#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2mge s VAL 1 N 0.00 -0.33 0.45 3.17 1.01 -1.26 -5.06 120.40 118.38 2mge s VAL 1 Ca 0.00 0.19 -0.13 0.00 0.00 0.00 0.00 61.98 62.05 2mge s VAL 1 Cb 0.00 -0.51 -0.07 0.00 0.00 0.00 0.00 36.38 35.80 2mge s VAL 1 CO 0.00 0.08 0.85 -0.76 0.00 0.00 0.00 175.10 175.27 2mge s LEU 2 N 2.05 3.75 0.71 3.92 1.02 -1.26 -5.08 118.68 123.79 2mge s LEU 2 Ca -0.04 1.29 -0.08 0.00 0.02 0.00 0.00 54.13 55.33 2mge s LEU 2 Cb -0.11 -4.20 0.06 0.00 0.02 0.00 0.00 46.19 41.96 2mge s LEU 2 CO -0.10 -0.48 1.04 -0.94 0.02 0.00 0.00 176.35 175.89 2mge s SER 3 N -3.15 4.87 0.12 2.29 1.04 -1.26 -4.88 113.70 112.73 2mge s SER 3 Ca 0.54 0.59 -0.16 0.00 0.48 0.00 0.00 55.95 57.40 2mge s SER 3 Cb -0.10 -1.25 -0.03 0.00 0.10 0.00 0.00 66.02 64.75 2mge s SER 3 CO 0.32 -1.59 1.60 -0.08 0.98 0.00 0.00 173.24 174.47 2mge h GLU 4 N -0.65 0.62 -0.81 4.02 4.57 -1.99 -1.41 114.58 118.93 2mge h GLU 4 Ca -0.45 -0.16 0.17 0.00 -1.18 0.00 0.00 59.36 57.74 2mge h GLU 4 Cb 1.31 -0.07 -0.11 0.00 -0.16 0.00 0.00 28.75 29.72 2mge h GLU 4 CO 0.62 0.67 0.33 0.78 -1.18 0.00 0.00 179.01 180.23 2mge h GLY 5 N 0.46 1.27 0.91 1.92 0.00 -1.99 -0.59 103.07 105.05 2mge h GLY 5 Ca 0.11 -0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.27 2mge h GLY 5 CO 0.01 -0.15 0.10 0.83 0.00 0.00 0.00 176.54 177.33 2mge h GLU 6 N 0.44 0.44 -0.60 4.80 5.08 -1.80 -2.35 114.58 120.58 2mge h GLU 6 Ca 0.46 -0.09 0.02 0.00 -1.00 0.00 0.00 59.36 58.76 2mge h GLU 6 Cb 0.77 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.92 2mge h GLU 6 CO -0.45 0.48 0.40 -1.49 -1.00 0.00 0.00 179.01 176.94 2mge h TRP 7 N 0.31 0.70 -0.64 4.33 4.06 -0.95 -1.80 115.95 121.97 2mge h TRP 7 Ca 0.09 0.02 -0.08 0.00 2.06 0.00 0.00 58.89 60.98 2mge h TRP 7 Cb 0.21 -0.24 -0.02 0.00 -1.00 0.00 0.00 29.16 28.11 2mge h TRP 7 CO -0.00 0.42 0.10 1.96 -3.56 0.00 0.00 178.44 177.36 2mge h GLN 8 N 0.74 1.06 -0.49 0.49 1.08 -0.82 0.13 115.11 117.30 2mge h GLN 8 Ca 0.23 -0.29 -0.06 0.00 -1.45 0.00 0.00 58.65 57.09 2mge h GLN 8 Cb 0.02 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.31 2mge h GLN 8 CO -0.06 0.98 0.06 -0.07 -0.95 0.00 0.00 178.83 178.79 2mge h LEU 9 N 0.97 0.73 -0.15 1.46 3.38 -0.84 -0.81 115.31 120.05 2mge h LEU 9 Ca 0.19 -0.15 -0.14 0.00 0.09 0.00 0.00 57.88 57.87 2mge h LEU 9 Cb 0.44 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2mge h LEU 9 CO 0.01 0.76 -0.46 0.58 0.09 0.00 0.00 178.44 179.42 2mge h VAL 10 N 0.74 1.34 0.00 1.22 2.07 -1.03 -2.64 116.25 117.95 2mge h VAL 10 Ca 0.15 -1.74 0.00 0.00 0.82 0.00 0.00 66.70 65.94 2mge h VAL 10 Cb 0.36 2.03 0.00 0.00 -1.52 0.00 0.00 31.29 32.16 2mge h VAL 10 CO 0.01 0.53 0.00 -0.07 0.02 0.00 0.00 177.57 178.06 2mge h LEU 11 N 0.22 0.00 -0.01 2.57 3.38 -0.70 -1.57 115.31 119.20 2mge h LEU 11 Ca -0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 2mge h LEU 11 Cb 1.09 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 2mge h LEU 11 CO 0.10 0.00 -0.01 -0.74 0.09 0.00 0.00 178.44 177.88 2mge h HIS 12 N 0.00 0.03 -0.13 1.13 2.76 -0.91 -1.43 115.15 116.59 2mge h HIS 12 Ca 0.00 -0.01 -0.11 0.00 -2.20 0.00 0.00 60.37 58.06 2mge h HIS 12 Cb 0.87 -0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.81 2mge h HIS 12 CO 0.00 0.55 -0.39 -0.24 -1.30 0.00 0.00 177.93 176.55 2mge h VAL 13 N -0.51 1.30 -0.73 5.26 3.04 -1.41 -2.99 116.25 120.21 2mge h VAL 13 Ca 0.00 -1.48 0.02 0.00 -1.01 0.00 0.00 66.70 64.24 2mge h VAL 13 Cb 0.55 1.63 -0.04 0.00 -2.01 0.00 0.00 31.29 31.41 2mge h VAL 13 CO 0.00 0.45 0.49 -0.25 -1.01 0.00 0.00 177.57 177.24 2mge h TRP 14 N 0.25 0.89 0.00 3.17 2.91 -1.16 -0.53 115.95 121.48 2mge h TRP 14 Ca 0.03 0.02 -0.01 0.00 1.13 0.00 0.00 58.89 60.06 2mge h TRP 14 Cb 0.80 -0.30 -0.00 0.00 -0.51 0.00 0.00 29.16 29.14 2mge h TRP 14 CO 0.02 0.54 -0.04 0.00 -1.03 0.00 0.00 178.44 177.93 2mge h ALA 15 N 1.56 1.71 -0.02 2.65 0.00 -1.10 -0.41 119.26 123.64 2mge h ALA 15 Ca 0.28 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.98 2mge h ALA 15 Cb -0.03 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.77 2mge h ALA 15 CO -0.07 0.05 -0.66 0.87 0.00 0.00 0.00 179.25 179.45 2mge h LYS 16 N 0.00 0.48 -0.93 0.00 1.79 -1.16 -3.15 116.57 113.60 2mge h LYS 16 Ca -0.00 -0.49 0.11 0.00 -2.18 0.00 0.00 60.65 58.09 2mge h LYS 16 Cb 0.09 0.13 -0.08 0.00 -1.58 0.00 0.00 32.23 30.79 2mge h LYS 16 CO 0.01 1.13 0.56 0.28 -1.08 0.00 0.00 179.45 180.35 2mge h VAL 17 N 0.01 0.90 0.00 0.50 2.07 -0.71 -2.15 116.25 116.87 2mge h VAL 17 Ca -0.08 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.13 2mge h VAL 17 Cb 1.35 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 2mge h VAL 17 CO 0.13 0.16 0.00 -0.62 0.02 0.00 0.00 177.57 177.26 2mge n GLU 18 N -4.68 0.06 0.23 1.57 1.02 -0.22 -1.28 120.64 117.33 2mge n GLU 18 Ca 0.17 0.38 0.15 0.00 -0.02 0.00 0.00 57.16 57.84 2mge n GLU 18 Cb 0.33 -1.63 0.56 0.00 -0.02 0.00 0.00 31.44 30.68 2mge n GLU 18 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2mge h ALA 19 N 2.28 1.00 -1.58 0.62 0.00 -1.38 -3.37 119.26 116.83 2mge h ALA 19 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.57 2mge h ALA 19 Cb 0.19 0.00 -0.25 0.00 0.00 0.00 0.00 17.79 17.73 2mge h ALA 19 CO 0.00 0.00 -0.70 0.34 0.00 0.00 0.00 179.25 178.89 2mge s ASP 20 N -5.35 -0.23 0.18 0.00 