#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jmg s ALA 3 N 0.00 3.87 0.54 4.61 0.00 -1.26 -4.99 121.76 124.53 2jmg s ALA 3 Ca 0.00 -1.44 0.27 0.00 0.00 0.00 0.00 51.96 50.80 2jmg s ALA 3 Cb 0.00 -1.45 1.43 0.00 0.00 0.00 0.00 23.12 23.10 2jmg s ALA 3 CO 0.00 0.13 1.96 0.00 0.00 0.00 0.00 175.76 177.85 2jmg h ARG 4 N 1.23 0.00 -6.88 0.00 3.08 -2.03 -3.42 114.38 106.35 2jmg h ARG 4 Ca -0.48 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.04 2jmg h ARG 4 Cb 1.24 0.00 0.20 0.00 0.08 0.00 0.00 29.97 31.50 2jmg h ARG 4 CO 0.59 0.00 -0.31 0.00 -1.07 0.00 0.00 179.97 179.18 2jmg n ALA 5 N -2.65 -1.79 -2.88 0.04 0.00 -1.26 -5.01 120.51 106.96 2jmg n ALA 5 Ca 0.12 -0.49 -0.21 0.00 0.00 0.00 0.00 53.44 52.86 2jmg n ALA 5 Cb 0.71 -1.92 0.07 0.00 0.00 0.00 0.00 19.45 18.31 2jmg n ALA 5 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2jmg n SER 6 N -1.78 1.64 -0.00 0.00 7.64 -1.26 -4.95 113.62 114.91 2jmg n SER 6 Ca 0.09 -2.24 0.02 0.00 1.01 0.00 0.00 58.87 57.75 2jmg n SER 6 Cb 0.52 -0.44 -0.03 0.00 -1.01 0.00 0.00 64.21 63.25 2jmg n SER 6 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2jmg n ARG 7 N -2.28 0.58 -2.05 1.43 5.12 -1.26 -5.04 116.66 113.15 2jmg n ARG 7 Ca 0.15 -0.03 -0.29 0.00 -1.93 0.00 0.00 57.85 55.75 2jmg n ARG 7 Cb 0.53 -1.06 0.05 0.00 -1.16 0.00 0.00 32.46 30.82 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 -3.17 2.96 0.00 0.55 1.43 -1.26 -5.10 118.68 114.08 2jmg s LEU 8 Ca -0.01 0.94 0.01 0.00 -1.03 0.00 0.00 54.13 54.04 2jmg s LEU 8 Cb 0.02 -3.71 -0.00 0.00 0.03 0.00 0.00 46.19 42.53 2jmg s LEU 8 CO 0.16 -1.33 0.09 -1.20 0.23 0.00 0.00 176.35 174.30 2jmg n SER 9 N -2.91 -0.24 -0.28 2.29 7.64 -1.26 -5.00 113.62 113.85 2jmg n SER 9 Ca 0.06 -1.55 0.10 0.00 1.01 0.00 0.00 58.87 58.49 2jmg n SER 9 Cb 0.58 0.52 0.24 0.00 -1.01 0.00 0.00 64.21 64.54 2jmg n SER 9 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 2jmg h GLY 10 N 0.53 1.22 0.87 0.23 0.00 -1.98 0.29 103.07 104.23 2jmg h GLY 10 Ca -0.06 -0.03 -0.03 0.00 0.00 0.00 0.00 47.33 47.21 2jmg h GLY 10 CO 0.09 -0.30 -0.40 -1.33 0.00 0.00 0.00 176.54 174.60 2jmg h GLY 11 N 0.24 -1.10 2.00 4.60 0.00 -2.02 -2.12 103.07 104.67 2jmg h GLY 11 Ca 0.50 0.44 0.00 0.00 0.00 0.00 0.00 47.33 48.27 2jmg h GLY 11 CO -0.60 -0.39 0.00 0.83 0.00 0.00 0.00 176.54 176.38 2jmg h GLU 12 N -1.02 0.00 -0.35 4.80 3.07 -1.76 -2.42 114.58 116.90 2jmg h GLU 12 Ca -0.09 0.00 -0.14 0.00 -0.50 0.00 0.00 59.36 58.63 2jmg h GLU 12 Cb 0.81 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.72 2jmg h GLU 12 CO 0.10 0.00 -0.33 1.25 -1.40 0.00 0.00 179.01 178.63 2jmg h LEU 13 N 0.00 0.90 -0.91 1.33 5.85 0.20 -1.59 115.31 121.09 2jmg h LEU 13 Ca 0.00 -0.46 0.20 0.00 0.84 0.00 0.00 57.88 58.46 2jmg h LEU 13 Cb 0.21 -0.25 -0.11 0.00 0.37 0.00 0.00 40.66 40.87 2jmg h LEU 13 CO 0.00 1.18 0.47 -0.78 -0.34 0.00 0.00 178.44 178.96 2jmg h ASP 14 N 0.64 0.51 0.16 1.25 1.82 -0.96 0.30 116.42 120.14 2jmg h ASP 14 Ca 0.06 0.13 -0.22 0.00 -0.39 0.00 0.00 57.03 56.61 2jmg h ASP 14 Cb 0.92 0.06 0.03 0.00 0.68 0.00 0.00 39.33 41.01 2jmg h ASP 14 CO 0.08 0.12 -0.95 0.11 -1.61 0.00 0.00 179.24 176.99 2jmg h LYS 15 N 0.54 0.35 -0.88 0.28 6.56 -1.67 -2.92 116.57 118.84 2jmg h LYS 15 Ca 0.55 -0.60 0.09 0.00 -1.06 0.00 0.00 60.65 59.63 2jmg h LYS 15 Cb 0.95 0.22 -0.06 0.00 -0.57 0.00 0.00 32.23 32.77 2jmg h LYS 15 CO -0.45 1.28 0.57 2.35 -2.06 0.00 0.00 179.45 