#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jmg n ALA 3 N 0.00 0.00 -1.50 4.61 0.00 -1.26 -4.97 120.51 117.39 2jmg n ALA 3 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 2jmg n ALA 3 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 2jmg n ALA 3 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2jmg n ARG 4 N -0.92 2.21 -0.06 0.00 3.00 -1.26 -4.90 116.66 114.74 2jmg n ARG 4 Ca 0.00 -2.27 0.01 0.00 -0.01 0.00 0.00 57.85 55.58 2jmg n ARG 4 Cb 0.00 -3.14 -0.00 0.00 0.00 0.00 0.00 32.46 29.32 2jmg n ARG 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2jmg n ALA 5 N 7.03 -0.21 -1.22 7.54 0.00 -1.26 -4.99 120.51 127.39 2jmg n ALA 5 Ca 0.51 0.02 0.08 0.00 0.00 0.00 0.00 53.44 54.05 2jmg n ALA 5 Cb 0.40 -0.07 -0.05 0.00 0.00 0.00 0.00 19.45 19.74 2jmg n ALA 5 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2jmg n SER 6 N -3.49 -6.62 0.15 0.00 3.41 -1.26 -5.05 113.62 100.76 2jmg n SER 6 Ca 0.00 1.35 0.00 0.00 -0.26 0.00 0.00 58.87 59.96 2jmg n SER 6 Cb 0.03 -4.03 0.00 0.00 -0.26 0.00 0.00 64.21 59.95 2jmg n SER 6 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2jmg n ARG 7 N -3.27 0.00 -1.03 4.33 5.12 -1.26 -4.96 116.66 115.59 2jmg n ARG 7 Ca -0.05 0.00 -0.30 0.00 -1.93 0.00 0.00 57.85 55.57 2jmg n ARG 7 Cb 0.49 0.00 0.25 0.00 -1.16 0.00 0.00 32.46 32.04 2jmg n ARG 7 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2jmg s LEU 8 N -6.43 0.53 0.00 0.55 1.43 -1.26 -5.09 118.68 108.41 2jmg s LEU 8 Ca 0.00 0.62 0.02 0.00 -1.03 0.00 0.00 54.13 53.74 2jmg s LEU 8 Cb 0.00 -2.31 -0.01 0.00 0.03 0.00 0.00 46.19 43.91 2jmg s LEU 8 CO 0.00 -4.26 0.22 -1.54 0.23 0.00 0.00 176.35 171.00 2jmg n SER 9 N -4.85 -0.60 -0.32 2.29 3.41 -1.26 -5.00 113.62 107.28 2jmg n SER 9 Ca 0.14 -2.25 0.17 0.00 -0.26 0.00 0.00 58.87 56.67 2jmg n SER 9 Cb 0.60 1.24 0.37 0.00 -0.26 0.00 0.00 64.21 66.15 2jmg n SER 9 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2jmg h GLY 10 N 1.22 1.74 0.69 5.00 0.00 -1.98 0.30 103.07 110.04 2jmg h GLY 10 Ca -0.15 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 46.97 2jmg h GLY 10 CO 0.21 -0.33 -0.34 -1.33 0.00 0.00 0.00 176.54 174.75 2jmg h GLY 11 N 0.40 -0.82 1.92 4.60 0.00 -2.01 -1.87 103.07 105.28 2jmg h GLY 11 Ca 0.62 0.39 -0.09 0.00 0.00 0.00 0.00 47.33 48.26 2jmg h GLY 11 CO -0.55 -0.30 -0.38 0.83 0.00 0.00 0.00 176.54 176.14 2jmg h GLU 12 N -0.74 0.09 -0.90 4.80 3.07 -1.69 -2.94 114.58 116.27 2jmg h GLU 12 Ca -0.03 -0.04 0.04 0.00 -0.50 0.00 0.00 59.36 58.83 2jmg h GLU 12 Cb 0.65 -0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.51 2jmg h GLU 12 CO -0.03 0.46 0.58 -0.07 -1.40 0.00 0.00 179.01 178.55 2jmg h LEU 13 N 0.08 0.97 -0.76 1.33 3.38 -0.07 -1.11 115.31 119.13 2jmg h LEU 13 Ca 0.01 -0.01 0.17 0.00 0.09 0.00 0.00 57.88 58.14 2jmg h LEU 13 Cb 0.71 -0.22 -0.11 0.00 0.09 0.00 0.00 40.66 41.13 2jmg h LEU 13 CO 0.05 0.66 0.19 -0.78 0.09 0.00 0.00 178.44 178.65 2jmg h ASP 14 N 1.13 0.03 -0.01 -0.43 3.58 -1.15 0.30 116.42 119.86 2jmg h ASP 14 Ca 0.36 0.15 -0.20 0.00 0.42 0.00 0.00 57.03 57.76 2jmg h ASP 14 Cb 0.02 0.20 0.02 0.00 1.72 0.00 0.00 39.33 41.28 2jmg h ASP 14 CO -0.12 -0.04 -0.79 0.11 -2.88 0.00 0.00 179.24 175.51 2jmg h LYS 15 N 0.27 0.55 -0.85 0.28 1.57 -1.55 -2.13 116.57 114.72 2jmg h LYS 15 Ca 0.43 -0.58 0.08 0.00 -1.87 0.00 0.00 60.65 58.71 2jmg h LYS 15 Cb 0.76 0.16 -0.06 0.00 0.08 0.00 0.00 32.23 33.17 2jmg h LYS 15 CO -0.52 1.20 0.55 2.35 -0.57 0.00 0.00 179.45 182.46 2jmg h TRP 16 N 0.14 0.93 -0.00 -1.35 2.91 -0.02 0.38 115.95 118.94 2jmg h TRP 16 Ca -0.10 0.02 0.00 0.00 1.13 0.00 0.00 58.89 59.95 2jmg h TRP 16 Cb 1.47 -0.30 0.00 0.00 -0.51 0.00 0.00 29.16 29.82 2jmg h TRP 16 CO 0.13 0.47 -0.37 0.39 -1.03 0.00 0.00 178.44 178.02 2jmg n GLU 17 N -4.50 0.01 0.13 2.65 1.02 0.95 -3.58 120.64 117.32 2jmg n GLU 17 Ca 0.13 -0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.40 2jmg n GLU 17 Cb 0.24 -1.50 0.38 0.00 -0.02 0.00 0.00 31.44 30.55 2jmg n GLU 17 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 2jmg h LYS 18 N 0.01 0.00 -6.42 3.49 3.64 -0.21 -3.41 116.57 113.67 2jmg h LYS 18 Ca 0.00 0.00 -0.54 0.00 -1.27 0.00 0.00 60.65 58.84 2jmg h LYS 18 Cb 0.50 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.28 2jmg h LYS 18 CO 0.00 0.00 0.07 0.42 -2.27 0.00 0.00 179.45 177.67 2jmg s ILE 19 N -3.14 4.58 0.15 2.00 1.01 -1.10 -5.03 121.20 