2.15 -0.40 -5.02 116.67 108.01 2mge s ASP 20 Ca 0.03 -2.30 -0.04 0.00 0.43 0.00 0.00 52.55 50.67 2mge s ASP 20 Cb 0.09 0.90 0.09 0.00 -0.30 0.00 0.00 42.92 43.70 2mge s ASP 20 CO 0.53 -0.10 1.49 0.58 -0.17 0.00 0.00 175.17 177.49 2mge h VAL 21 N 4.84 1.32 -0.29 1.11 2.07 -1.72 -2.47 116.25 121.11 2mge h VAL 21 Ca 0.15 -1.83 -0.14 0.00 0.82 0.00 0.00 66.70 65.71 2mge h VAL 21 Cb 1.02 1.80 -0.01 0.00 -1.52 0.00 0.00 31.29 32.58 2mge h VAL 21 CO 0.16 0.57 -0.38 0.00 0.02 0.00 0.00 177.57 177.94 2mge h ALA 22 N 0.95 0.80 -0.37 1.67 0.00 -1.91 0.25 119.26 120.64 2mge h ALA 22 Ca 0.00 -0.43 -0.08 0.00 0.00 0.00 0.00 54.91 54.40 2mge h ALA 22 Cb 1.12 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 2mge h ALA 22 CO 0.11 0.65 -0.08 0.78 0.00 0.00 0.00 179.25 180.71 2mge h GLY 23 N 0.98 0.76 0.95 0.00 0.00 -1.93 -0.98 103.07 102.85 2mge h GLY 23 Ca 0.05 -0.62 -0.05 0.00 0.00 0.00 0.00 47.33 46.71 2mge h GLY 23 CO 0.08 0.57 0.09 0.45 0.00 0.00 0.00 176.54 177.72 2mge h HIS 24 N 0.51 0.73 -0.76 5.60 3.86 -1.21 -1.98 115.15 121.90 2mge h HIS 24 Ca 0.09 -0.09 0.04 0.00 -1.16 0.00 0.00 60.37 59.25 2mge h HIS 24 Cb 0.58 -0.20 -0.04 0.00 1.06 0.00 0.00 27.41 28.81 2mge h HIS 24 CO 0.05 0.70 0.50 0.78 0.86 0.00 0.00 177.93 180.81 2mge h GLY 25 N 0.55 1.05 0.55 2.45 0.00 -0.60 -1.46 103.07 105.61 2mge h GLY 25 Ca 0.13 -0.36 -0.00 0.00 0.00 0.00 0.00 47.33 47.10 2mge h GLY 25 CO 0.00 0.30 -0.05 1.46 0.00 0.00 0.00 176.54 178.26 2mge h GLN 26 N 0.90 -0.13 -0.70 4.80 4.20 -1.07 -2.13 115.11 120.97 2mge h GLN 26 Ca 0.31 0.01 0.13 0.00 0.06 0.00 0.00 58.65 59.15 2mge h GLN 26 Cb 0.09 0.03 -0.09 0.00 0.30 0.00 0.00 27.48 27.82 2mge h GLN 26 CO -0.09 0.28 0.27 -0.44 -0.67 0.00 0.00 178.83 178.18 2mge h ASP 27 N -0.59 0.24 -0.21 1.46 5.19 -1.22 -1.45 116.42 119.84 2mge h ASP 27 Ca -0.01 0.10 -0.04 0.00 -0.62 0.00 0.00 57.03 56.46 2mge h ASP 27 Cb 0.48 0.09 -0.01 0.00 0.18 0.00 0.00 39.33 40.06 2mge h ASP 27 CO 0.02 0.11 -0.03 0.40 -3.12 0.00 0.00 179.24 176.62 2mge h ILE 28 N 0.42 1.28 -0.42 0.35 2.04 -1.19 -1.28 117.51 118.71 2mge h ILE 28 Ca 0.38 -0.98 -0.10 0.00 1.00 0.00 0.00 64.86 65.16 2mge h ILE 28 Cb 0.54 1.50 -0.02 0.00 -0.74 0.00 0.00 36.82 38.11 2mge h ILE 28 CO -0.38 0.30 -0.13 -0.07 0.00 0.00 0.00 178.15 177.87 2mge h LEU 29 N 0.12 0.75 -0.54 1.44 3.38 -1.19 -0.63 115.31 118.64 2mge h LEU 29 Ca 0.05 -0.23 -0.14 0.00 0.09 0.00 0.00 57.88 57.66 2mge h LEU 29 Cb 0.46 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2mge h LEU 29 CO 0.02 0.90 -0.32 0.40 0.09 0.00 0.00 178.44 179.52 2mge h ILE 30 N 0.68 1.28 -0.74 1.22 2.04 -1.25 -0.78 117.51 119.97 2mge h ILE 30 Ca 0.11 -1.48 -0.03 0.00 1.00 0.00 0.00 64.86 64.46 2mge h ILE 30 Cb 0.61 1.33 -0.03 0.00 -0.74 0.00 0.00 36.82 37.99 2mge h ILE 30 CO 0.04 0.49 0.32 -0.09 0.00 0.00 0.00 178.15 178.92 2mge h ARG 31 N 0.69 1.08 0.36 2.37 9.65 -0.98 0.33 114.38 127.87 2mge h ARG 31 Ca 0.07 -0.17 -0.02 0.00 -1.10 0.00 0.00 59.98 58.77 2mge h ARG 31 Cb 0.87 -0.19 0.00 0.00 -1.39 0.00 0.00 29.97 29.27 2mge h ARG 31 CO 0.08 0.85 -0.17 1.25 2.80 0.00 0.00 179.97 184.78 2mge h LEU 32 N 1.06 -0.41 -1.22 3.80 5.85 -0.73 -0.96 115.31 122.70 2mge h LEU 32 Ca 0.25 -0.08 -0.05 0.00 0.84 0.00 0.00 57.88 58.85 2mge h LEU 32 Cb 0.16 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 2mge h LEU 32 CO -0.03 -0.17 0.00 -0.26 -0.34 0.00 0.00 178.44 177.65 2mge h PHE 33 N -0.64 0.55 -0.06 1.25 0.04 -0.95 0.21 116.94 117.33 2mge h PHE 33 Ca -0.05 -0.05 -0.03 0.00 2.80 0.00 0.00 57.97 60.64 2mge h PHE 33 Cb 0.46 -0.16 -0.00 0.00 2.20 0.00 0.00 35.95 38.45 2mge h PHE 33 CO -0.01 0.54 -0.07 0.87 -0.60 0.00 0.00 178.31 179.03 2mge h LYS 34 N 0.51 0.16 -0.66 1.51 1.57 -0.17 -3.04 116.57 116.45 2mge h LYS 34 Ca 0.11 -0.09 -0.07 0.00 -1.87 0.00 0.00 60.65 58.73 2mge h LYS 34 Cb 0.33 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.61 2mge h LYS 34 CO 0.01 0.62 0.12 0.77 -0.57 0.00 0.00 179.45 180.40 2mge h SER 35 N -0.29 1.04 -2.88 0.86 0.02 -1.06 -3.39 113.55 107.87 2mge h SER 35 Ca 0.01 -0.25 -0.60 0.00 -0.84 0.00 0.00 61.79 60.11 2mge h SER 35 Cb 0.60 -0.28 -0.40 0.00 0.14 0.00 0.00 62.40 62.46 2mge h SER 35 CO 0.02 1.03 -0.81 -1.00 -1.14 0.00 0.00 176.83 174.93 2mge s HIS 36 N -5.24 1.80 0.42 3.45 3.76 0.71 -4.98 115.29 115.21 2mge s HIS 36 Ca -0.12 -2.46 0.13 0.00 -0.15 0.00 0.00 55.06 52.46 2mge s HIS 36 Cb 0.14 -1.56 0.92 0.00 1.11 0.00 0.00 32.58 33.19 2mge s HIS 36 CO 0.85 -0.76 1.95 -1.35 -0.85 0.00 0.00 174.74 174.58 2mge h PRO 37 N 6.10 0.04 -0.16 8.40 0.11 -1.72 0.03 132.00 144.80 2mge h PRO 37 Ca 0.13 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 66.28 2mge h PRO 37 Cb 0.89 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.99 2mge h PRO 37 CO 0.46 0.25 0.21 1.05 -0.21 0.00 0.00 178.00 179.75 2mge h GLU 38 N 0.04 0.00 0.00 1.05 9.09 -1.93 -1.92 114.58 120.91 2mge h GLU 38 Ca 0.01 0.00 -0.05 0.00 0.05 0.00 0.00 59.36 59.36 2mge h GLU 38 Cb 0.39 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.48 2mge h GLU 38 CO 0.03 0.00 -0.24 1.79 0.05 0.00 0.00 179.01 180.64 2mge h THR 39 N 0.00 0.83 0.00 -1.06 1.35 -1.32 -2.35 112.91 110.35 2mge h THR 39 Ca 0.08 -0.95 -0.02 0.00 -0.55 0.00 0.00 66.41 64.97 2mge h THR 39 Cb 0.50 1.57 -0.00 0.00 -1.73 0.00 0.00 68.15 68.49 2mge h THR 39 CO -0.00 0.24 -0.07 0.25 -0.25 0.00 0.00 175.52 175.68 2mge h LEU 40 N 0.00 0.00 -1.87 3.87 5.85 -1.51 -1.25 115.31 120.41 2mge h LEU 40 Ca -0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 2mge h LEU 40 Cb 0.55 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.58 2mge h LEU 40 CO 0.03 0.07 -0.06 -0.33 -0.34 0.00 0.00 178.44 177.81 2mge h GLU 41 N 0.00 0.00 0.00 1.25 5.08 -1.56 -1.50 114.58 117.85 2mge h GLU 41 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2mge h GLU 41 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 2mge h GLU 41 CO 0.01 0.06 0.00 1.63 -1.00 0.00 0.00 179.01 179.71 2mge n LYS 42 N -3.29 0.11 -3.20 2.33 4.76 -0.47 -4.54 118.16 113.86 2mge n LYS 42 Ca -0.01 0.18 -0.45 0.00 -2.87 0.00 0.00 58.31 55.16 2mge n LYS 42 Cb 0.25 -1.66 -0.04 0.00 -1.84 0.00 0.00 35.03 31.74 2mge n LYS 42 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2mge s PHE 43 N -3.08 3.18 0.32 2.13 0.40 -0.56 -4.90 117.98 115.47 2mge s PHE 43 Ca 0.10 -1.22 0.04 0.00 -0.60 0.00 0.00 56.93 55.25 2mge s PHE 43 Cb 0.14 -3.92 0.65 0.00 0.51 0.00 0.00 43.02 40.39 2mge s PHE 43 CO 0.48 -1.17 1.89 -0.44 0.70 0.00 0.00 175.22 176.69 2mge h ASP 44 N 8.90 0.80 0.94 1.36 3.32 -1.84 0.43 116.42 130.34 2mge h ASP 44 Ca -0.23 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 56.80 2mge h ASP 44 Cb 1.08 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.49 2mge h ASP 44 CO 1.04 0.47 -0.18 0.03 -1.72 0.00 0.00 179.24 178.88 2mge h ARG 45 N 0.89 0.00 0.00 3.56 3.08 -1.95 -3.34 114.38 116.62 2mge h ARG 45 Ca 0.42 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.47 2mge h ARG 45 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.47 2mge h ARG 45 CO -0.18 0.18 0.00 1.19 -1.07 0.00 0.00 179.97 180.09 2mge n PHE 46 N -3.34 0.00 0.44 3.04 3.72 0.14 -4.78 117.46 116.67 2mge n PHE 46 Ca 0.00 -0.05 0.05 0.00 -0.05 0.00 0.00 57.45 57.40 2mge n PHE 46 Cb 0.41 -0.01 0.24 0.00 -0.94 0.00 0.00 39.48 39.18 2mge n PHE 46 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 176.76 177.07 2mge n LYS 47 N -0.05 0.11 0.00 -1.08 2.85 -0.29 -1.70 118.16 118.00 2mge n LYS 47 Ca 0.00 0.23 0.14 0.00 -1.05 0.00 0.00 58.31 57.63 2mge n LYS 47 Cb 0.06 -1.50 0.60 0.00 -0.65 0.00 0.00 35.03 33.53 2mge n LYS 47 CO 0.00 0.00 0.00 -2.39 -0.05 0.00 0.00 177.40 174.96 2mge n HIS 48 N -1.34 0.00 -2.27 5.58 1.44 -1.26 -4.86 115.22 112.51 2mge n HIS 48 Ca 0.04 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.33 2mge n HIS 48 Cb 0.09 -0.17 -0.03 0.00 0.12 0.00 0.00 29.99 30.00 2mge n HIS 48 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 2mge s LEU 49 N -2.45 4.30 -0.14 2.39 1.43 -0.69 -4.91 118.68 118.61 2mge s LEU 49 Ca 0.29 2.04 0.12 0.00 -1.03 0.00 0.00 54.13 55.55 2mge s LEU 49 Cb 0.20 -3.56 -0.23 0.00 0.03 0.00 0.00 46.19 42.63 2mge s LEU 49 CO 0.47 -0.70 0.29 0.29 0.23 0.00 0.00 176.35 176.94 2mge n LYS 50 N 5.42 0.67 -4.47 1.70 5.02 -1.26 -5.01 118.16 120.22 2mge n LYS 50 Ca 0.13 0.15 -0.22 0.00 -2.02 0.00 0.00 58.31 56.35 2mge n LYS 50 Cb 0.44 -1.64 -0.10 0.00 -0.02 0.00 0.00 35.03 33.71 2mge n LYS 50 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2mge s THR 51 N -2.54 1.09 -0.02 -0.18 -4.23 -1.26 -5.02 115.64 103.47 2mge s THR 51 Ca -0.12 -2.00 0.31 0.00 -1.18 0.00 0.00 61.69 58.70 2mge s THR 51 Cb 0.07 -2.71 0.38 0.00 1.34 0.00 0.00 72.50 71.58 2mge s THR 51 CO 0.80 0.00 1.91 -0.08 -0.54 0.00 0.00 174.62 176.70 2mge h GLU 52 N 2.04 0.00 -0.09 3.99 4.81 -1.99 -0.91 114.58 122.43 2mge h GLU 52 Ca -0.40 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 58.62 2mge h GLU 52 Cb 1.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.64 2mge h GLU 52 CO 0.68 0.00 -0.80 0.00 -0.73 0.00 0.00 179.01 178.15 2mge h ALA 53 N 2.02 0.41 -0.43 2.92 0.00 -1.98 0.11 119.26 122.31 2mge h ALA 53 Ca 0.00 -0.63 -0.06 0.00 0.00 0.00 0.00 54.91 54.23 2mge h ALA 53 Cb 0.59 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2mge h ALA 53 CO 0.00 0.73 0.04 0.93 0.00 0.00 0.00 179.25 180.96 2mge h GLU 54 N 0.39 0.72 -0.56 0.00 5.08 -1.60 -1.96 114.58 116.64 2mge h GLU 54 Ca -0.05 -0.21 0.03 0.00 -1.00 0.00 0.00 59.36 58.12 2mge h GLU 54 Cb 1.42 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.55 2mge h GLU 54 CO 0.15 0.77 0.34 0.52 -1.00 0.00 0.00 179.01 179.79 2mge h MET 55 N 0.57 0.64 -0.43 2.33 2.86 -0.88 -2.36 114.93 117.67 2mge h MET 55 Ca 0.13 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.69 2mge h MET 55 Cb 0.42 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.91 2mge h MET 55 CO 0.01 0.43 0.12 0.87 1.06 0.00 0.00 176.91 179.40 2mge h LYS 56 N 0.66 0.63 -0.00 1.72 1.57 -0.62 -2.22 116.57 118.31 2mge h LYS 56 Ca 0.23 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 2mge h LYS 56 Cb 0.03 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.23 2mge h LYS 56 CO -0.10 0.56 -0.02 0.00 -0.57 0.00 0.00 179.45 179.32 2mge n ALA 57 N -2.47 2.57 -2.66 3.86 0.00 -0.75 -4.86 120.51 116.19 2mge n ALA 57 Ca 0.03 -0.17 -0.43 0.00 0.00 0.00 0.00 53.44 52.86 2mge n ALA 57 Cb 0.19 -1.47 -0.02 0.00 0.00 0.00 0.00 19.45 18.15 2mge n ALA 57 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2mge s SER 58 N -2.46 7.10 0.17 0.00 0.15 -0.84 -4.87 113.70 112.96 2mge s SER 58 Ca 0.32 1.38 -0.10 0.00 0.70 0.00 0.00 55.95 58.26 2mge s SER 58 Cb 