181.14 2jmg h TRP 16 N -0.26 0.93 -0.00 -1.35 2.91 -0.31 0.20 115.95 118.08 2jmg h TRP 16 Ca -0.16 0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.88 2jmg h TRP 16 Cb 1.75 -0.30 0.00 0.00 -0.51 0.00 0.00 29.16 30.09 2jmg h TRP 16 CO 0.18 0.44 -0.14 0.39 -1.03 0.00 0.00 178.44 178.28 2jmg n GLU 17 N -4.52 0.62 0.21 2.65 1.02 0.95 -3.46 120.64 118.11 2jmg n GLU 17 Ca 0.15 -0.23 0.12 0.00 -0.02 0.00 0.00 57.16 57.18 2jmg n GLU 17 Cb 0.30 -1.50 0.18 0.00 -0.02 0.00 0.00 31.44 30.40 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 0.56 0.00 -6.13 3.49 3.64 -0.38 -3.40 116.57 114.35 2jmg h LYS 18 Ca 0.00 0.00 -0.56 0.00 -1.27 0.00 0.00 60.65 58.82 2jmg h LYS 18 Cb 0.39 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.16 2jmg h LYS 18 CO 0.00 0.00 0.27 0.42 -2.27 0.00 0.00 179.45 177.87 2jmg s ILE 19 N -3.21 4.94 -0.02 2.00 1.09 -1.17 -4.99 121.20 119.84 2jmg s ILE 19 Ca 0.07 1.70 -0.21 0.00 -1.10 0.00 0.00 60.65 61.11 2jmg s ILE 19 Cb 0.06 -4.16 -0.05 0.00 -1.06 0.00 0.00 42.46 37.25 2jmg s ILE 19 CO 0.67 0.15 0.60 -0.13 -0.10 0.00 0.00 174.94 176.13 2jmg s ARG 20 N 1.28 4.33 0.15 2.79 0.52 -1.26 -2.24 118.95 124.52 2jmg s ARG 20 Ca 0.42 0.73 -0.17 0.00 -0.52 0.00 0.00 55.73 56.20 2jmg s ARG 20 Cb -0.18 -3.36 0.01 0.00 0.52 0.00 0.00 34.95 31.94 2jmg s ARG 20 CO 0.19 0.32 1.81 -0.07 0.02 0.00 0.00 175.30 177.57 2jmg h LEU 21 N 5.83 0.41-10.02 2.53 3.38 -1.23 -2.29 115.31 113.92 2jmg h LEU 21 Ca -0.44 -0.01 -0.49 0.00 0.09 0.00 0.00 57.88 57.03 2jmg h LEU 21 Cb 1.20 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.81 2jmg h LEU 21 CO 0.71 0.30 -0.47 -0.13 0.09 0.00 0.00 178.44 178.94 2jmg s ARG 22 N -6.16 2.89 -0.01 1.13 0.52 -1.26 -3.70 118.95 112.37 2jmg s ARG 22 Ca -0.13 -1.13 -0.24 0.00 -0.52 0.00 0.00 55.73 53.70 2jmg s ARG 22 Cb 0.11 -2.57 -0.19 0.00 0.52 0.00 0.00 34.95 32.82 2jmg s ARG 22 CO 0.72 0.24 1.29 -1.00 0.02 0.00 0.00 175.30 176.57 2jmg h PRO 23 N 1.31 0.10 0.00 3.54 0.13 -1.89 -3.37 132.00 131.82 2jmg h PRO 23 Ca -0.47 -0.06 -0.35 0.00 -0.87 0.00 0.00 66.00 64.26 2jmg h PRO 23 Cb 1.25 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.31 2jmg h PRO 23 CO 0.59 0.57 -2.30 0.41 -0.23 0.00 0.00 178.00 177.04 2jmg n GLY 24 N 0.23 -0.91 3.25 1.56 0.00 -1.26 -4.93 105.19 103.13 2jmg n GLY 24 Ca -0.08 -0.31 -0.28 0.00 0.00 0.00 0.00 46.02 45.35 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 1.85 -2.72 0.74 -0.02 0.00 -1.26 -4.94 105.19 98.85 2jmg n GLY 25 Ca -0.31 -1.08 0.07 0.00 0.00 0.00 0.00 46.02 44.69 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 -3.46 2.92 -2.66 1.61 3.00 -1.26 -4.77 118.16 113.53 2jmg n LYS 26 Ca 0.05 -2.32 -0.34 0.00 -0.00 0.00 0.00 58.31 55.70 2jmg n LYS 26 Cb 0.54 -1.47 -0.05 0.00 0.00 0.00 0.00 35.03 34.06 2jmg n LYS 26 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2jmg s LYS 27 N -1.59 4.00 0.38 1.64 1.02 -1.26 -4.97 119.74 118.95 2jmg s LYS 27 Ca 0.30 1.26 0.05 0.00 0.02 0.00 0.00 55.97 57.60 2jmg s LYS 27 Cb 0.19 -2.15 -0.02 0.00 -0.52 0.00 0.00 37.83 35.33 2jmg s LYS 27 CO 0.14 -0.24 0.17 1.04 -0.92 0.00 0.00 175.35 175.53 2jmg n GLN 28 N -0.78 0.55 -3.57 1.68 6.02 -1.26 -0.84 117.38 119.18 2jmg n GLN 28 Ca 0.08 -3.28 -0.32 0.00 -0.01 0.00 0.00 57.00 53.48 2jmg n GLN 28 Cb 0.53 1.96 -0.05 0.00 1.02 0.00 0.00 30.24 33.70 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 -3.07 3.45 0.25 1.08 2.02 -0.95 -4.54 117.35 