#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2mgg s VAL 1 N 0.00 -0.41 0.46 3.17 1.01 -1.26 -5.06 120.40 118.32 2mgg s VAL 1 Ca 0.00 0.25 -0.20 0.00 0.00 0.00 0.00 61.98 62.02 2mgg s VAL 1 Cb 0.00 -0.46 -0.10 0.00 0.00 0.00 0.00 36.38 35.82 2mgg s VAL 1 CO 0.00 0.09 0.99 -0.76 0.00 0.00 0.00 175.10 175.43 2mgg s LEU 2 N 2.41 3.88 0.77 3.92 1.02 -1.26 -5.07 118.68 124.35 2mgg s LEU 2 Ca 0.02 1.80 -0.11 0.00 0.02 0.00 0.00 54.13 55.86 2mgg s LEU 2 Cb -0.12 -4.55 0.06 0.00 0.02 0.00 0.00 46.19 41.60 2mgg s LEU 2 CO -0.09 -0.58 1.14 -0.94 0.02 0.00 0.00 176.35 175.90 2mgg s SER 3 N -2.12 4.81 0.31 2.29 1.04 -1.26 -4.89 113.70 113.88 2mgg s SER 3 Ca 0.64 0.85 -0.00 0.00 0.48 0.00 0.00 55.95 57.92 2mgg s SER 3 Cb -0.13 -1.45 0.49 0.00 0.10 0.00 0.00 66.02 65.03 2mgg s SER 3 CO 0.17 -1.71 1.92 -0.08 0.98 0.00 0.00 173.24 174.53 2mgg h GLU 4 N -0.89 0.90 -0.73 4.02 4.57 -1.99 -1.97 114.58 118.49 2mgg h GLU 4 Ca -0.46 -0.10 -0.01 0.00 -1.18 0.00 0.00 59.36 57.61 2mgg h GLU 4 Cb 1.31 -0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 29.68 2mgg h GLU 4 CO 0.65 0.68 0.42 0.78 -1.18 0.00 0.00 179.01 180.35 2mgg h GLY 5 N 0.97 1.08 0.95 1.92 0.00 -1.99 0.22 103.07 106.22 2mgg h GLY 5 Ca 0.23 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 47.08 2mgg h GLY 5 CO -0.03 0.45 0.16 0.83 0.00 0.00 0.00 176.54 177.95 2mgg h GLU 6 N 1.00 0.41 -0.80 4.80 5.08 -1.85 -2.52 114.58 120.71 2mgg h GLU 6 Ca 0.26 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.58 2mgg h GLU 6 Cb 0.01 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.14 2mgg h GLU 6 CO -0.04 0.37 0.53 -1.49 -1.00 0.00 0.00 179.01 177.37 2mgg h TRP 7 N 0.35 0.99 -0.80 4.33 4.06 -1.11 -1.53 115.95 122.24 2mgg h TRP 7 Ca 0.10 0.02 -0.04 0.00 2.06 0.00 0.00 58.89 61.03 2mgg h TRP 7 Cb 0.08 -0.33 -0.04 0.00 -1.00 0.00 0.00 29.16 27.87 2mgg h TRP 7 CO -0.03 0.61 0.33 1.96 -3.56 0.00 0.00 178.44 177.75 2mgg h GLN 8 N 1.05 1.19 -0.63 0.49 1.08 -0.80 0.04 115.11 117.52 2mgg h GLN 8 Ca 0.30 -0.21 -0.05 0.00 -1.45 0.00 0.00 58.65 57.24 2mgg h GLN 8 Cb -0.07 -0.20 -0.03 0.00 -0.05 0.00 0.00 27.48 27.13 2mgg h GLN 8 CO -0.07 0.95 0.20 -0.07 -0.95 0.00 0.00 178.83 178.89 2mgg h LEU 9 N 1.15 0.88 -0.43 1.46 3.38 -0.90 -0.60 115.31 120.26 2mgg h LEU 9 Ca 0.27 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 58.00 2mgg h LEU 9 Cb 0.20 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 2mgg h LEU 9 CO -0.02 0.83 -0.07 0.58 0.09 0.00 0.00 178.44 179.84 2mgg h VAL 10 N 0.92 1.27 0.00 1.22 2.07 -1.01 -2.84 116.25 117.89 2mgg h VAL 10 Ca 0.21 -1.16 0.00 0.00 0.82 0.00 0.00 66.70 66.57 2mgg h VAL 10 Cb 0.26 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 2mgg h VAL 10 CO -0.01 0.39 -0.19 0.18 0.02 0.00 0.00 177.57 177.96 2mgg n LEU 11 N -4.33 0.49 -0.01 2.57 4.77 -0.03 -1.58 117.00 118.89 2mgg n LEU 11 Ca -0.01 0.40 -0.16 0.00 -0.03 0.00 0.00 56.01 56.21 2mgg n LEU 11 Cb 0.35 -0.34 -0.11 0.00 -2.33 0.00 0.00 43.42 40.99 2mgg n LEU 11 CO 0.43 -0.06 0.33 -0.74 -1.33 0.00 0.00 177.39 176.02 2mgg h HIS 12 N 0.00 0.42 0.00 -1.77 2.76 -0.97 -1.31 115.15 114.27 2mgg h HIS 12 Ca 0.00 -0.23 -0.11 0.00 -2.20 0.00 0.00 60.37 57.84 2mgg h HIS 12 Cb 0.63 -0.05 -0.02 0.00 1.55 0.00 0.00 27.41 29.53 2mgg h HIS 12 CO 0.00 1.03 -0.51 -0.24 -1.30 0.00 0.00 177.93 176.91 2mgg h VAL 13 N -0.31 1.01 -0.08 5.26 3.04 -1.39 -2.93 116.25 120.85 2mgg h VAL 13 Ca -0.05 -2.03 -0.09 0.00 -1.01 0.00 0.00 66.70 63.52 2mgg h VAL 13 Cb 1.14 2.23 -0.01 0.00 -2.01 0.00 0.00 31.29 32.64 2mgg h VAL 13 CO 0.08 0.50 -0.37 -0.25 -1.01 0.00 0.00 177.57 176.52 2mgg h TRP 14 N 0.00 0.19 -0.04 3.17 2.91 -1.11 -0.31 115.95 120.77 2mgg h TRP 14 Ca -0.01 -0.05 -0.05 0.00 1.13 0.00 0.00 58.89 59.91 2mgg h TRP 14 Cb 1.19 -0.04 -0.01 0.00 -0.51 0.00 0.00 29.16 29.78 2mgg h TRP 14 CO 0.00 0.52 -0.23 0.00 -1.03 0.00 0.00 178.44 177.70 2mgg h ALA 15 N 1.48 1.55 -0.16 2.65 0.00 -1.05 -1.21 119.26 122.51 2mgg h ALA 15 Ca 0.02 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.62 2mgg h ALA 15 Cb 0.73 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 2mgg h ALA 15 CO 0.05 0.34 -0.20 0.87 0.00 0.00 0.00 179.25 180.31 2mgg h LYS 16 N 0.06 0.42 -0.98 0.00 1.79 -1.09 -3.08 116.57 113.68 2mgg h LYS 16 Ca 0.01 -0.23 0.08 0.00 -2.18 0.00 0.00 60.65 58.33 2mgg h LYS 16 Cb 0.45 0.01 -0.07 0.00 -1.58 0.00 0.00 32.23 31.04 2mgg h LYS 16 CO 0.03 0.81 0.63 0.28 -1.08 0.00 0.00 179.45 180.12 2mgg h VAL 17 N 0.05 1.03 0.00 0.50 2.07 -0.98 -1.24 116.25 117.68 2mgg h VAL 17 Ca 0.02 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.17 2mgg h VAL 17 Cb 0.75 -0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 2mgg h VAL 17 CO 0.05 0.20 0.00 -0.62 0.02 0.00 0.00 177.57 177.21 2mgg n GLU 18 N -4.53 0.04 0.21 1.57 1.02 -0.49 -1.15 120.64 117.30 2mgg n GLU 18 Ca 0.16 0.38 0.07 0.00 -0.02 0.00 0.00 57.16 57.75 2mgg n GLU 18 Cb 0.25 -1.59 0.47 0.00 -0.02 0.00 0.00 31.44 30.55 2mgg n GLU 18 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2mgg h ALA 19 N 2.29 1.16 -2.23 0.62 0.00 -1.23 -3.37 119.26 116.51 2mgg h ALA 19 Ca 0.00 -0.26 -0.50 0.00 0.00 0.00 0.00 54.91 54.15 2mgg h ALA 19 Cb 0.17 -0.05 -0.35 0.00 0.00 0.00 0.00 17.79 17.57 2mgg h ALA 19 CO 0.00 0.36 -0.82 0.34 0.00 0.00 0.00 179.25 179.12 2mgg