#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2mgl s VAL 1 N 0.00 -0.24 0.44 3.17 1.01 -1.26 -5.07 120.40 118.46 2mgl s VAL 1 Ca 0.00 0.37 -0.14 0.00 0.00 0.00 0.00 61.98 62.20 2mgl s VAL 1 Cb 0.00 -0.27 -0.08 0.00 0.00 0.00 0.00 36.38 36.03 2mgl s VAL 1 CO 0.00 0.15 0.87 -0.76 0.00 0.00 0.00 175.10 175.36 2mgl s LEU 2 N 2.27 3.79 0.86 3.92 1.02 -1.26 -5.08 118.68 124.21 2mgl s LEU 2 Ca 0.03 1.38 -0.09 0.00 0.02 0.00 0.00 54.13 55.46 2mgl s LEU 2 Cb -0.12 -4.26 0.17 0.00 0.02 0.00 0.00 46.19 42.00 2mgl s LEU 2 CO -0.05 -0.44 1.19 -0.94 0.02 0.00 0.00 176.35 176.13 2mgl s SER 3 N -2.90 3.60 0.14 2.29 1.04 -1.26 -4.90 113.70 111.71 2mgl s SER 3 Ca 0.56 -0.03 -0.12 0.00 0.48 0.00 0.00 55.95 56.84 2mgl s SER 3 Cb -0.10 -0.14 -0.01 0.00 0.10 0.00 0.00 66.02 65.87 2mgl s SER 3 CO 0.28 -2.39 1.54 -0.08 0.98 0.00 0.00 173.24 173.57 2mgl h GLU 4 N -1.18 0.89 -0.63 4.02 4.57 -1.99 -1.91 114.58 118.35 2mgl h GLU 4 Ca -0.41 -0.36 0.03 0.00 -1.18 0.00 0.00 59.36 57.44 2mgl h GLU 4 Cb 1.25 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 29.75 2mgl h GLU 4 CO 0.38 1.01 0.38 0.78 -1.18 0.00 0.00 179.01 180.38 2mgl h GLY 5 N 0.73 0.91 1.01 1.92 0.00 -1.99 0.37 103.07 106.01 2mgl h GLY 5 Ca 0.11 -0.28 0.01 0.00 0.00 0.00 0.00 47.33 47.16 2mgl h GLY 5 CO 0.05 0.23 0.39 0.83 0.00 0.00 0.00 176.54 178.04 2mgl h GLU 6 N 0.74 0.79 -0.82 4.80 5.08 -1.79 -2.15 114.58 121.23 2mgl h GLU 6 Ca 0.26 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.59 2mgl h GLU 6 Cb 0.05 -0.18 -0.05 0.00 0.50 0.00 0.00 28.75 29.08 2mgl h GLU 6 CO -0.12 0.52 0.53 -1.49 -1.00 0.00 0.00 179.01 177.46 2mgl h TRP 7 N 0.81 1.00 -0.47 4.33 -0.00 -1.03 -1.66 115.95 118.93 2mgl h TRP 7 Ca 0.22 0.03 0.02 0.00 -0.00 0.00 0.00 58.89 59.15 2mgl h TRP 7 Cb -0.09 -0.33 -0.03 0.00 -0.00 0.00 0.00 29.16 28.71 2mgl h TRP 7 CO -0.03 0.60 0.29 1.96 -0.00 0.00 0.00 178.44 181.25 2mgl h GLN 8 N 1.05 0.56 -0.95 0.49 1.08 -0.66 0.50 115.11 117.19 2mgl h GLN 8 Ca 0.32 -0.03 0.04 0.00 -1.45 0.00 0.00 58.65 57.53 2mgl h GLN 8 Cb -0.04 -0.13 -0.06 0.00 -0.05 0.00 0.00 27.48 27.21 2mgl h GLN 8 CO -0.10 0.37 0.62 -0.07 -0.95 0.00 0.00 178.83 178.70 2mgl h LEU 9 N 0.58 1.02 -0.37 1.46 3.38 -0.86 -0.67 115.31 119.84 2mgl h LEU 9 Ca 0.19 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.07 2mgl h LEU 9 Cb 0.00 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 2mgl h LEU 9 CO -0.08 0.69 -0.08 0.58 0.09 0.00 0.00 178.44 179.64 2mgl h VAL 10 N 1.18 1.27 0.00 1.22 2.07 -0.96 -2.86 116.25 118.17 2mgl h VAL 10 Ca 0.38 -1.14 0.00 0.00 0.82 0.00 0.00 66.70 66.76 2mgl h VAL 10 Cb 0.04 1.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 2mgl h VAL 10 CO -0.12 0.38 0.00 -0.07 0.02 0.00 0.00 177.57 177.78 2mgl h LEU 11 N 0.51 0.00 0.07 2.57 3.38 -0.86 -1.31 115.31 119.67 2mgl h LEU 11 Ca 0.10 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.83 2mgl h LEU 11 Cb 0.58 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.35 2mgl h LEU 11 CO 0.03 0.00 -0.97 -0.74 0.09 0.00 0.00 178.44 176.85 2mgl h HIS 12 N 0.00 0.85 0.00 1.13 2.76 -1.07 -1.05 115.15 117.78 2mgl h HIS 12 Ca 0.00 -0.51 -0.09 0.00 -2.20 0.00 0.00 60.37 57.57 2mgl h HIS 12 Cb 0.79 -0.08 -0.01 0.00 1.55 0.00 0.00 27.41 29.66 2mgl h HIS 12 CO 0.00 1.35 -0.45 -0.24 -1.30 0.00 0.00 177.93 177.30 2mgl h VAL 13 N 0.11 0.80 -0.13 5.26 3.04 -1.34 -2.91 116.25 121.08 2mgl h VAL 13 Ca -0.14 -2.02 -0.11 0.00 -1.01 0.00 0.00 66.70 63.43 2mgl h VAL 13 Cb 1.67 2.31 -0.01 0.00 -2.01 0.00 0.00 31.29 33.25 2mgl h VAL 13 CO 0.19 0.44 -0.38 -0.25 -1.01 0.00 0.00 177.57 176.55 2mgl h TRP 14 N 0.00 0.33 0.00 3.17 2.91 -1.05 0.06 115.95 121.37 2mgl h TRP 14 Ca -0.00 -0.09 -0.03 0.00 1.13 0.00 0.00 58.89 59.89 2mgl h TRP 14 Cb 1.27 -0.08 -0.00 0.00 -0.51 0.00 0.00 29.16 29.84 2mgl h TRP 14 CO 0.00 0.63 -0.16 0.00 -1.03 0.00 0.00 178.44 177.88 2mgl h ALA 15 N 1.36 1.38 -0.02 2.65 0.00 -0.98 -1.10 119.26 122.55 2mgl h ALA 15 Ca 0.03 -0.15 -0.22 0.00 0.00 0.00 0.00 54.91 54.57 2mgl h ALA 15 Cb 0.79 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.57 2mgl h ALA 15 CO 0.06 0.21 -0.83 0.87 0.00 0.00 0.00 179.25 179.56 2mgl h LYS 16 N 0.00 0.59 -0.52 0.00 1.79 -1.04 -3.17 116.57 114.23 2mgl h LYS 16 Ca -0.00 -0.61 0.06 0.00 -2.18 0.00 0.00 60.65 57.92 2mgl h LYS 16 Cb 0.38 0.17 -0.05 0.00 -1.58 0.00 0.00 32.23 31.14 2mgl h LYS 16 CO 0.02 1.23 0.21 0.28 -1.08 0.00 0.00 179.45 180.11 2mgl h VAL 17 N 0.20 0.86 0.00 0.50 2.07 -0.81 -2.12 116.25 116.96 2mgl h VAL 17 Ca -0.10 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.28 2mgl h VAL 17 Cb 1.50 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 2mgl h VAL 17 CO 0.16 0.07 0.00 -0.62 0.02 0.00 0.00 177.57 177.21 2mgl n GLU 18 N -4.96 0.03 0.26 1.57 1.02 -0.46 -1.36 120.64 116.74 2mgl n GLU 18 Ca 0.05 0.51 0.16 0.00 -0.02 0.00 0.00 57.16 57.87 2mgl n GLU 18 Cb 0.19 -1.59 0.57 0.00 -0.02 0.00 0.00 31.44 30.59 2mgl n GLU 18 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2mgl h ALA 19 N 2.03 1.00 -1.45 0.62 0.00 -1.41 -3.36 119.26 116.68 2mgl h ALA 19 Ca 0.00 -0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.52 2mgl h ALA 19 Cb 0.02 -0.00 -0.27 0.00 0.00 0.00 0.00 17.79 17.53 2mgl h ALA 19 CO 0.00 0.01 -0.77 -3.47 0.00 0.00 0.00 179.25 175.02 2mgl n ASP 20 