115.59 2jmg s TYR 29 Ca 0.23 0.68 -0.02 0.00 -0.37 0.00 0.00 57.07 57.59 2jmg s TYR 29 Cb 0.01 -2.10 -0.03 0.00 -0.40 0.00 0.00 41.96 39.44 2jmg s TYR 29 CO 0.17 0.36 0.27 0.15 -1.57 0.00 0.00 175.55 174.93 2jmg s LYS 30 N -2.75 1.47 0.42 -0.62 1.02 -1.26 -4.25 119.74 113.78 2jmg s LYS 30 Ca 0.43 -1.66 0.19 0.00 0.02 0.00 0.00 55.97 54.95 2jmg s LYS 30 Cb -0.12 0.34 1.11 0.00 -0.52 0.00 0.00 37.83 38.65 2jmg s LYS 30 CO 0.23 -0.54 1.84 1.25 -0.92 0.00 0.00 175.35 177.22 2jmg h LEU 31 N 2.39 0.39 -0.87 3.17 5.85 -1.99 -0.50 115.31 123.75 2jmg h LEU 31 Ca -0.31 0.04 0.22 0.00 0.84 0.00 0.00 57.88 58.68 2jmg h LEU 31 Cb 1.24 -0.03 -0.13 0.00 0.37 0.00 0.00 40.66 42.12 2jmg h LEU 31 CO 0.45 0.14 0.31 0.11 -0.34 0.00 0.00 178.44 179.11 2jmg h LYS 32 N 0.38 0.30 -0.35 1.25 1.57 -2.00 0.10 116.57 117.82 2jmg h LYS 32 Ca 0.49 -0.02 -0.13 0.00 -1.87 0.00 0.00 60.65 59.12 2jmg h LYS 32 Cb 1.26 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.49 2jmg h LYS 32 CO -0.18 0.20 -0.28 0.45 -0.57 0.00 0.00 179.45 179.07 2jmg h HIS 33 N 0.31 0.96 0.36 -1.35 3.86 -1.50 -2.85 115.15 114.94 2jmg h HIS 33 Ca 0.55 -0.27 -0.02 0.00 -1.16 0.00 0.00 60.37 59.47 2jmg h HIS 33 Cb 1.06 -0.21 0.00 0.00 1.06 0.00 0.00 27.41 29.33 2jmg h HIS 33 CO -0.20 1.05 -0.18 0.82 0.86 0.00 0.00 177.93 180.29 2jmg h ILE 34 N 0.60 0.00 -0.97 2.45 2.04 -0.86 -1.68 117.51 119.09 2jmg h ILE 34 Ca 0.07 -0.04 0.16 0.00 1.00 0.00 0.00 64.86 66.05 2jmg h ILE 34 Cb 0.85 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 36.77 2jmg h ILE 34 CO 0.07 0.00 -0.34 0.58 0.00 0.00 0.00 178.15 178.46 2jmg h VAL 35 N -0.53 0.02 -0.35 1.67 2.07 -1.28 0.57 116.25 118.42 2jmg h VAL 35 Ca -0.05 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.53 2jmg h VAL 35 Cb 0.38 0.02 -0.05 0.00 -1.52 0.00 0.00 31.29 30.11 2jmg h VAL 35 CO 0.08 0.00 0.04 -0.25 0.02 0.00 0.00 177.57 177.46 2jmg h TRP 36 N -0.01 0.06 0.19 1.57 7.01 -1.51 -0.35 115.95 122.90 2jmg h TRP 36 Ca 0.38 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.39 2jmg h TRP 36 Cb 0.63 0.03 0.00 0.00 -2.10 0.00 0.00 29.16 27.72 2jmg h TRP 36 CO -0.82 -0.02 -0.09 0.00 -2.79 0.00 0.00 178.44 174.72 2jmg h ALA 37 N 1.28 -0.25 -0.80 2.65 0.00 0.66 0.50 119.26 123.29 2jmg h ALA 37 Ca 0.17 -0.11 0.18 0.00 0.00 0.00 0.00 54.91 55.14 2jmg h ALA 37 Cb 0.21 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 2jmg h ALA 37 CO -0.24 -0.56 0.54 0.77 0.00 0.00 0.00 179.25 179.75 2jmg h SER 38 N -0.40 0.34 0.08 0.00 0.02 0.19 -0.48 113.55 113.30 2jmg h SER 38 Ca -0.03 0.03 -0.16 0.00 -0.84 0.00 0.00 61.79 60.79 2jmg h SER 38 Cb 0.31 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.81 2jmg h SER 38 CO 0.04 0.16 -0.79 -0.09 -1.14 0.00 0.00 176.83 175.02 2jmg h ARG 39 N 0.35 0.18 -0.44 3.45 2.43 -0.75 -3.21 114.38 116.38 2jmg h ARG 39 Ca 0.40 -0.30 0.09 0.00 -0.81 0.00 0.00 59.98 59.35 2jmg h ARG 39 Cb 1.03 0.11 -0.08 0.00 -0.42 0.00 0.00 29.97 30.62 2jmg h ARG 39 CO -0.12 1.14 -0.03 1.49 -1.51 0.00 0.00 179.97 180.94 2jmg h GLU 40 N -0.59 0.07 0.00 0.20 4.22 0.76 0.96 114.58 120.21 2jmg h GLU 40 Ca -0.16 -0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.25 2jmg h GLU 40 Cb 1.47 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.70 2jmg h GLU 40 CO 0.05 0.05 -0.09 -0.07 -2.18 0.00 0.00 179.01 176.78 2jmg h LEU 41 N 0.08 0.00 -1.27 1.64 3.38 -1.26 0.56 115.31 118.43 2jmg h LEU 41 Ca 0.22 