119.66 2jmg s ILE 19 Ca 0.09 1.38 -0.02 0.00 0.00 0.00 0.00 60.65 62.10 2jmg s ILE 19 Cb 0.11 -3.96 -0.05 0.00 0.01 0.00 0.00 42.46 38.57 2jmg s ILE 19 CO 0.59 0.45 0.35 -0.13 0.00 0.00 0.00 174.94 176.20 2jmg s ARG 20 N -1.37 3.54 0.02 2.79 0.52 -1.26 -2.46 118.95 120.74 2jmg s ARG 20 Ca 0.35 -0.26 -0.12 0.00 -0.52 0.00 0.00 55.73 55.17 2jmg s ARG 20 Cb -0.20 -2.88 -0.33 0.00 0.52 0.00 0.00 34.95 32.05 2jmg s ARG 20 CO 0.22 0.47 0.96 -0.07 0.02 0.00 0.00 175.30 176.90 2jmg h LEU 21 N 2.55 0.72 -9.89 2.53 3.38 -0.72 -2.11 115.31 111.78 2jmg h LEU 21 Ca -0.47 -0.82 -0.52 0.00 0.09 0.00 0.00 57.88 56.17 2jmg h LEU 21 Cb 1.17 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 41.63 2jmg h LEU 21 CO 0.71 1.65 -0.52 -0.13 0.09 0.00 0.00 178.44 180.25 2jmg s ARG 22 N -2.61 2.63 0.02 1.13 0.52 -1.26 -3.51 118.95 115.88 2jmg s ARG 22 Ca -0.09 -1.31 -0.22 0.00 -0.52 0.00 0.00 55.73 53.58 2jmg s ARG 22 Cb 0.05 -2.38 -0.17 0.00 0.52 0.00 0.00 34.95 32.97 2jmg s ARG 22 CO 0.92 0.21 1.31 -1.00 0.02 0.00 0.00 175.30 176.76 2jmg h PRO 23 N 1.47 0.22 -0.48 3.54 0.13 -1.90 -3.34 132.00 131.63 2jmg h PRO 23 Ca -0.45 -0.12 -0.35 0.00 -0.87 0.00 0.00 66.00 64.21 2jmg h PRO 23 Cb 1.25 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.11 2jmg h PRO 23 CO 0.60 0.65 -0.70 0.41 -0.23 0.00 0.00 178.00 178.73 2jmg n GLY 24 N 0.21 5.95 0.00 1.56 0.00 -1.26 -4.94 105.19 106.71 2jmg n GLY 24 Ca -0.07 -2.17 0.00 0.00 0.00 0.00 0.00 46.02 43.78 2jmg n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jmg n GLY 25 N -0.86 3.82 0.00 -0.02 0.00 -1.25 -5.06 105.19 101.82 2jmg n GLY 25 Ca 0.35 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 44.24 2jmg n GLY 25 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2jmg n LYS 26 N -0.31 -0.77 -2.82 1.61 4.81 -1.26 -4.92 118.16 114.50 2jmg n LYS 26 Ca 0.00 -0.41 -0.37 0.00 -0.87 0.00 0.00 58.31 56.66 2jmg n LYS 26 Cb 0.00 -0.90 -0.06 0.00 0.02 0.00 0.00 35.03 34.08 2jmg n LYS 26 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2jmg s LYS 27 N -0.01 4.56 0.21 1.64 1.02 -1.26 -4.98 119.74 120.93 2jmg s LYS 27 Ca 0.00 1.28 0.03 0.00 0.02 0.00 0.00 55.97 57.30 2jmg s LYS 27 Cb 0.00 -2.85 -0.01 0.00 -0.52 0.00 0.00 37.83 34.45 2jmg s LYS 27 CO 0.00 0.32 0.10 1.04 -0.92 0.00 0.00 175.35 175.88 2jmg n GLN 28 N 0.66 0.62 -3.45 1.68 6.02 -1.26 -0.04 117.38 121.61 2jmg n GLN 28 Ca 0.01 -1.84 -0.33 0.00 -0.01 0.00 0.00 57.00 54.83 2jmg n GLN 28 Cb 0.50 1.12 -0.05 0.00 1.02 0.00 0.00 30.24 32.83 2jmg n GLN 28 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 2jmg s TYR 29 N -2.45 3.47 0.20 1.08 2.02 -1.03 -4.65 117.35 115.98 2jmg s TYR 29 Ca 0.14 0.85 -0.03 0.00 -0.37 0.00 0.00 57.07 57.66 2jmg s TYR 29 Cb 0.01 -2.24 -0.03 0.00 -0.40 0.00 0.00 41.96 39.30 2jmg s TYR 29 CO 0.10 0.33 0.17 0.15 -1.57 0.00 0.00 175.55 174.73 2jmg s LYS 30 N -2.60 1.22 0.49 -0.62 1.02 -1.26 -4.12 119.74 113.87 2jmg s LYS 30 Ca 0.44 -1.55 0.32 0.00 0.02 0.00 0.00 55.97 55.19 2jmg s LYS 30 Cb -0.12 0.30 1.43 0.00 -0.52 0.00 0.00 37.83 38.91 2jmg s LYS 30 CO 0.21 -0.41 1.77 1.25 -0.92 0.00 0.00 175.35 177.25 2jmg h LEU 31 N 2.59 0.14 -1.10 3.17 5.85 -1.98 0.14 115.31 124.13 2jmg h LEU 31 Ca -0.35 0.03 0.31 0.00 0.84 0.00 0.00 57.88 58.72 2jmg h LEU 31 Cb 1.24 0.01 -0.13 0.00 0.37 0.00 0.00 40.66 42.16 2jmg h LEU 31 CO 0.51 0.01 0.62 0.11 -0.34 0.00 0.00 178.44 179.35 2jmg h LYS 32 N 0.12 0.36 0.08 1.25 1.57 -2.00 -0.38 116.57 117.57 2jmg h LYS 32 Ca 0.61 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 59.26 2jmg h LYS 32 Cb 2.16 -0.08 0.01 0.00 0.08 0.00 0.00 32.23 34.40 2jmg h LYS 32 CO -0.12 0.24 -0.46 0.45 -0.57 0.00 0.00 179.45 178.99 2jmg h HIS 33 N 0.37 0.32 -0.58 -1.35 3.86 -1.12 -2.21 115.15 114.44 2jmg h HIS 33 Ca 0.70 -0.23 0.17 0.00 -1.16 0.00 0.00 60.37 59.85 2jmg h HIS 33 Cb 1.63 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 30.06 2jmg h HIS 33 CO -0.01 1.17 0.49 0.82 0.86 0.00 0.00 177.93 181.26 2jmg h ILE 34 N -0.63 0.51 0.08 2.45 2.04 -1.14 0.31 117.51 121.13 2jmg h ILE 34 Ca -0.08 0.00 -0.24 0.00 1.00 0.00 0.00 64.86 65.54 2jmg h ILE 34 Cb 1.36 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 2jmg h ILE 34 CO 0.09 0.00 -1.25 0.58 0.00 0.00 0.00 178.15 177.57 2jmg h VAL 35 N 0.00 1.07 -0.52 1.67 2.07 -1.23 -3.17 116.25 116.14 2jmg h VAL 35 Ca 0.27 -2.35 -0.03 0.00 0.82 0.00 0.00 66.70 