0.21 -2.54 0.03 0.00 -1.71 0.00 0.00 66.02 62.01 2mge s SER 58 CO 0.45 -0.66 1.59 -0.08 1.20 0.00 0.00 173.24 175.73 2mge h GLU 59 N 7.44 1.04 -0.15 5.44 4.57 -1.89 -2.60 114.58 128.42 2mge h GLU 59 Ca -0.20 -0.40 -0.00 0.00 -1.18 0.00 0.00 59.36 57.58 2mge h GLU 59 Cb 1.06 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.59 2mge h GLU 59 CO 0.97 1.09 0.08 -0.44 -1.18 0.00 0.00 179.01 179.54 2mge h ASP 60 N 0.92 0.19 -1.00 1.04 5.19 -1.97 -2.09 116.42 118.70 2mge h ASP 60 Ca 0.14 -0.08 0.13 0.00 -0.62 0.00 0.00 57.03 56.59 2mge h ASP 60 Cb 0.71 -0.05 -0.09 0.00 0.18 0.00 0.00 39.33 40.08 2mge h ASP 60 CO 0.05 0.21 0.63 0.25 -3.12 0.00 0.00 179.24 177.27 2mge h LEU 61 N 0.15 0.91 -0.67 1.55 5.85 -1.87 -2.09 115.31 119.15 2mge h LEU 61 Ca 0.05 0.05 -0.12 0.00 0.84 0.00 0.00 57.88 58.71 2mge h LEU 61 Cb 0.07 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 2mge h LEU 61 CO -0.01 0.47 -0.20 0.50 -0.34 0.00 0.00 178.44 178.86 2mge h LYS 62 N 0.97 0.82 -0.54 1.25 3.64 -1.38 -0.44 116.57 120.89 2mge h LYS 62 Ca 0.50 -0.33 -0.12 0.00 -1.27 0.00 0.00 60.65 59.44 2mge h LYS 62 Cb 0.52 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.29 2mge h LYS 62 CO -0.28 0.95 -0.12 0.87 -2.27 0.00 0.00 179.45 178.61 2mge h LYS 63 N 0.72 1.02 -0.62 1.90 1.57 -1.31 -2.18 116.57 117.68 2mge h LYS 63 Ca 0.10 -0.38 -0.06 0.00 -1.87 0.00 0.00 60.65 58.44 2mge h LYS 63 Cb 0.73 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.95 2mge h LYS 63 CO 0.06 1.07 0.16 1.25 -0.57 0.00 0.00 179.45 181.41 2mge h LEU 64 N 0.91 0.94 -0.58 2.94 5.85 -0.95 -1.31 115.31 123.11 2mge h LEU 64 Ca 0.14 -0.23 0.09 0.00 0.84 0.00 0.00 57.88 58.72 2mge h LEU 64 Cb 0.68 -0.25 -0.07 0.00 0.37 0.00 0.00 40.66 41.39 2mge h LEU 64 CO 0.05 0.92 0.19 1.23 -0.34 0.00 0.00 178.44 180.49 2mge h GLY 65 N 0.91 0.78 0.97 3.75 0.00 -0.58 -0.33 103.07 108.58 2mge h GLY 65 Ca 0.20 -0.09 -0.04 0.00 0.00 0.00 0.00 47.33 47.39 2mge h GLY 65 CO 0.00 -0.03 0.16 -2.08 0.00 0.00 0.00 176.54 174.58 2mge h VAL 66 N 0.36 1.23 -0.46 4.60 2.07 -1.02 -1.46 116.25 121.58 2mge h VAL 66 Ca 0.29 -0.78 0.03 0.00 0.82 0.00 0.00 66.70 67.07 2mge h VAL 66 Cb 0.37 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 2mge h VAL 66 CO -0.31 0.28 0.24 0.74 0.02 0.00 0.00 177.57 178.54 2mge h THR 67 N 0.69 0.99 -0.40 2.57 2.02 -0.89 -0.30 112.91 117.58 2mge h THR 67 Ca 0.16 -0.16 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 2mge h THR 67 Cb 0.28 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 2mge h THR 67 CO -0.00 0.09 0.17 0.58 0.37 0.00 0.00 175.52 176.72 2mge h VAL 68 N 0.48 1.19 0.00 3.16 2.07 -0.96 -2.20 116.25 119.99 2mge h VAL 68 Ca 0.19 -0.57 -0.13 0.00 0.82 0.00 0.00 66.70 67.01 2mge h VAL 68 Cb 0.08 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 2mge h VAL 68 CO -0.12 0.21 -0.63 -0.07 0.02 0.00 0.00 177.57 176.98 2mge h LEU 69 N 0.51 0.00 -0.39 2.57 3.38 -1.09 -1.66 115.31 118.62 2mge h LEU 69 Ca 0.14 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.93 2mge h LEU 69 Cb 0.17 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 2mge h LEU 69 CO -0.01 0.63 -0.57 0.74 0.09 0.00 0.00 178.44 179.31 2mge h THR 70 N 0.00 1.30 -0.23 0.22 2.02 -1.04 0.58 112.91 115.76 2mge h THR 70 Ca -0.01 -1.80 -0.16 0.00 0.77 0.00 0.00 66.41 65.22 2mge h THR 70 Cb 1.15 1.74 -0.01 0.00 -1.74 0.00 0.00 68.15 69.30 2mge h THR 70 CO 0.08 0.57 -0.50 0.00 0.37 0.00 0.00 175.52 176.04 2mge h ALA 71 N 0.82 0.69 -0.35 6.16 0.00 -1.12 -2.14 119.26 123.31 2mge h ALA 71 Ca 0.00 -0.49 -0.05 0.00 0.00 0.00 0.00 54.91 54.37 2mge h ALA 71 Cb 1.15 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 2mge h ALA 71 CO 0.12 0.68 0.02 1.25 0.00 0.00 0.00 179.25 181.31 2mge h LEU 72 N 0.50 0.59 -0.96 0.00 5.85 -1.12 -2.65 115.31 117.52 2mge h LEU 72 Ca 0.02 -0.29 0.04 0.00 0.84 0.00 0.00 57.88 58.48 2mge h LEU 72 Cb 1.05 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.87 2mge h LEU 72 CO 0.10 0.74 0.63 1.23 -0.34 0.00 0.00 178.44 180.79 2mge h GLY 73 N 0.42 1.40 1.79 3.75 0.00 -0.75 0.47 103.07 110.15 2mge h GLY 73 Ca 0.10 -0.48 -0.07 0.00 0.00 0.00 0.00 47.33 46.88 2mge h GLY 73 CO 0.01 0.41 -0.22 0.00 0.00 0.00 0.00 176.54 176.74 2mge h ALA 74 N 1.39 1.36 0.04 3.60 0.00 -1.28 -0.05 119.26 124.32 2mge h ALA 74 Ca 0.38 -0.28 -0.24 0.00 0.00 0.00 0.00 54.91 54.78 2mge h ALA 74 Cb 0.00 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 17.72 2mge h ALA 74 CO -0.12 0.44 -0.94 0.82 0.00 0.00 0.00 179.25 179.44 2mge h ILE 75 N 0.23 1.34 -0.01 0.00 2.04 -1.04 -3.01 117.51 117.06 2mge h ILE 75 Ca 0.04 -2.26 -0.09 0.00 1.00 0.00 0.00 64.86 63.55 2mge h ILE 75 Cb 0.52 2.57 -0.01 0.00 -0.74 0.00 0.00 36.82 39.16 2mge h ILE 75 CO 0.04 0.68 -0.44 -0.07 0.00 0.00 0.00 178.15 178.36 2mge h LEU 76 N 0.17 0.03 -0.99 1.44 3.38 -0.48 -1.92 115.31 116.94 2mge h LEU 76 Ca -0.13 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.83 2mge h LEU 76 Cb 1.63 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.37 2mge h LEU 76 CO 0.18 0.47 0.00 0.11 0.09 0.00 0.00 178.44 179.29 2mge h LYS 77 N 0.02 0.00 0.00 1.13 1.57 -0.88 -1.80 116.57 116.61 2mge h LYS 77 Ca -0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 2mge h LYS 77 Cb 0.79 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.09 2mge h LYS 77 