 3.88 0.00 -1.02 -3.36 103.07 103.36 3mw6 h GLY 33 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 3mw6 h GLY 33 CO 0.01 0.00 -1.62 1.17 0.00 0.00 0.00 176.54 176.10 3mw6 n LYS 34 N -3.29 0.45 -4.03 4.80 4.81 -0.53 -4.95 118.16 115.42 3mw6 n LYS 34 Ca 0.01 -0.13 -0.31 0.00 -0.87 0.00 0.00 58.31 57.01 3mw6 n LYS 34 Cb 0.58 -1.33 -0.15 0.00 0.02 0.00 0.00 35.03 34.15 3mw6 n LYS 34 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 3mw6 s TYR 35 N -2.96 2.87 0.44 5.64 1.51 -0.58 -5.00 117.35 119.27 3mw6 s TYR 35 Ca -0.05 -2.00 0.13 0.00 -1.01 0.00 0.00 57.07 54.14 3mw6 s TYR 35 Cb 0.09 -1.80 1.02 0.00 -0.11 0.00 0.00 41.96 41.16 3mw6 s TYR 35 CO 0.58 -0.82 2.01 -0.44 -1.11 0.00 0.00 175.55 175.76 3mw6 h ASP 36 N 7.87 0.35 0.19 2.29 3.45 -1.87 -1.84 116.42 126.86 3mw6 h ASP 36 Ca -0.23 0.00 -0.03 0.00 0.43 0.00 0.00 57.03 57.20 3mw6 h ASP 36 Cb 1.07 -0.07 -0.00 0.00 -0.56 0.00 0.00 39.33 39.76 3mw6 h ASP 36 CO 0.47 0.23 -0.15 -0.37 -1.57 0.00 0.00 179.24 177.85 3mw6 h VAL 37 N 0.40 1.00 0.12 -1.35 -1.51 -1.90 0.76 116.25 113.77 3mw6 h VAL 37 Ca 0.23 -0.53 -0.16 0.00 -1.23 0.00 0.00 66.70 65.01 3mw6 h VAL 37 Cb 0.39 1.29 0.02 0.00 -2.13 0.00 0.00 31.29 30.86 3mw6 h VAL 37 CO -0.06 0.15 -0.71 -0.26 -1.23 0.00 0.00 177.57 175.46 3mw6 h PHE 38 N 0.00 0.46 -0.77 5.19 -1.00 -1.68 -2.31 116.94 116.83 3mw6 h PHE 38 Ca -0.00 -0.33 0.02 0.00 2.81 0.00 0.00 57.97 60.47 3mw6 h PHE 38 Cb 0.28 -0.02 -0.04 0.00 3.61 0.00 0.00 35.95 39.78 3mw6 h PHE 38 CO 0.00 1.27 0.51 -0.22 -1.61 0.00 0.00 178.31 178.26 3mw6 h LYS 39 N -0.47 0.95 -0.22 1.51 3.64 -1.12 -2.62 116.57 118.23 3mw6 h LYS 39 Ca -0.13 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 3mw6 h LYS 39 Cb 1.55 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 33.15 3mw6 h LYS 39 CO 0.13 0.63 0.00 0.54 -2.27 0.00 0.00 179.45 178.47 3mw6 n ARG 40 N -4.44 2.12 -3.69 1.90 1.74 0.23 -4.98 116.66 109.54 3mw6 n ARG 40 Ca 0.09 -1.67 -0.24 0.00 -0.77 0.00 0.00 57.85 55.26 3mw6 n ARG 40 Cb 0.09 -1.46 0.03 0.00 -1.02 0.00 0.00 32.46 30.10 3mw6 n ARG 40 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3mw6 n PHE 41 N 0.92 -1.92 -3.46 -1.55 3.01 -0.99 -4.99 117.46 108.48 3mw6 n PHE 41 Ca 0.17 0.71 -0.35 0.00 1.01 0.00 0.00 57.45 58.99 3mw6 n PHE 41 Cb 0.48 -3.98 -0.06 0.00 -0.01 0.00 0.00 39.48 35.92 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 -5.92 3.88 0.21 -1.08 1.02 -0.89 -4.72 119.74 112.23 3mw6 s LYS 42 Ca 0.19 0.34 -0.32 0.00 0.02 0.00 0.00 55.97 56.20 3mw6 s LYS 42 Cb -0.06 -2.96 -0.14 0.00 -0.52 0.00 0.00 37.83 34.15 3mw6 s LYS 42 CO 0.83 0.52 1.38 -2.30 -0.92 0.00 0.00 175.35 174.86 3mw6 n PRO 43 N 0.85 1.84 -3.76 -1.68 -0.02 -1.26 -4.86 135.00 126.11 3mw6 n PRO 43 Ca -0.07 0.66 -0.33 0.00 -2.02 0.00 0.00 63.50 61.74 3mw6 n PRO 43 Cb 0.52 -2.30 -0.05 0.00 -0.02 0.00 