s ASP 20 N -6.44 1.67 0.06 0.00 2.15 -0.30 -5.02 116.67 108.79 2mgg s ASP 20 Ca -0.01 -2.28 -0.16 0.00 0.43 0.00 0.00 52.55 50.53 2mgg s ASP 20 Cb 0.12 0.01 -0.20 0.00 -0.30 0.00 0.00 42.92 42.55 2mgg s ASP 20 CO 0.66 -0.23 1.21 0.58 -0.17 0.00 0.00 175.17 177.22 2mgg h VAL 21 N 4.89 1.33 -0.09 1.11 2.07 -1.72 -2.28 116.25 121.56 2mgg h VAL 21 Ca 0.13 -2.04 -0.12 0.00 0.82 0.00 0.00 66.70 65.49 2mgg h VAL 21 Cb 0.98 2.28 -0.01 0.00 -1.52 0.00 0.00 31.29 33.02 2mgg h VAL 21 CO 0.26 0.62 -0.47 0.00 0.02 0.00 0.00 177.57 178.00 2mgg h ALA 22 N 0.44 1.03 -0.13 1.67 0.00 -1.92 0.60 119.26 120.96 2mgg h ALA 22 Ca -0.08 -0.45 -0.13 0.00 0.00 0.00 0.00 54.91 54.25 2mgg h ALA 22 Cb 1.42 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2mgg h ALA 22 CO 0.15 0.63 -0.42 0.78 0.00 0.00 0.00 179.25 180.39 2mgg h GLY 23 N 1.32 0.56 1.04 0.00 0.00 -1.92 -0.85 103.07 103.22 2mgg h GLY 23 Ca 0.01 -0.74 -0.06 0.00 0.00 0.00 0.00 47.33 46.54 2mgg h GLY 23 CO 0.07 0.66 0.20 0.45 0.00 0.00 0.00 176.54 177.93 2mgg h HIS 24 N 0.12 1.12 -0.97 5.60 3.86 -1.23 -1.94 115.15 121.70 2mgg h HIS 24 Ca -0.02 -0.12 0.06 0.00 -1.16 0.00 0.00 60.37 59.14 2mgg h HIS 24 Cb 1.05 -0.32 -0.07 0.00 1.06 0.00 0.00 27.41 29.13 2mgg h HIS 24 CO 0.11 0.90 0.63 0.78 0.86 0.00 0.00 177.93 181.20 2mgg h GLY 25 N 1.01 1.48 0.72 2.45 0.00 -0.41 -1.29 103.07 107.03 2mgg h GLY 25 Ca 0.22 -0.46 -0.01 0.00 0.00 0.00 0.00 47.33 47.08 2mgg h GLY 25 CO -0.01 0.33 -0.09 1.46 0.00 0.00 0.00 176.54 178.24 2mgg h GLN 26 N 1.15 -0.24 -0.94 4.80 4.20 -1.00 -2.18 115.11 120.89 2mgg h GLN 26 Ca 0.42 0.02 0.13 0.00 0.06 0.00 0.00 58.65 59.28 2mgg h GLN 26 Cb 0.15 0.05 -0.09 0.00 0.30 0.00 0.00 27.48 27.90 2mgg h GLN 26 CO -0.17 0.05 0.56 -0.44 -0.67 0.00 0.00 178.83 178.16 2mgg h ASP 27 N -0.53 0.77 -0.13 1.46 5.19 -1.17 -1.06 116.42 120.95 2mgg h ASP 27 Ca -0.03 0.07 -0.13 0.00 -0.62 0.00 0.00 57.03 56.33 2mgg h ASP 27 Cb 0.40 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 39.84 2mgg h ASP 27 CO 0.04 0.37 -0.41 0.40 -3.12 0.00 0.00 179.24 176.53 2mgg h ILE 28 N 0.84 1.36 -0.16 0.35 2.04 -1.17 -1.34 117.51 119.43 2mgg h ILE 28 Ca 0.49 -1.70 -0.12 0.00 1.00 0.00 0.00 64.86 64.53 2mgg h ILE 28 Cb 0.58 2.08 -0.01 0.00 -0.74 0.00 0.00 36.82 38.73 2mgg h ILE 28 CO -0.31 0.51 -0.41 -0.07 0.00 0.00 0.00 178.15 177.88 2mgg h LEU 29 N 0.13 0.38 -0.40 1.44 3.38 -1.27 0.15 115.31 119.10 2mgg h LEU 29 Ca -0.01 -0.16 -0.18 0.00 0.09 0.00 0.00 57.88 57.62 2mgg h LEU 29 Cb 1.03 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.67 2mgg h LEU 29 CO 0.09 0.75 -0.61 0.40 0.09 0.00 0.00 178.44 179.15 2mgg h ILE 30 N 0.30 1.32 -0.51 1.22 2.04 -1.17 0.86 117.51 121.56 2mgg h ILE 30 Ca 0.03 -1.87 -0.07 0.00 1.00 0.00 0.00 64.86 63.95 2mgg h ILE 30 Cb 0.85 1.83 -0.02 0.00 -0.74 0.00 0.00 36.82 38.74 2mgg h ILE 30 CO 0.07 0.58 0.03 -0.09 0.00 0.00 0.00 178.15 178.75 2mgg h ARG 31 N 0.46 0.84 -0.31 2.37 9.65 -0.88 0.29 114.38 126.81 2mgg h ARG 31 Ca -0.01 -0.22 -0.06 0.00 -1.10 0.00 0.00 59.98 58.60 2mgg h ARG 31 Cb 1.19 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 29.66 2mgg h ARG 31 CO 0.12 0.82 -0.03 1.25 2.80 0.00 0.00 179.97 184.93 2mgg h LEU 32 N 0.79 0.56 -0.96 3.80 5.85 -0.47 -0.29 115.31 124.59 2mgg h LEU 32 Ca 0.16 -0.33 -0.10 0.00 0.84 0.00 0.00 57.88 58.44 2mgg h LEU 32 Cb 0.43 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 2mgg h LEU 32 CO 0.02 0.76 -0.50 -0.26 -0.34 0.00 0.00 178.44 178.12 2mgg h PHE 33 N 0.35 0.00 0.04 1.25 0.04 -0.24 0.27 116.94 118.65 2mgg h PHE 33 Ca 0.08 0.00 -0.23 0.00 2.80 0.00 0.00 57.97 60.62 2mgg h PHE 33 Cb 0.49 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.64 2mgg h PHE 33 CO 0.04 0.50 -1.02 0.87 -0.60 0.00 0.00 178.31 178.10 2mgg h LYS 34 N 0.00 0.27 0.17 1.51 1.57 -0.15 -2.89 116.57 117.04 2mgg h LYS 34 Ca -0.00 -0.34 -0.29 0.00 -1.87 0.00 0.00 60.65 58.14 2mgg h LYS 34 Cb 0.92 0.11 0.02 0.00 0.08 0.00 0.00 32.23 33.36 2mgg h LYS 34 CO 0.06 1.08 -1.31 0.77 -0.57 0.00 0.00 179.45 179.48 2mgg h SER 35 N 0.12 0.56 -2.74 0.86 0.02 -0.91 -3.38 113.55 108.09 2mgg h SER 35 Ca -0.08 -0.59 -0.60 0.00 -0.84 0.00 0.00 61.79 59.68 2mgg h SER 35 Cb 1.69 -0.18 -0.39 0.00 0.14 0.00 0.00 62.40 63.65 2mgg h SER 35 CO 0.16 1.46 -0.83 -1.00 -1.14 0.00 0.00 176.83 175.49 2mgg s HIS 36 N -2.64 1.77 0.47 3.45 3.76 0.92 -4.97 115.29 118.05 2mgg s HIS 36 Ca -0.05 -2.51 0.27 0.00 -0.15 0.00 0.00 55.06 52.62 2mgg s HIS 36 Cb 0.06 -1.49 1.54 0.00 1.11 0.00 0.00 32.58 33.80 2mgg s HIS 36 CO 0.90 -0.75 2.12 -1.35 -0.85 0.00 0.00 174.74 174.81 2mgg h PRO 37 N 5.89 0.00 0.00 8.40 0.11 -1.69 0.14 132.00 144.85 2mgg h PRO 37 Ca 0.17 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.28 2mgg h PRO 37 Cb 0.88 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.99 2mgg h PRO 37 CO 0.46 0.09 -0.03 1.05 -0.21 0.00 0.00 178.00 179.36 2mgg h GLU 38 N 0.00 0.00 0.00 1.05 9.09 -1.92 -2.42 114.58 120.38 2mgg h GLU 38 Ca -0.00 0.00 -0.06 0.00 0.05 0.00 0.00 59.36 59.35 2mgg h GLU 38 Cb 0.23 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.33 2mgg h GLU 38 CO 0.01 0.03 -0.28 1.79 0.05 0.00 0.00 179.01 180.61 2mgg h THR 39 N 0.00 0.90 0.00 -1.06 1.35 -1.04 -2.61 112.91 110.45 2mgg h THR 39 Ca -0.00 -1.07 -0.02 0.00 -0.55 0.00 0.00 66.41 64.77 