65.42 2jmg h VAL 35 Cb 1.25 2.67 -0.02 0.00 -1.52 0.00 0.00 31.29 33.67 2jmg h VAL 35 CO -0.00 0.62 0.19 -0.25 0.02 0.00 0.00 177.57 178.14 2jmg h TRP 36 N -0.51 0.76 0.50 1.57 7.01 -0.61 -2.42 115.95 122.25 2jmg h TRP 36 Ca -0.29 -0.04 -0.02 0.00 2.11 0.00 0.00 58.89 60.65 2jmg h TRP 36 Cb 1.59 -0.23 0.00 0.00 -2.10 0.00 0.00 29.16 28.43 2jmg h TRP 36 CO 0.13 0.60 -0.24 0.00 -2.79 0.00 0.00 178.44 176.14 2jmg h ALA 37 N 1.47 -0.68 -0.34 2.65 0.00 -0.58 0.33 119.26 122.11 2jmg h ALA 37 Ca 0.18 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 54.99 2jmg h ALA 37 Cb 0.18 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2jmg h ALA 37 CO -0.01 -0.71 0.42 1.03 0.00 0.00 0.00 179.25 179.98 2jmg h SER 38 N -1.02 0.00 0.07 0.00 0.87 -1.51 -0.92 113.55 111.04 2jmg h SER 38 Ca -0.07 0.00 -0.26 0.00 -1.23 0.00 0.00 61.79 60.23 2jmg h SER 38 Cb 0.60 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.55 2jmg h SER 38 CO 0.11 0.00 -1.40 -0.09 -0.53 0.00 0.00 176.83 174.92 2jmg h ARG 39 N 0.00 0.14 -0.24 2.24 2.43 -1.26 -3.33 114.38 114.37 2jmg h ARG 39 Ca 0.16 -0.24 0.05 0.00 -0.81 0.00 0.00 59.98 59.14 2jmg h ARG 39 Cb 1.00 0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 30.59 2jmg h ARG 39 CO -0.00 1.12 -0.10 1.49 -1.51 0.00 0.00 179.97 180.96 2jmg h GLU 40 N -0.53 -0.06 -0.96 0.20 4.57 0.93 -1.57 114.58 117.16 2jmg h GLU 40 Ca -0.33 0.00 0.16 0.00 -1.18 0.00 0.00 59.36 58.01 2jmg h GLU 40 Cb 1.60 0.01 -0.10 0.00 -0.16 0.00 0.00 28.75 30.11 2jmg h GLU 40 CO -0.04 -0.04 0.57 -0.07 -1.18 0.00 0.00 179.01 178.25 2jmg h LEU 41 N -0.06 0.76 -2.27 1.64 3.38 -1.43 0.32 115.31 117.65 2jmg h LEU 41 Ca 0.12 0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.22 2jmg h LEU 41 Cb 0.25 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2jmg h LEU 41 CO -0.28 0.32 0.17 -0.08 0.09 0.00 0.00 178.44 178.66 2jmg h GLU 42 N 0.79 0.00 0.00 1.13 4.57 -0.95 0.12 114.58 120.24 2jmg h GLU 42 Ca 0.53 0.00 -0.17 0.00 -1.18 0.00 0.00 59.36 58.54 2jmg h GLU 42 Cb 0.72 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.28 2jmg h GLU 42 CO -0.34 0.00 -1.10 -0.09 -1.18 0.00 0.00 179.01 176.30 2jmg h ARG 43 N 0.00 0.00 -1.14 1.92 2.43 -0.26 -3.32 114.38 114.01 2jmg h ARG 43 Ca 0.07 0.00 -0.39 0.00 -0.81 0.00 0.00 59.98 58.85 2jmg h ARG 43 Cb 0.40 0.00 -0.20 0.00 -0.42 0.00 0.00 29.97 29.75 2jmg h ARG 43 CO -0.00 0.47 0.50 1.19 -1.51 0.00 0.00 179.97 180.62 2jmg n PHE 44 N -3.07 2.11 -1.73 2.20 3.72 0.22 -4.83 117.46 116.08 2jmg n PHE 44 Ca -0.05 -1.81 -0.10 0.00 -0.05 0.00 0.00 57.45 55.43 2jmg n PHE 44 Cb 0.84 -0.90 -0.03 0.00 -0.94 0.00 0.00 39.48 38.45 2jmg n PHE 44 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2jmg n ALA 45 N -0.40 -0.40 -3.70 4.37 0.00 -1.17 -4.90 120.51 114.31 2jmg n ALA 45 Ca 0.41 0.13 -0.33 0.00 0.00 0.00 0.00 53.44 53.65 2jmg n ALA 45 Cb 1.00 -1.20 -0.16 0.00 0.00 0.00 0.00 19.45 19.10 2jmg n ALA 45 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2jmg s VAL 46 N -2.10 2.48 0.32 0.00 1.01 -0.09 -5.03 120.40 116.99 2jmg s VAL 46 Ca 0.00 -0.82 -0.29 0.00 0.00 0.00 0.00 61.98 60.87 2jmg s VAL 46 Cb 0.00 -2.05 -0.10 0.00 0.00 0.00 0.00 36.38 34.23 2jmg s VAL 46 CO 0.00 0.52 1.27 0.20 0.00 0.00 0.00 175.10 177.08 2jmg s ASN 47 N 1.05 6.86 0.00 3.32 0.01 -1.26 -2.45 114.94 122.47 2jmg s ASN 47 Ca -0.01 2.61 0.15 0.00 -0.71 0.00 0.00 52.86 54.90 2jmg s ASN 47 Cb -0.14 -2.65 0.79 0.00 0.41 0.00 0.00 41.25 39.66 2jmg s ASN 47 CO -0.05 -0.46 1.39 -0.81 -1.51 0.00 0.00 177.10 175.66 2jmg n PRO 48 N 0.88 0.28 0.00 -0.60 -0.04 -1.26 -2.90 135.00 131.35 2jmg n PRO 48 Ca -0.00 0.11 0.08 0.00 -0.04 0.00 0.00 63.50 63.65 2jmg n PRO 48 Cb 0.42 -1.50 0.43 0.00 -0.04 0.00 0.00 33.50 32.82 2jmg n PRO 48 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jmg n GLY 49 N -0.04 -0.79 0.00 0.55 0.00 -1.26 -2.36 105.19 101.29 2jmg n GLY 49 Ca 0.08 -0.08 0.15 0.00 0.00 0.00 0.00 46.02 46.17 2jmg n GLY 49 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2jmg n LEU 50 N -1.24 0.00 0.04 0.99 4.77 -1.14 -2.92 117.00 117.49 2jmg n LEU 50 Ca 0.09 0.21 0.12 0.00 -0.03 0.00 0.00 56.01 56.39 2jmg n LEU 50 Cb 0.12 -0.21 0.19 0.00 -2.33 0.00 0.00 43.42 41.19 2jmg n LEU 50 CO 0.12 -0.00 0.36 0.18 -1.33 0.00 0.00 177.39 176.72 2jmg n LEU 51 N -1.21 0.62 -2.29 2.23 4.77 -1.00 -2.88 117.00 117.24 2jmg n LEU 51 Ca 0.17 0.15 -0.31 