CO 0.06 0.00 -0.26 0.87 -0.57 0.00 0.00 179.45 179.54 2mge h LYS 78 N 0.00 0.00 -5.39 3.15 6.56 -1.28 -3.48 116.57 116.14 2mge h LYS 78 Ca 0.00 0.00 -0.32 0.00 -1.06 0.00 0.00 60.65 59.27 2mge h LYS 78 Cb 0.47 0.00 0.15 0.00 -0.57 0.00 0.00 32.23 32.28 2mge h LYS 78 CO 0.00 0.26 -0.69 1.63 -2.06 0.00 0.00 179.45 178.59 2mge n LYS 79 N -3.59 -6.39 0.00 3.15 5.02 -0.68 -1.15 118.16 114.52 2mge n LYS 79 Ca -0.01 0.78 0.00 0.00 -2.02 0.00 0.00 58.31 57.06 2mge n LYS 79 Cb 0.40 -5.61 0.00 0.00 -0.02 0.00 0.00 35.03 29.80 2mge n LYS 79 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2mge n GLY 80 N -1.29 3.11 3.02 0.72 0.00 -1.26 -4.96 105.19 104.52 2mge n GLY 80 Ca -0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.38 2mge n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2mge n HIS 81 N -0.90 3.20 -1.33 1.61 8.25 -0.30 -4.67 115.22 121.08 2mge n HIS 81 Ca 0.00 -2.89 0.07 0.00 -0.26 0.00 0.00 57.72 54.64 2mge n HIS 81 Cb 0.00 -1.78 0.11 0.00 1.12 0.00 0.00 29.99 29.43 2mge n HIS 81 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2mge n HIS 82 N 3.36 0.00 -0.25 4.41 1.44 -1.26 -4.73 115.22 118.20 2mge n HIS 82 Ca 0.35 -0.76 0.06 0.00 -2.01 0.00 0.00 57.72 55.36 2mge n HIS 82 Cb 0.37 -0.13 0.18 0.00 0.12 0.00 0.00 29.99 30.53 2mge n HIS 82 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 176.34 174.46 2mge h GLU 83 N 0.04 0.22 -0.22 -1.40 3.07 -1.99 -0.78 114.58 113.52 2mge h GLU 83 Ca -0.00 -0.01 -0.05 0.00 -0.50 0.00 0.00 59.36 58.79 2mge h GLU 83 Cb 1.11 -0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.96 2mge h GLU 83 CO 0.00 0.15 -0.08 0.00 -1.40 0.00 0.00 179.01 177.68 2mge h ALA 84 N 1.64 0.30 -0.90 3.43 0.00 -2.01 -2.87 119.26 118.85 2mge h ALA 84 Ca 0.42 -0.28 0.07 0.00 0.00 0.00 0.00 54.91 55.12 2mge h ALA 84 Cb 0.73 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.39 2mge h ALA 84 CO -0.55 0.12 0.59 0.93 0.00 0.00 0.00 179.25 180.34 2mge h GLU 85 N 0.16 0.99 -0.08 0.00 3.07 -1.78 -3.23 114.58 113.70 2mge h GLU 85 Ca 0.05 -0.06 -0.11 0.00 -0.50 0.00 0.00 59.36 58.74 2mge h GLU 85 Cb 0.55 -0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 28.23 2mge h GLU 85 CO 0.03 0.66 -0.45 -0.07 -1.40 0.00 0.00 179.01 177.77 2mge h LEU 86 N 1.02 0.21 -0.07 1.33 4.07 -0.95 -3.35 115.31 117.56 2mge h LEU 86 Ca 0.39 -0.09 0.04 0.00 0.08 0.00 0.00 57.88 58.30 2mge h LEU 86 Cb 0.21 -0.06 -0.05 0.00 1.08 0.00 0.00 40.66 41.84 2mge h LEU 86 CO -0.15 0.64 -0.25 0.11 -1.08 0.00 0.00 178.44 177.71 2mge h LYS 87 N 0.16 -0.33 0.00 1.13 1.57 -1.53 0.16 116.57 117.73 2mge h LYS 87 Ca 0.01 0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.72 2mge h LYS 87 Cb 0.86 0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.24 2mge h LYS 87 CO 0.07 -0.22 -0.43 -1.00 -0.57 0.00 0.00 179.45 177.29 2mge h PRO 88 N -0.35 0.00 -0.23 3.15 0.13 -1.77 -1.33 132.00 131.61 2mge h PRO 88 Ca 0.08 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.11 2mge h PRO 88 Cb 0.47 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.60 2mge h PRO 88 CO -0.27 0.43 -0.26 1.25 -0.23 0.00 0.00 178.00 178.92 2mge h LEU 89 N 0.00 0.62 -0.50 1.56 7.12 -1.64 -0.47 115.31 122.00 2mge h LEU 89 Ca -0.00 -0.49 -0.09 0.00 0.13 0.00 0.00 57.88 57.43 2mge h LEU 89 Cb 0.82 -0.18 -0.02 0.00 -0.53 0.00 0.00 40.66 40.76 2mge h LEU 89 CO 0.06 0.99 -0.03 0.00 -0.13 0.00 0.00 178.44 179.32 2mge h ALA 90 N 0.65 0.68 -0.33 1.25 0.00 -0.72 -1.43 119.26 119.37 2mge h ALA 90 Ca 0.03 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 2mge h ALA 90 Cb 0.83 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2mge h ALA 90 CO 0.06 0.52 0.11 0.37 0.00 0.00 0.00 179.25 180.32 2mge h GLN 91 N 0.77 0.51 -0.14 0.00 4.15 -0.95 -0.16 115.11 119.29 2mge h GLN 91 Ca 0.14 -0.10 -0.14 0.00 0.77 0.00 0.00 58.65 59.31 2mge h GLN 91 Cb 0.56 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 28.17 2mge h GLN 91 CO 0.03 0.53 -0.52 0.66 -1.93 0.00 0.00 178.83 177.60 2mge h SER 92 N 0.38 0.44 1.74 -0.69 4.64 -1.02 -0.79 113.55 118.26 2mge h SER 92 Ca 0.11 -0.23 -0.03 0.00 -0.47 0.00 0.00 61.79 61.17 2mge h SER 92 Cb 0.23 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 62.19 2mge h SER 92 CO -0.01 0.89 -0.14 0.45 -0.87 0.00 0.00 176.83 177.15 2mge h HIS 93 N 0.31 0.00 0.09 4.77 3.86 -1.16 -1.01 115.15 122.02 2mge h HIS 93 Ca 0.01 0.00 -0.34 0.00 -1.16 0.00 0.00 60.37 58.88 2mge h HIS 93 Cb 1.03 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.47 2mge h HIS 93 CO 0.03 0.14 -1.90 0.00 0.86 0.00 0.00 177.93 177.06 2mge n ALA 94 N -2.14 1.06 -0.13 2.45 0.00 -0.08 -0.76 120.51 120.91 2mge n ALA 94 Ca 0.03 -0.63 -0.19 0.00 0.00 0.00 0.00 53.44 52.65 2mge n ALA 94 Cb 0.56 -0.75 -0.12 0.00 0.00 0.00 0.00 19.45 19.15 2mge n ALA 94 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2mge n THR 95 N -3.35 1.50 -0.09 0.00 -1.04 -0.32 -3.79 114.28 107.18 2mge n THR 95 Ca -0.27 -0.56 -0.17 0.00 -2.04 0.00 0.00 64.05 61.01 2mge n THR 95 Cb 1.05 -1.46 -0.09 0.00 -1.82 0.00 0.00 70.33 68.01 2mge n THR 95 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 2mge h LYS 96 N -0.07 0.00 0.05 -2.82 3.64 -1.39 -3.43 116.57 112.56 2mge h LYS 96 Ca -0.59 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 58.49 2mge h LYS 96 Cb 1.88 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.67 