N -3.10 -1.72 -0.20 0.00 2.03 -0.46 -5.01 116.55 108.09 2mgl n ASP 20 Ca 0.01 -2.77 -0.09 0.00 0.52 0.00 0.00 54.79 52.46 2mgl n ASP 20 Cb 0.36 0.57 0.02 0.00 -0.72 0.00 0.00 41.12 41.34 2mgl n ASP 20 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 2mgl h VAL 21 N 3.96 1.26 0.00 5.18 2.07 -1.71 -2.29 116.25 124.73 2mgl h VAL 21 Ca 0.09 -1.13 -0.13 0.00 0.82 0.00 0.00 66.70 66.35 2mgl h VAL 21 Cb 0.99 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 2mgl h VAL 21 CO 0.27 0.41 -0.62 0.00 0.02 0.00 0.00 177.57 177.64 2mgl h ALA 22 N 0.97 0.96 -0.10 1.67 0.00 -1.91 -0.62 119.26 120.22 2mgl h ALA 22 Ca 0.16 -0.57 -0.16 0.00 0.00 0.00 0.00 54.91 54.35 2mgl h ALA 22 Cb 0.55 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.25 2mgl h ALA 22 CO 0.03 0.78 -0.55 0.78 0.00 0.00 0.00 179.25 180.29 2mgl h GLY 23 N 1.91 0.60 0.90 0.00 0.00 -1.93 -1.49 103.07 103.06 2mgl h GLY 23 Ca -0.01 -0.86 -0.03 0.00 0.00 0.00 0.00 47.33 46.44 2mgl h GLY 23 CO 0.08 0.77 0.09 0.45 0.00 0.00 0.00 176.54 177.93 2mgl h HIS 24 N 0.15 0.50 -0.58 5.60 3.86 -1.29 -2.29 115.15 121.10 2mgl h HIS 24 Ca -0.04 -0.05 0.11 0.00 -1.16 0.00 0.00 60.37 59.23 2mgl h HIS 24 Cb 1.20 -0.14 -0.09 0.00 1.06 0.00 0.00 27.41 29.43 2mgl h HIS 24 CO 0.11 0.51 0.06 0.78 0.86 0.00 0.00 177.93 180.26 2mgl h GLY 25 N 0.34 0.67 0.71 2.45 0.00 -0.92 -1.28 103.07 105.04 2mgl h GLY 25 Ca 0.10 0.03 0.01 0.00 0.00 0.00 0.00 47.33 47.46 2mgl h GLY 25 CO -0.00 -0.14 -0.22 -1.61 0.00 0.00 0.00 176.54 174.56 2mgl h GLN 26 N 0.18 -0.45 -0.01 4.80 4.15 -1.16 -1.80 115.11 120.83 2mgl h GLN 26 Ca 0.30 0.03 0.03 0.00 0.77 0.00 0.00 58.65 59.78 2mgl h GLN 26 Cb 0.46 0.10 -0.05 0.00 0.21 0.00 0.00 27.48 28.20 2mgl h GLN 26 CO -0.44 -0.30 -0.27 -0.44 -1.93 0.00 0.00 178.83 175.45 2mgl h ASP 27 N -0.46 -0.82 -0.34 -0.69 5.19 -1.29 -1.08 116.42 116.93 2mgl h ASP 27 Ca 0.00 0.11 0.05 0.00 -0.62 0.00 0.00 57.03 56.58 2mgl h ASP 27 Cb 0.44 0.33 -0.05 0.00 0.18 0.00 0.00 39.33 40.24 2mgl h ASP 27 CO -0.07 -0.34 0.04 0.40 -3.12 0.00 0.00 179.24 176.15 2mgl h ILE 28 N -0.42 0.80 -0.31 0.35 2.04 -1.22 -0.79 117.51 117.97 2mgl h ILE 28 Ca 0.06 -0.05 -0.12 0.00 1.00 0.00 0.00 64.86 65.75 2mgl h ILE 28 Cb 0.50 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 2mgl h ILE 28 CO -0.24 0.03 -0.30 -0.07 0.00 0.00 0.00 178.15 177.56 2mgl h LEU 29 N 0.15 0.67 -0.30 1.44 3.38 -1.13 0.20 115.31 119.71 2mgl h LEU 29 Ca 0.16 -0.26 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 2mgl h LEU 29 Cb 0.20 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2mgl h LEU 29 CO -0.23 0.93 -0.01 0.40 0.09 0.00 0.00 178.44 179.62 2mgl h ILE 30 N 0.55 1.26 -0.82 1.22 2.04 -1.19 -0.28 117.51 120.29 2mgl h ILE 30 Ca 0.07 -0.96 0.05 0.00 1.00 0.00 0.00 64.86 65.01 2mgl h ILE 30 Cb 0.79 1.29 -0.05 0.00 -0.74 0.00 0.00 36.82 38.11 2mgl h ILE 30 CO 0.07 0.31 0.54 -0.09 0.00 0.00 0.00 178.15 178.97 2mgl h ARG 31 N 0.33 0.94 0.34 2.37 9.65 -0.81 0.12 114.38 127.33 2mgl h ARG 31 Ca 0.09 -0.06 -0.02 0.00 -1.10 0.00 0.00 59.98 58.89 2mgl h ARG 31 Cb 0.45 -0.21 0.00 0.00 -1.39 0.00 0.00 29.97 28.82 2mgl h ARG 31 CO 0.02 0.62 -0.16 1.25 2.80 0.00 0.00 179.97 184.50 2mgl h LEU 32 N 0.97 -0.39 -0.30 3.80 5.85 -0.49 0.41 115.31 125.16 2mgl h LEU 32 Ca 0.34 -0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.98 2mgl h LEU 32 Cb 0.11 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 2mgl h LEU 32 CO -0.11 -0.13 0.17 -0.26 -0.34 0.00 0.00 178.44 177.76 2mgl h PHE 33 N -0.64 0.31 -0.02 1.25 0.04 -0.85 0.10 116.94 117.13 2mgl h PHE 33 Ca -0.05 0.01 0.01 0.00 2.80 0.00 0.00 57.97 60.75 2mgl h PHE 33 Cb 0.46 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 38.50 2mgl h PHE 33 CO -0.01 0.18 -0.05 0.87 -0.60 0.00 0.00 178.31 178.70 2mgl h LYS 34 N 0.34 -0.08 -0.81 1.51 1.57 -0.47 -3.02 116.57 115.63 2mgl h LYS 34 Ca 0.12 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.88 2mgl h LYS 34 Cb 0.02 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.31 2mgl h LYS 34 CO -0.07 -0.05 0.42 0.77 -0.57 0.00 0.00 179.45 179.95 2mgl h SER 35 N -0.08 1.03 -2.79 0.86 0.02 -0.79 -3.39 113.55 108.41 2mgl h SER 35 Ca 0.03 -0.11 -0.60 0.00 -0.84 0.00 0.00 61.79 60.27 2mgl h SER 35 Cb 0.12 -0.26 -0.39 0.00 0.14 0.00 0.00 62.40 62.00 2mgl h SER 35 CO -0.07 0.85 -0.83 -1.00 -1.14 0.00 0.00 176.83 174.64 2mgl s HIS 36 N -5.79 1.71 0.49 3.45 3.76 0.34 -4.98 115.29 114.27 2mgl s HIS 36 Ca -0.13 -2.44 0.39 0.00 -0.15 0.00 0.00 55.06 52.74 2mgl s HIS 36 Cb 0.16 -1.48 2.02 0.00 1.11 0.00 0.00 32.58 34.39 2mgl s HIS 36 CO 0.82 -0.76 2.23 -1.35 -0.85 0.00 0.00 174.74 174.83 2mgl h PRO 37 N 6.04 0.00 0.00 8.40 0.11 -1.73 0.14 132.00 144.97 2mgl h PRO 37 Ca 0.15 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.22 2mgl h PRO 37 Cb 0.89 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.00 2mgl h PRO 37 CO 0.45 0.01 -0.18 1.05 -0.21 0.00 0.00 178.00 179.12 2mgl h GLU 38 N 0.00 0.00 0.00 1.05 9.09 -1.92 -0.72 114.58 122.08 2mgl h GLU 38 Ca -0.00 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.40 2mgl h GLU 38 Cb 0.17 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.27 2mgl h GLU 38 CO 0.00 0.18 -0.03 1.79 0.05 0.00 0.00 179.01 181.00 2mgl h THR 39 N 0.00 0.08 0.00 -1.06 1.35 -1.05 -0.89 112.91 111.34 2mgl h THR 39 Ca -0.00 -0.57 -0.02 0.00 -0.55 0.00 0.00 66.41 65.27 2mgl h THR 39 Cb 0.36 1.52 -0.00 0.00 -1.73 0.00 0.00 68.15 68.29 2mgl h THR 39 CO 0.02 0.03 -0.11 0.25 -0.25 0.00 0.00 175.52 175.46 2mgl h LEU 40 N 0.00 0.00 -1.93 3.87 5.85 -1.27 -1.41 115.31 120.42 2mgl h LEU 40 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2mgl h LEU 40 Cb 0.52 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.55 2mgl h LEU 40 CO 0.00 0.11 0.00 -0.33 -0.34 0.00 0.00 178.44 177.89 2mgl h GLU 41 N 0.00 0.00 0.00 1.25 5.08 -1.26 -1.68 114.58 117.97 2mgl h GLU 41 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2mgl h GLU 41 Cb 0.