0.00 -0.03 0.00 0.00 56.01 55.98 2jmg n LEU 51 Cb 0.20 -0.20 0.11 0.00 -2.33 0.00 0.00 43.42 41.21 2jmg n LEU 51 CO 0.22 0.01 1.40 -1.84 -1.33 0.00 0.00 177.39 175.84 2jmg n GLU 52 N -1.91 2.55 -3.37 3.23 0.28 -1.15 -4.83 120.64 115.44 2jmg n GLU 52 Ca 0.04 -3.21 0.00 0.00 -0.16 0.00 0.00 57.16 53.84 2jmg n GLU 52 Cb 0.41 -2.25 -0.03 0.00 1.43 0.00 0.00 31.44 30.99 2jmg n GLU 52 CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 2jmg s THR 53 N -4.34 -0.95 0.40 3.84 -4.23 -1.25 -5.02 115.64 104.09 2jmg s THR 53 Ca 0.62 0.01 0.17 0.00 -1.18 0.00 0.00 61.69 61.31 2jmg s THR 53 Cb 0.50 -0.96 0.38 0.00 1.34 0.00 0.00 72.50 73.76 2jmg s THR 53 CO 0.03 -0.01 1.82 0.77 -0.54 0.00 0.00 174.62 176.69 2jmg h SER 54 N 8.03 0.45 1.18 3.99 4.64 -1.88 0.62 113.55 130.56 2jmg h SER 54 Ca -0.20 0.06 -0.08 0.00 -0.47 0.00 0.00 61.79 61.09 2jmg h SER 54 Cb 1.14 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.19 2jmg h SER 54 CO 0.20 0.15 -0.38 -0.08 -0.87 0.00 0.00 176.83 175.84 2jmg h GLU 55 N 0.43 0.00 0.05 4.77 4.81 -1.95 -3.31 114.58 119.38 2jmg h GLU 55 Ca 0.52 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.75 2jmg h GLU 55 Cb 1.28 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.66 2jmg h GLU 55 CO -0.23 0.38 -0.02 0.78 -0.73 0.00 0.00 179.01 179.19 2jmg h GLY 56 N 2.73 -0.07 0.22 1.92 0.00 -0.00 -2.16 103.07 105.72 2jmg h GLY 56 Ca -0.00 0.03 0.21 0.00 0.00 0.00 0.00 47.33 47.56 2jmg h GLY 56 CO 0.05 -0.03 0.69 0.00 0.00 0.00 0.00 176.54 177.25 2jmg h ARG 58 N 0.00 0.30 -0.02 0.00 2.43 -1.64 -3.33 114.38 112.13 2jmg h ARG 58 Ca 0.34 -0.52 -0.08 0.00 -0.81 0.00 0.00 59.98 58.91 2jmg h ARG 58 Cb 1.71 0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 31.44 2jmg h ARG 58 CO -0.00 1.20 -0.39 0.37 -1.51 0.00 0.00 179.97 179.64 2jmg h GLN 59 N 0.08 0.04 -0.38 0.20 4.15 0.11 -3.01 115.11 116.31 2jmg h GLN 59 Ca -0.35 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.02 2jmg h GLN 59 Cb 2.06 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 29.73 2jmg h GLN 59 CO 0.14 0.43 0.13 0.82 -1.93 0.00 0.00 178.83 178.41 2jmg h ILE 60 N 0.04 1.21 -0.13 2.39 2.04 -0.84 -2.52 117.51 119.69 2jmg h ILE 60 Ca 0.00 -0.66 -0.01 0.00 1.00 0.00 0.00 64.86 65.19 2jmg h ILE 60 Cb 0.70 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 37.71 2jmg h ILE 60 CO 0.05 0.23 0.05 -0.07 0.00 0.00 0.00 178.15 178.42 2jmg h LEU 61 N 0.46 0.15 -0.66 1.44 3.38 -1.63 -1.75 115.31 116.71 2jmg h LEU 61 Ca 0.12 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.94 2jmg h LEU 61 Cb 0.24 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2jmg h LEU 61 CO -0.01 0.14 -0.58 1.23 0.09 0.00 0.00 178.44 179.32 2jmg h GLY 62 N 0.26 0.31 1.89 0.83 0.00 -1.40 0.26 103.07 105.20 2jmg h GLY 62 Ca 0.05 -0.37 -0.18 0.00 0.00 0.00 0.00 47.33 46.83 2jmg h GLY 62 CO -0.01 0.33 -0.81 -1.61 0.00 0.00 0.00 176.54 174.44 2jmg h GLN 63 N 0.21 0.10 0.00 4.80 4.15 -0.98 -3.20 115.11 120.19 2jmg h GLN 63 Ca -0.00 -0.11 0.00 0.00 0.77 0.00 0.00 58.65 59.31 2jmg h GLN 63 Cb 1.08 0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.80 2jmg h GLN 63 CO 0.09 0.85 -1.03 1.28 -1.93 0.00 0.00 178.83 178.09 2jmg n LEU 64 N -3.65 0.80 -0.05 -2.39 4.77 -0.81 -4.28 117.00 111.38 2jmg n LEU 64 Ca -0.02 0.30 -0.11 0.00 -0.03 0.00 0.00 56.01 56.15 2jmg n LEU 64 Cb 0.77 -0.06 -0.05 0.00 -2.33 0.00 0.00 43.42 41.75 2jmg n LEU 64 CO 0.46 -0.17 0.60 -0.61 -1.33 0.00 0.00 177.39 176.34 2jmg h GLN 65 N 0.00 -0.39 0.00 3.23 -0.00 -0.47 0.33 115.11 117.81 2jmg h GLN 65 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.68 2jmg h GLN 65 Cb 0.98 0.09 0.00 0.00 0.00 0.00 0.00 27.48 28.55 2jmg h GLN 65 CO 0.00 -0.26 0.00 -0.35 0.00 0.00 0.00 178.83 178.22 2jmg n PRO 66 N -5.42 0.24 -0.01 -2.39 -0.04 -1.26 -2.04 135.00 124.08 2jmg n PRO 66 Ca -0.02 0.13 0.09 0.00 -0.04 0.00 0.00 63.50 63.66 2jmg n PRO 66 Cb 0.35 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.18 2jmg n PRO 66 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2jmg n SER 67 N -1.26 0.75 0.27 3.54 7.64 0.83 -4.34 113.62 121.05 2jmg n SER 67 Ca 0.07 -0.29 0.17 0.00 1.01 0.00 0.00 58.87 59.84 2jmg n SER 67 Cb 0.11 1.59 0.84 0.00 -1.01 0.00 0.00 64.21 65.75 2jmg n SER 67 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2jmg h LEU 68 N 0.00 0.00 -0.74 -3.43 3.38 -0.01 0.38 115.31 114.89 2jmg h LEU 68 Ca 0.00 