2mgg h THR 39 Cb 0.08 1.63 -0.00 0.00 -1.73 0.00 0.00 68.15 68.13 2mgg h THR 39 CO 0.00 0.27 -0.10 0.25 -0.25 0.00 0.00 175.52 175.69 2mgg h LEU 40 N 0.00 0.00 -2.91 3.87 5.85 -1.61 -2.05 115.31 118.46 2mgg h LEU 40 Ca -0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 2mgg h LEU 40 Cb 0.61 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.64 2mgg h LEU 40 CO 0.04 0.10 -0.00 -0.33 -0.34 0.00 0.00 178.44 177.91 2mgg h GLU 41 N 0.00 0.00 0.00 1.25 5.08 -1.61 -1.87 114.58 117.43 2mgg h GLU 41 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2mgg h GLU 41 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.44 2mgg h GLU 41 CO 0.01 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.65 2mgg n LYS 42 N -3.16 0.21 -3.26 2.33 4.76 -0.77 -4.47 118.16 113.79 2mgg n LYS 42 Ca -0.03 0.24 -0.46 0.00 -2.87 0.00 0.00 58.31 55.19 2mgg n LYS 42 Cb 0.08 -1.77 -0.04 0.00 -1.84 0.00 0.00 35.03 31.46 2mgg n LYS 42 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2mgg s PHE 43 N -3.13 3.38 0.37 2.13 0.08 -0.70 -4.90 117.98 115.20 2mgg s PHE 43 Ca 0.09 -1.49 0.04 0.00 0.12 0.00 0.00 56.93 55.70 2mgg s PHE 43 Cb 0.12 -3.87 0.71 0.00 -0.57 0.00 0.00 43.02 39.41 2mgg s PHE 43 CO 0.53 -1.08 1.99 -0.44 -0.10 0.00 0.00 175.22 176.12 2mgg h ASP 44 N 8.55 0.57 0.50 1.36 3.32 -1.84 -0.08 116.42 128.80 2mgg h ASP 44 Ca -0.13 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 56.87 2mgg h ASP 44 Cb 1.07 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.48 2mgg h ASP 44 CO 0.95 0.47 -0.07 0.03 -1.72 0.00 0.00 179.24 178.90 2mgg h ARG 45 N 0.65 0.00 -0.21 3.56 -0.00 -1.96 -3.34 114.38 113.08 2mgg h ARG 45 Ca 0.17 0.00 -0.20 0.00 -0.50 0.00 0.00 59.98 59.45 2mgg h ARG 45 Cb 0.03 0.00 -0.31 0.00 0.00 0.00 0.00 29.97 29.69 2mgg h ARG 45 CO -0.03 0.07 -0.82 1.97 0.00 0.00 0.00 179.97 181.16 2mgg n PHE 46 N -3.35 0.10 0.75 3.04 1.16 -0.17 -4.86 117.46 114.12 2mgg n PHE 46 Ca -0.01 -1.61 0.13 0.00 -1.87 0.00 0.00 57.45 54.09 2mgg n PHE 46 Cb 0.23 0.30 0.47 0.00 -1.61 0.00 0.00 39.48 38.87 2mgg n PHE 46 CO 0.00 0.00 0.00 0.36 -1.87 0.00 0.00 176.76 175.25 2mgg n LYS 47 N -0.60 0.18 0.16 3.97 2.85 -0.44 -2.39 118.16 121.89 2mgg n LYS 47 Ca -0.02 0.14 0.13 0.00 -1.05 0.00 0.00 58.31 57.51 2mgg n LYS 47 Cb 0.87 -1.70 0.48 0.00 -0.65 0.00 0.00 35.03 34.02 2mgg n LYS 47 CO 0.00 0.00 0.00 1.12 -0.05 0.00 0.00 177.40 178.47 2mgg h HIS 48 N 0.00 0.00 -2.12 5.58 2.07 -1.87 -3.46 115.15 115.34 2mgg h HIS 48 Ca 0.00 0.00 -0.61 0.00 -2.85 0.00 0.00 60.37 56.91 2mgg h HIS 48 Cb 0.66 0.00 0.05 0.00 2.57 0.00 0.00 27.41 30.69 2mgg h HIS 48 CO 0.00 0.00 0.82 1.28 -3.07 0.00 0.00 177.93 176.96 2mgg n LEU 49 N -2.51 2.96 -0.10 6.12 4.77 -1.01 -4.92 117.00 122.32 2mgg n LEU 49 Ca 0.03 1.06 -0.10 0.00 -0.03 0.00 0.00 56.01 56.98 2mgg n LEU 49 Cb 0.33 -1.38 -0.16 0.00 -2.33 0.00 0.00 43.42 39.88 2mgg n LEU 49 CO 0.25 -0.34 -1.15 0.29 -1.33 0.00 0.00 177.39 175.11 2mgg n LYS 50 N 4.04 0.73 -4.62 3.23 5.02 -1.26 -5.03 118.16 120.28 2mgg n LYS 50 Ca 0.19 -0.01 -0.28 0.00 -2.02 0.00 0.00 58.31 56.18 2mgg n LYS 50 Cb 0.27 -1.51 -0.09 0.00 -0.02 0.00 0.00 35.03 33.68 2mgg n LYS 50 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2mgg s THR 51 N -2.49 1.09 0.21 -0.18 -4.23 -1.26 -5.02 115.64 103.76 2mgg s THR 51 Ca -0.10 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.46 2mgg s THR 51 Cb 0.06 -2.42 -0.09 0.00 1.34 0.00 0.00 72.50 71.40 2mgg s THR 51 CO 0.82 0.00 1.49 -0.08 -0.54 0.00 0.00 174.62 176.31 2mgg h GLU 52 N 1.65 0.17 -0.41 3.99 4.81 -1.99 -0.61 114.58 122.20 2mgg h GLU 52 Ca -0.41 -0.15 -0.08 0.00 -0.13 0.00 0.00 59.36 58.60 2mgg h GLU 52 Cb 1.28 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.68 2mgg h GLU 52 CO 0.69 0.82 -0.07 0.00 -0.73 0.00 0.00 179.01 179.72 2mgg h ALA 53 N 1.13 1.11 -0.14 2.92 0.00 -1.99 0.14 119.26 122.43 2mgg h ALA 53 Ca -0.02 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.52 2mgg h ALA 53 Cb 1.28 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2mgg h ALA 53 CO 0.11 0.56 -0.32 0.93 0.00 0.00 0.00 179.25 180.53 2mgg h GLU 54 N 0.65 0.28 -0.32 0.00 5.08 -1.56 -2.55 114.58 116.16 2mgg h GLU 54 Ca 0.12 -0.11 -0.10 0.00 -1.00 0.00 0.00 59.36 58.27 2mgg h GLU 54 Cb 0.51 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 2mgg h GLU 54 CO 0.03 0.57 -0.21 0.52 -1.00 0.00 0.00 179.01 178.92 2mgg h MET 55 N 0.25 0.70 0.00 2.33 2.86 -0.27 -1.82 114.93 118.97 2mgg h MET 55 Ca 0.03 -0.33 0.00 0.00 -2.06 0.00 0.00 59.70 57.34 2mgg h MET 55 Cb 0.68 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.34 2mgg h MET 55 CO 0.05 0.94 0.00 0.87 1.06 0.00 0.00 176.91 179.83 2mgg h LYS 56 N 0.47 0.00 -0.02 1.72 1.57 -0.55 -1.96 116.57 117.79 2mgg h LYS 56 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2mgg h LYS 56 Cb 0.76 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.07 2mgg h LYS 56 CO 0.06 0.00 -0.38 0.00 -0.57 0.00 0.00 179.45 178.55 2mgg n ALA 57 N -2.05 3.34 -2.56 3.86 0.00 -0.98 -4.90 120.51 117.22 2mgg n ALA 57 Ca -0.00 -0.63 -0.42 0.00 0.00 0.00 0.00 53.44 52.39 2mgg n ALA 57 Cb 0.23 -0.74 -0.03 0.00 0.00 0.00 0.00 19.45 18.92 2mgg n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2mgg s SER 58 N -2.27 7.14 0.14 0.00 0.15 -0.72 -4.90 113.70 113.23 2mgg s SER 58 Ca 