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 2mgl h GLU 41 CO 0.01 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.65 2mgl n LYS 42 N -3.02 0.22 -3.48 2.33 4.76 -0.53 -4.51 118.16 113.93 2mgl n LYS 42 Ca -0.01 0.08 -0.42 0.00 -2.87 0.00 0.00 58.31 55.09 2mgl n LYS 42 Cb 0.22 -1.50 -0.07 0.00 -1.84 0.00 0.00 35.03 31.83 2mgl n LYS 42 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2mgl s PHE 43 N -2.72 3.37 -0.93 2.13 0.40 -0.63 -4.89 117.98 114.71 2mgl s PHE 43 Ca 0.19 -1.67 0.11 0.00 -0.60 0.00 0.00 56.93 54.96 2mgl s PHE 43 Cb 0.16 -3.55 0.48 0.00 0.51 0.00 0.00 43.02 40.61 2mgl s PHE 43 CO 0.38 -0.99 1.35 -0.25 0.70 0.00 0.00 175.22 176.41 2mgl n ASP 44 N 5.02 0.07 0.06 1.36 8.00 -1.26 -0.96 116.55 128.84 2mgl n ASP 44 Ca -0.10 0.52 -0.20 0.00 0.71 0.00 0.00 54.79 55.73 2mgl n ASP 44 Cb 0.41 -0.54 -0.15 0.00 -0.02 0.00 0.00 41.12 40.82 2mgl n ASP 44 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 2mgl h ARG 45 N 0.00 0.32 0.00 -1.24 3.08 -1.93 -3.36 114.38 111.24 2mgl h ARG 45 Ca 0.00 -0.55 -0.09 0.00 0.07 0.00 0.00 59.98 59.41 2mgl h ARG 45 Cb 0.17 0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 2mgl h ARG 45 CO 0.00 1.21 -2.01 1.19 -1.07 0.00 0.00 179.97 179.29 2mgl n PHE 46 N -3.51 0.00 0.00 3.04 3.72 -0.40 -4.75 117.46 115.55 2mgl n PHE 46 Ca -0.21 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.19 2mgl n PHE 46 Cb 1.06 -0.58 0.00 0.00 -0.94 0.00 0.00 39.48 39.02 2mgl n PHE 46 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 2mgl n LYS 47 N -2.33 0.00 0.21 -1.08 4.81 -0.14 -1.89 118.16 117.75 2mgl n LYS 47 Ca -0.11 0.00 0.15 0.00 -0.87 0.00 0.00 58.31 57.48 2mgl n LYS 47 Cb 0.68 0.00 0.71 0.00 0.02 0.00 0.00 35.03 36.44 2mgl n LYS 47 CO 0.00 0.00 0.00 1.12 1.17 0.00 0.00 177.40 179.69 2mgl h HIS 48 N 0.00 0.00 -2.17 5.64 2.07 -1.86 -3.47 115.15 115.37 2mgl h HIS 48 Ca 0.00 0.00 -0.56 0.00 -2.85 0.00 0.00 60.37 56.96 2mgl h HIS 48 Cb 0.00 0.00 0.01 0.00 2.57 0.00 0.00 27.41 29.99 2mgl h HIS 48 CO 0.00 0.00 1.28 1.28 -3.07 0.00 0.00 177.93 177.42 2mgl n LEU 49 N -2.55 3.77 0.01 6.12 4.77 -0.79 -4.89 117.00 123.44 2mgl n LEU 49 Ca -0.00 0.73 0.01 0.00 -0.03 0.00 0.00 56.01 56.71 2mgl n LEU 49 Cb 0.14 -1.50 -0.10 0.00 -2.33 0.00 0.00 43.42 39.62 2mgl n LEU 49 CO 0.17 -0.08 -0.50 0.29 -1.33 0.00 0.00 177.39 175.94 2mgl n LYS 50 N 7.72 0.64 -4.38 3.23 5.02 -1.26 -5.01 118.16 124.12 2mgl n LYS 50 Ca 0.24 0.11 -0.20 0.00 -2.02 0.00 0.00 58.31 56.44 2mgl n LYS 50 Cb 0.39 -1.71 -0.09 0.00 -0.02 0.00 0.00 35.03 33.59 2mgl n LYS 50 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2mgl s THR 51 N -2.97 0.55 0.31 -0.18 -4.23 -1.26 -5.02 115.64 102.83 2mgl s THR 51 Ca -0.05 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 58.56 2mgl s THR 51 Cb 0.09 -2.55 0.03 0.00 1.34 0.00 0.00 72.50 71.41 2mgl s THR 51 CO 0.83 0.00 1.70 -0.08 -0.54 0.00 0.00 174.62 176.53 2mgl h GLU 52 N 2.16 0.10 -0.44 3.99 4.81 -1.99 -0.95 114.58 122.26 2mgl h GLU 52 Ca -0.36 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 58.78 2mgl h GLU 52 Cb 1.25 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.62 2mgl h GLU 52 CO 0.57 0.55 0.11 0.00 -0.73 0.00 0.00 179.01 179.52 2mgl h ALA 53 N 1.44 0.58 -0.69 2.92 0.00 -1.99 0.37 119.26 121.89 2mgl h ALA 53 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2mgl h ALA 53 Cb 0.87 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 2mgl h ALA 53 CO 0.07 0.25 0.45 0.93 0.00 0.00 0.00 179.25 180.95 2mgl h GLU 54 N 0.57 0.92 -0.69 0.00 5.08 -1.78 -2.59 114.58 116.09 2mgl h GLU 54 Ca 0.14 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.46 2mgl h GLU 54 Cb 0.31 -0.20 -0.04 0.00 0.50 0.00 0.00 28.75 29.32 2mgl h GLU 54 CO 0.00 0.62 0.45 0.52 -1.00 0.00 0.00 179.01 179.60 2mgl h MET 55 N 0.94 0.86 0.00 2.33 2.86 -0.55 -2.44 114.93 118.93 2mgl h MET 55 Ca 0.25 -0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.81 2mgl h MET 55 Cb -0.09 -0.19 -0.00 0.00 0.06 0.00 0.00 31.60 31.38 2mgl h MET 55 CO -0.05 0.57 -0.13 0.87 1.06 0.00 0.00 176.91 179.23 2mgl h LYS 56 N 0.89 0.00 -0.01 1.72 1.57 -0.74 -1.39 116.57 118.61 2mgl h LYS 56 Ca 0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 2mgl h LYS 56 Cb -0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.28 2mgl h LYS 56 CO -0.09 0.13 -0.23 0.00 -0.57 0.00 0.00 179.45 178.69 2mgl n ALA 57 N -2.39 3.03 -2.63 3.86 0.00 -0.99 -4.85 120.51 116.54 2mgl n ALA 57 Ca -0.02 -0.53 -0.43 0.00 0.00 0.00 0.00 53.44 52.46 2mgl n ALA 57 Cb 0.22 -0.99 -0.02 0.00 0.00 0.00 0.00 19.45 18.66 2mgl n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2mgl s SER 58 N -2.32 6.87 0.25 