0.00 33.50 31.65 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 0.34 4.34 0.54 2.45 1.43 -1.26 -0.64 118.68 125.88 3mw6 s LEU 44 Ca 0.72 0.52 -0.21 0.00 -1.03 0.00 0.00 54.13 54.13 3mw6 s LEU 44 Cb -0.71 -2.89 -0.07 0.00 0.03 0.00 0.00 46.19 42.55 3mw6 s LEU 44 CO 0.48 0.19 1.01 0.00 0.23 0.00 0.00 176.35 178.25 3mw6 n ALA 45 N 0.71 0.31 -1.75 4.21 0.00 0.24 -4.57 120.51 119.64 3mw6 n ALA 45 Ca -0.08 0.09 -0.39 0.00 0.00 0.00 0.00 53.44 53.06 3mw6 n ALA 45 Cb 0.52 -2.12 0.03 0.00 0.00 0.00 0.00 19.45 17.89 3mw6 n ALA 45 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3mw6 s LEU 46 N -1.60 3.94 -1.17 0.00 1.43 -1.26 -2.75 118.68 117.26 3mw6 s LEU 46 Ca 0.71 2.84 0.00 0.00 -1.03 0.00 0.00 54.13 56.65 3mw6 s LEU 46 Cb -0.46 -4.16 0.00 0.00 0.03 0.00 0.00 46.19 41.61 3mw6 s LEU 46 CO 0.51 -1.46 0.00 0.61 0.23 0.00 0.00 176.35 176.24 3mw6 n GLY 47 N 0.68 0.76 0.00 -3.19 0.00 -1.26 -4.87 105.19 97.31 3mw6 n GLY 47 Ca 0.09 -0.44 0.10 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.16 0.48 -0.19 -0.61 3.06 -1.11 -2.09 119.36 115.73 3mw6 n ILE 48 Ca -0.13 0.12 -0.09 0.00 -2.50 0.00 0.00 62.75 60.15 3mw6 n ILE 48 Cb 0.47 -0.79 0.01 0.00 0.54 0.00 0.00 39.64 39.87 3mw6 n ILE 48 CO 0.00 0.00 0.00 -2.24 -2.50 0.00 0.00 176.55 171.81 3mw6 h ASP 49 N 0.00 0.90 -0.77 9.51 -0.00 -1.89 -1.46 116.42 122.71 3mw6 h ASP 49 Ca 0.00 -0.30 -0.06 0.00 -0.00 0.00 0.00 57.03 56.68 3mw6 h ASP 49 Cb 0.23 -0.24 -0.03 0.00 -0.00 0.00 0.00 39.33 39.29 3mw6 h ASP 49 CO 0.00 0.98 0.26 1.56 -0.00 0.00 0.00 179.24 182.04 3mw6 h GLN 50 N 0.80 1.18 -0.61 4.15 1.08 -1.82 0.59 115.11 120.48 3mw6 h GLN 50 Ca 0.15 -0.24 -0.03 0.00 -1.45 0.00 0.00 58.65 57.08 3mw6 h GLN 50 Cb 0.50 -0.18 -0.03 0.00 -0.05 0.00 0.00 27.48 27.72 3mw6 h GLN 50 CO 0.02 0.99 0.25 -0.44 -0.95 0.00 0.00 178.83 178.70 3mw6 h ASP 51 N 1.14 0.83 -0.25 1.46 3.32 -1.55 -1.34 116.42 120.02 3mw6 h ASP 51 Ca 0.25 -0.16 -0.06 0.00 0.02 0.00 0.00 57.03 57.08 3mw6 h ASP 51 Cb 0.28 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 3mw6 h ASP 51 CO -0.01 0.76 -0.09 0.25 -1.72 0.00 0.00 179.24 178.43 3mw6 h LEU 52 N 0.84 0.52 -0.83 1.55 5.85 -0.94 -0.93 115.31 121.36 3mw6 h LEU 52 Ca 0.20 -0.38 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 3mw6 h LEU 52 Cb 0.18 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 3mw6 h LEU 52 CO -0.02 0.78 0.51 0.40 -0.34 0.00 0.00 178.44 179.77 3mw6 h ILE 53 N 0.25 1.23 -0.24 4.05 2.04 -0.72 -1.61 117.51 122.51 3mw6 h ILE 53 Ca 0.06 -0.49 -0.15 0.00 1.00 0.00 0.00 64.86 65.28 3mw6 h ILE 53 Cb 0.57 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 3mw6 h ILE 53 CO 0.03 0.24 -0.46 0.00 0.00 0.00 0.00 178.15 177.96 3mw6 h ALA 54 N 1.28 0.74 0.00 1.87 0.00 -1.12 -3.10 119.26 118.93 3mw6 h ALA 54 Ca 0.30 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3mw6 