0.18 1.69 -0.09 0.00 0.70 0.00 0.00 55.95 58.44 2mgg s SER 58 Cb 0.17 -2.56 -0.06 0.00 -1.71 0.00 0.00 66.02 61.87 2mgg s SER 58 CO 0.50 -0.52 1.39 -0.08 1.20 0.00 0.00 173.24 175.72 2mgg h GLU 59 N 7.28 0.71 -0.90 5.44 4.22 -1.90 -2.70 114.58 126.73 2mgg h GLU 59 Ca -0.33 -0.52 -0.01 0.00 0.08 0.00 0.00 59.36 58.58 2mgg h GLU 59 Cb 1.16 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 30.45 2mgg h GLU 59 CO 0.87 1.14 0.52 -0.44 -2.18 0.00 0.00 179.01 178.92 2mgg h ASP 60 N 0.51 1.10 -0.55 1.04 3.32 -1.97 -1.45 116.42 118.43 2mgg h ASP 60 Ca -0.02 -0.09 -0.07 0.00 0.02 0.00 0.00 57.03 56.88 2mgg h ASP 60 Cb 1.28 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 40.53 2mgg h ASP 60 CO 0.14 0.87 0.09 0.25 -1.72 0.00 0.00 179.24 178.86 2mgg h LEU 61 N 1.25 0.88 -0.79 1.55 6.46 -1.88 -1.39 115.31 121.39 2mgg h LEU 61 Ca 0.32 -0.26 -0.07 0.00 -0.12 0.00 0.00 57.88 57.75 2mgg h LEU 61 Cb -0.01 -0.23 -0.03 0.00 -0.73 0.00 0.00 40.66 39.66 2mgg h LEU 61 CO -0.06 0.91 0.13 0.50 -0.62 0.00 0.00 178.44 179.31 2mgg h LYS 62 N 0.80 1.04 -0.52 1.25 3.64 -1.42 0.05 116.57 121.41 2mgg h LYS 62 Ca 0.17 -0.26 -0.08 0.00 -1.27 0.00 0.00 60.65 59.21 2mgg h LYS 62 Cb 0.41 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 2mgg h LYS 62 CO 0.01 0.94 0.02 0.87 -2.27 0.00 0.00 179.45 179.03 2mgg h LYS 63 N 0.98 0.91 -0.66 1.90 1.57 -1.10 -1.90 116.57 118.27 2mgg h LYS 63 Ca 0.20 -0.28 0.04 0.00 -1.87 0.00 0.00 60.65 58.74 2mgg h LYS 63 Cb 0.39 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.57 2mgg h LYS 63 CO 0.01 0.92 0.40 0.37 -0.57 0.00 0.00 179.45 180.58 2mgg h GLN 64 N 0.78 0.75 -0.87 3.15 5.75 -0.31 -1.29 115.11 123.07 2mgg h GLN 64 Ca 0.15 -0.05 0.04 0.00 -0.15 0.00 0.00 58.65 58.65 2mgg h GLN 64 Cb 0.49 -0.17 -0.05 0.00 1.07 0.00 0.00 27.48 28.82 2mgg h GLN 64 CO 0.02 0.50 0.56 0.78 -2.65 0.00 0.00 178.83 178.04 2mgg h GLY 65 N 0.77 1.28 1.09 2.39 0.00 -0.28 -0.61 103.07 107.71 2mgg h GLY 65 Ca 0.28 -0.42 -0.07 0.00 0.00 0.00 0.00 47.33 47.11 2mgg h GLY 65 CO -0.13 0.34 0.14 -2.08 0.00 0.00 0.00 176.54 174.82 2mgg h VAL 66 N 1.07 1.26 -0.76 4.60 2.07 -0.77 -1.22 116.25 122.50 2mgg h VAL 66 Ca 0.36 -1.00 -0.04 0.00 0.82 0.00 0.00 66.70 66.83 2mgg h VAL 66 Cb 0.05 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.36 2mgg h VAL 66 CO -0.13 0.38 0.30 0.74 0.02 0.00 0.00 177.57 178.88 2mgg h THR 67 N 1.05 1.26 -0.17 2.57 2.02 -0.82 -0.55 112.91 118.27 2mgg h THR 67 Ca 0.21 -0.81 -0.10 0.00 0.77 0.00 0.00 66.41 66.48 2mgg h THR 67 Cb 0.40 0.36 -0.00 0.00 -1.74 0.00 0.00 68.15 67.17 2mgg h THR 67 CO 0.01 0.33 -0.27 0.58 0.37 0.00 0.00 175.52 176.54 2mgg h VAL 68 N 1.10 1.35 -0.02 3.16 2.07 -0.91 -2.39 116.25 120.61 2mgg h VAL 68 Ca 0.25 -1.49 -0.14 0.00 0.82 0.00 0.00 66.70 66.15 2mgg h VAL 68 Cb 0.22 1.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 2mgg h VAL 68 CO -0.02 0.45 -0.63 -0.07 0.02 0.00 0.00 177.57 177.33 2mgg h LEU 69 N 0.13 0.08 -0.41 2.57 3.38 -1.14 -1.16 115.31 118.76 2mgg h LEU 69 Ca 0.02 -0.05 -0.17 0.00 0.09 0.00 0.00 57.88 57.77 2mgg h LEU 69 Cb 0.85 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 2mgg h LEU 69 CO 0.06 0.68 -0.47 0.74 0.09 0.00 0.00 178.44 179.55 2mgg h THR 70 N 0.05 1.28 0.00 0.22 2.02 -1.08 0.48 112.91 115.88 2mgg h THR 70 Ca -0.01 -1.65 -0.12 0.00 0.77 0.00 0.00 66.41 65.40 2mgg h THR 70 Cb 1.11 1.54 -0.02 0.00 -1.74 0.00 0.00 68.15 69.04 2mgg h THR 70 CO 0.09 0.54 -0.59 0.00 0.37 0.00 0.00 175.52 175.92 2mgg h ALA 71 N 0.81 0.96 0.02 6.16 0.00 -1.24 -2.19 119.26 123.79 2mgg h ALA 71 Ca 0.04 -0.54 -0.21 0.00 0.00 0.00 0.00 54.91 54.20 2mgg h ALA 71 Cb 1.05 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 2mgg h ALA 71 CO 0.10 0.74 -0.95 1.25 0.00 0.00 0.00 179.25 180.40 2mgg h LEU 72 N 0.00 0.20 -0.86 0.00 5.85 -1.06 -2.36 115.31 117.07 2mgg h LEU 72 Ca -0.01 -0.18 -0.11 0.00 0.84 0.00 0.00 57.88 58.42 2mgg h LEU 72 Cb 1.09 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 2mgg h LEU 72 CO 0.08 1.03 -0.41 1.23 -0.34 0.00 0.00 178.44 180.03 2mgg h GLY 73 N 2.12 0.35 2.00 3.75 0.00 -0.71 -0.77 103.07 109.80 2mgg h GLY 73 Ca -0.05 -0.34 -0.09 0.00 0.00 0.00 0.00 47.33 46.85 2mgg h GLY 73 CO 0.14 0.31 -0.45 0.00 0.00 0.00 0.00 176.54 176.54 2mgg h ALA 74 N 1.30 1.07 0.07 3.60 0.00 -0.90 -1.21 119.26 123.18 2mgg h ALA 74 Ca 0.02 -0.41 -0.27 0.00 0.00 0.00 0.00 54.91 54.25 2mgg h ALA 74 Cb 0.85 -0.07 0.03 0.00 0.00 0.00 0.00 17.79 18.59 2mgg h ALA 74 CO 0.07 0.56 -1.10 0.82 0.00 0.00 0.00 179.25 179.59 2mgg h ILE 75 N 0.00 1.30 -0.24 0.00 2.04 -0.86 -3.08 117.51 116.66 2mgg h ILE 75 Ca -0.00 -2.35 -0.11 0.00 1.00 0.00 0.00 64.86 63.40 2mgg h ILE 75 Cb 0.90 2.59 -0.01 0.00 -0.74 0.00 0.00 36.82 39.56 2mgg h ILE 75 CO 0.06 0.72 -0.32 -0.07 0.00 0.00 0.00 178.15 178.54 2mgg h LEU 76 N 0.26 0.52 -1.33 1.44 3.38 -0.77 -1.98 115.31 116.83 2mgg h LEU 76 Ca -0.16 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.61 2mgg h LEU 76 Cb 1.78 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.39 2mgg h LEU 76 CO 0.21 0.81 0.00 0.11 0.09 0.00 0.00 178.44 179.66 2mgg h LYS 77 N 0.43 0.00 0.00 1.13 1.57 -1.15 -1.31 116.57 117.25 2mgg h LYS 77 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2mgg h LYS 77 Cb 0.77 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.08 