0.00 0.15 -0.53 -4.87 113.70 113.25 2mgl s SER 58 Ca 0.26 0.94 -0.05 0.00 0.70 0.00 0.00 55.95 57.79 2mgl s SER 58 Cb 0.19 -2.53 0.27 0.00 -1.71 0.00 0.00 66.02 62.25 2mgl s SER 58 CO 0.47 -0.89 1.83 -0.08 1.20 0.00 0.00 173.24 175.77 2mgl h GLU 59 N 8.21 1.10 -0.53 5.44 4.57 -1.88 -2.73 114.58 128.76 2mgl h GLU 59 Ca -0.21 -0.17 -0.01 0.00 -1.18 0.00 0.00 59.36 57.79 2mgl h GLU 59 Cb 1.06 -0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 29.44 2mgl h GLU 59 CO 1.03 0.87 0.31 -0.44 -1.18 0.00 0.00 179.01 179.60 2mgl h ASP 60 N 1.09 0.65 -0.72 1.04 5.19 -1.97 -1.56 116.42 120.14 2mgl h ASP 60 Ca 0.26 -0.07 0.01 0.00 -0.62 0.00 0.00 57.03 56.61 2mgl h ASP 60 Cb 0.15 -0.16 -0.04 0.00 0.18 0.00 0.00 39.33 39.46 2mgl h ASP 60 CO -0.03 0.53 0.47 0.25 -3.12 0.00 0.00 179.24 177.34 2mgl h LEU 61 N 0.71 0.80 -0.75 1.55 6.46 -1.86 -2.30 115.31 119.92 2mgl h LEU 61 Ca 0.19 -0.01 -0.09 0.00 -0.12 0.00 0.00 57.88 57.85 2mgl h LEU 61 Cb 0.01 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 39.73 2mgl h LEU 61 CO -0.03 0.57 0.01 0.50 -0.62 0.00 0.00 178.44 178.86 2mgl h LYS 62 N 0.94 0.96 -0.06 1.25 3.64 -1.39 -1.22 116.57 120.69 2mgl h LYS 62 Ca 0.27 -0.28 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2mgl h LYS 62 Cb -0.07 -0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 31.65 2mgl h LYS 62 CO -0.07 0.95 0.03 0.87 -2.27 0.00 0.00 179.45 178.95 2mgl h LYS 63 N 0.89 0.09 -0.88 1.90 1.79 -1.21 -2.37 116.57 116.78 2mgl h LYS 63 Ca 0.16 -0.02 0.14 0.00 -2.18 0.00 0.00 60.65 58.75 2mgl h LYS 63 Cb 0.51 -0.02 -0.09 0.00 -1.58 0.00 0.00 32.23 31.06 2mgl h LYS 63 CO 0.03 0.20 0.49 1.25 -1.08 0.00 0.00 179.45 180.34 2mgl h HIS 64 N -0.04 0.87 -0.91 -1.35 2.76 -1.17 -1.91 115.15 113.40 2mgl h HIS 64 Ca 0.02 0.03 0.08 0.00 -2.20 0.00 0.00 60.37 58.31 2mgl h HIS 64 Cb 0.14 -0.26 -0.07 0.00 1.55 0.00 0.00 27.41 28.77 2mgl h HIS 64 CO -0.03 0.26 0.56 0.78 -1.30 0.00 0.00 177.93 178.21 2mgl h GLY 65 N 0.73 1.42 1.09 5.26 0.00 -0.87 -1.13 103.07 109.56 2mgl h GLY 65 Ca 0.46 -0.39 -0.10 0.00 0.00 0.00 0.00 47.33 47.30 2mgl h GLY 65 CO -0.32 0.22 -0.02 -2.08 0.00 0.00 0.00 176.54 174.34 2mgl h VAL 66 N 0.97 1.27 -0.05 4.60 2.07 -1.02 -0.95 116.25 123.13 2mgl h VAL 66 Ca 0.42 -1.18 0.01 0.00 0.82 0.00 0.00 66.70 66.77 2mgl h VAL 66 Cb 0.29 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.87 2mgl h VAL 66 CO -0.21 0.43 -0.01 0.74 0.02 0.00 0.00 177.57 178.54 2mgl h THR 67 N 0.98 0.96 -0.05 2.57 2.02 -1.03 0.34 112.91 118.69 2mgl h THR 67 Ca 0.17 -0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.35 2mgl h THR 67 Cb 0.59 0.95 -0.00 0.00 -1.74 0.00 0.00 68.15 67.94 2mgl h THR 67 CO 0.03 0.00 0.02 0.58 0.37 0.00 0.00 175.52 176.53 2mgl h VAL 68 N 0.01 1.00 -0.46 3.16 2.07 -1.14 -2.23 116.25 118.66 2mgl h VAL 68 Ca 0.02 -0.02 -0.13 0.00 0.82 0.00 0.00 66.70 67.40 2mgl h VAL 68 Cb 0.03 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 2mgl h VAL 68 CO -0.05 0.01 -0.21 -0.07 0.02 0.00 0.00 177.57 177.27 2mgl h LEU 69 N 0.05 0.95 -0.28 2.57 3.38 -1.06 -0.80 115.31 120.11 2mgl h LEU 69 Ca 0.02 -0.35 0.03 0.00 0.09 0.00 0.00 57.88 57.67 2mgl h LEU 69 Cb 0.00 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 2mgl h LEU 69 CO -0.02 1.12 0.08 0.74 0.09 0.00 0.00 178.44 180.46 2mgl h THR 70 N 0.81 0.91 -0.67 0.22 2.02 -0.91 0.29 112.91 115.57 2mgl h THR 70 Ca 0.11 -0.07 -0.03 0.00 0.77 0.00 0.00 66.41 67.19 2mgl h THR 70 Cb 0.77 0.69 -0.03 0.00 -1.74 0.00 0.00 68.15 67.83 2mgl h THR 70 CO 0.06 0.04 0.31 0.00 0.37 0.00 0.00 175.52 176.30 2mgl h ALA 71 N 1.18 0.86 -0.39 6.16 0.00 -1.25 -2.02 119.26 123.81 2mgl h ALA 71 Ca 0.12 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 2mgl h ALA 71 Cb 0.10 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2mgl h ALA 71 CO -0.14 0.44 -0.07 1.25 0.00 0.00 0.00 179.25 180.73 2mgl h LEU 72 N 0.93 0.64 -0.85 0.00 5.85 -1.03 -2.37 115.31 118.47 2mgl h LEU 72 Ca 0.23 -0.16 -0.11 0.00 0.84 0.00 0.00 57.88 58.67 2mgl h LEU 72 Cb 0.14 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 2mgl h LEU 72 CO -0.03 0.76 -0.38 1.23 -0.34 0.00 0.00 178.44 179.68 2mgl h GLY 73 N 0.95 0.42 2.00 3.75 0.00 -0.87 -0.46 103.07 108.87 2mgl h GLY 73 Ca 0.11 -0.40 -0.05 0.00 0.00 0.00 0.00 47.33 47.00 2mgl h GLY 73 CO 0.03 0.36 -0.24 0.00 0.00 0.00 0.00 176.54 176.69 2mgl h ALA 74 N 1.27 1.11 0.12 3.60 0.00 -0.89 -1.65 119.26 122.82 2mgl h ALA 74 Ca 0.03 -0.22 -0.29 0.00 0.00 0.00 0.00 54.91 54.44 2mgl h ALA 74 Cb 0.82 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.60 2mgl h ALA 74 CO 0.07 0.30 -1.23 0.82 0.00 0.00 0.00 179.25 179.20 2mgl h ILE 75 N 0.00 1.33 -0.32 0.00 2.04 -0.65 -3.06 117.51 116.86 2mgl h ILE 75 Ca -0.00 -2.58 -0.16 0.00 1.00 0.00 0.00 64.86 63.12 2mgl h ILE 75 Cb 0.65 2.73 -0.01 0.00 -0.74 0.00 0.00 36.82 39.46 2mgl h ILE 75 CO 0.03 0.78 -0.44 -0.07 0.00 0.00 0.00 178.15 178.45 2mgl h LEU 76 N 0.23 0.87 -2.32 1.44 3.38 -1.01 -0.71 115.31 117.19 2mgl h LEU 76 Ca -0.17 -0.42 -0.00 0.00 0.09 0.00 0.00 57.88 57.37 2mgl h LEU 76 Cb 1.91 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 42.41 2mgl h LEU 76 CO 0.23 1.18 -0.02 0.11 0.09 0.00 0.00 178.44 180.03 2mgl h LYS 77 N 0.65 0.00 0.00 1.13 1.57 -1.25 -1.59 116.57 117.08 2mgl h LYS 77 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2mgl h LYS 77 Cb 1.