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.12 2jmg h LEU 41 Cb 0.33 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2jmg h LEU 41 CO -0.39 0.09 -0.19 -0.08 0.09 0.00 0.00 178.44 177.96 2jmg h GLU 42 N 0.00 0.26 0.00 1.13 4.22 -0.82 -2.03 114.58 117.34 2jmg h GLU 42 Ca -0.00 -0.07 -0.05 0.00 0.08 0.00 0.00 59.36 59.31 2jmg h GLU 42 Cb 0.16 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 2jmg h GLU 42 CO 0.01 0.45 -2.04 0.54 -2.18 0.00 0.00 179.01 175.79 2jmg n ARG 43 N -4.21 0.66 0.07 1.92 5.12 -0.62 -4.19 116.66 115.41 2jmg n ARG 43 Ca -0.01 -0.17 0.10 0.00 -1.93 0.00 0.00 57.85 55.84 2jmg n ARG 43 Cb 0.32 -1.51 0.41 0.00 -1.16 0.00 0.00 32.46 30.51 2jmg n ARG 43 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 2jmg n PHE 44 N -2.32 0.45 -0.37 -1.55 3.01 0.19 -4.84 117.46 112.03 2jmg n PHE 44 Ca -0.08 0.18 0.00 0.00 1.01 0.00 0.00 57.45 58.56 2jmg n PHE 44 Cb 0.65 -0.79 0.00 0.00 -0.01 0.00 0.00 39.48 39.32 2jmg n PHE 44 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2jmg n ALA 45 N -1.65 0.00 -2.86 4.37 0.00 -1.13 -5.04 120.51 114.19 2jmg n ALA 45 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.09 2jmg n ALA 45 Cb 0.19 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.52 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 -2.60 4.71 0.00 0.00 1.01 -0.78 -5.05 120.40 117.70 2jmg s VAL 46 Ca 0.00 -0.09 -0.37 0.00 0.00 0.00 0.00 61.98 61.52 2jmg s VAL 46 Cb 0.00 -3.25 -0.16 0.00 0.00 0.00 0.00 36.38 32.97 2jmg s VAL 46 CO 0.00 0.27 1.46 0.59 0.00 0.00 0.00 175.10 177.42 2jmg n ASN 47 N 4.98 1.94 0.09 3.32 3.02 -1.26 -4.03 115.26 123.31 2jmg n ASN 47 Ca -0.15 1.10 0.10 0.00 -0.03 0.00 0.00 54.58 55.60 2jmg n ASN 47 Cb 0.51 -1.20 0.43 0.00 -0.61 0.00 0.00 39.78 38.92 2jmg n ASN 47 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 2jmg n PRO 48 N 3.32 0.13 0.00 3.52 -0.04 -1.26 -2.81 135.00 137.86 2jmg n PRO 48 Ca 0.20 0.37 0.06 0.00 -0.04 0.00 0.00 63.50 64.09 2jmg n PRO 48 Cb 0.18 -1.75 0.31 0.00 -0.04 0.00 0.00 33.50 32.21 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 -0.53 0.07 0.55 0.00 -1.26 -1.98 105.19 102.01 2jmg n GLY 49 Ca 0.02 -0.06 0.13 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.16 0.56 0.05 0.99 4.77 -1.12 -2.91 117.00 118.18 2jmg n LEU 50 Ca 0.07 0.56 0.12 0.00 -0.03 0.00 0.00 56.01 56.73 2jmg n LEU 50 Cb 0.07 -0.39 0.29 0.00 -2.33 0.00 0.00 43.42 41.06 2jmg n LEU 50 CO 0.08 -0.16 0.55 0.18 -1.33 0.00 0.00 177.39 176.71 2jmg n LEU 51 N -2.03 0.59 -2.65 2.23 4.77 -0.84 -1.53 117.00 117.54 2jmg n LEU 51 Ca 0.06 0.28 -0.37 0.00 -0.03 0.00 0.00 56.01 55.95 2jmg n LEU 51 Cb 0.39 -0.26 0.05 0.00 -2.33 0.00 0.00 43.42 41.26 2jmg n LEU 51 CO 0.28 -0.03 1.36 -1.84 -1.33 0.00 0.00 177.39 175.83 2jmg n GLU 52 N -1.93 2.82 -3.37 3.23 0.28 -1.14 -4.87 120.64 115.66 2jmg n GLU 52 Ca 0.05 -3.55 0.02 0.00 -0.16 0.00 0.00 57.16 53.52 2jmg n GLU 52 Cb 0.40 -2.28 -0.05 0.00 1.43 0.00 0.00 31.44 30.95 2jmg n GLU 52 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 177.13 176.89 2jmg s THR 53 N -5.01 -0.19 0.40 3.84 -1.32 -1.25 -4.98 115.64 107.12 2jmg s THR 53 Ca 0.56 0.00 0.15 0.00 -1.21 0.00 0.00 61.69 61.19 2jmg s THR 53 Cb 0.46 -1.00 0.36 0.00 -1.51 0.00 0.00 72.50 70.81 2jmg s THR 53 CO -0.25 0.00 1.85 0.77 -2.21 0.00 0.00 174.62 174.78 2jmg h SER 54 N 6.83 0.49 1.28 8.08 4.64 -1.88 0.35 113.55 133.33 2jmg h SER 54 Ca -0.17 0.05 -0.12 0.00 -0.47 0.00 0.00 61.79 61.08 2jmg h SER 54 Cb 1.13 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 63.17 2jmg h SER 54 CO 0.11 0.20 -0.56 -0.08 -0.87 0.00 0.00 176.83 175.63 2jmg h GLU 55 N 0.49 0.00 -0.13 4.77 4.57 -1.95 -3.24 114.58 119.08 2jmg h GLU 55 Ca 0.48 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.59 2jmg h GLU 55 Cb 1.07 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.66 2jmg h GLU 55 CO -0.21 0.56 -0.20 0.78 -1.18 0.00 0.00 179.01 178.76 2jmg h GLY 56 N 3.11 0.41 0.64 1.92 0.00 -0.52 -2.85 103.07 105.78 2jmg h GLY 56 Ca -0.01 -0.46 -0.03 0.00 0.00 0.00 0.00 47.33 46.84 2jmg h GLY 56 CO 0.07 0.41 -0.37 0.00 0.00 0.00 0.00 176.54 176.65 2jmg h ARG 58 N -0.94 0.44 -0.83 0.00 1.12 -1.68 0.42 114.38 112.91 2jmg h ARG 58 Ca -0.09 -0.03 -0.02 0.00 -1.11 0.00 0.00 59.98 58.74 2jmg h ARG 58 Cb 0.75 -0.10 -0.04 0.00 -0.01 0.00 0.00 29.97 30.57 2jmg h ARG 58 CO 0.10 0.29 0.45 0.37 -3.11 0.00 0.00 179.97 178.07 2jmg h GLN 59 N 0.45 1.16 -0.37 0.20 5.75 -1.23 -2.07 115.11 119.00 2jmg h GLN 59 Ca 0.69 -0.14 0.01 0.00 -0.15 0.00 0.00 58.65 59.07 2jmg h GLN 59 Cb 1.46 -0.23 -0.02 0.00 1.07 0.00 0.00 27.48 29.76 2jmg h GLN 59 CO -0.53 0.85 0.22 0.82 -2.65 0.00 0.00 178.83 177.54 2jmg h ILE 60 N 1.15 1.05 0.39 2.39 2.04 0.60 -1.34 117.51 123.79 2jmg h ILE 60 Ca 0.29 -0.15 -0.02 0.00 1.00 0.00 0.00 64.86 65.98 2jmg h ILE 60 Cb 0.04 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 36.68 2jmg h ILE 60 CO -0.05 0.08 -0.19 -0.07 0.00 0.00 0.00 178.15 177.93 2jmg h LEU 61 N 0.45 -0.45 -1.42 1.44 3.38 -1.19 0.27 115.31 117.78 2jmg h LEU 61 Ca 0.14 -0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.25 2jmg h LEU 61 Cb -0.00 0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.80 2jmg h LEU 61 CO -0.06 -0.29 0.54 1.23 0.09 0.00 0.00 178.44 179.94 2jmg h GLY 62 N -0.56 0.97 1.91 0.83 0.00 -1.25 0.44 103.07 105.40 2jmg h GLY 62 Ca -0.05 -0.25 -0.22 0.00 0.00 0.00 0.00 47.33 46.81 2jmg h GLY 62 CO 0.09 0.09 -1.02 1.46 0.00 0.00 0.00 176.54 177.15 2jmg h GLN 63 N 0.58 0.07 0.00 4.80 1.08 -0.91 -3.24 115.11 117.49 2jmg h GLN 63 Ca 0.40 -0.11 -0.07 0.00 -1.45 0.00 0.00 58.65 57.42 2jmg h GLN 63 Cb 0.74 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.21 2jmg h GLN 63 CO -0.16 1.03 -0.32 -0.07 -0.95 0.00 0.00 178.83 178.36 2jmg h LEU 64 N 0.02 0.00 -0.31 1.46 3.38 0.12 -3.34 115.31 116.64 2jmg h LEU 64 Ca -0.04 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.97 2jmg h LEU 64 Cb 1.76 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 42.44 2jmg h LEU 64 CO 0.14 0.32 -0.50 1.56 0.09 0.00 0.00 178.44 180.05 2jmg h GLN 65 N 0.00 -0.38 0.00 1.13 4.20 -0.23 0.53 115.11 120.36 2jmg h GLN 65 Ca -0.00 0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.73 2jmg h GLN 65 Cb 1.20 0.09 0.00 0.00 0.30 0.00 0.00 27.48 29.06 2jmg h GLN 65 CO 0.04 -0.26 0.00 -0.35 -0.67 0.00 0.00 178.83 177.60 2jmg n PRO 66 N -5.10 0.17 -0.01 1.46 -0.04 -1.26 -2.20 135.00 128.02 2jmg n PRO 66 Ca -0.04 0.16 0.04 0.00 -0.04 0.00 0.00 63.50 63.62 2jmg n PRO 66 Cb 0.31 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.14 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 -1.32 0.28 0.18 3.54 7.64 0.10 -4.19 113.62 119.85 2jmg n SER 67 Ca 0.06 0.12 0.18 0.00 1.01 0.00 0.00 58.87 60.24 2jmg n SER 67 Cb 0.13 1.19 0.76 0.00 -1.01 0.00 0.00 64.21 65.27 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 