2mgg h LYS 77 CO 0.06 0.00 0.00 0.87 -0.57 0.00 0.00 179.45 179.81 2mgg h LYS 78 N 0.00 0.00 -5.87 3.15 1.79 -1.30 -3.48 116.57 110.87 2mgg h LYS 78 Ca 0.00 0.00 -0.39 0.00 -2.18 0.00 0.00 60.65 58.08 2mgg h LYS 78 Cb 0.31 0.00 0.12 0.00 -1.58 0.00 0.00 32.23 31.08 2mgg h LYS 78 CO 0.00 0.00 -0.72 1.63 -1.08 0.00 0.00 179.45 179.28 2mgg n LYS 79 N -2.68 -7.19 0.00 3.15 5.02 -0.49 -1.19 118.16 114.78 2mgg n LYS 79 Ca 0.03 0.80 0.00 0.00 -2.02 0.00 0.00 58.31 57.11 2mgg n LYS 79 Cb 0.37 -5.80 0.00 0.00 -0.02 0.00 0.00 35.03 29.58 2mgg n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2mgg n GLY 80 N -1.73 3.30 2.85 0.72 0.00 -1.26 -4.95 105.19 104.12 2mgg n GLY 80 Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 2mgg n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2mgg n HIS 81 N -1.83 2.57 -0.68 1.61 8.25 -0.34 -4.64 115.22 120.16 2mgg n HIS 81 Ca 0.00 -2.67 0.07 0.00 -0.26 0.00 0.00 57.72 54.86 2mgg n HIS 81 Cb 0.00 -1.55 0.11 0.00 1.12 0.00 0.00 29.99 29.67 2mgg n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2mgg n HIS 82 N 2.07 0.12 -0.23 4.41 1.44 -1.26 -4.74 115.22 117.03 2mgg n HIS 82 Ca 0.38 -0.80 -0.06 0.00 -2.01 0.00 0.00 57.72 55.22 2mgg n HIS 82 Cb 0.32 -0.13 -0.01 0.00 0.12 0.00 0.00 29.99 30.30 2mgg n HIS 82 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 2mgg h GLU 83 N 0.30 -0.16 -0.12 -1.40 3.07 -1.99 -0.41 114.58 113.87 2mgg h GLU 83 Ca 0.00 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 2mgg h GLU 83 Cb 0.88 0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.81 2mgg h GLU 83 CO 0.02 -0.10 0.08 0.00 -1.40 0.00 0.00 179.01 177.61 2mgg h ALA 84 N 0.90 0.16 -0.01 3.43 0.00 -2.00 -2.63 119.26 119.11 2mgg h ALA 84 Ca 0.23 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.12 2mgg h ALA 84 Cb 0.56 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 2mgg h ALA 84 CO -0.73 -0.35 0.01 0.93 0.00 0.00 0.00 179.25 179.11 2mgg h GLU 85 N 0.15 0.00 0.00 0.00 3.07 -1.75 -3.23 114.58 112.82 2mgg h GLU 85 Ca 0.04 0.00 -0.20 0.00 -0.50 0.00 0.00 59.36 58.70 2mgg h GLU 85 Cb -0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 27.88 2mgg h GLU 85 CO -0.01 0.00 -1.04 -0.07 -1.40 0.00 0.00 179.01 176.49 2mgg h LEU 86 N 0.00 0.00 0.05 1.33 4.07 -0.74 -3.35 115.31 116.67 2mgg h LEU 86 Ca 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.96 2mgg h LEU 86 Cb 0.02 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.75 2mgg h LEU 86 CO -0.00 0.91 -0.09 0.11 -1.08 0.00 0.00 178.44 178.29 2mgg h LYS 87 N 0.00 -0.14 -0.92 1.13 1.57 -1.51 0.02 116.57 116.73 2mgg h LYS 87 Ca -0.06 0.01 0.18 0.00 -1.87 0.00 0.00 60.65 58.91 2mgg h LYS 87 Cb 1.74 0.03 -0.11 0.00 0.08 0.00 0.00 32.23 33.98 2mgg h LYS 87 CO 0.11 -0.09 0.49 -1.00 -0.57 0.00 0.00 179.45 178.39 2mgg h PRO 88 N -0.15 0.60 -0.45 3.15 0.13 -1.77 -1.75 132.00 131.76 2mgg h PRO 88 Ca -0.01 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 65.08 2mgg h PRO 88 Cb 0.14 -0.14 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 2mgg h PRO 88 CO -0.03 0.40 0.24 1.25 -0.23 0.00 0.00 178.00 179.64 2mgg h LEU 89 N 0.62 0.56 -0.97 1.56 5.85 -1.67 -2.13 115.31 119.14 2mgg h LEU 89 Ca 0.53 -0.09 -0.10 0.00 0.84 0.00 0.00 57.88 59.06 2mgg h LEU 89 Cb 0.84 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 2mgg h LEU 89 CO -0.41 0.50 -0.36 0.00 -0.34 0.00 0.00 178.44 177.83 2mgg h ALA 90 N 1.09 1.13 -0.41 1.25 0.00 -0.84 -1.95 119.26 119.53 2mgg h ALA 90 Ca 0.16 -0.38 -0.09 0.00 0.00 0.00 0.00 54.91 54.59 2mgg h ALA 90 Cb 0.06 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2mgg h ALA 90 CO -0.02 0.56 -0.11 0.37 0.00 0.00 0.00 179.25 180.05 2mgg h GLN 91 N 0.26 0.80 0.00 0.00 4.15 -1.09 -0.84 115.11 118.40 2mgg h GLN 91 Ca 0.03 -0.31 -0.17 0.00 0.77 0.00 0.00 58.65 58.97 2mgg h GLN 91 Cb 0.75 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.38 2mgg h GLN 91 CO 0.06 0.93 -0.79 0.66 -1.93 0.00 0.00 178.83 177.76 2mgg h SER 92 N 0.62 0.00 1.46 -0.69 4.64 -1.33 -1.08 113.55 117.17 2mgg h SER 92 Ca 0.10 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.35 2mgg h SER 92 Cb 0.64 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.72 2mgg h SER 92 CO 0.04 0.79 -0.37 0.45 -0.87 0.00 0.00 176.83 176.88 2mgg h HIS 93 N 0.00 0.00 0.02 4.77 3.86 -1.25 -0.73 115.15 121.83 2mgg h HIS 93 Ca -0.01 0.00 -0.31 0.00 -1.16 0.00 0.00 60.37 58.89 2mgg h HIS 93 Cb 1.43 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 29.85 2mgg h HIS 93 CO 0.00 0.37 -1.81 0.00 0.86 0.00 0.00 177.93 177.35 2mgg n ALA 94 N -2.21 1.38 -0.09 2.45 0.00 -0.33 -0.88 120.51 120.83 2mgg n ALA 94 Ca 0.02 -0.76 -0.12 0.00 0.00 0.00 0.00 53.44 52.58 2mgg n ALA 94 Cb 0.64 -0.78 -0.10 0.00 0.00 0.00 0.00 19.45 19.22 2mgg n ALA 94 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2mgg n THR 95 N -3.11 1.09 -0.11 0.00 -1.04 -0.41 -4.10 114.28 106.58 2mgg n THR 95 Ca -0.21 -0.47 -0.21 0.00 -2.04 0.00 0.00 64.05 61.12 2mgg n THR 95 Cb 1.06 -1.04 -0.08 0.00 -1.82 0.00 0.00 70.33 68.45 2mgg n THR 95 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2mgg n LYS 96 N -2.94 0.56 0.10 -2.82 4.81 -0.41 -4.70 118.16 112.77 2mgg n LYS 96 Ca -0.32 0.34 -0.18 0.00 -0.87 0.00 0.00 58.31 57.28 2mgg n LYS 96 Cb 0.89 -1.55 -0.14 0.00 0.02 