h ALA 54 Cb -0.06 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3mw6 h ALA 54 CO -0.06 0.67 0.00 0.00 0.00 0.00 0.00 179.25 179.86 3mw6 h ALA 55 N 0.99 1.00 -2.11 0.00 0.00 -0.69 -3.37 119.26 115.08 3mw6 h ALA 55 Ca 0.03 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.36 3mw6 h ALA 55 Cb 0.99 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 18.38 3mw6 h ALA 55 CO 0.09 0.00 -0.89 1.28 0.00 0.00 0.00 179.25 179.73 3mw6 n LEU 56 N -3.01 1.61 0.28 0.00 4.77 -0.65 -4.96 117.00 115.04 3mw6 n LEU 56 Ca 0.02 -4.99 0.14 0.00 -0.03 0.00 0.00 56.01 51.15 3mw6 n LEU 56 Cb 0.38 0.10 0.80 0.00 -2.33 0.00 0.00 43.42 42.36 3mw6 n LEU 56 CO 0.29 2.05 1.02 -0.65 -1.33 0.00 0.00 177.39 178.78 3mw6 h PRO 57 N 4.15 0.00 0.00 3.23 0.11 -1.73 -2.89 132.00 134.87 3mw6 h PRO 57 Ca 0.13 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.22 3mw6 h PRO 57 Cb 0.79 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.90 3mw6 h PRO 57 CO 0.61 0.08 -0.10 -0.56 -0.21 0.00 0.00 178.00 177.82 3mw6 h GLN 58 N 0.00 0.00 -5.98 1.05 -0.00 -1.91 -3.46 115.11 104.82 3mw6 h GLN 58 Ca -0.00 0.00 -0.61 0.00 -0.00 0.00 0.00 58.65 58.04 3mw6 h GLN 58 Cb 0.24 0.00 -0.04 0.00 -0.00 0.00 0.00 27.48 27.67 3mw6 h GLN 58 CO 0.01 0.10 -0.39 0.71 -0.00 0.00 0.00 178.83 179.27 3mw6 s TYR 59 N -3.66 3.54 -0.12 0.06 4.12 -1.09 -4.47 117.35 115.73 3mw6 s TYR 59 Ca 0.01 0.50 -0.31 0.00 0.02 0.00 0.00 57.07 57.29 3mw6 s TYR 59 Cb 0.09 -1.95 -0.09 0.00 -1.52 0.00 0.00 41.96 38.50 3mw6 s TYR 59 CO 0.59 0.56 2.06 -3.47 0.02 0.00 0.00 175.55 175.31 3mw6 n ASP 60 N 0.65 3.48 -0.35 2.29 -0.08 -1.26 -4.86 116.55 116.41 3mw6 n ASP 60 Ca -0.07 0.63 0.16 0.00 -1.51 0.00 0.00 54.79 54.00 3mw6 n ASP 60 Cb 0.52 -1.47 0.36 0.00 2.34 0.00 0.00 41.12 42.87 3mw6 n ASP 60 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3mw6 h ALA 61 N 11.95 1.72 -0.72 -1.67 0.00 -1.95 0.11 119.26 128.71 3mw6 h ALA 61 Ca -0.44 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 3mw6 h ALA 61 Cb 1.26 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 3mw6 h ALA 61 CO 0.96 -0.20 0.29 0.00 0.00 0.00 0.00 179.25 180.30 3mw6 h ALA 62 N 1.70 1.15 -0.15 0.00 0.00 -2.00 -2.00 119.26 117.97 3mw6 h ALA 62 Ca 0.62 -0.18 -0.17 0.00 0.00 0.00 0.00 54.91 55.18 3mw6 h ALA 62 Cb 1.10 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 3mw6 h ALA 62 CO -0.45 0.61 -0.60 -0.07 0.00 0.00 0.00 179.25 178.75 3mw6 h LEU 63 N 1.04 0.56 -0.82 0.00 3.38 -1.22 -2.28 115.31 115.97 3mw6 h LEU 63 Ca 0.24 -0.32 0.03 0.00 0.09 0.00 0.00 57.88 57.92 3mw6 h LEU 63 Cb 0.20 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.74 3mw6 h LEU 63 CO -0.02 1.03 0.53 0.40 0.09 0.00 0.00 178.44 180.47 3mw6 h ILE 64 N 0.37 1.14 -0.31 1.22 2.04 -0.89 -0.99 117.51 120.10 3mw6 h ILE 64 Ca -0.00 -0.36 -0.09 0.00 1.00 0.00 