2mge h LYS 96 CO -0.11 0.78 -1.66 0.45 -2.27 0.00 0.00 179.45 176.64 2mge h HIS 97 N -1.00 0.20 -4.80 1.91 3.86 -1.41 -3.49 115.15 110.41 2mge h HIS 97 Ca -0.25 -0.15 -0.03 0.00 -1.16 0.00 0.00 60.37 58.78 2mge h HIS 97 Cb 1.10 -0.01 0.03 0.00 1.06 0.00 0.00 27.41 29.59 2mge h HIS 97 CO 0.05 1.24 -0.12 1.63 0.86 0.00 0.00 177.93 181.60 2mge n LYS 98 N -3.25 -1.13 -3.72 2.45 4.01 -0.50 -4.98 118.16 111.04 2mge n LYS 98 Ca -0.18 1.15 -0.37 0.00 -0.51 0.00 0.00 58.31 58.40 2mge n LYS 98 Cb 1.04 -4.74 -0.11 0.00 -0.51 0.00 0.00 35.03 30.71 2mge n LYS 98 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 2mge s ILE 99 N -3.05 4.93 0.62 -0.18 -1.09 0.06 -5.02 121.20 117.46 2mge s ILE 99 Ca 0.06 0.03 -0.15 0.00 -2.23 0.00 0.00 60.65 58.37 2mge s ILE 99 Cb -0.01 -3.31 -0.02 0.00 -1.58 0.00 0.00 42.46 37.54 2mge s ILE 99 CO 0.57 0.33 1.06 -2.16 -1.23 0.00 0.00 174.94 173.50 2mge s PRO 100 N 1.38 3.21 0.44 2.79 0.04 -1.26 -4.81 135.00 136.80 2mge s PRO 100 Ca 0.06 1.15 0.12 0.00 0.04 0.00 0.00 61.00 62.37 2mge s PRO 100 Cb -0.15 -2.02 1.01 0.00 0.04 0.00 0.00 34.50 33.38 2mge s PRO 100 CO 0.06 -0.89 2.03 0.82 0.04 0.00 0.00 177.00 179.06 2mge h ILE 101 N 0.16 0.98 -0.47 0.56 1.08 -1.44 0.12 117.51 118.51 2mge h ILE 101 Ca -0.46 -0.14 0.05 0.00 -0.39 0.00 0.00 64.86 63.92 2mge h ILE 101 Cb 1.22 0.55 -0.03 0.00 -3.07 0.00 0.00 36.82 35.49 2mge h ILE 101 CO 0.57 0.07 0.31 0.50 -0.69 0.00 0.00 178.15 178.92 2mge h LYS 102 N 0.40 0.42 -0.00 2.37 1.63 -1.91 -0.08 116.57 119.39 2mge h LYS 102 Ca 0.19 -0.03 -0.15 0.00 -0.85 0.00 0.00 60.65 59.81 2mge h LYS 102 Cb 0.26 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 31.77 2mge h LYS 102 CO -0.05 0.28 -0.72 1.88 -3.45 0.00 0.00 179.45 177.39 2mge h TYR 103 N 0.44 0.04 -0.17 1.91 -1.99 -1.32 -1.50 116.97 114.37 2mge h TYR 103 Ca 0.20 -0.02 -0.12 0.00 2.00 0.00 0.00 58.73 60.79 2mge h TYR 103 Cb 0.24 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 38.95 2mge h TYR 103 CO -0.00 0.74 -0.41 -0.07 -0.00 0.00 0.00 178.16 178.43 2mge h LEU 104 N 0.02 0.42 -0.43 3.88 3.38 -0.98 -1.68 115.31 119.91 2mge h LEU 104 Ca -0.01 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 2mge h LEU 104 Cb 1.28 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.89 2mge h LEU 104 CO 0.10 0.78 0.17 -0.33 0.09 0.00 0.00 178.44 179.25 2mge h GLU 105 N 0.33 0.65 -0.78 1.13 5.08 -0.93 -1.71 114.58 118.36 2mge h GLU 105 Ca 0.03 -0.12 0.05 0.00 -1.00 0.00 0.00 59.36 58.31 2mge h GLU 105 Cb 0.86 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.95 2mge h GLU 105 CO 0.07 0.61 0.48 0.74 -1.00 0.00 0.00 179.01 179.91 2mge h PHE 106 N 0.56 0.90 0.00 4.33 0.04 -1.05 -1.39 116.94 120.32 2mge h PHE 106 Ca 0.14 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.93 2mge h PHE 106 Cb 0.20 -0.29 -0.00 0.00 2.20 0.00 0.00 35.95 38.06 2mge h PHE 106 CO 0.00 0.48 -0.06 0.97 -0.60 0.00 0.00 178.31 179.11 2mge h ILE 107 N 0.91 0.12 -0.44 -0.55 2.10 -1.20 -2.03 117.51 116.43 2mge h ILE 107 Ca 0.33 -0.86 -0.10 0.00 1.08 0.00 0.00 64.86 65.31 2mge h ILE 107 Cb 0.10 1.77 -0.02 0.00 -1.09 0.00 0.00 36.82 37.58 2mge h ILE 107 CO -0.15 0.06 -0.12 0.28 -1.08 0.00 0.00 178.15 177.14 2mge h SER 108 N 0.00 0.80 0.04 2.19 0.02 -0.33 0.13 113.55 116.40 2mge h SER 108 Ca -0.00 -0.25 -0.09 0.00 -0.84 0.00 0.00 61.79 60.61 2mge h SER 108 Cb 0.77 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.08 2mge h SER 108 CO 0.01 0.94 -0.29 -0.08 -1.14 0.00 0.00 176.83 176.27 2mge h GLU 109 N 0.73 0.39 -0.07 3.45 4.81 -0.91 -1.82 114.58 121.16 2mge h GLU 109 Ca 0.12 -0.15 -0.18 0.00 -0.13 0.00 0.00 59.36 59.02 2mge h GLU 109 Cb 0.61 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.97 2mge h GLU 109 CO 0.04 0.64 -0.74 0.00 -0.73 0.00 0.00 179.01 178.22 2mge h ALA 110 N 1.36 0.60 -0.28 2.92 0.00 -0.65 -1.15 119.26 122.05 2mge h ALA 110 Ca 0.05 -0.62 -0.05 0.00 0.00 0.00 0.00 54.91 54.29 2mge h ALA 110 Cb 0.68 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2mge h ALA 110 CO 0.05 0.78 -0.02 0.82 0.00 0.00 0.00 179.25 180.88 2mge h ILE 111 N 0.25 1.26 -0.58 0.00 2.04 -0.58 -0.86 117.51 119.04 2mge h ILE 111 Ca -0.03 -0.97 -0.05 0.00 1.00 0.00 0.00 64.86 64.80 2mge h ILE 111 Cb 1.32 1.33 -0.03 0.00 -0.74 0.00 0.00 36.82 38.71 2mge h ILE 111 CO 0.13 0.31 0.14 0.40 0.00 0.00 0.00 178.15 179.13 2mge h ILE 112 N 0.29 1.24 -0.42 -0.67 2.04 -1.18 -0.03 117.51 118.77 2mge h ILE 112 Ca 0.08 -0.86 -0.05 0.00 1.00 0.00 0.00 64.86 65.04 2mge h ILE 112 Cb 0.46 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 2mge h ILE 112 CO 0.02 0.32 0.08 -0.74 0.00 0.00 0.00 178.15 177.83 2mge h HIS 113 N 0.86 0.74 -0.22 1.37 2.76 -0.97 0.98 115.15 120.68 2mge h HIS 113 Ca 0.19 -0.10 -0.06 0.00 -2.20 0.00 0.00 60.37 58.20 2mge h HIS 113 Cb 0.31 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 29.06 2mge h HIS 113 CO 0.02 0.71 -0.11 0.28 -1.30 0.00 0.00 177.93 177.53 2mge h VAL 114 N 0.56 1.31 -0.35 5.26 2.07 -0.85 -0.93 116.25 123.31 2mge h VAL 114 Ca 0.13 -1.18 -0.03 0.00 0.82 0.00 0.00 66.70 66.44 2mge h VAL 114 Cb 0.36 1.