0.00 0.00 35.03 34.25 2mgg n LYS 96 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2mgg h HIS 97 N -1.00 0.58 -4.46 5.64 -0.00 -1.41 -3.49 115.15 111.02 2mgg h HIS 97 Ca -0.41 -0.43 -0.07 0.00 -0.00 0.00 0.00 60.37 59.46 2mgg h HIS 97 Cb 1.30 -0.02 0.06 0.00 -0.00 0.00 0.00 27.41 28.75 2mgg h HIS 97 CO -0.14 1.37 -0.26 1.63 -0.00 0.00 0.00 177.93 180.53 2mgg n LYS 98 N -3.55 -1.08 -3.50 2.45 5.02 -0.55 -4.99 118.16 111.97 2mgg n LYS 98 Ca -0.12 0.82 -0.42 0.00 -2.02 0.00 0.00 58.31 56.56 2mgg n LYS 98 Cb 1.05 -4.10 -0.10 0.00 -0.02 0.00 0.00 35.03 31.86 2mgg n LYS 98 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2mgg s ILE 99 N -3.12 4.89 0.74 -0.18 -1.09 -0.06 -5.03 121.20 117.36 2mgg s ILE 99 Ca 0.14 -0.98 -0.15 0.00 -2.23 0.00 0.00 60.65 57.43 2mgg s ILE 99 Cb -0.02 -3.84 0.04 0.00 -1.58 0.00 0.00 42.46 37.07 2mgg s ILE 99 CO 0.45 -0.41 1.23 -2.16 -1.23 0.00 0.00 174.94 172.82 2mgg s PRO 100 N 1.59 2.04 0.52 2.79 0.04 -1.26 -4.83 135.00 135.90 2mgg s PRO 100 Ca 0.04 1.85 0.18 0.00 0.04 0.00 0.00 61.00 63.10 2mgg s PRO 100 Cb -0.21 -1.81 1.31 0.00 0.04 0.00 0.00 34.50 33.82 2mgg s PRO 100 CO 0.07 -1.93 2.12 0.82 0.04 0.00 0.00 177.00 178.12 2mgg h ILE 101 N -0.31 0.93 -0.01 0.56 1.08 -1.98 0.28 117.51 118.07 2mgg h ILE 101 Ca -0.48 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 63.96 2mgg h ILE 101 Cb 1.31 0.94 -0.01 0.00 -3.07 0.00 0.00 36.82 35.99 2mgg h ILE 101 CO 0.49 0.00 -0.15 0.50 -0.69 0.00 0.00 178.15 178.31 2mgg h LYS 102 N 0.00 0.02 -0.08 2.37 1.63 -1.95 -1.23 116.57 117.34 2mgg h LYS 102 Ca 0.06 -0.00 -0.17 0.00 -0.85 0.00 0.00 60.65 59.68 2mgg h LYS 102 Cb 0.23 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.85 2mgg h LYS 102 CO -0.00 0.17 -0.69 1.88 -3.45 0.00 0.00 179.45 177.35 2mgg h TYR 103 N 0.02 0.49 -0.11 1.91 -1.99 -1.29 -1.68 116.97 114.32 2mgg h TYR 103 Ca 0.00 -0.21 -0.08 0.00 2.00 0.00 0.00 58.73 60.45 2mgg h TYR 103 Cb 0.27 -0.08 -0.01 0.00 2.00 0.00 0.00 36.73 38.91 2mgg h TYR 103 CO 0.00 0.94 -0.28 -0.07 -0.00 0.00 0.00 178.16 178.76 2mgg h LEU 104 N 0.26 0.20 -0.50 3.88 3.38 -1.18 -2.16 115.31 119.18 2mgg h LEU 104 Ca -0.02 -0.06 -0.09 0.00 0.09 0.00 0.00 57.88 57.80 2mgg h LEU 104 Cb 1.25 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 2mgg h LEU 104 CO 0.12 0.48 -0.03 -0.33 0.09 0.00 0.00 178.44 178.77 2mgg h GLU 105 N 0.18 0.90 -0.36 1.13 5.08 -0.82 -2.43 114.58 118.26 2mgg h GLU 105 Ca 0.03 -0.30 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 2mgg h GLU 105 Cb 0.59 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 2mgg h GLU 105 CO 0.04 0.95 0.23 0.74 -1.00 0.00 0.00 179.01 179.97 2mgg h PHE 106 N 0.77 0.45 0.00 4.33 0.04 -1.11 -1.43 116.94 120.00 2mgg h PHE 106 Ca 0.14 0.01 -0.07 0.00 2.80 0.00 0.00 57.97 60.85 2mgg h PHE 106 Cb 0.56 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.55 2mgg h PHE 106 CO 0.04 0.30 -0.32 0.97 -0.60 0.00 0.00 178.31 178.70 2mgg h ILE 107 N 0.48 0.85 -0.67 -0.55 2.10 -1.43 -1.32 117.51 116.96 2mgg h ILE 107 Ca 0.13 -1.29 -0.07 0.00 1.08 0.00 0.00 64.86 64.71 2mgg h ILE 107 Cb -0.04 1.79 -0.03 0.00 -1.09 0.00 0.00 36.82 37.45 2mgg h ILE 107 CO -0.03 0.31 0.15 0.28 -1.08 0.00 0.00 178.15 177.79 2mgg h SER 108 N 0.00 1.01 -0.58 2.19 0.02 -0.84 0.10 113.55 115.45 2mgg h SER 108 Ca -0.00 -0.21 -0.09 0.00 -0.84 0.00 0.00 61.79 60.65 2mgg h SER 108 Cb 0.76 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 63.01 2mgg h SER 108 CO 0.04 0.98 0.03 -0.08 -1.14 0.00 0.00 176.83 176.66 2mgg h GLU 109 N 1.01 1.03 -0.28 3.45 4.81 -0.82 -1.43 114.58 122.35 2mgg h GLU 109 Ca 0.21 -0.30 -0.12 0.00 -0.13 0.00 0.00 59.36 59.02 2mgg h GLU 109 Cb 0.37 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 2mgg h GLU 109 CO 0.00 0.98 -0.34 0.00 -0.73 0.00 0.00 179.01 178.93 2mgg h ALA 110 N 1.08 0.88 -0.18 2.92 0.00 -0.28 -1.39 119.26 122.29 2mgg h ALA 110 Ca 0.18 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 2mgg h ALA 110 Cb 0.50 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2mgg h ALA 110 CO 0.02 0.63 0.04 0.82 0.00 0.00 0.00 179.25 180.76 2mgg h ILE 111 N 0.52 1.21 -0.23 0.00 2.04 -0.54 -1.68 117.51 118.83 2mgg h ILE 111 Ca 0.06 -0.66 -0.04 0.00 1.00 0.00 0.00 64.86 65.22 2mgg h ILE 111 Cb 0.83 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 38.20 2mgg h ILE 111 CO 0.07 0.20 -0.03 0.40 0.00 0.00 0.00 178.15 178.79 2mgg h ILE 112 N 0.10 1.16 -0.21 -0.67 2.04 -1.13 -0.84 117.51 117.96 2mgg h ILE 112 Ca 0.06 -0.65 -0.06 0.00 1.00 0.00 0.00 64.86 65.21 2mgg h ILE 112 Cb 0.27 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 2mgg h ILE 112 CO 0.00 0.21 -0.09 -0.74 0.00 0.00 0.00 178.15 177.53 2mgg h HIS 113 N 0.33 0.49 -0.30 1.37 2.76 -1.05 -1.11 115.15 117.63 2mgg h HIS 113 Ca 0.07 -0.12 -0.10 0.00 -2.20 0.00 0.00 60.37 58.02 2mgg h HIS 113 Cb 0.28 -0.11 -0.01 0.00 1.55 0.00 0.00 27.41 29.12 2mgg h HIS 113 CO 0.01 0.71 -0.22 0.28 -1.30 0.00 0.00 177.93 177.41 2mgg h VAL 114 N 0.13 1.30 -0.64 5.26 2.07 -0.98 -1.49 116.25 121.89 2mgg h VAL 114 Ca 0.05 -1.36 -0.01 0.00 0.82 0.00 0.00 66.70 66.20 2mgg h VAL 114 Cb 0.58 1.