0.00 64.86 65.41 3mw6 h ILE 64 Cb 1.14 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 3mw6 h ILE 64 CO 0.11 0.19 -0.20 0.00 0.00 0.00 0.00 178.15 178.24 3mw6 h ALA 65 N 1.33 1.07 -0.55 1.87 0.00 -1.21 -0.84 119.26 120.94 3mw6 h ALA 65 Ca 0.32 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 3mw6 h ALA 65 Cb -0.02 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3mw6 h ALA 65 CO -0.10 0.57 0.10 -0.09 0.00 0.00 0.00 179.25 179.72 3mw6 h ARG 66 N 0.52 0.90 -0.13 0.00 2.43 -0.85 0.20 114.38 117.45 3mw6 h ARG 66 Ca 0.08 -0.24 -0.02 0.00 -0.81 0.00 0.00 59.98 59.00 3mw6 h ARG 66 Cb 0.64 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 30.08 3mw6 h ARG 66 CO 0.05 0.87 0.01 0.28 -1.51 0.00 0.00 179.97 179.66 3mw6 h VAL 67 N 0.79 1.24 -0.47 0.20 2.07 -0.92 0.14 116.25 119.30 3mw6 h VAL 67 Ca 0.17 -0.76 0.09 0.00 0.82 0.00 0.00 66.70 67.02 3mw6 h VAL 67 Cb 0.40 1.50 -0.09 0.00 -1.52 0.00 0.00 31.29 31.58 3mw6 h VAL 67 CO 0.01 0.22 -0.09 0.25 0.02 0.00 0.00 177.57 177.98 3mw6 h LEU 68 N -0.03 -0.38 -1.21 2.57 5.85 -1.06 0.16 115.31 121.20 3mw6 h LEU 68 Ca 0.04 0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.85 3mw6 h LEU 68 Cb 0.33 0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.61 3mw6 h LEU 68 CO 0.00 -0.14 0.10 0.00 -0.34 0.00 0.00 178.44 178.07 3mw6 h ALA 69 N 1.46 1.37 -0.37 1.25 0.00 -0.38 -0.62 119.26 121.97 3mw6 h ALA 69 Ca 0.23 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 3mw6 h ALA 69 Cb 0.35 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3mw6 h ALA 69 CO -0.46 0.46 -0.20 -0.91 0.00 0.00 0.00 179.25 178.13 3mw6 h ASN 70 N 0.64 0.82 -0.02 0.00 2.35 -0.18 -2.94 115.58 116.24 3mw6 h ASN 70 Ca 0.15 -0.42 0.03 0.00 -0.55 0.00 0.00 56.30 55.51 3mw6 h ASN 70 Cb 0.24 -0.23 -0.04 0.00 0.05 0.00 0.00 38.32 38.34 3mw6 h ASN 70 CO -0.00 1.06 -0.21 -0.74 -1.65 0.00 0.00 177.43 175.88 3mw6 h HIS 71 N 0.58 -0.56 0.00 1.19 2.76 -0.15 -2.74 115.15 116.23 3mw6 h HIS 71 Ca 0.08 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.27 3mw6 h HIS 71 Cb 0.76 0.25 0.00 0.00 1.55 0.00 0.00 27.41 29.97 3mw6 h HIS 71 CO 0.06 -0.30 0.00 0.00 -1.30 0.00 0.00 177.93 176.39 3mw6 n ARG 73 N -1.30 1.83 -2.00 0.00 1.85 -1.05 -4.56 116.66 111.44 3mw6 n ARG 73 Ca 0.09 -1.78 -0.39 0.00 -1.00 0.00 0.00 57.85 54.77 3mw6 n ARG 73 Cb 0.16 -1.37 0.01 0.00 -1.05 0.00 0.00 32.46 30.20 3mw6 n ARG 73 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 3mw6 s ARG 74 N -1.41 3.74 0.29 2.89 0.52 -0.36 -4.86 118.95 119.78 3mw6 s ARG 74 Ca 0.25 2.15 0.01 0.00 -0.52 0.00 0.00 55.73 57.62 3mw6 s ARG 74 Cb 0.16 -2.59 0.52 0.00 0.52 0.00 0.00 34.95 33.56 3mw6 s ARG 74 CO 0.24 -0.68 1.89 -1.35 0.02 0.00 0.00 175.30 175.42 3mw6 h PRO 75 N 2.30 1.01 -0.45 3.54 0.11 -1.93 -1.14 132.00 135.43 3mw6 h PRO 75 Ca -0.50 