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.32 2mgl h LYS 77 CO 0.10 0.02 0.00 0.87 -0.57 0.00 0.00 179.45 179.87 2mgl h LYS 78 N 0.00 0.00 -5.89 3.15 1.79 -1.02 -3.48 116.57 111.12 2mgl h LYS 78 Ca -0.00 0.00 -0.39 0.00 -2.18 0.00 0.00 60.65 58.08 2mgl h LYS 78 Cb 0.22 0.00 0.11 0.00 -1.58 0.00 0.00 32.23 30.97 2mgl h LYS 78 CO 0.00 0.00 -0.77 1.63 -1.08 0.00 0.00 179.45 179.23 2mgl n LYS 79 N -3.08 -6.29 0.00 3.15 5.02 -0.60 -1.71 118.16 114.65 2mgl n LYS 79 Ca -0.00 0.75 0.00 0.00 -2.02 0.00 0.00 58.31 57.04 2mgl n LYS 79 Cb 0.26 -5.63 0.00 0.00 -0.02 0.00 0.00 35.03 29.64 2mgl n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2mgl n GLY 80 N -1.50 3.43 2.82 0.72 0.00 -1.26 -4.96 105.19 104.44 2mgl n GLY 80 Ca -0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 2mgl n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2mgl n HIS 81 N -1.75 2.58 -0.02 1.61 8.25 -0.70 -4.59 115.22 120.61 2mgl n HIS 81 Ca 0.00 -2.67 0.01 0.00 -0.26 0.00 0.00 57.72 54.80 2mgl n HIS 81 Cb 0.00 -1.55 0.02 0.00 1.12 0.00 0.00 29.99 29.58 2mgl n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2mgl n HIS 82 N 1.94 0.06 -0.35 4.41 1.44 -1.26 -4.73 115.22 116.73 2mgl n HIS 82 Ca 0.39 -0.47 0.09 0.00 -2.01 0.00 0.00 57.72 55.73 2mgl n HIS 82 Cb 0.32 -0.04 0.20 0.00 0.12 0.00 0.00 29.99 30.58 2mgl n HIS 82 CO 0.00 0.00 0.00 -0.85 -2.81 0.00 0.00 176.34 172.68 2mgl n GLU 83 N -0.34 -0.09 0.07 -1.40 0.00 -1.26 -1.48 120.64 116.14 2mgl n GLU 83 Ca 0.01 1.52 -0.13 0.00 0.00 0.00 0.00 57.16 58.57 2mgl n GLU 83 Cb 0.26 -2.32 -0.07 0.00 0.00 0.00 0.00 31.44 29.31 2mgl n GLU 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2mgl h ALA 84 N 1.97 -0.09 -0.15 -1.84 0.00 -2.00 -2.31 119.26 114.84 2mgl h ALA 84 Ca 0.52 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.42 2mgl h ALA 84 Cb 0.91 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2mgl h ALA 84 CO -0.98 -0.55 0.10 0.93 0.00 0.00 0.00 179.25 178.74 2mgl h GLU 85 N -0.09 0.15 -0.00 0.00 3.07 -1.83 -3.24 114.58 112.64 2mgl h GLU 85 Ca -0.01 -0.01 -0.17 0.00 -0.50 0.00 0.00 59.36 58.68 2mgl h GLU 85 Cb 0.08 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 27.93 2mgl h GLU 85 CO 0.01 0.10 -0.78 -0.07 -1.40 0.00 0.00 179.01 176.88 2mgl h LEU 86 N 0.16 0.08 -0.08 1.33 4.07 -0.71 -3.34 115.31 116.82 2mgl h LEU 86 Ca 0.06 -0.06 0.04 0.00 0.08 0.00 0.00 57.88 58.00 2mgl h LEU 86 Cb 0.04 -0.02 -0.06 0.00 1.08 0.00 0.00 40.66 41.70 2mgl h LEU 86 CO -0.01 0.82 -0.36 0.11 -1.08 0.00 0.00 178.44 177.92 2mgl h LYS 87 N 0.04 -0.45 0.00 1.13 1.57 -1.51 0.17 116.57 117.51 2mgl h LYS 87 Ca -0.02 0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.69 2mgl h LYS 87 Cb 1.36 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.76 2mgl h LYS 87 CO 0.11 -0.30 -0.51 -1.00 -0.57 0.00 0.00 179.45 177.18 2mgl h PRO 88 N -0.47 0.00 -0.19 3.15 0.13 -1.77 -1.96 132.00 130.88 2mgl h PRO 88 Ca 0.08 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 65.05 2mgl h PRO 88 Cb 0.59 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.72 2mgl h PRO 88 CO -0.34 0.51 -0.50 1.25 -0.23 0.00 0.00 178.00 178.69 2mgl h LEU 89 N 0.00 0.78 -0.90 1.56 5.85 -1.60 -2.29 115.31 118.71 2mgl h LEU 89 Ca -0.01 -0.57 -0.11 0.00 0.84 0.00 0.00 57.88 58.03 2mgl h LEU 89 Cb 0.97 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 2mgl h LEU 89 CO 0.07 1.21 -0.43 0.00 -0.34 0.00 0.00 178.44 178.95 2mgl h ALA 90 N 0.59 1.07 -0.25 1.25 0.00 -0.41 -2.04 119.26 119.46 2mgl h ALA 90 Ca -0.01 -0.43 -0.08 0.00 0.00 0.00 0.00 54.91 54.39 2mgl h ALA 90 Cb 1.12 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 2mgl h ALA 90 CO 0.11 0.61 -0.17 0.37 0.00 0.00 0.00 179.25 180.17 2mgl h GLN 91 N 0.21 0.56 -0.17 0.00 4.15 -1.29 0.60 115.11 119.17 2mgl h GLN 91 Ca 0.02 -0.26 -0.16 0.00 0.77 0.00 0.00 58.65 59.01 2mgl h GLN 91 Cb 0.85 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.53 2mgl h GLN 91 CO 0.07 0.84 -0.58 0.66 -1.93 0.00 0.00 178.83 177.89 2mgl h SER 92 N 0.27 0.60 0.36 -0.69 4.64 -1.36 -0.95 113.55 116.42 2mgl h SER 92 Ca 0.05 -0.33 -0.19 0.00 -0.47 0.00 0.00 61.79 60.85 2mgl h SER 92 Cb 0.70 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.61 2mgl h SER 92 CO 0.05 1.04 -0.76 0.45 -0.87 0.00 0.00 176.83 176.74 2mgl h HIS 93 N 0.41 0.46 0.00 4.77 3.86 -1.25 0.39 115.15 123.79 2mgl h HIS 93 Ca 0.00 -0.21 -0.19 0.00 -1.16 0.00 0.00 60.37 58.80 2mgl h HIS 93 Cb 1.12 -0.07 -0.03 0.00 1.06 0.00 0.00 27.41 29.50 2mgl h HIS 93 CO 0.05 0.97 -0.92 0.00 0.86 0.00 0.00 177.93 178.89 2mgl h ALA 94 N 0.96 0.46 0.00 2.45 0.00 -0.85 0.31 119.26 122.60 2mgl h ALA 94 Ca -0.04 -0.84 -0.26 0.00 0.00 0.00 0.00 54.91 53.78 2mgl h ALA 94 Cb 1.35 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.94 2mgl h ALA 94 CO 0.13 1.15 -1.98 2.41 0.00 0.00 0.00 179.25 180.96 2mgl n THR 95 N -3.42 0.98 -0.10 0.00 -1.04 -0.37 -4.11 114.28 106.23 2mgl n THR 95 Ca -0.00 -0.39 -0.16 0.00 -2.04 0.00 0.00 64.05 61.45 2mgl n THR 95 Cb 0.88 -1.08 -0.07 0.00 -1.82 0.00 0.00 70.33 68.24 2mgl n THR 95 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2mgl n LYS 96 N -2.97 0.53 0.09 -2.82 4.81 -0.27 -4.70 118.16 112.83 2mgl n LYS 96 Ca -0.30 0.44 -0.22 0.00 -0.87 0.00 0.00 