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 2mge h VAL 114 CO 0.01 0.36 0.07 -0.07 0.02 0.00 0.00 177.57 177.96 2mge h LEU 115 N 0.16 0.47 -0.61 2.57 3.38 -0.78 0.04 115.31 120.54 2mge h LEU 115 Ca 0.05 -0.07 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 2mge h LEU 115 Cb 0.60 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 2mge h LEU 115 CO 0.03 0.49 0.10 -0.74 0.09 0.00 0.00 178.44 178.42 2mge h HIS 116 N 0.51 1.07 -0.01 1.13 2.76 -0.58 0.31 115.15 120.33 2mge h HIS 116 Ca 0.12 -0.15 -0.20 0.00 -2.20 0.00 0.00 60.37 57.94 2mge h HIS 116 Cb 0.22 -0.29 -0.01 0.00 1.55 0.00 0.00 27.41 28.88 2mge h HIS 116 CO 0.01 0.91 -0.86 0.66 -1.30 0.00 0.00 177.93 177.35 2mge h SER 117 N 0.91 0.39 0.99 3.26 4.64 -0.55 -3.32 113.55 119.87 2mge h SER 117 Ca 0.19 -0.30 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 2mge h SER 117 Cb 0.42 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 2mge h SER 117 CO 0.01 1.09 -0.73 0.03 -0.87 0.00 0.00 176.83 176.36 2mge h ARG 118 N 0.18 0.00 -1.80 4.77 3.08 -0.87 -3.40 114.38 116.34 2mge h ARG 118 Ca -0.05 0.00 -0.47 0.00 0.07 0.00 0.00 59.98 59.53 2mge h ARG 118 Cb 1.48 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 31.13 2mge h ARG 118 CO 0.14 0.00 -1.12 0.72 -1.07 0.00 0.00 179.97 178.64 2mge n HIS 119 N -2.39 0.93 0.13 3.04 8.25 0.08 -4.92 115.22 120.34 2mge n HIS 119 Ca 0.02 -3.59 0.02 0.00 -0.26 0.00 0.00 57.72 53.91 2mge n HIS 119 Cb 0.49 -0.41 0.38 0.00 1.12 0.00 0.00 29.99 31.57 2mge n HIS 119 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2mge h PRO 120 N 2.98 0.18 0.00 -0.41 0.13 -1.74 0.10 132.00 133.25 2mge h PRO 120 Ca 0.07 -0.05 -0.09 0.00 -0.87 0.00 0.00 66.00 65.06 2mge h PRO 120 Cb 0.96 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.06 2mge h PRO 120 CO 0.55 0.39 -0.43 0.78 -0.23 0.00 0.00 178.00 179.06 2mge h GLY 121 N 0.83 0.00 -1.99 1.56 0.00 -1.92 -2.85 103.07 98.70 2mge h GLY 121 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 2mge h GLY 121 CO 0.03 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.27 2mge n ASN 122 N -3.49 3.93 -3.05 0.19 3.02 -0.26 -4.66 115.26 110.94 2mge n ASN 122 Ca 0.00 -2.55 -0.15 0.00 -0.03 0.00 0.00 54.58 51.85 2mge n ASN 122 Cb 0.56 -0.47 -0.00 0.00 -0.61 0.00 0.00 39.78 39.26 2mge n ASN 122 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 2mge n PHE 123 N 0.30 -0.21 -0.75 3.10 7.35 -0.14 -4.65 117.46 122.46 2mge n PHE 123 Ca 0.20 -3.41 0.00 0.00 -0.76 0.00 0.00 57.45 53.48 2mge n PHE 123 Cb 0.77 -0.07 0.00 0.00 0.35 0.00 0.00 39.48 40.52 2mge n PHE 123 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2mge n GLY 124 N 0.23 -1.47 0.30 7.13 0.00 -1.25 -4.62 105.19 105.51 2mge n GLY 124 Ca 0.20 -1.60 -0.07 0.00 0.00 0.00 0.00 46.02 44.54 2mge n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2mge h ALA 125 N -2.00 0.93 -0.52 4.61 0.00 -1.99 -0.23 119.26 120.07 2mge h ALA 125 Ca 0.00 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.50 2mge h ALA 125 Cb 0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2mge h ALA 125 CO 0.00 0.64 -0.10 -0.44 0.00 0.00 0.00 179.25 179.34 2mge h ASP 126 N 0.87 0.98 0.05 0.00 3.32 -1.99 -0.79 116.42 118.86 2mge h ASP 126 Ca 0.15 -0.35 -0.09 0.00 0.02 0.00 0.00 57.03 56.76 2mge h ASP 126 Cb 0.55 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.82 2mge h ASP 126 CO 0.03 1.11 -0.28 0.00 -1.72 0.00 0.00 179.24 178.37 2mge h ALA 127 N 0.91 1.17 -0.31 3.45 0.00 -1.81 -1.36 119.26 121.31 2mge h ALA 127 Ca 0.13 -0.34 -0.18 0.00 0.00 0.00 0.00 54.91 54.52 2mge h ALA 127 Cb 0.66 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 2mge h ALA 127 CO 0.05 0.54 -0.51 0.37 0.00 0.00 0.00 179.25 179.69 2mge h GLN 128 N 0.32 0.88 -0.71 0.00 4.15 -0.80 -0.65 115.11 118.31 2mge h GLN 128 Ca 0.05 -0.54 -0.01 0.00 0.77 0.00 0.00 58.65 58.91 2mge h GLN 128 Cb 0.67 0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.38 2mge h GLN 128 CO 0.05 1.18 0.38 0.78 -1.93 0.00 0.00 178.83 179.29 2mge h GLY 129 N 0.72 1.06 0.99 2.39 0.00 -0.75 0.67 103.07 108.15 2mge h GLY 129 Ca 0.03 -0.48 -0.06 0.00 0.00 0.00 0.00 47.33 46.81 2mge h GLY 129 CO 0.12 0.46 0.05 0.00 0.00 0.00 0.00 176.54 177.17 2mge h ALA 130 N 1.19 0.65 -0.60 3.60 0.00 -1.10 -1.29 119.26 121.72 2mge h ALA 130 Ca 0.25 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 2mge h ALA 130 Cb 0.04 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2mge h ALA 130 CO -0.04 0.40 0.18 1.98 0.00 0.00 0.00 179.25 181.77 2mge h MET 131 N 0.69 0.93 -0.16 0.00 -1.53 -0.88 -1.17 114.93 112.82 2mge h MET 131 Ca 0.14 -0.21 0.01 0.00 -3.44 0.00 0.00 59.70 56.21 2mge h MET 131 Cb 0.44 -0.13 -0.01 0.00 -0.55 0.00 0.00 31.60 31.34 2mge h MET 131 CO 0.01 0.84 0.07 -0.97 0.14 0.00 0.00 176.91 177.01 2mge h ASN 132 N 0.85 0.10 -0.70 1.39 -1.24 -0.77 -0.88 115.58 114.33 2mge h ASN 132 Ca 0.19 0.01 0.10 0.00 0.71 0.00 0.00 56.30 57.31 2mge h ASN 132 Cb 0.30 -0.01 -0.08 0.00 0.73 0.00 0.00 38.32 39.27 2mge h ASN 132 CO -0.00 0.08 0.32 0.50 -1.29 0.00 0.00 177.43 177.04 2mge h LYS 133 N 0.16 0.51 -0.48 6.67 3.64 -1.02 0.75 116.57 126.80 2mge h LYS 133 Ca 0.07 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.35 2mge h LYS 133 Cb 0.02 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 2mge h LYS 133 CO -0.05 0.34 0.03 0.00 -2.27 0.00 0.00 179.45 177.50 2mge h ALA 134 N 1.46 1.16 0.01 5.00 0.00 -0.92 0.56 119.26 126.53 2mge h ALA 134 Ca 0.36 -0.24 -0.20 0.00 0.00 0.00 0.00 54.91 54.83 2mge h ALA 134 Cb 0.43 