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.54 3mw6 h PRO 75 Cb 1.26 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 3mw6 h PRO 75 CO 0.61 0.67 0.24 0.00 -0.21 0.00 0.00 178.00 179.31 3mw6 h ARG 76 N 1.04 0.62 -0.17 1.05 3.08 -1.93 -1.26 114.38 116.80 3mw6 h ARG 76 Ca 0.42 -0.06 -0.09 0.00 0.07 0.00 0.00 59.98 60.32 3mw6 h ARG 76 Cb 0.27 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.19 3mw6 h ARG 76 CO -0.18 0.46 -0.25 -0.92 -1.07 0.00 0.00 179.97 178.01 3mw6 h TYR 77 N 0.63 0.59 -0.94 3.04 3.20 -1.51 -0.92 116.97 121.07 3mw6 h TYR 77 Ca 0.16 -0.20 0.07 0.00 3.14 0.00 0.00 58.73 61.90 3mw6 h TYR 77 Cb 0.03 -0.12 -0.06 0.00 1.54 0.00 0.00 36.73 38.12 3mw6 h TYR 77 CO 0.00 0.89 0.61 -0.07 -1.64 0.00 0.00 178.16 177.95 3mw6 h LEU 78 N 0.12 0.94 -0.89 2.82 -0.00 -1.19 -0.93 115.31 116.18 3mw6 h LEU 78 Ca 0.02 0.01 -0.10 0.00 -0.00 0.00 0.00 57.88 57.81 3mw6 h LEU 78 Cb 0.83 -0.19 -0.01 0.00 -0.00 0.00 0.00 40.66 41.28 3mw6 h LEU 78 CO 0.06 0.60 -0.24 0.11 -0.00 0.00 0.00 178.44 178.97 3mw6 h LYS 79 N 1.07 0.54 -0.61 1.13 1.57 -1.03 -0.68 116.57 118.55 3mw6 h LYS 79 Ca 0.41 -0.20 -0.08 0.00 -1.87 0.00 0.00 60.65 58.90 3mw6 h LYS 79 Cb 0.20 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 3mw6 h LYS 79 CO -0.16 0.74 0.05 0.00 -0.57 0.00 0.00 179.45 179.51 3mw6 h ALA 80 N 1.27 0.93 -0.30 3.86 0.00 -0.26 -0.70 119.26 124.06 3mw6 h ALA 80 Ca 0.07 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.58 3mw6 h ALA 80 Cb 0.68 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3mw6 h ALA 80 CO 0.05 0.65 -0.26 -0.07 0.00 0.00 0.00 179.25 179.62 3mw6 h LEU 81 N 0.95 0.76 -1.06 0.00 3.38 -0.85 -2.37 115.31 116.12 3mw6 h LEU 81 Ca 0.18 -0.46 0.04 0.00 0.09 0.00 0.00 57.88 57.73 3mw6 h LEU 81 Cb 0.49 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.97 3mw6 h LEU 81 CO 0.02 1.05 0.63 0.00 0.09 0.00 0.00 178.44 180.24 3mw6 h ALA 82 N 0.72 1.38 -0.20 1.53 0.00 -0.93 -1.49 119.26 120.26 3mw6 h ALA 82 Ca 0.05 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 3mw6 h ALA 82 Cb 0.82 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3mw6 h ALA 82 CO 0.07 0.52 -0.05 -0.09 0.00 0.00 0.00 179.25 179.70 3mw6 h ARG 83 N 1.22 0.31 0.00 0.00 2.43 -0.90 -3.46 114.38 113.97 3mw6 h ARG 83 Ca 0.39 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.50 3mw6 h ARG 83 Cb 0.02 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 3mw6 h ARG 83 CO -0.12 0.38 0.00 0.41 -1.51 0.00 0.00 179.97 179.13 3mw6 n GLY 84 N -1.00 -1.43 4.64 2.80 0.00 -0.56 -5.06 105.19 104.58 3mw6 n GLY 84 Ca -0.00 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.72 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 -1.39 3.74 -0.02 0.00 -1.26 -4.88 105.19 101.37 3mw6 n GLY 85 Ca 0.00 -1.51 -0.35 0.00 0.00 0.00 0.00 46.02 44.16 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 