58.31 57.35 2mgl n LYS 96 Cb 0.83 -1.63 -0.15 0.00 0.02 0.00 0.00 35.03 34.10 2mgl n LYS 96 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2mgl h HIS 97 N -1.00 0.75 -4.29 5.64 3.86 -1.17 -3.49 115.15 115.46 2mgl h HIS 97 Ca -0.27 -0.55 0.00 0.00 -1.16 0.00 0.00 60.37 58.40 2mgl h HIS 97 Cb 1.09 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 29.53 2mgl h HIS 97 CO -0.12 1.43 -0.04 1.63 0.86 0.00 0.00 177.93 181.69 2mgl n LYS 98 N -3.94 -0.80 -3.75 2.45 5.02 -0.05 -5.00 118.16 112.08 2mgl n LYS 98 Ca -0.15 1.09 -0.37 0.00 -2.02 0.00 0.00 58.31 56.86 2mgl n LYS 98 Cb 0.95 -3.83 -0.12 0.00 -0.02 0.00 0.00 35.03 32.00 2mgl n LYS 98 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2mgl s ILE 99 N -2.86 4.34 0.47 -0.18 -1.09 -0.31 -5.02 121.20 116.56 2mgl s ILE 99 Ca 0.02 -0.17 -0.22 0.00 -2.23 0.00 0.00 60.65 58.05 2mgl s ILE 99 Cb -0.00 -3.04 -0.08 0.00 -1.58 0.00 0.00 42.46 37.76 2mgl s ILE 99 CO 0.41 0.33 1.10 -2.16 -1.23 0.00 0.00 174.94 173.39 2mgl s PRO 100 N 1.62 3.77 0.33 2.79 0.04 -1.26 -4.82 135.00 137.47 2mgl s PRO 100 Ca 0.06 1.57 0.11 0.00 0.04 0.00 0.00 61.00 62.77 2mgl s PRO 100 Cb -0.15 -2.26 0.90 0.00 0.04 0.00 0.00 34.50 33.03 2mgl s PRO 100 CO 0.04 -0.49 1.75 0.82 0.04 0.00 0.00 177.00 179.15 2mgl h ILE 101 N 1.71 0.56 -0.73 0.56 1.08 -1.97 0.16 117.51 118.89 2mgl h ILE 101 Ca -0.49 -0.20 0.15 0.00 -0.39 0.00 0.00 64.86 63.93 2mgl h ILE 101 Cb 1.24 -0.07 -0.05 0.00 -3.07 0.00 0.00 36.82 34.87 2mgl h ILE 101 CO 0.60 0.11 0.49 0.50 -0.69 0.00 0.00 178.15 179.15 2mgl h LYS 102 N 0.58 0.36 0.00 2.37 1.63 -1.90 -1.30 116.57 118.30 2mgl h LYS 102 Ca 0.62 -0.02 -0.13 0.00 -0.85 0.00 0.00 60.65 60.27 2mgl h LYS 102 Cb 1.22 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 32.75 2mgl h LYS 102 CO -0.42 0.23 -0.61 1.88 -3.45 0.00 0.00 179.45 177.08 2mgl h TYR 103 N 0.37 0.00 0.00 1.91 -1.99 -1.03 -1.64 116.97 114.59 2mgl h TYR 103 Ca 0.36 0.00 -0.07 0.00 2.00 0.00 0.00 58.73 61.01 2mgl h TYR 103 Cb 0.87 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.59 2mgl h TYR 103 CO -0.00 0.61 -0.34 -0.07 -0.00 0.00 0.00 178.16 178.36 2mgl h LEU 104 N 0.00 0.00 -0.19 3.88 3.38 -1.17 -2.03 115.31 119.18 2mgl h LEU 104 Ca -0.01 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 2mgl h LEU 104 Cb 1.20 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.95 2mgl h LEU 104 CO 0.08 0.34 -0.26 -0.33 0.09 0.00 0.00 178.44 178.37 2mgl h GLU 105 N 0.00 0.52 -0.91 1.13 5.08 -0.44 -1.54 114.58 118.42 2mgl h GLU 105 Ca -0.00 -0.30 0.06 0.00 -1.00 0.00 0.00 59.36 58.12 2mgl h GLU 105 Cb 0.98 0.02 -0.06 0.00 0.50 0.00 0.00 28.75 30.20 2mgl h GLU 105 CO 0.04 0.89 0.59 0.74 -1.00 0.00 0.00 179.01 180.28 2mgl h PHE 106 N 0.18 1.06 0.00 4.33 0.04 -1.07 -1.62 116.94 119.87 2mgl h PHE 106 Ca 0.02 0.03 -0.14 0.00 2.80 0.00 0.00 57.97 60.68 2mgl h PHE 106 Cb 0.82 -0.35 -0.02 0.00 2.20 0.00 0.00 35.95 38.60 2mgl h PHE 106 CO 0.09 0.57 -0.67 0.97 -0.60 0.00 0.00 178.31 178.67 2mgl h ILE 107 N 1.06 1.23 -0.77 -0.55 2.10 -1.30 -2.12 117.51 117.16 2mgl h ILE 107 Ca 0.38 -2.51 -0.03 0.00 1.08 0.00 0.00 64.86 63.78 2mgl h ILE 107 Cb 0.16 2.46 -0.04 0.00 -1.09 0.00 0.00 36.82 38.31 2mgl h ILE 107 CO -0.14 0.66 0.37 0.28 -1.08 0.00 0.00 178.15 178.24 2mgl h SER 108 N 0.00 1.00 -0.36 2.19 0.02 -0.55 -0.64 113.55 115.21 2mgl h SER 108 Ca -0.01 -0.11 -0.04 0.00 -0.84 0.00 0.00 61.79 60.79 2mgl h SER 108 Cb 1.40 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.67 2mgl h SER 108 CO 0.09 0.84 0.08 -0.08 -1.14 0.00 0.00 176.83 176.61 2mgl h GLU 109 N 1.10 0.58 -0.10 3.45 4.81 -1.04 -1.75 114.58 121.63 2mgl h GLU 109 Ca 0.27 -0.15 -0.03 0.00 -0.13 0.00 0.00 59.36 59.32 2mgl h GLU 109 Cb 0.10 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 2mgl h GLU 109 CO -0.03 0.64 -0.08 0.00 -0.73 0.00 0.00 179.01 178.80 2mgl h ALA 110 N 0.92 1.69 -0.14 2.92 0.00 -1.05 -1.23 119.26 122.37 2mgl h ALA 110 Ca 0.11 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 2mgl h ALA 110 Cb 0.32 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2mgl h ALA 110 CO 0.00 0.24 -0.37 0.82 0.00 0.00 0.00 179.25 179.94 2mgl h ILE 111 N 0.14 1.36 -0.08 0.00 2.04 -0.79 -1.56 117.51 118.62 2mgl h ILE 111 Ca 0.03 -1.64 -0.09 0.00 1.00 0.00 0.00 64.86 64.16 2mgl h ILE 111 Cb 0.24 2.03 -0.01 0.00 -0.74 0.00 0.00 36.82 38.34 2mgl h ILE 111 CO 0.01 0.49 -0.34 0.40 0.00 0.00 0.00 178.15 178.72 2mgl h ILE 112 N 0.12 1.27 -0.14 -0.67 2.04 -1.18 -1.25 117.51 117.70 2mgl h ILE 112 Ca -0.01 -1.29 -0.02 0.00 1.00 0.00 0.00 64.86 64.54 2mgl h ILE 112 Cb 0.98 1.58 -0.00 0.00 -0.74 0.00 0.00 36.82 38.64 2mgl h ILE 112 CO 0.08 0.38 -0.01 -0.74 0.00 0.00 0.00 178.15 177.86 2mgl h HIS 113 N 0.14 0.27 -0.39 1.37 2.76 -1.00 -1.62 115.15 116.68 2mgl h HIS 113 Ca 0.02 -0.05 -0.07 0.00 -2.20 0.00 0.00 60.37 58.07 2mgl h HIS 113 Cb 0.67 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 29.55 2mgl h HIS 113 CO 0.01 0.49 -0.03 0.28 -1.30 0.00 0.00 177.93 177.38 2mgl h VAL 114 N -0.03 1.27 -0.69 5.26 2.07 -1.04 -0.86 116.25 122.23 2mgl h VAL 114 Ca 0.04 -1.07 -0.03 0.00 0.82 0.00 0.00 66.70 66.45 2mgl h VAL 114 Cb 0.39 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.30 2mgl h VAL 114 CO 0.01 0.36 0.29 -0.07 0.02 0.00 0.00 177.57 178.18 2mgl h LEU 115 