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.10 2jmg h LEU 68 Cb 0.73 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.39 2jmg h LEU 68 CO 0.00 0.00 0.32 -0.61 0.09 0.00 0.00 178.44 178.24 2jmg h GLN 69 N 0.00 0.47 0.00 1.13 4.15 -1.76 -3.36 115.11 115.74 2jmg h GLN 69 Ca 0.05 -0.03 -0.18 0.00 0.77 0.00 0.00 58.65 59.26 2jmg h GLN 69 Cb 0.67 -0.11 -0.14 0.00 0.21 0.00 0.00 27.48 28.12 2jmg h GLN 69 CO -0.00 0.31 -0.25 2.41 -1.93 0.00 0.00 178.83 179.37 2jmg n THR 70 N -4.96 0.00 -0.37 2.39 -1.04 -0.54 -4.98 114.28 104.78 2jmg n THR 70 Ca 0.13 -1.15 -0.14 0.00 -2.04 0.00 0.00 64.05 60.85 2jmg n THR 70 Cb 0.38 0.93 0.09 0.00 -1.82 0.00 0.00 70.33 69.90 2jmg n THR 70 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2jmg n GLY 71 N -0.91 3.56 1.52 3.41 0.00 0.12 -5.00 105.19 107.90 2jmg n GLY 71 Ca -0.11 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.18 2jmg n GLY 71 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jmg n SER 72 N -0.28 -8.18 0.27 1.61 3.41 -1.26 -3.01 113.62 106.18 2jmg n SER 72 Ca 0.33 1.68 0.18 0.00 -0.26 0.00 0.00 58.87 60.79 2jmg n SER 72 Cb 1.03 -4.80 0.86 0.00 -0.26 0.00 0.00 64.21 61.04 2jmg n SER 72 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2jmg h GLU 73 N 0.47 0.00 -0.78 4.33 4.81 -1.99 -0.00 114.58 121.43 2jmg h GLU 73 Ca 0.00 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 2jmg h GLU 73 Cb 0.73 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.07 2jmg h GLU 73 CO 0.00 0.00 0.41 0.93 -0.73 0.00 0.00 179.01 179.62 2jmg h GLU 74 N 0.00 1.09 -0.35 1.92 5.08 -2.02 -2.64 114.58 117.67 2jmg h GLU 74 Ca 0.05 -0.13 -0.15 0.00 -1.00 0.00 0.00 59.36 58.12 2jmg h GLU 74 Cb 0.62 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 2jmg h GLU 74 CO -0.00 0.82 -0.38 1.25 -1.00 0.00 0.00 179.01 179.70 2jmg h LEU 75 N 1.10 0.93 -0.36 1.33 6.46 -0.89 -3.19 115.31 120.68 2jmg h LEU 75 Ca 0.27 -0.48 0.07 0.00 -0.12 0.00 0.00 57.88 57.63 2jmg h LEU 75 Cb 0.06 -0.26 -0.07 0.00 -0.73 0.00 0.00 40.66 39.66 2jmg h LEU 75 CO -0.04 1.22 -0.07 0.03 -0.62 0.00 0.00 178.44 178.96 2jmg h ARG 76 N 0.66 0.02 -0.68 1.25 3.08 -1.48 -1.53 114.38 115.70 2jmg h ARG 76 Ca 0.05 -0.00 0.11 0.00 0.07 0.00 0.00 59.98 60.21 2jmg h ARG 76 Cb 0.97 -0.01 -0.08 0.00 0.08 0.00 0.00 29.97 30.93 2jmg h ARG 76 CO 0.09 0.02 0.28 0.77 -1.07 0.00 0.00 179.97 180.05 2jmg h SER 77 N 0.02 0.29 0.06 7.04 0.02 -1.50 -2.12 113.55 117.36 2jmg h SER 77 Ca 0.18 0.08 0.02 0.00 -0.84 0.00 0.00 61.79 61.23 2jmg h SER 77 Cb 0.26 0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.82 2jmg h SER 77 CO -0.36 0.15 -0.21 -0.07 -1.14 0.00 0.00 176.83 175.20 2jmg h LEU 78 N 0.46 -0.61 -0.61 5.07 -0.00 -1.29 0.72 115.31 119.05 2jmg h LEU 78 Ca 0.35 0.08 0.13 0.00 -0.00 0.00 0.00 57.88 58.43 2jmg h LEU 78 Cb 0.45 0.24 -0.10 0.00 -0.00 0.00 0.00 40.66 41.25 2jmg h LEU 78 CO -0.33 -0.29 0.03 0.22 -0.00 0.00 0.00 178.44 178.07 2jmg h TYR 79 N -0.37 0.01 0.00 1.13 5.03 -0.86 0.51 116.97 122.43 2jmg h TYR 79 Ca 0.04 0.04 -0.03 0.00 2.58 0.00 0.00 58.73 61.36 2jmg h TYR 79 Cb 0.42 0.09 -0.00 0.00 1.55 0.00 0.00 36.73 38.78 2jmg h TYR 79 CO -0.23 -0.14 -0.15 -0.91 -1.32 0.00 0.00 178.16 175.41 2jmg h ASN 80 N 0.15 0.00 0.00 -2.11 2.35 -0.96 -2.38 115.58 112.63 2jmg h ASN 80 Ca 0.32 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.07 2jmg h ASN 80 Cb 0.52 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.89 2jmg h ASN 80 CO -0.50 0.15 -0.01 0.74 -1.65 0.00 0.00 177.43 176.15 2jmg h THR 81 N 0.00 0.00 -1.07 2.81 2.02 0.22 -3.28 112.91 113.61 2jmg h THR 81 Ca -0.00 -0.31 0.28 0.00 0.77 0.00 0.00 66.41 67.15 2jmg h THR 81 Cb 0.57 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.88 2jmg h THR 81 CO 0.02 0.00 0.69 0.40 0.37 0.00 0.00 175.52 177.00 2jmg h ILE 82 N -0.31 0.49 -0.55 3.11 2.04 -0.43 0.50 117.51 122.36 2jmg h ILE 82 Ca 0.00 -0.12 0.04 0.00 1.00 0.00 0.00 64.86 65.78 2jmg h ILE 82 Cb 0.01 0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 36.17 2jmg h ILE 82 CO 0.00 0.06 0.36 0.00 0.00 0.00 0.00 178.15 178.58 2jmg h ALA 83 N 1.61 1.75 0.00 1.87 0.00 -1.57 0.26 119.26 123.18 2jmg h ALA 83 Ca 0.61 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 55.34 2jmg h ALA 83 Cb 1.62 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 19.22 2jmg h ALA 83 CO -0.30 0.18 -0.73 0.28 0.00 0.00 0.00 179.25 