2.49 0.25 1.61 -0.14 -1.26 -0.65 119.74 122.03 3mw6 s LYS 86 Ca 0.00 1.80 0.06 0.00 -1.36 0.00 0.00 55.97 56.46 3mw6 s LYS 86 Cb 0.00 -1.87 -0.03 0.00 -1.68 0.00 0.00 37.83 34.25 3mw6 s LYS 86 CO 0.00 -1.58 0.34 1.03 -0.76 0.00 0.00 175.35 174.38 3mw6 s ARG 87 N -3.68 3.32 -0.01 1.68 0.52 -0.72 -4.56 118.95 115.49 3mw6 s ARG 87 Ca 0.76 -0.84 0.04 0.00 -0.52 0.00 0.00 55.73 55.17 3mw6 s ARG 87 Cb -0.30 -2.82 -0.01 0.00 0.52 0.00 0.00 34.95 32.34 3mw6 s ARG 87 CO 0.41 0.40 -0.14 -0.06 0.02 0.00 0.00 175.30 175.92 3mw6 s PHE 88 N -2.03 1.24 0.77 -0.53 0.08 0.19 -0.45 117.98 117.25 3mw6 s PHE 88 Ca 0.35 -0.24 -0.03 0.00 0.12 0.00 0.00 56.93 57.13 3mw6 s PHE 88 Cb -0.09 -0.80 0.15 0.00 -0.57 0.00 0.00 43.02 41.71 3mw6 s PHE 88 CO 0.28 -0.03 1.06 0.16 -0.10 0.00 0.00 175.22 176.59 3mw6 s ASP 89 N -0.29 4.08 0.66 1.36 1.47 -0.22 -0.59 116.67 123.14 3mw6 s ASP 89 Ca 0.05 -0.34 0.43 0.00 1.18 0.00 0.00 52.55 53.86 3mw6 s ASP 89 Cb -0.06 0.06 2.36 0.00 -0.34 0.00 0.00 42.92 44.94 3mw6 s ASP 89 CO -0.00 -2.06 2.35 -0.07 0.68 0.00 0.00 175.17 176.07 3mw6 h LEU 90 N -0.73 0.00 -1.80 2.11 3.38 -1.97 0.22 115.31 116.51 3mw6 h LEU 90 Ca -0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.60 3mw6 h LEU 90 Cb 1.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.01 3mw6 h LEU 90 CO 0.38 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.50 3mw6 n ASN 91 N -3.16 2.66 -3.31 -0.43 5.03 -1.26 -4.80 115.26 109.99 3mw6 n ASN 91 Ca -0.03 -2.14 -0.20 0.00 0.87 0.00 0.00 54.58 53.09 3mw6 n ASN 91 Cb 0.08 -0.37 0.08 0.00 -1.02 0.00 0.00 39.78 38.55 3mw6 n ASN 91 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 3mw6 n ASN 92 N 0.66 -4.62 -4.29 6.41 2.85 0.76 -5.02 115.26 112.02 3mw6 n ASN 92 Ca 0.15 -0.52 -0.26 0.00 -0.11 0.00 0.00 54.58 53.83 3mw6 n ASN 92 Cb 0.47 -4.71 -0.14 0.00 1.24 0.00 0.00 39.78 36.65 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 -5.87 1.36 0.22 1.20 0.52 -1.25 -4.91 118.95 110.23 3mw6 s ARG 93 Ca 0.35 -1.08 -0.31 0.00 -0.52 0.00 0.00 55.73 54.16 3mw6 s ARG 93 Cb -0.15 -1.58 -0.14 0.00 0.52 0.00 0.00 34.95 33.59 3mw6 s ARG 93 CO 0.67 0.39 1.27 1.19 0.02 0.00 0.00 175.30 178.84 3mw6 n PHE 94 N 1.49 1.73 -3.28 -0.53 3.72 -1.26 -1.06 117.46 118.26 3mw6 n PHE 94 Ca -0.18 0.56 -0.08 0.00 -0.05 0.00 0.00 57.45 57.71 3mw6 n PHE 94 Cb 0.53 -2.36 -0.04 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 -0.54 0.68 1.27 -1.08 2.20 0.40 -4.76 119.74 117.92 3mw6 s LYS 95 Ca 0.69 -0.43 0.00 0.00 -0.36 0.00 0.00 55.97 55.87 3mw6 s LYS 95 Cb -0.74 -0.30 0.00 0.00 -1.51 0.00 0.00 37.83 35.29 3mw6 s LYS 95 CO 0.52 -1.17 0.00 0.41 -0.36 0.00 0.00 175.35 174.75 3mw6 n GLY 96 N 4.51 -1.86 3.64 5.54 0.00 -1.26 -4.42 105.19 111.34 3mw6 n GLY 96 Ca 0.09 -1.44 -0.09 0.00 0.00 0.00 0.00 46.02 44.59 