N 0.53 0.91 -0.26 2.57 3.38 -1.14 -0.55 115.31 120.75 2mgl h LEU 115 Ca 0.11 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 2mgl h LEU 115 Cb 0.52 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2mgl h LEU 115 CO 0.03 0.80 0.16 -0.74 0.09 0.00 0.00 178.44 178.78 2mgl h HIS 116 N 0.99 0.35 -0.49 1.13 2.76 -1.23 0.13 115.15 118.78 2mgl h HIS 116 Ca 0.23 0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.35 2mgl h HIS 116 Cb 0.16 -0.11 -0.02 0.00 1.55 0.00 0.00 27.41 28.99 2mgl h HIS 116 CO 0.01 0.26 0.08 0.77 -1.30 0.00 0.00 177.93 177.75 2mgl h SER 117 N 0.34 0.77 1.22 3.26 0.02 -0.57 -3.26 113.55 115.33 2mgl h SER 117 Ca 0.10 -0.26 -0.04 0.00 -0.84 0.00 0.00 61.79 60.75 2mgl h SER 117 Cb 0.01 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.34 2mgl h SER 117 CO -0.02 0.83 -0.80 0.03 -1.14 0.00 0.00 176.83 175.73 2mgl h ARG 118 N 0.68 0.00 -1.29 3.45 3.08 -1.02 -3.40 114.38 115.88 2mgl h ARG 118 Ca 0.15 0.00 -0.46 0.00 0.07 0.00 0.00 59.98 59.74 2mgl h ARG 118 Cb 0.39 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.03 2mgl h ARG 118 CO 0.01 0.10 -1.01 0.72 -1.07 0.00 0.00 179.97 178.72 2mgl n HIS 119 N -2.87 2.03 0.15 3.04 8.25 0.44 -4.92 115.22 121.34 2mgl n HIS 119 Ca -0.01 -3.01 0.18 0.00 -0.26 0.00 0.00 57.72 54.63 2mgl n HIS 119 Cb 0.62 -0.28 0.79 0.00 1.12 0.00 0.00 29.99 32.24 2mgl n HIS 119 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2mgl h PRO 120 N 2.85 0.00 0.00 -0.41 0.13 -1.71 0.05 132.00 132.90 2mgl h PRO 120 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 2mgl h PRO 120 Cb 1.05 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.18 2mgl h PRO 120 CO 0.64 0.00 -0.50 0.78 -0.23 0.00 0.00 178.00 178.69 2mgl h GLY 121 N 0.00 0.00 -0.68 1.56 0.00 -1.91 -2.81 103.07 99.23 2mgl h GLY 121 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.46 2mgl h GLY 121 CO -0.00 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.24 2mgl n ASN 122 N -2.55 2.64 -2.64 0.19 3.02 -0.35 -4.62 115.26 110.95 2mgl n ASN 122 Ca 0.03 -2.29 -0.10 0.00 -0.03 0.00 0.00 54.58 52.19 2mgl n ASN 122 Cb 0.50 -0.22 0.03 0.00 -0.61 0.00 0.00 39.78 39.48 2mgl n ASN 122 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 2mgl n PHE 123 N -0.27 1.58 -0.80 3.10 7.35 -0.14 -4.63 117.46 123.65 2mgl n PHE 123 Ca 0.09 -2.64 -0.15 0.00 -0.76 0.00 0.00 57.45 53.99 2mgl n PHE 123 Cb 0.46 -0.30 0.12 0.00 0.35 0.00 0.00 39.48 40.11 2mgl n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2mgl n GLY 124 N -0.29 -2.55 0.27 7.13 0.00 -1.24 -4.63 105.19 103.87 2mgl n GLY 124 Ca 0.15 -1.48 -0.01 0.00 0.00 0.00 0.00 46.02 44.68 2mgl n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2mgl h ALA 125 N -2.35 0.96 -0.28 4.61 0.00 -1.98 0.19 119.26 120.41 2mgl h ALA 125 Ca -0.20 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 2mgl h ALA 125 Cb 0.62 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2mgl h ALA 125 CO 0.13 0.10 -0.11 -0.44 0.00 0.00 0.00 179.25 178.93 2mgl h ASP 126 N 0.75 0.58 -0.50 0.00 3.32 -1.99 -0.50 116.42 118.08 2mgl h ASP 126 Ca 0.32 -0.40 -0.03 0.00 0.02 0.00 0.00 57.03 56.94 2mgl h ASP 126 Cb 0.19 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 2mgl h ASP 126 CO -0.18 0.85 0.20 0.00 -1.72 0.00 0.00 179.24 178.38 2mgl h ALA 127 N 0.75 1.32 -0.36 3.45 0.00 -1.82 -1.54 119.26 121.07 2mgl h ALA 127 Ca 0.07 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 2mgl h ALA 127 Cb 0.62 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 2mgl h ALA 127 CO 0.04 0.50 -0.18 0.37 0.00 0.00 0.00 179.25 179.97 2mgl h GLN 128 N 0.78 0.67 -0.39 0.00 4.15 -0.32 -1.10 115.11 118.90 2mgl h GLN 128 Ca 0.18 -0.24 -0.05 0.00 0.77 0.00 0.00 58.65 59.31 2mgl h GLN 128 Cb 0.19 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.82 2mgl h GLN 128 CO -0.01 0.81 0.04 0.78 -1.93 0.00 0.00 178.83 178.51 2mgl h GLY 129 N 0.98 0.72 0.93 2.39 0.00 -0.84 -0.93 103.07 106.33 2mgl h GLY 129 Ca 0.09 -0.50 0.02 0.00 0.00 0.00 0.00 47.33 46.94 2mgl h GLY 129 CO 0.04 0.46 0.53 0.00 0.00 0.00 0.00 176.54 177.57 2mgl h ALA 130 N 0.91 1.05 -0.49 3.60 0.00 -1.09 -0.98 119.26 122.26 2mgl h ALA 130 Ca 0.12 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 2mgl h ALA 130 Cb 0.41 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2mgl h ALA 130 CO 0.01 0.38 0.06 1.98 0.00 0.00 0.00 179.25 181.69 2mgl h MET 131 N 1.05 0.83 -0.82 0.00 -1.53 -0.94 -0.67 114.93 112.85 2mgl h MET 131 Ca 0.31 -0.23 -0.01 0.00 -3.44 0.00 0.00 59.70 56.33 2mgl h MET 131 Cb -0.05 -0.09 -0.04 0.00 -0.55 0.00 0.00 31.60 30.87 2mgl h MET 131 CO -0.09 0.84 0.48 -0.97 0.14 0.00 0.00 176.91 177.30 2mgl h ASN 132 N 0.70 1.00 -0.47 1.39 -1.24 -1.09 -0.84 115.58 115.02 2mgl h ASN 132 Ca 0.15 -0.08 -0.04 0.00 0.71 0.00 0.00 56.30 57.04 2mgl h ASN 132 Cb 0.42 -0.25 -0.02 0.00 0.73 0.00 0.00 38.32 39.19 2mgl h ASN 132 CO 0.01 0.78 0.15 0.50 -1.29 0.00 0.00 177.43 177.59 2mgl h LYS 133 N 1.13 0.79 -0.03 6.67 3.64 -0.71 0.86 116.57 128.91 2mgl h LYS 133 Ca 0.29 -0.14 -0.14 0.00 -1.27 0.00 0.00 60.65 59.39 2mgl h LYS 133 Cb -0.02 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.66 2mgl h LYS 133 CO -0.05 0.69 -0.64 0.00 -2.27 0.00 0.00 179.45 177.18 2mgl h ALA 134 N 1.40 0.87 0.13 5.00 0.00 -0.63 -1.03 119.26 125.01 2mgl h ALA 134 