0.22 -3.43 3.38 0.33 0.51 115.31 116.32 2jmg h LEU 68 Ca -0.17 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.45 2jmg h LEU 68 Cb 1.43 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.21 2jmg h LEU 68 CO 0.02 0.00 -1.63 -0.61 0.09 0.00 0.00 178.44 176.30 2jmg h GLN 69 N 0.00 0.46 0.04 1.13 -0.00 -1.75 -3.39 115.11 111.61 2jmg h GLN 69 Ca 0.12 -0.79 -0.00 0.00 -0.00 0.00 0.00 58.65 57.98 2jmg h GLN 69 Cb 0.95 0.30 0.00 0.00 0.00 0.00 0.00 27.48 28.73 2jmg h GLN 69 CO -0.00 1.38 -0.02 1.15 0.00 0.00 0.00 178.83 181.34 2jmg h THR 70 N 0.12 1.10 -3.45 2.39 2.02 -1.01 -3.46 112.91 110.62 2jmg h THR 70 Ca -0.31 -1.64 -0.43 0.00 0.77 0.00 0.00 66.41 64.80 2jmg h THR 70 Cb 2.13 2.00 0.19 0.00 -1.74 0.00 0.00 68.15 70.73 2jmg h THR 70 CO 0.22 0.34 0.07 -0.83 0.37 0.00 0.00 175.52 175.69 2jmg s GLY 71 N -3.75 1.54 0.00 2.16 0.00 0.15 -5.06 107.32 102.35 2jmg s GLY 71 Ca -0.13 -0.39 0.00 0.00 0.00 0.00 0.00 44.72 44.20 2jmg s GLY 71 CO 0.47 0.35 0.00 -1.14 0.00 0.00 0.00 173.10 172.78 2jmg n SER 72 N -4.76 0.00 0.33 1.64 3.41 -1.26 -4.85 113.62 108.14 2jmg n SER 72 Ca 0.05 -0.61 0.22 0.00 -0.26 0.00 0.00 58.87 58.27 2jmg n SER 72 Cb 0.57 0.00 1.16 0.00 -0.26 0.00 0.00 64.21 65.67 2jmg n SER 72 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2jmg h GLU 73 N 0.00 0.00 0.00 4.33 4.39 -1.97 -0.76 114.58 120.57 2jmg h GLU 73 Ca 0.00 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 2jmg h GLU 73 Cb 0.00 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2jmg h GLU 73 CO 0.00 0.00 -0.14 0.93 -1.16 0.00 0.00 179.01 178.64 2jmg h GLU 74 N 0.00 0.00 0.08 2.33 3.07 -2.01 -2.73 114.58 115.32 2jmg h GLU 74 Ca -0.00 0.00 -0.31 0.00 -0.50 0.00 0.00 59.36 58.55 2jmg h GLU 74 Cb 0.05 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.94 2jmg h GLU 74 CO 0.00 0.14 -1.63 1.25 -1.40 0.00 0.00 179.01 177.36 2jmg h LEU 75 N 0.00 0.27 -0.51 1.33 6.46 -1.49 -3.36 115.31 118.01 2jmg h LEU 75 Ca -0.00 -0.44 0.05 0.00 -0.12 0.00 0.00 57.88 57.36 2jmg h LEU 75 Cb 0.43 -0.09 -0.05 0.00 -0.73 0.00 0.00 40.66 40.23 2jmg h LEU 75 CO 0.02 1.38 0.25 -0.09 -0.62 0.00 0.00 178.44 179.38 2jmg h ARG 76 N 0.05 0.47 -0.85 1.25 1.12 -1.46 -2.00 114.38 112.95 2jmg h ARG 76 Ca -0.27 -0.03 0.15 0.00 -1.11 0.00 0.00 59.98 58.71 2jmg h ARG 76 Cb 2.00 -0.11 -0.09 0.00 -0.01 0.00 0.00 29.97 31.76 2jmg h ARG 76 CO 0.12 0.31 0.44 0.66 -3.11 0.00 0.00 179.97 178.40 2jmg h SER 77 N 0.48 0.54 0.20 -3.80 4.64 -1.68 -1.80 113.55 112.14 2jmg h SER 77 Ca 0.23 0.09 -0.00 0.00 -0.47 0.00 0.00 61.79 61.64 2jmg h SER 77 Cb 0.15 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 2jmg h SER 77 CO -0.17 0.23 -0.16 -0.07 -0.87 0.00 0.00 176.83 175.79 2jmg h LEU 78 N 0.63 -0.42 -0.59 5.97 -0.00 -1.52 -1.35 115.31 118.04 2jmg h LEU 78 Ca 0.46 0.04 0.12 0.00 -0.00 0.00 0.00 57.88 58.50 2jmg h LEU 78 Cb 0.65 0.14 -0.09 0.00 -0.00 0.00 0.00 40.66 41.35 2jmg h LEU 78 CO -0.36 -0.25 0.04 0.22 -0.00 0.00 0.00 178.44 178.10 2jmg h TYR 79 N -0.37 0.04 0.00 1.13 5.03 -1.12 0.50 116.97 122.18 2jmg h TYR 79 Ca -0.01 0.04 -0.01 0.00 2.58 0.00 0.00 58.73 61.33 2jmg h TYR 79 Cb 0.34 0.07 -0.00 0.00 1.55 0.00 0.00 36.73 38.69 2jmg h TYR 79 CO -0.12 -0.11 -0.06 -0.91 -1.32 0.00 0.00 178.16 175.64 2jmg h ASN 80 N 0.16 0.00 0.00 -2.11 4.21 -1.13 -2.22 115.58 114.50 2jmg h ASN 80 Ca 0.31 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.82 2jmg h ASN 80 Cb 0.48 