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 1.54 -0.29 1.61 1.03 -1.26 -1.76 118.70 119.57 3mw6 s GLU 97 Ca 0.00 -0.98 -0.27 0.00 0.03 0.00 0.00 54.97 53.75 3mw6 s GLU 97 Cb 0.00 0.54 0.01 0.00 -0.80 0.00 0.00 34.13 33.88 3mw6 s GLU 97 CO 0.00 -0.67 0.97 0.08 -1.33 0.00 0.00 175.26 174.31 3mw6 s VAL 98 N -3.92 4.65 0.88 1.83 1.01 0.17 -4.68 120.40 120.35 3mw6 s VAL 98 Ca 0.13 1.65 -0.12 0.00 0.00 0.00 0.00 61.98 63.64 3mw6 s VAL 98 Cb -0.02 -4.30 0.12 0.00 0.00 0.00 0.00 36.38 32.18 3mw6 s VAL 98 CO 0.03 -0.31 1.10 0.42 0.00 0.00 0.00 175.10 176.34 3mw6 s THR 99 N 3.30 2.54 0.28 3.92 -4.23 -1.26 -4.48 115.64 115.72 3mw6 s THR 99 Ca 0.41 0.18 -0.02 0.00 -1.18 0.00 0.00 61.69 61.07 3mw6 s THR 99 Cb -0.14 -2.81 0.21 0.00 1.34 0.00 0.00 72.50 71.11 3mw6 s THR 99 CO 0.12 -0.23 1.90 -0.65 -0.54 0.00 0.00 174.62 175.21 3mw6 h PRO 100 N -1.45 1.01 -0.32 3.99 0.11 -1.99 -1.22 132.00 132.13 3mw6 h PRO 100 Ca -0.50 -0.12 -0.05 0.00 0.11 0.00 0.00 66.00 65.44 3mw6 h PRO 100 Cb 1.30 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 3mw6 h PRO 100 CO 0.58 0.76 0.01 1.49 -0.21 0.00 0.00 178.00 180.63 3mw6 h GLU 101 N 1.01 0.56 -0.30 1.05 4.57 -1.99 -0.62 114.58 118.86 3mw6 h GLU 101 Ca 0.25 -0.17 0.03 0.00 -1.18 0.00 0.00 59.36 58.29 3mw6 h GLU 101 Cb 0.06 -0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.57 3mw6 h GLU 101 CO -0.04 0.68 0.12 0.93 -1.18 0.00 0.00 179.01 179.52 3mw6 h GLU 102 N 0.36 0.25 -0.98 1.92 5.08 -1.85 -1.91 114.58 117.45 3mw6 h GLU 102 Ca 0.09 -0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.47 3mw6 h GLU 102 Cb 0.42 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.56 3mw6 h GLU 102 CO 0.01 0.17 0.64 0.37 -1.00 0.00 0.00 179.01 179.21 3mw6 h GLN 103 N 0.26 1.22 -0.33 2.33 4.15 -1.01 -1.89 115.11 119.84 3mw6 h GLN 103 Ca 0.13 -0.07 -0.17 0.00 0.77 0.00 0.00 58.65 59.30 3mw6 h GLN 103 Cb 0.08 -0.27 -0.00 0.00 0.21 0.00 0.00 27.48 27.49 3mw6 h GLN 103 CO -0.12 0.80 -0.47 0.00 -1.93 0.00 0.00 178.83 177.12 3mw6 h ALA 104 N 1.40 0.54 -0.76 3.38 0.00 -0.85 -0.36 119.26 122.61 3mw6 h ALA 104 Ca 0.39 -0.49 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 3mw6 h ALA 104 Cb -0.01 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3mw6 h ALA 104 CO -0.12 0.68 0.28 0.82 0.00 0.00 0.00 179.25 180.91 3mw6 h ILE 105 N 0.70 1.26 -0.36 0.00 2.04 -1.01 -2.42 117.51 117.72 3mw6 h ILE 105 Ca 0.04 -0.85 -0.14 0.00 1.00 0.00 0.00 64.86 64.91 3mw6 h ILE 105 Cb 1.07 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.52 3mw6 h ILE 105 CO 0.11 0.34 -0.33 0.00 0.00 0.00 0.00 178.15 178.27 3mw6 h ALA 106 N 1.14 0.74 0.00 1.87 0.00 -1.17 -2.72 119.26 119.13 3mw6 h ALA 106 Ca 0.25 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3mw6 h ALA 106 Cb 0.25 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3mw6 h ALA 106 CO -0.02 0.66 -0.04 1.96 0.00 0.00 0.00 179.25 181.81 3mw6 h GLN 107 N 0.67 0.00 -0.03 0.00 4.20 -0.71 -1.61 115.11 117.63 3mw6 h GLN 107 Ca 0.07 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.78 3mw6 h GLN 107 Cb 0.88 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.66 3mw6 h GLN 107 CO 0.08 0.04 0.00 0.09 -0.67 0.00 0.00 178.83 178.37 3mw6 n ASN 108 N -3.58 0.77 -4.75 1.46 3.02 -0.94 -4.11 115.26 107.13 3mw6 n ASN 108 Ca -0.02 -1.34 -0.40 0.00 -0.03 0.00 0.00 54.58 52.78 3mw6 n ASN 108 Cb 0.14 -0.02 -0.05 0.00 -0.61 0.00 0.00 39.78 39.24 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 -1.97 3.79 0.22 3.10 2.46 -0.61 -4.93 115.29 117.36 3mw6 s HIS 109 Ca 0.39 1.81 -0.09 0.00 0.47 0.00 0.00 55.06 57.64 3mw6 s HIS 109 Cb 0.20 -3.13 0.19 0.00 -0.13 0.00 0.00 32.58 29.71 3mw6 s HIS 109 CO 0.32 -0.03 1.89 -1.35 -2.47 0.00 0.00 174.74 173.10 3mw6 h PRO 110 N 3.99 1.06 -0.92 2.88 0.11 -1.89 -2.03 132.00 135.20 3mw6 h PRO 110 Ca -0.46 -0.06 0.26 0.00 0.11 0.00 0.00 66.00 65.85 3mw6 h PRO 110 Cb 1.21 -0.24 -0.14 0.00 0.11 0.00 0.00 31.00 31.94 3mw6 h PRO 110 CO 0.67 0.70 0.35 0.74 -0.21 0.00 0.00 178.00 180.25 3mw6 h PHE 111 N 1.09 0.55 0.19 0.65 0.04 -1.95 -2.98 116.94 114.53 3mw6 h PHE 111 Ca 0.30 0.05 -0.26 0.00 2.80 0.00 0.00 57.97 60.86 3mw6 h PHE 111 Cb -0.10 -0.10 0.03 0.00 2.20 0.00 0.00 35.95 37.98 3mw6 h PHE 111 CO -0.02 -0.18 -1.17 0.28 -0.60 0.00 0.00 178.31 176.63 3mw6 h VAL 112 N 0.27 1.37 0.32 -0.55 2.07 -1.68 -3.31 116.25 114.74 3mw6 h VAL 112 Ca 0.60 -2.60 -0.01 0.00 0.82 0.00 0.00 66.70 65.52 3mw6 h VAL 112 Cb 1.26 3.10 -0.02 0.00 -1.52 0.00 0.00 31.29 34.11 3mw6 h VAL 112 CO -0.63 0.76 -0.34 1.56 0.02 0.00 0.00 177.57 178.94 3mw6 h GLN 113 N -0.13 -0.64 -0.90 1.57 4.20 -1.30 -0.99 115.11 116.91 3mw6 h GLN 113 Ca -0.21 0.04 0.18 0.00 0.06 0.00 0.00 58.65 58.72 3mw6 h GLN 113 Cb 1.89 0.15 -0.17 0.00 0.30 0.00 0.00 27.48 29.65 3mw6 h GLN 113 CO 0.20 -0.43 -0.24 -0.56 -0.67 0.00 0.00 178.83 177.13 3mw6 h GLN 114 N -0.67 -0.01 0.06 1.46 3.07 -1.74 -2.92 115.11 114.38 3mw6 h GLN 114 Ca -0.04 0.00 -0.26 0.00 0.09 0.00 0.00 58.65 58.44 3mw6 h GLN 114 Cb 0.58 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.13 3mw6 h GLN 114 CO -0.05 -0.00 -1.32 0.00 0.09 0.00 0.00 178.83 177.54 3mw6 h ALA 115 N 1.84 0.33 0.00 0.06 0.00 -1.54 -3.41 119.26 116.54 3mw6 h ALA 115 Ca 0.42 -1.05 0.00 0.00 0.00 0.00 0.00 54.91 54.28 3mw6 h ALA 115 Cb 0.65 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3mw6 h ALA 115 CO -0.93 1.21 -0.96 1.28 0.00 0.00 0.00 179.25 179.85 3mw6 n LEU 116 N -3.38 0.00 -0.37 0.00 4.32 -0.41 -5.11 117.00 112.05 3mw6 n LEU 116 Ca -0.09 0.00 0.14 0.00 -0.02 0.00 0.00 56.01 56.04 3mw6 n LEU 116 Cb 1.01 0.00 0.63 0.00 -1.62 0.00 0.00 43.42 43.43 3mw6 n LEU 116 CO 0.49 0.00 0.93 0.00 -1.22 0.00 0.00 177.39 177.59