Ca 0.17 -0.58 -0.28 0.00 0.00 0.00 0.00 54.91 54.22 2mgl h ALA 134 Cb 0.24 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2mgl h ALA 134 CO -0.01 0.78 -1.33 -0.07 0.00 0.00 0.00 179.25 178.62 2mgl h LEU 135 N 0.08 0.42 -0.57 0.00 3.38 -0.76 -1.31 115.31 116.55 2mgl h LEU 135 Ca -0.01 -0.48 -0.01 0.00 0.09 0.00 0.00 57.88 57.47 2mgl h LEU 135 Cb 1.15 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.73 2mgl h LEU 135 CO 0.09 1.39 0.33 -0.33 0.09 0.00 0.00 178.44 180.00 2mgl h GLU 136 N 0.07 0.79 0.09 1.13 5.08 -0.71 -0.18 114.58 120.84 2mgl h GLU 136 Ca -0.17 -0.08 0.02 0.00 -1.00 0.00 0.00 59.36 58.13 2mgl h GLU 136 Cb 1.99 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 31.05 2mgl h GLU 136 CO 0.19 0.59 -0.25 1.25 -1.00 0.00 0.00 179.01 179.79 2mgl h LEU 137 N 0.77 -0.73 -0.38 1.33 5.85 -1.03 0.18 115.31 121.30 2mgl h LEU 137 Ca 0.20 0.09 0.08 0.00 0.84 0.00 0.00 57.88 59.09 2mgl h LEU 137 Cb 0.02 0.28 -0.09 0.00 0.37 0.00 0.00 40.66 41.24 2mgl h LEU 137 CO -0.03 -0.34 -0.31 0.15 -0.34 0.00 0.00 178.44 177.56 2mgl h PHE 138 N -0.44 -0.87 -0.52 1.25 3.57 -1.10 -1.19 116.94 117.64 2mgl h PHE 138 Ca 0.04 0.05 0.03 0.00 3.53 0.00 0.00 57.97 61.63 2mgl h PHE 138 Cb 0.48 0.44 -0.03 0.00 2.79 0.00 0.00 35.95 39.63 2mgl h PHE 138 CO -0.25 -0.38 0.35 0.00 -2.23 0.00 0.00 178.31 175.80 2mgl h ARG 139 N -0.25 0.57 -0.20 1.11 3.08 -0.67 -0.55 114.38 117.47 2mgl h ARG 139 Ca 0.17 -0.03 -0.19 0.00 0.07 0.00 0.00 59.98 59.99 2mgl h ARG 139 Cb 0.53 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.45 2mgl h ARG 139 CO -0.52 0.38 -0.63 -0.22 -1.07 0.00 0.00 179.97 177.91 2mgl h LYS 140 N 0.59 0.72 -0.18 0.04 3.64 -0.06 0.02 116.57 121.33 2mgl h LYS 140 Ca 0.21 -0.50 -0.19 0.00 -1.27 0.00 0.00 60.65 58.90 2mgl h LYS 140 Cb 0.11 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 2mgl h LYS 140 CO -0.06 1.12 -0.64 -0.44 -2.27 0.00 0.00 179.45 177.16 2mgl h ASP 141 N 0.53 0.77 0.07 4.20 5.19 -0.98 -1.63 116.42 124.57 2mgl h ASP 141 Ca -0.01 -0.45 -0.00 0.00 -0.62 0.00 0.00 57.03 55.94 2mgl h ASP 141 Cb 1.23 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 40.52 2mgl h ASP 141 CO 0.13 1.21 -0.04 0.40 -3.12 0.00 0.00 179.24 177.83 2mgl h ILE 142 N 0.49 1.05 -0.92 0.35 1.08 -1.04 -1.51 117.51 117.01 2mgl h ILE 142 Ca -0.01 -0.41 0.15 0.00 -0.39 0.00 0.00 64.86 64.20 2mgl h ILE 142 Cb 1.23 1.31 -0.09 0.00 -3.07 0.00 0.00 36.82 36.20 2mgl h ILE 142 CO 0.13 0.10 0.52 0.00 -0.69 0.00 0.00 178.15 178.21 2mgl h ALA 143 N 0.63 1.41 -0.46 1.87 0.00 -0.89 0.90 119.26 122.73 2mgl h ALA 143 Ca -0.01 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 2mgl h ALA 143 Cb 0.24 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2mgl h ALA 143 CO 0.02 0.00 -0.05 0.00 0.00 0.00 0.00 179.25 179.21 2mgl h ALA 144 N 1.57 1.03 -0.02 0.00 0.00 -1.07 -2.33 119.26 118.44 2mgl h ALA 144 Ca 0.49 -0.29 -0.12 0.00 0.00 0.00 0.00 54.91 54.99 2mgl h ALA 144 Cb 0.65 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2mgl h ALA 144 CO -0.34 0.59 -0.54 0.87 0.00 0.00 0.00 179.25 179.83 2mgl h LYS 145 N 0.74 0.06 0.06 0.00 6.56 -0.62 -2.73 116.57 120.64 2mgl h LYS 145 Ca 0.13 -0.04 0.00 0.00 -1.06 0.00 0.00 60.65 59.69 2mgl h LYS 145 Cb 0.53 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.18 2mgl h LYS 145 CO 0.03 0.59 -0.06 1.88 -2.06 0.00 0.00 179.45 179.83 2mgl h TYR 146 N 0.05 -0.15 -0.69 -1.35 0.05 -0.47 0.21 116.97 114.61 2mgl h TYR 146 Ca -0.00 0.00 0.12 0.00 0.05 0.00 0.00 58.73 58.90 2mgl h TYR 146 Cb 0.98 0.06 -0.08 0.00 1.01 0.00 0.00 36.73 38.69 2mgl h TYR 146 CO 0.00 -0.09 0.27 -0.22 -1.05 0.00 0.00 178.16 177.07 2mgl h LYS 147 N -0.13 0.43 0.00 4.88 3.64 -1.35 0.14 116.57 124.17 2mgl h LYS 147 Ca 0.00 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.28 2mgl h LYS 147 Cb 0.13 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 2mgl h LYS 147 CO -0.02 0.28 -0.38 0.93 -2.27 0.00 0.00 179.45 178.00 2mgl h GLU 148 N 0.44 0.00 0.00 1.90 5.08 -1.09 -1.59 114.58 119.32 2mgl h GLU 148 Ca 0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 2mgl h GLU 148 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 2mgl h GLU 148 CO -0.36 0.38 -0.21 1.28 -1.00 0.00 0.00 179.01 179.10 2mgl n LEU 149 N -4.06 0.52 0.00 1.33 4.77 0.00 -4.92 117.00 114.65 2mgl n LEU 149 Ca -0.02 0.40 0.00 0.00 -0.03 0.00 0.00 56.01 56.36 2mgl n LEU 149 Cb 0.41 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 2mgl n LEU 149 CO 0.39 -0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 2mgl n GLY 150 N 1.39 1.04 0.13 -0.72 0.00 -0.09 -4.98 105.19 101.96 2mgl n GLY 150 Ca 0.05 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 2mgl n GLY 150 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2mgl n TYR 151 N -1.52 0.00 -2.10 1.61 9.36 0.30 -4.99 117.16 119.83 2mgl n TYR 151 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 2mgl n TYR 151 Cb 0.00 -0.54 0.00 0.00 -0.63 0.00 0.00 39.34 38.17 2mgl n TYR 151 CO 0.00 0.00 0.00 0.94 0.22 0.00 0.00 176.86 178.02 2mgl n GLN 152 N -3.00 0.00 0.00 2.98 0.00 -0.97 -4.84 117.38 111.54 2mgl n GLN 152 Ca -0.25 0.00 0.10 0.00 -0.00 0.00 0.00 57.00 56.84 2mgl n GLN 152 Cb 0.76 0.00 0.08 0.00 0.00 0.00 0.00 30.24 31.08 2mgl n GLN 152 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47