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.83 2mgg h VAL 114 CO 0.03 0.44 0.37 -0.07 0.02 0.00 0.00 177.57 178.36 2mgg h LEU 115 N 0.44 0.78 -0.73 2.57 3.38 -1.09 0.17 115.31 120.82 2mgg h LEU 115 Ca 0.06 -0.07 0.06 0.00 0.09 0.00 0.00 57.88 58.02 2mgg h LEU 115 Cb 0.77 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 41.26 2mgg h LEU 115 CO 0.06 0.63 0.42 -0.74 0.09 0.00 0.00 178.44 178.90 2mgg h HIS 116 N 0.87 0.77 0.02 1.13 2.76 -1.05 0.14 115.15 119.79 2mgg h HIS 116 Ca 0.23 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.42 2mgg h HIS 116 Cb 0.00 -0.24 0.00 0.00 1.55 0.00 0.00 27.41 28.72 2mgg h HIS 116 CO -0.01 0.37 -0.01 0.77 -1.30 0.00 0.00 177.93 177.74 2mgg h SER 117 N 0.76 -0.03 1.75 3.26 0.02 -0.73 -3.26 113.55 115.33 2mgg h SER 117 Ca 0.33 -0.33 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2mgg h SER 117 Cb 0.21 0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.75 2mgg h SER 117 CO -0.19 0.32 -0.22 0.03 -1.14 0.00 0.00 176.83 175.63 2mgg h ARG 118 N -0.38 0.00 -1.05 3.45 3.08 -0.91 -3.39 114.38 115.18 2mgg h ARG 118 Ca -0.00 0.00 -0.44 0.00 0.07 0.00 0.00 59.98 59.61 2mgg h ARG 118 Cb 0.36 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.00 2mgg h ARG 118 CO 0.01 0.00 -0.99 0.72 -1.07 0.00 0.00 179.97 178.64 2mgg n HIS 119 N -2.96 2.11 -0.30 3.04 8.25 0.47 -4.93 115.22 120.90 2mgg n HIS 119 Ca 0.03 -2.72 0.11 0.00 -0.26 0.00 0.00 57.72 54.88 2mgg n HIS 119 Cb 0.53 -0.25 0.27 0.00 1.12 0.00 0.00 29.99 31.66 2mgg n HIS 119 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2mgg h PRO 120 N 2.70 0.44 0.00 -0.41 0.13 -1.71 -0.08 132.00 133.07 2mgg h PRO 120 Ca 0.08 -0.03 -0.05 0.00 -0.87 0.00 0.00 66.00 65.14 2mgg h PRO 120 Cb 1.16 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 2mgg h PRO 120 CO 0.60 0.29 -0.23 0.78 -0.23 0.00 0.00 178.00 179.21 2mgg h GLY 121 N 0.46 0.00 -1.41 1.56 0.00 -1.92 -3.07 103.07 98.69 2mgg h GLY 121 Ca 0.52 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.85 2mgg h GLY 121 CO -0.48 0.00 0.00 0.70 0.00 0.00 0.00 176.54 176.76 2mgg n ASN 122 N -3.74 3.65 -2.99 0.19 3.02 -0.50 -4.73 115.26 110.16 2mgg n ASN 122 Ca -0.01 -2.92 -0.14 0.00 -0.03 0.00 0.00 54.58 51.47 2mgg n ASN 122 Cb 0.34 -0.50 0.00 0.00 -0.61 0.00 0.00 39.78 39.01 2mgg n ASN 122 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 2mgg n PHE 123 N -0.50 0.12 -0.36 3.10 7.35 -0.16 -4.67 117.46 122.34 2mgg n PHE 123 Ca 0.20 -3.34 0.00 0.00 -0.76 0.00 0.00 57.45 53.55 2mgg n PHE 123 Cb 0.82 -0.18 0.00 0.00 0.35 0.00 0.00 39.48 40.47 2mgg n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2mgg n GLY 124 N 0.16 -1.70 0.25 7.13 0.00 -1.26 -4.64 105.19 105.14 2mgg n GLY 124 Ca 0.18 -1.52 -0.08 0.00 0.00 0.00 0.00 46.02 44.59 2mgg n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2mgg h ALA 125 N -2.00 0.82 -0.14 4.61 0.00 -1.98 -0.27 119.26 120.30 2mgg h ALA 125 Ca 0.00 -0.41 -0.20 0.00 0.00 0.00 0.00 54.91 54.30 2mgg h ALA 125 Cb 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2mgg h ALA 125 CO 0.00 0.64 -0.73 -0.44 0.00 0.00 0.00 179.25 178.73 2mgg h ASP 126 N 0.62 0.76 0.06 0.00 3.32 -1.99 -0.04 116.42 119.15 2mgg h ASP 126 Ca 0.07 -0.48 -0.10 0.00 0.02 0.00 0.00 57.03 56.54 2mgg h ASP 126 Cb 0.83 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.14 2mgg h ASP 126 CO 0.07 1.25 -0.32 0.00 -1.72 0.00 0.00 179.24 178.52 2mgg h ALA 127 N 0.74 1.10 -0.22 3.45 0.00 -1.74 -0.64 119.26 121.94 2mgg h ALA 127 Ca -0.04 -0.37 -0.19 0.00 0.00 0.00 0.00 54.91 54.31 2mgg h ALA 127 Cb 1.33 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2mgg h ALA 127 CO 0.14 0.57 -0.62 0.37 0.00 0.00 0.00 179.25 179.71 2mgg h GLN 128 N 0.33 0.76 -0.72 0.00 4.15 -0.86 -0.00 115.11 118.77 2mgg h GLN 128 Ca 0.04 -0.53 -0.04 0.00 0.77 0.00 0.00 58.65 58.90 2mgg h GLN 128 Cb 0.74 0.08 -0.03 0.00 0.21 0.00 0.00 27.48 28.47 2mgg h GLN 128 CO 0.06 1.15 0.31 0.78 -1.93 0.00 0.00 178.83 179.19 2mgg h GLY 129 N 0.78 1.14 0.97 2.39 0.00 -0.69 0.11 103.07 107.77 2mgg h GLY 129 Ca -0.01 -0.60 -0.06 0.00 0.00 0.00 0.00 47.33 46.66 2mgg h GLY 129 CO 0.13 0.57 0.08 0.00 0.00 0.00 0.00 176.54 177.32 2mgg h ALA 130 N 1.15 0.63 -0.61 3.60 0.00 -0.84 -1.50 119.26 121.68 2mgg h ALA 130 Ca 0.24 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.93 2mgg h ALA 130 Cb 0.18 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 2mgg h ALA 130 CO -0.02 0.36 0.40 1.98 0.00 0.00 0.00 179.25 181.97 2mgg h MET 131 N 0.66 0.79 -0.59 0.00 -1.53 -0.70 -0.39 114.93 113.18 2mgg h MET 131 Ca 0.14 -0.05 -0.01 0.00 -3.44 0.00 0.00 59.70 56.35 2mgg h MET 131 Cb 0.39 -0.18 -0.03 0.00 -0.55 0.00 0.00 31.60 31.23 2mgg h MET 131 CO 0.01 0.53 0.34 -0.97 0.14 0.00 0.00 176.91 176.95 2mgg h ASN 132 N 0.82 0.72 -0.92 1.39 -1.24 -0.94 -0.29 115.58 115.11 2mgg h ASN 132 Ca 0.23 -0.07 0.03 0.00 0.71 0.00 0.00 56.30 57.19 2mgg h ASN 132 Cb -0.08 -0.18 -0.05 0.00 0.73 0.00 0.00 38.32 38.74 2mgg h ASN 132 CO -0.05 0.58 0.60 0.50 -1.29 0.00 0.00 177.43 177.77 2mgg h LYS 133 N 0.79 1.15 -0.09 6.67 3.64 -0.91 0.51 116.57 128.33 2mgg h LYS 133 Ca 0.21 -0.07 -0.12 0.00 -1.27 0.00 0.00 60.65 59.39 2mgg h LYS 133 Cb 0.01 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 31.56 2mgg h LYS 133 CO -0.04 0.76 -0.50 0.00 -2.27 0.00 0.00 179.45 177.41 2mgg h ALA 134 N 1.36 0.99 0.03 5.00 0.00 -0.46 -0.68 119.26 125.51 2mgg h ALA 134 Ca 0.35 -0.47 -0.23 0.00 0.00 0.00 0.00 54.91 54.56 2mgg