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.68 2jmg h ASN 80 CO -0.46 0.06 -0.07 0.74 -1.29 0.00 0.00 177.43 176.41 2jmg h THR 81 N 0.00 0.00 -1.05 2.81 2.02 0.97 -3.30 112.91 114.37 2jmg h THR 81 Ca -0.00 -0.44 0.29 0.00 0.77 0.00 0.00 66.41 67.03 2jmg h THR 81 Cb 0.32 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.61 2jmg h THR 81 CO 0.01 0.00 0.63 0.40 0.37 0.00 0.00 175.52 176.93 2jmg h ILE 82 N -0.44 0.42 -0.88 3.11 2.04 -0.67 0.52 117.51 121.60 2jmg h ILE 82 Ca 0.00 -0.14 0.07 0.00 1.00 0.00 0.00 64.86 65.79 2jmg h ILE 82 Cb 0.07 -0.02 -0.06 0.00 -0.74 0.00 0.00 36.82 36.07 2jmg h ILE 82 CO 0.00 0.07 0.57 0.00 0.00 0.00 0.00 178.15 178.80 2jmg h ALA 83 N 1.72 1.55 0.00 1.87 0.00 -1.56 -0.30 119.26 122.54 2jmg h ALA 83 Ca 0.68 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.44 2jmg h ALA 83 Cb 1.57 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 2jmg h ALA 83 CO -0.46 0.31 -0.59 0.28 0.00 0.00 0.00 179.25 178.79 2jmg h VAL 84 N 0.98 1.04 -0.13 0.00 2.07 -0.09 -3.26 116.25 116.86 2jmg h VAL 84 Ca 0.38 -2.39 -0.19 0.00 0.82 0.00 0.00 66.70 65.32 2jmg h VAL 84 Cb 0.24 2.46 -0.00 0.00 -1.52 0.00 0.00 31.29 32.46 2jmg h VAL 84 CO -0.15 0.58 -0.71 0.25 0.02 0.00 0.00 177.57 177.56 2jmg h LEU 85 N 0.00 0.66 -1.43 2.57 5.85 -0.16 -3.14 115.31 119.67 2jmg h LEU 85 Ca -0.01 -0.42 0.15 0.00 0.84 0.00 0.00 57.88 58.45 2jmg h LEU 85 Cb 1.41 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 42.18 2jmg h LEU 85 CO 0.08 1.17 0.55 0.22 -0.34 0.00 0.00 178.44 180.12 2jmg h TYR 86 N 0.40 0.66 0.00 1.25 3.20 -1.15 0.27 116.97 121.59 2jmg h TYR 86 Ca -0.03 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.80 2jmg h TYR 86 Cb 1.30 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 39.35 2jmg h TYR 86 CO 0.06 0.24 -0.29 0.00 -1.64 0.00 0.00 178.16 176.53 2jmg h VAL 88 N 0.00 1.17 -0.02 0.00 2.07 -0.53 0.57 116.25 119.51 2jmg h VAL 88 Ca -0.00 -1.68 0.00 0.00 0.82 0.00 0.00 66.70 65.84 2jmg h VAL 88 Cb 0.69 1.95 0.00 0.00 -1.52 0.00 0.00 31.29 32.41 2jmg h VAL 88 CO 0.04 0.45 -0.21 1.41 0.02 0.00 0.00 177.57 179.28 2jmg n HIS 89 N -3.75 0.00 -0.25 1.57 8.25 -1.01 -4.43 115.22 115.60 2jmg n HIS 89 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 2jmg n HIS 89 Cb 0.52 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.63 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 0.40 0.78 -3.45 -0.41 1.13 -0.36 -4.73 117.38 110.73 2jmg n GLN 90 Ca 0.09 -0.24 -0.18 0.00 -1.94 0.00 0.00 57.00 54.73 2jmg n GLN 90 Cb 0.42 -0.69 0.08 0.00 0.11 0.00 0.00 30.24 30.15 2jmg n GLN 90 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49 2jmg n ARG 91 N -0.18 -5.41 -3.26 -1.09 3.00 0.20 -4.96 116.66 104.96 2jmg n ARG 91 Ca 0.00 0.80 -0.42 0.00 -0.00 0.00 0.00 57.85 58.24 2jmg n ARG 91 Cb 0.06 -5.70 -0.08 0.00 0.00 0.00 0.00 32.46 26.75 2jmg n ARG 91 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2jmg s ILE 92 N -3.42 5.02 -0.59 5.15 -1.09 -0.92 -5.00 121.20 120.35 2jmg s ILE 92 Ca 0.09 0.18 -0.26 0.00 -2.23 0.00 0.00 60.65 58.44 2jmg s ILE 92 Cb -0.02 -3.99 -0.08 0.00 -1.58 0.00 0.00 42.46 36.80 2jmg s ILE 92 CO 0.75 -0.27 2.33 -0.62 -1.23 0.00 0.00 174.94 175.89 2jmg s ASP 93 N 1.79 4.43 -0.20 3.58 2.15 -1.26 -4.81 116.67 122.35 2jmg s ASP 93 Ca 0.17 0.67 -0.04 0.00 0.43 0.00 0.00 52.55 53.79 2jmg s ASP 93 Cb -0.16 -2.52 -0.02 0.00 -0.30 0.00 0.00 42.92 39.93 2jmg s ASP 93 CO 