178.68 2jmg h VAL 84 N 0.61 1.33 0.21 0.00 2.07 -0.06 -3.29 116.25 117.12 2jmg h VAL 84 Ca 0.22 -2.69 -0.32 0.00 0.82 0.00 0.00 66.70 64.73 2jmg h VAL 84 Cb 0.13 2.53 0.03 0.00 -1.52 0.00 0.00 31.29 32.46 2jmg h VAL 84 CO -0.06 0.72 -1.40 0.25 0.02 0.00 0.00 177.57 177.10 2jmg h LEU 85 N 0.00 0.75 -0.79 2.57 5.85 -0.76 -3.27 115.31 119.67 2jmg h LEU 85 Ca -0.01 -0.79 0.15 0.00 0.84 0.00 0.00 57.88 58.08 2jmg h LEU 85 Cb 1.47 -0.24 -0.10 0.00 0.37 0.00 0.00 40.66 42.16 2jmg h LEU 85 CO 0.10 1.61 0.34 0.22 -0.34 0.00 0.00 178.44 180.37 2jmg h TYR 86 N 0.14 0.59 0.00 1.25 3.20 -0.61 0.31 116.97 121.85 2jmg h TYR 86 Ca -0.22 0.04 -0.05 0.00 3.14 0.00 0.00 58.73 61.63 2jmg h TYR 86 Cb 2.10 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 40.22 2jmg h TYR 86 CO 0.11 0.08 -0.26 0.00 -1.64 0.00 0.00 178.16 176.46 2jmg h VAL 88 N 0.00 0.83 0.00 0.00 2.07 -0.44 0.26 116.25 118.97 2jmg h VAL 88 Ca -0.00 -1.23 -0.03 0.00 0.82 0.00 0.00 66.70 66.25 2jmg h VAL 88 Cb 0.59 1.75 -0.01 0.00 -1.52 0.00 0.00 31.29 32.11 2jmg h VAL 88 CO 0.03 0.30 -1.92 1.41 0.02 0.00 0.00 177.57 177.41 2jmg n HIS 89 N -3.62 0.12 0.34 1.57 8.25 -0.93 -4.19 115.22 116.75 2jmg n HIS 89 Ca -0.01 0.03 0.09 0.00 -0.26 0.00 0.00 57.72 57.58 2jmg n HIS 89 Cb 0.43 -0.60 0.25 0.00 1.12 0.00 0.00 29.99 31.19 2jmg n HIS 89 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 2jmg n GLN 90 N -2.35 2.24 -3.18 -0.41 1.13 -0.50 -4.85 117.38 109.46 2jmg n GLN 90 Ca -0.06 -1.92 -0.14 0.00 -1.94 0.00 0.00 57.00 52.94 2jmg n GLN 90 Cb 0.62 -1.42 0.07 0.00 0.11 0.00 0.00 30.24 29.62 2jmg n GLN 90 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2jmg n ARG 91 N 1.06 -4.87 -4.78 -1.09 5.12 -1.00 -5.03 116.66 106.07 2jmg n ARG 91 Ca 0.18 0.73 -0.26 0.00 -1.93 0.00 0.00 57.85 56.57 2jmg n ARG 91 Cb 0.46 -5.35 -0.16 0.00 -1.16 0.00 0.00 32.46 26.24 2jmg n ARG 91 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 2jmg s ILE 92 N -3.31 1.38 -0.32 0.55 1.01 0.87 -5.05 121.20 116.32 2jmg s ILE 92 Ca 0.09 -0.67 -0.15 0.00 0.00 0.00 0.00 60.65 59.92 2jmg s ILE 92 Cb -0.01 -1.20 -0.02 0.00 0.01 0.00 0.00 42.46 41.23 2jmg s ILE 92 CO 0.63 0.40 0.35 -0.62 0.00 0.00 0.00 174.94 175.70 2jmg s ASP 93 N 0.24 6.18 -0.14 3.58 2.15 -1.26 -4.32 116.67 123.09 2jmg s ASP 93 Ca -0.08 -0.12 -0.06 0.00 0.43 0.00 0.00 52.55 52.72 2jmg s ASP 93 Cb -0.13 -2.19 -0.04 0.00 -0.30 0.00 0.00 42.92 40.26 2jmg s ASP 93 CO 0.03 -0.29 0.08 0.68 -0.17 0.00 0.00 175.17 175.50 2jmg s VAL 94 N 2.01 5.01 -0.13 1.11 -7.23 -1.26 -4.99 120.40 114.93 2jmg s VAL 94 Ca 0.12 0.03 0.22 0.00 -1.81 0.00 0.00 61.98 60.55 2jmg s VAL 94 Cb -0.16 -3.20 0.24 0.00 0.56 0.00 0.00 36.38 33.81 2jmg s VAL 94 CO 0.11 0.54 1.68 0.50 -0.31 0.00 0.00 175.10 177.62 2jmg h LYS 95 N 5.78 0.00 -2.30 4.82 1.63 -1.94 -3.43 116.57 121.14 2jmg h LYS 95 Ca -0.46 0.00 0.28 0.00 -0.85 0.00 0.00 60.65 59.61 2jmg h LYS 95 Cb 1.19 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 32.77 2jmg h LYS 95 CO 0.64 0.20 0.79 0.16 -3.45 0.00 0.00 179.45 177.79 2jmg s ASP 96 N -6.20 0.01 0.11 4.20 1.47 -1.26 -4.08 116.67 110.91 2jmg s ASP 96 Ca 0.04 -0.38 -0.34 0.00 1.18 0.00 0.00 52.55 53.05 2jmg s ASP 96 Cb 0.08 0.28 -0.13 0.00 -0.34 0.00 0.00 42.92 42.80 2jmg s ASP 96 CO 0.66 -0.55 1.57 0.74 0.68 0.00 0.00 175.17 178.27 2jmg h THR 97 N 2.00 0.05 -0.01 2.11 2.02 -1.41 -1.95 112.91 115.72 2jmg h THR 97 Ca -0.24 0.00 0.03 0.00 0.77 0.00 0.00 66.41 66.97 2jmg h THR 97 Cb 1.20 0.05 -0.04 0.00 -1.74 0.00 0.00 68.15 67.62 2jmg h THR 97 CO 0.33 0.00 -0.19 0.50 0.37 0.00 0.00 175.52 176.54 2jmg h LYS 98 N -0.76 -0.29 -0.96 6.66 3.11 -1.90 -2.00 116.57 120.43 2jmg h LYS 98 Ca -0.00 0.02 0.31 0.00 -2.81 0.00 0.00 60.65 58.17 2jmg h LYS 98 Cb 0.75 0.07 -0.16 0.00 -1.00 0.00 0.00 32.23 31.89 2jmg h LYS 98 CO -0.25 -0.19 0.36 1.49 -2.81 0.00 0.00 179.45 178.05 2jmg h GLU 99 N -0.30 0.15 -0.17 1.90 4.57 -1.88 0.36 114.58 119.21 2jmg h GLU 99 Ca 0.06 -0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.25 2jmg h GLU 99 Cb 0.37 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.91 2jmg h GLU 99 CO -0.18 0.10 0.04 0.00 -1.18 0.00 0.00 179.01 177.79 2jmg h ALA 100 N 1.89 0.17 0.66 2.92 0.00 -0.58 0.72 119.26 125.05 2jmg h ALA 100 Ca 0.68 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.59 2jmg h ALA 100 Cb 1.56 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.38 