h ALA 134 Cb -0.05 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 2mgg h ALA 134 CO -0.10 0.65 -1.00 -0.07 0.00 0.00 0.00 179.25 178.73 2mgg h LEU 135 N 0.19 0.41 -0.76 0.00 3.38 -0.81 -1.18 115.31 116.54 2mgg h LEU 135 Ca 0.01 -0.36 -0.09 0.00 0.09 0.00 0.00 57.88 57.53 2mgg h LEU 135 Cb 0.95 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 2mgg h LEU 135 CO 0.08 1.19 -0.02 -0.33 0.09 0.00 0.00 178.44 179.44 2mgg h GLU 136 N 0.15 0.92 -0.60 1.13 5.08 -0.66 0.67 114.58 121.27 2mgg h GLU 136 Ca -0.08 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 57.99 2mgg h GLU 136 Cb 1.66 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.79 2mgg h GLU 136 CO 0.16 0.92 0.32 1.25 -1.00 0.00 0.00 179.01 180.67 2mgg h LEU 137 N 0.84 0.75 -0.63 1.33 5.85 -0.89 0.12 115.31 122.68 2mgg h LEU 137 Ca 0.15 -0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 2mgg h LEU 137 Cb 0.53 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 2mgg h LEU 137 CO 0.03 0.63 0.25 0.15 -0.34 0.00 0.00 178.44 179.16 2mgg h PHE 138 N 0.81 0.95 -0.49 1.25 3.57 -0.86 -1.07 116.94 121.11 2mgg h PHE 138 Ca 0.21 -0.07 -0.11 0.00 3.53 0.00 0.00 57.97 61.53 2mgg h PHE 138 Cb 0.05 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.49 2mgg h PHE 138 CO -0.01 0.75 -0.13 0.00 -2.23 0.00 0.00 178.31 176.69 2mgg h ARG 139 N 0.88 0.92 -0.57 1.11 3.08 -0.53 -1.14 114.38 118.13 2mgg h ARG 139 Ca 0.21 -0.34 -0.10 0.00 0.07 0.00 0.00 59.98 59.82 2mgg h ARG 139 Cb 0.20 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 2mgg h ARG 139 CO -0.02 1.00 -0.03 -0.22 -1.07 0.00 0.00 179.97 179.62 2mgg h LYS 140 N 0.82 1.02 -0.08 0.04 3.64 -0.38 -0.41 116.57 121.22 2mgg h LYS 140 Ca 0.13 -0.34 -0.17 0.00 -1.27 0.00 0.00 60.65 59.00 2mgg h LYS 140 Cb 0.67 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.39 2mgg h LYS 140 CO 0.05 1.02 -0.68 -0.44 -2.27 0.00 0.00 179.45 177.14 2mgg h ASP 141 N 0.93 0.42 -0.34 4.20 5.19 -0.95 -1.93 116.42 123.93 2mgg h ASP 141 Ca 0.16 -0.26 -0.13 0.00 -0.62 0.00 0.00 57.03 56.18 2mgg h ASP 141 Cb 0.59 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 39.96 2mgg h ASP 141 CO 0.04 0.97 -0.28 0.40 -3.12 0.00 0.00 179.24 177.25 2mgg h ILE 142 N 0.25 1.27 -0.57 0.35 1.08 -1.18 -1.61 117.51 117.11 2mgg h ILE 142 Ca -0.02 -1.43 -0.06 0.00 -0.39 0.00 0.00 64.86 62.96 2mgg h ILE 142 Cb 1.23 1.26 -0.03 0.00 -3.07 0.00 0.00 36.82 36.21 2mgg h ILE 142 CO 0.11 0.48 0.12 0.00 -0.69 0.00 0.00 178.15 178.17 2mgg h ALA 143 N 0.95 1.12 -0.18 1.87 0.00 -0.83 0.18 119.26 122.37 2mgg h ALA 143 Ca 0.09 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 2mgg h ALA 143 Cb 0.83 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2mgg h ALA 143 CO 0.07 0.58 -0.32 0.00 0.00 0.00 0.00 179.25 179.58 2mgg h ALA 144 N 1.26 1.12 -0.10 0.00 0.00 -1.08 -1.80 119.26 118.66 2mgg h ALA 144 Ca 0.18 -0.37 -0.19 0.00 0.00 0.00 0.00 54.91 54.54 2mgg h ALA 144 Cb 0.35 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2mgg h ALA 144 CO 0.00 0.56 -0.71 0.87 0.00 0.00 0.00 179.25 179.97 2mgg h LYS 145 N 0.31 0.46 -0.53 0.00 6.56 -0.55 -2.44 116.57 120.39 2mgg h LYS 145 Ca 0.04 -0.37 0.04 0.00 -1.06 0.00 0.00 60.65 59.30 2mgg h LYS 145 Cb 0.73 0.07 -0.04 0.00 -0.57 0.00 0.00 32.23 32.42 2mgg h LYS 145 CO 0.06 1.00 0.29 1.88 -2.06 0.00 0.00 179.45 180.61 2mgg h TYR 146 N 0.32 0.53 -0.99 -1.35 -1.99 0.07 -0.74 116.97 112.83 2mgg h TYR 146 Ca -0.03 0.02 0.01 0.00 2.00 0.00 0.00 58.73 60.73 2mgg h TYR 146 Cb 1.29 -0.16 -0.05 0.00 2.00 0.00 0.00 36.73 39.81 2mgg h TYR 146 CO 0.05 0.27 0.65 -0.22 -0.00 0.00 0.00 178.16 178.91 2mgg h LYS 147 N 0.56 1.30 -0.29 4.88 3.64 -1.03 0.15 116.57 125.79 2mgg h LYS 147 Ca 0.23 -0.08 -0.10 0.00 -1.27 0.00 0.00 60.65 59.43 2mgg h LYS 147 Cb 0.11 -0.29 -0.01 0.00 -0.41 0.00 0.00 32.23 31.62 2mgg h LYS 147 CO -0.14 0.86 -0.24 0.93 -2.27 0.00 0.00 179.45 178.59 2mgg h GLU 148 N 1.34 0.56 0.00 1.90 5.08 -0.93 -2.05 114.58 120.48 2mgg h GLU 148 Ca 0.36 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 2mgg h GLU 148 Cb -0.15 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.06 2mgg h GLU 148 CO -0.08 0.75 0.00 1.28 -1.00 0.00 0.00 179.01 179.97 2mgg n LEU 149 N -4.12 0.04 0.00 1.33 4.77 -0.34 -4.92 117.00 113.77 2mgg n LEU 149 Ca -0.00 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.48 2mgg n LEU 149 Cb 0.41 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 2mgg n LEU 149 CO 0.43 -0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 2mgg n GLY 150 N 1.12 0.98 3.30 -0.72 0.00 -0.57 -5.03 105.19 104.27 2mgg n GLY 150 Ca 0.06 -0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 2mgg n GLY 150 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2mgg s TYR 151 N -2.00 2.49 0.00 1.61 5.04 0.43 -4.99 117.35 119.93 2mgg s TYR 151 Ca 0.00 -0.64 0.00 0.00 -2.44 0.00 0.00 57.07 53.99 2mgg s TYR 151 Cb 0.00 -1.62 0.00 0.00 0.35 0.00 0.00 41.96 40.69 2mgg s TYR 151 CO 0.00 -0.16 0.00 0.94 -1.34 0.00 0.00 175.55 174.99 2mgg n GLN 152 N 2.90 0.00 0.00 4.97 7.27 -1.26 -3.49 117.38 127.77 2mgg n GLN 152 Ca -0.17 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.90 2mgg n GLN 152 Cb 0.52 -0.16 0.00 0.00 2.41 0.00 0.00 30.24 33.01 2mgg n GLN 152 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54