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2mge h ALA 134 CO -0.31 0.55 -0.89 -0.07 0.00 0.00 0.00 179.25 178.53 2mge h LEU 135 N 0.72 0.19 -0.85 0.00 3.38 -0.95 -0.78 115.31 117.03 2mge h LEU 135 Ca 0.15 -0.16 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 2mge h LEU 135 Cb 0.40 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 2mge h LEU 135 CO 0.01 0.98 -0.12 -0.33 0.09 0.00 0.00 178.44 179.08 2mge h GLU 136 N 0.07 0.73 -0.14 1.13 5.08 -0.59 0.11 114.58 120.97 2mge h GLU 136 Ca -0.04 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.07 2mge h GLU 136 Cb 1.53 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.72 2mge h GLU 136 CO 0.13 0.82 0.04 1.25 -1.00 0.00 0.00 179.01 180.25 2mge h LEU 137 N 0.66 0.22 -0.39 1.33 5.85 -0.65 -0.06 115.31 122.26 2mge h LEU 137 Ca 0.11 -0.23 0.07 0.00 0.84 0.00 0.00 57.88 58.68 2mge h LEU 137 Cb 0.58 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.49 2mge h LEU 137 CO 0.04 0.39 -0.03 0.15 -0.34 0.00 0.00 178.44 178.65 2mge h PHE 138 N 0.03 -0.08 -0.70 1.25 3.57 -0.83 -0.94 116.94 119.24 2mge h PHE 138 Ca 0.05 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.52 2mge h PHE 138 Cb 0.26 0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.07 2mge h PHE 138 CO 0.01 -0.11 0.20 0.00 -2.23 0.00 0.00 178.31 176.18 2mge h ARG 139 N 0.07 1.09 -0.61 1.11 3.08 -0.56 -0.09 114.38 118.47 2mge h ARG 139 Ca 0.19 -0.24 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 2mge h ARG 139 Cb 0.28 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.15 2mge h ARG 139 CO -0.35 0.94 0.27 -0.22 -1.07 0.00 0.00 179.97 179.55 2mge h LYS 140 N 1.04 0.90 -0.29 0.04 3.64 -0.68 -0.00 116.57 121.23 2mge h LYS 140 Ca 0.22 -0.15 -0.17 0.00 -1.27 0.00 0.00 60.65 59.29 2mge h LYS 140 Cb 0.32 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 31.98 2mge h LYS 140 CO -0.00 0.74 -0.50 -0.44 -2.27 0.00 0.00 179.45 176.98 2mge h ASP 141 N 0.85 0.88 -0.39 4.20 5.19 -1.00 -2.17 116.42 123.98 2mge h ASP 141 Ca 0.21 -0.45 -0.11 0.00 -0.62 0.00 0.00 57.03 56.06 2mge h ASP 141 Cb 0.16 -0.25 -0.02 0.00 0.18 0.00 0.00 39.33 39.40 2mge h ASP 141 CO -0.02 1.22 -0.16 0.40 -3.12 0.00 0.00 179.24 177.56 2mge h ILE 142 N 0.63 1.27 -0.45 0.35 1.08 -0.91 -1.91 117.51 117.56 2mge h ILE 142 Ca 0.03 -1.28 -0.01 0.00 -0.39 0.00 0.00 64.86 63.21 2mge h ILE 142 Cb 1.08 1.09 -0.02 0.00 -3.07 0.00 0.00 36.82 35.91 2mge h ILE 142 CO 0.11 0.44 0.25 0.00 -0.69 0.00 0.00 178.15 178.25 2mge h ALA 143 N 1.05 1.58 -0.34 1.87 0.00 -0.84 0.10 119.26 122.68 2mge h ALA 143 Ca 0.11 -0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.79 2mge h ALA 143 Cb 0.69 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2mge h ALA 143 CO 0.05 0.35 -0.42 0.00 0.00 0.00 0.00 179.25 179.24 2mge h ALA 144 N 1.64 0.61 -0.54 0.00 0.00 -1.13 -1.98 119.26 117.86 2mge h ALA 144 Ca 0.16 -0.46 -0.11 0.00 0.00 0.00 0.00 54.91 54.50 2mge h ALA 144 Cb 0.02 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2mge h ALA 144 CO -0.03 0.67 -0.10 0.87 0.00 0.00 0.00 179.25 180.67 2mge h LYS 145 N 0.69 1.00 -0.62 0.00 6.56 -0.80 -2.46 116.57 120.94 2mge h LYS 145 Ca 0.05 -0.36 0.08 0.00 -1.06 0.00 0.00 60.65 59.36 2mge h LYS 145 Cb 1.00 -0.07 -0.06 0.00 -0.57 0.00 0.00 32.23 32.53 2mge h LYS 145 CO 0.10 1.04 0.28 1.88 -2.06 0.00 0.00 179.45 180.69 2mge h TYR 146 N 0.90 0.51 -0.45 -1.35 -1.99 -0.41 -0.34 116.97 113.82 2mge h TYR 146 Ca 0.14 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.90 2mge h TYR 146 Cb 0.65 -0.13 -0.02 0.00 2.00 0.00 0.00 36.73 39.23 2mge h TYR 146 CO 0.04 0.19 0.30 -0.22 -0.00 0.00 0.00 178.16 178.47 2mge h LYS 147 N 0.51 0.60 -0.50 4.88 3.64 -1.08 -0.64 116.57 123.97 2mge h LYS 147 Ca 0.30 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.61 2mge h LYS 147 Cb 0.30 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 2mge h LYS 147 CO -0.25 0.40 0.19 0.93 -2.27 0.00 0.00 179.45 178.46 2mge h GLU 148 N 0.61 0.72 0.00 1.90 5.08 -0.93 -1.48 114.58 120.47 2mge h GLU 148 Ca 0.16 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2mge h GLU 148 Cb -0.06 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.06 2mge h GLU 148 CO -0.03 0.60 0.00 1.28 -1.00 0.00 0.00 179.01 179.85 2mge n LEU 149 N -4.34 0.45 0.00 1.33 4.77 -0.20 -4.94 117.00 114.06 2mge n LEU 149 Ca 0.04 0.55 0.00 0.00 -0.03 0.00 0.00 56.01 56.57 2mge n LEU 149 Cb 0.16 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 2mge n LEU 149 CO 0.38 -0.16 0.00 0.61 -1.33 0.00 0.00 177.39 176.89 2mge n GLY 150 N 1.13 1.00 0.69 -0.72 0.00 -0.40 -4.98 105.19 101.92 2mge n GLY 150 Ca 0.06 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.01 2mge n GLY 150 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2mge n TYR 151 N -1.99 0.00 -1.16 1.61 9.36 -0.39 -5.00 117.16 119.59 2mge n TYR 151 Ca 0.00 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.22 2mge n TYR 151 Cb 0.00 -0.24 0.00 0.00 -0.63 0.00 0.00 39.34 38.47 2mge n TYR 151 CO 0.00 0.00 0.00 0.94 0.22 0.00 0.00 176.86 178.02 2mge n GLN 152 N -3.22 -0.16 0.00 2.98 -0.06 -1.05 -4.90 117.38 110.98 2mge n GLN 152 Ca -0.13 0.26 0.00 0.00 -2.00 0.00 0.00 57.00 55.13 2mge n GLN 152 Cb 0.60 -0.27 0.00 0.00 -4.06 0.00 0.00 30.24 26.51 2mge n GLN 152 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27