2jmg h ALA 100 CO -0.72 -0.40 -0.43 -0.07 0.00 0.00 0.00 179.25 177.63 2jmg h LEU 101 N 0.11 -1.09 -2.03 0.00 3.38 -0.22 0.19 115.31 115.66 2jmg h LEU 101 Ca 0.08 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2jmg h LEU 101 Cb 0.06 0.32 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2jmg h LEU 101 CO -0.10 -0.65 0.08 -0.78 0.09 0.00 0.00 178.44 177.09 2jmg h ASP 102 N -1.03 0.00 0.00 -0.43 1.82 -1.32 -2.02 116.42 113.44 2jmg h ASP 102 Ca -0.09 0.00 -0.03 0.00 -0.39 0.00 0.00 57.03 56.53 2jmg h ASP 102 Cb 0.83 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.84 2jmg h ASP 102 CO 0.08 0.00 -0.21 0.11 -1.61 0.00 0.00 179.24 177.61 2jmg h LYS 103 N 0.00 0.00 -0.56 0.28 1.79 0.12 -2.90 116.57 115.31 2jmg h LYS 103 Ca 0.00 0.00 0.11 0.00 -2.18 0.00 0.00 60.65 58.58 2jmg h LYS 103 Cb 0.15 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.77 2jmg h LYS 103 CO 0.00 0.46 0.38 0.82 -1.08 0.00 0.00 179.45 180.03 2jmg h ILE 104 N -1.00 0.86 -0.15 1.86 2.04 -0.17 -0.19 117.51 120.77 2jmg h ILE 104 Ca -0.04 -0.10 -0.17 0.00 1.00 0.00 0.00 64.86 65.54 2jmg h ILE 104 Cb 0.56 0.53 0.01 0.00 -0.74 0.00 0.00 36.82 37.18 2jmg h ILE 104 CO -0.02 0.05 -0.58 -0.08 0.00 0.00 0.00 178.15 177.52 2jmg h GLU 105 N 0.30 0.66 -0.59 2.37 4.22 -1.51 -3.11 114.58 116.92 2jmg h GLU 105 Ca 0.26 -0.51 -0.09 0.00 0.08 0.00 0.00 59.36 59.11 2jmg h GLU 105 Cb 0.63 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 2jmg h GLU 105 CO -0.06 1.13 0.03 0.93 -2.18 0.00 0.00 179.01 178.86 2jmg h GLU 106 N 0.33 1.01 0.00 1.92 5.08 -1.04 -1.44 114.58 120.44 2jmg h GLU 106 Ca -0.03 -0.29 -0.01 0.00 -1.00 0.00 0.00 59.36 58.03 2jmg h GLU 106 Cb 1.22 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.36 2jmg h GLU 106 CO 0.12 0.97 -0.05 1.49 -1.00 0.00 0.00 179.01 180.54 2jmg h GLU 107 N 0.94 0.00 0.11 2.33 4.57 -1.10 0.33 114.58 121.75 2jmg h GLU 107 Ca 0.18 0.00 -0.32 0.00 -1.18 0.00 0.00 59.36 58.03 2jmg h GLU 107 Cb 0.50 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.07 2jmg h GLU 107 CO 0.02 0.05 -1.69 1.96 -1.18 0.00 0.00 179.01 178.18 2jmg h GLN 108 N 0.00 0.24 -0.29 1.92 1.08 -1.36 -3.27 115.11 113.44 2jmg h GLN 108 Ca -0.00 -0.41 -0.15 0.00 -1.45 0.00 0.00 58.65 56.63 2jmg h GLN 108 Cb 0.12 0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.70 2jmg h GLN 108 CO 0.01 1.08 -0.44 -0.91 -0.95 0.00 0.00 178.83 177.62 2jmg h ASN 109 N 0.07 0.80 0.36 1.46 4.21 -0.70 -2.92 115.58 118.85 2jmg h ASN 109 Ca -0.30 -0.38 -0.05 0.00 1.21 0.00 0.00 56.30 56.78 2jmg h ASN 109 Cb 2.03 -0.22 -0.01 0.00 -1.12 0.00 0.00 38.32 39.00 2jmg h ASN 109 CO 0.14 1.12 -0.24 0.50 -1.29 0.00 0.00 177.43 177.66 2jmg h LYS 110 N 0.59 0.00 -0.97 0.81 3.64 -1.09 -2.31 116.57 117.24 2jmg h LYS 110 Ca 0.04 0.00 -0.43 0.00 -1.27 0.00 0.00 60.65 58.99 2jmg h LYS 110 Cb 1.00 0.00 -0.25 0.00 -0.41 0.00 0.00 32.23 32.56 2jmg h LYS 110 CO 0.09 0.24 0.54 0.45 -2.27 0.00 0.00 179.45 178.51 2jmg n SER 111 N -3.97 3.82 -0.13 4.20 2.88 -1.11 -4.29 113.62 115.03 2jmg n SER 111 Ca -0.02 -3.40 -0.24 0.00 -1.33 0.00 0.00 58.87 53.89 2jmg n SER 111 Cb 0.32 -0.79 -0.10 0.00 -0.75 0.00 0.00 64.21 62.88 2jmg n SER 111 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2jmg n LYS 112 N -0.85 0.58 -0.06 -1.46 0.00 -0.87 -4.44 118.16 111.05 2jmg n LYS 112 Ca 0.52 0.20 0.12 0.00 0.00 0.00 0.00 58.31 59.15 2jmg n LYS 112 Cb 1.52 -1.45 0.52 0.00 0.00 0.00 0.00 35.03 35.62 2jmg n LYS 112 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 2jmg h LYS 113 N -0.55 0.36 -0.37 1.64 3.64 -1.75 -0.09 116.57 119.44 2jmg h LYS 113 Ca -0.62 -0.02 0.07 0.00 -1.27 0.00 0.00 60.65 58.81 2jmg h LYS 113 Cb 1.69 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 33.41 2jmg h LYS 113 CO -0.27 0.24 0.26 0.87 -2.27 0.00 0.00 179.45 178.27 2jmg h LYS 114 N 0.37 0.20 -0.95 1.90 1.57 -1.82 0.15 116.57 118.00 2jmg h LYS 114 Ca 0.26 -0.01 -0.38 0.00 -1.87 0.00 0.00 60.65 58.65 2jmg h LYS 114 Cb 0.54 -0.04 -0.22 0.00 0.08 0.00 0.00 32.23 32.58 2jmg h LYS 114 CO -0.07 0.13 0.48 0.00 -0.57 0.00 0.00 179.45 179.42 2jmg n ALA 115 N -2.55 4.93 -0.07 3.86 0.00 -0.05 -4.11 120.51 122.53 2jmg n ALA 115 Ca 0.05 -2.35 -0.06 0.00 0.00 0.00 0.00 53.44 51.08 2jmg n ALA 115 Cb 0.30 -1.34 -0.11 0.00 0.00 0.00 0.00 19.45 18.30 2jmg n ALA 115 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2jmg n GLN 116 N -0.69 1.69 0.20 0.00 7.27 0.04 -4.44 117.38 121.45 2jmg n GLN 116 Ca 0.47 -0.01 0.16 0.00 0.07 0.00 0.00 57.00 57.69 2jmg n GLN 116 Cb 1.44 -1.35 0.81 0.00 2.41 0.00 0.00 30.24 33.55 2jmg n GLN 116 CO 0.00 0.00 0.00 -0.56 0.07 0.00 0.00 177.06 176.57 2jmg h GLN 117 N 0.00 0.00 -0.92 3.69 3.07 -1.71 -0.00 115.11 119.23 2jmg h GLN 117 Ca -0.36 0.00 -0.55 0.00 0.09 0.00 0.00 58.65 57.83 2jmg h GLN 117 Cb 1.80 0.00 -0.29 0.00 0.08 0.00 0.00 27.48 29.07 2jmg h GLN 117 CO 0.02 0.00 0.58 0.00 0.09 0.00 0.00 178.83 179.52 2jmg n ALA 118 N -2.38 5.74 -2.16 0.06 0.00 -1.26 -4.31 120.51 116.20 2jmg n ALA 118 Ca 0.01 -3.21 -0.02 0.00 0.00 0.00 0.00 53.44 50.23 2jmg n ALA 118 Cb 0.30 -1.44 0.01 0.00 0.00 0.00 0.00 19.45 18.32 2jmg n ALA 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jmg n ALA 119 N -1.03 0.05 -2.32 0.00 0.00 -0.05 -4.99 120.51 112.18 2jmg n ALA 119 Ca 0.58 -0.31 -0.03 0.00 0.00 0.00 0.00 53.44 53.67 2jmg n ALA 119 Cb 1.16 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 20.15 2jmg n ALA 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jmg n ALA 120 N -0.30 3.23 -2.11 0.00 0.00 -0.98 -4.93 120.51 115.42 2jmg n ALA 120 Ca -0.08 -1.20 -0.00 0.00 0.00 0.00 0.00 53.44 52.16 2jmg n ALA 120 Cb 0.53 -0.56 0.10 0.00 0.00 0.00 0.00 19.45 19.52 2jmg n ALA 120 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2jmg n ASP 121 N -0.36 1.99 -4.80 0.00 -0.08 -1.26 -5.03 116.55 107.00 2jmg n ASP 121 Ca -0.17 -3.05 -0.29 0.00 -1.51 0.00 0.00 54.79 49.77 2jmg n ASP 121 Cb 0.83 -0.42 0.11 0.00 2.34 0.00 0.00 41.12 43.98 2jmg n ASP 121 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 2jmg s THR 122 N -2.52 2.45 -0.53 5.18 -4.23 -1.26 -4.88 115.64 109.85 2jmg s THR 122 Ca 0.37 0.15 -0.26 0.00 -1.18 0.00 0.00 61.69 60.77 2jmg s THR 122 Cb 0.38 -2.92 -0.08 0.00 1.34 0.00 0.00 72.50 71.22 2jmg s THR 122 CO -0.08 -0.19 2.44 0.61 -0.54 0.00 0.00 174.62 176.86 2jmg n GLY 123 N -2.28 0.13 3.32 3.99 0.00 -1.26 -4.91 105.19 104.19 2jmg n GLY 123 Ca 0.07 0.68 -0.17 0.00 0.00 0.00 0.00 46.02 46.60 2jmg n GLY 123 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2jmg s ASN 124 N 12.07 2.18 -0.10 1.61 -0.87 -1.26 -5.16 114.94 123.41 2jmg s ASN 124 Ca 1.01 -1.09 -0.05 0.00 -1.57 0.00 0.00 52.86 51.16 2jmg s ASN 124 Cb -0.24 -0.07 0.05 0.00 -0.02 0.00 0.00 41.25 40.97 2jmg s ASN 124 CO 0.28 -0.33 0.24 0.54 -2.57 0.00 0.00 177.10 175.26 2jmg s ASN 125 N -3.28 -0.20 -0.30 -1.22 4.22 -1.26 -5.12 114.94 107.78 2jmg s ASN 125 Ca 0.23 0.52 -0.04 0.00 -2.14 0.00 0.00 52.86 51.42 2jmg s ASN 125 Cb 0.02 0.42 0.19 0.00 1.28 0.00 0.00 41.25 43.16 2jmg s ASN 125 CO 0.06 -0.17 0.82 -0.55 -2.04 0.00 0.00 177.10 175.22 2jmg s SER 126 N 1.36 -0.99 0.00 3.54 0.15 -1.26 -5.03 113.70 111.48 2jmg s SER 126 Ca -0.08 0.31 0.07 0.00 0.70 0.00 0.00 55.95 56.94 2jmg s SER 126 Cb -0.11 1.70 0.12 0.00 -1.71 0.00 0.00 66.02 66.02 2jmg s SER 126 CO -0.08 -0.18 1.00 1.67 1.20 0.00 0.00 173.24 176.85 2jmg n GLN 127 N 5.35 0.00 -3.59 5.44 7.27 -1.26 -5.12 117.38 125.47 2jmg n GLN 127 Ca 0.02 -1.18 -0.16 0.00 0.07 0.00 0.00 57.00 55.75 2jmg n GLN 127 Cb 0.54 0.29 -0.07 0.00 2.41 0.00 0.00 30.24 33.41 2jmg n GLN 127 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 2jmg s VAL 128 N 0.00 0.01 0.64 1.69 0.11 -1.26 -5.18 120.40 116.41 2jmg s VAL 128 Ca 0.09 -0.06 -0.01 0.00 -2.93 0.00 0.00 61.98 59.07 2jmg s VAL 128 Cb 0.10 -0.93 0.07 0.00 -1.53 0.00 0.00 36.38 34.10 2jmg s VAL 128 CO -0.05 -0.03 0.89 -0.44 -3.33 0.00 0.00 175.10 172.14 2jmg s SER 129 N -0.81 4.84 -0.11 3.54 0.01 -1.26 -5.04 113.70 114.86 2jmg s SER 129 Ca -0.08 -0.10 0.11 0.00 1.31 0.00 0.00 55.95 57.19 2jmg s SER 129 Cb -0.02 -0.55 -0.16 0.00 0.21 0.00 0.00 66.02 65.51 2jmg s SER 129 CO 0.07 -1.49 0.06 0.00 0.41 0.00 0.00 173.24 172.29 2jmg n GLN 130 N -2.62 1.88 -0.11 12.44 10.64 -1.26 -4.78 117.38 133.58 2jmg n GLN 130 Ca 0.11 -0.01 -0.21 0.00 -1.83 0.00 0.00 57.00 55.06 2jmg n GLN 130 Cb 0.60 -1.31 -0.07 0.00 -0.86 0.00 0.00 30.24 28.60 2jmg n GLN 130 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 2jmg n ASN 131 N -2.42 1.77 0.00 2.61 2.85 -1.26 -5.36 115.26 113.45 2jmg n ASN 131 Ca -0.19 0.30 0.00 0.00 -0.11 0.00 0.00 54.58 54.59 2jmg n ASN 131 Cb 0.86 -0.72 0.00 0.00 1.24 0.00 0.00 39.78 41.16 2jmg n ASN 131 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15