0.14 -3.06 -0.03 0.68 -0.17 0.00 0.00 175.17 172.73 2jmg s VAL 94 N 12.38 3.62 -0.17 1.11 -7.23 -1.26 -4.94 120.40 123.91 2jmg s VAL 94 Ca 0.92 -0.42 0.29 0.00 -1.81 0.00 0.00 61.98 60.95 2jmg s VAL 94 Cb -0.15 -2.63 0.37 0.00 0.56 0.00 0.00 36.38 34.52 2jmg s VAL 94 CO 0.20 0.43 1.81 0.50 -0.31 0.00 0.00 175.10 177.73 2jmg h LYS 95 N 7.70 0.00 0.00 4.82 3.64 -1.91 -3.43 116.57 127.39 2jmg h LYS 95 Ca -0.37 0.00 0.29 0.00 -1.27 0.00 0.00 60.65 59.30 2jmg h LYS 95 Cb 1.17 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.94 2jmg h LYS 95 CO 0.60 0.00 0.77 -0.40 -2.27 0.00 0.00 179.45 178.15 2jmg n ASP 96 N -3.07 -1.07 -0.08 4.20 5.68 -1.26 -4.14 116.55 116.80 2jmg n ASP 96 Ca 0.02 -1.26 -0.07 0.00 -0.50 0.00 0.00 54.79 52.99 2jmg n ASP 96 Cb 0.41 1.67 -0.00 0.00 -1.14 0.00 0.00 41.12 42.06 2jmg n ASP 96 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 2jmg h THR 97 N 1.86 0.46 0.04 2.12 2.02 -1.49 -1.88 112.91 116.05 2jmg h THR 97 Ca -0.19 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.99 2jmg h THR 97 Cb 1.02 0.46 -0.00 0.00 -1.74 0.00 0.00 68.15 67.89 2jmg h THR 97 CO 0.27 0.00 -0.04 0.50 0.37 0.00 0.00 175.52 176.62 2jmg h LYS 98 N -0.15 -0.09 -1.01 6.66 3.64 -1.89 -2.42 116.57 121.32 2jmg h LYS 98 Ca 0.16 0.01 0.28 0.00 -1.27 0.00 0.00 60.65 59.83 2jmg h LYS 98 Cb 0.40 0.02 -0.14 0.00 -0.41 0.00 0.00 32.23 32.11 2jmg h LYS 98 CO -0.40 -0.06 0.59 0.93 -2.27 0.00 0.00 179.45 178.24 2jmg h GLU 99 N -0.09 0.45 -0.00 1.90 3.07 -1.79 0.87 114.58 118.99 2jmg h GLU 99 Ca 0.00 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 2jmg h GLU 99 Cb 0.09 -0.10 -0.00 0.00 -0.84 0.00 0.00 28.75 27.90 2jmg h GLU 99 CO -0.01 0.30 0.00 0.00 -1.40 0.00 0.00 179.01 177.89 2jmg h ALA 100 N 1.78 0.00 0.45 3.43 0.00 -0.85 -0.46 119.26 123.62 2jmg h ALA 100 Ca 0.69 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.58 2jmg h ALA 100 Cb 1.43 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.20 2jmg h ALA 100 CO -0.53 -0.49 -0.45 -0.07 0.00 0.00 0.00 179.25 177.70 2jmg h LEU 101 N -0.01 -1.24 -0.11 0.00 -0.00 -0.72 0.31 115.31 113.55 2jmg h LEU 101 Ca 0.00 0.10 0.00 0.00 -0.00 0.00 0.00 57.88 57.98 2jmg h LEU 101 Cb 0.01 0.41 0.00 0.00 -0.00 0.00 0.00 40.66 41.08 2jmg h LEU 101 CO -0.00 -0.61 0.00 0.47 -0.00 0.00 0.00 178.44 178.30 2jmg n ASP 102 N -5.53 0.05 -0.09 -0.43 9.92 -0.83 -1.32 116.55 118.33 2jmg n ASP 102 Ca -0.11 0.52 -0.13 0.00 -0.53 0.00 0.00 54.79 54.54 2jmg n ASP 102 Cb 0.43 -0.53 -0.07 0.00 -0.64 0.00 0.00 41.12 40.32 2jmg n ASP 102 CO 0.00 0.00 0.00 0.11 0.13 0.00 0.00 177.20 177.44 2jmg h LYS 103 N 0.00 0.00 -0.38 -1.24 1.79 0.73 -2.97 116.57 114.50 2jmg h LYS 103 Ca 0.00 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.42 2jmg h LYS 103 Cb 0.08 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.71 2jmg h LYS 103 CO 0.00 0.51 0.02 0.82 -1.08 0.00 0.00 179.45 179.72 2jmg h ILE 104 N -1.00 1.20 0.13 1.86 2.04 -0.23 -1.61 117.51 119.90 2jmg h ILE 104 Ca -0.17 -0.80 -0.01 0.00 1.00 0.00 0.00 64.86 64.89 2jmg h ILE 104 Cb 0.89 0.89 0.00 0.00 -0.74 0.00 0.00 36.82 37.86 2jmg h ILE 104 CO -0.10 0.28 -0.06 -0.08 0.00 0.00 0.00 178.15 178.18 2jmg h GLU 105 N 0.57 -0.17 -0.37 2.37 4.81 -1.39 -3.21 114.58 117.19 2jmg h GLU 105 Ca 0.12 0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.47 2jmg h GLU 105 Cb 0.33 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 2jmg h GLU 105 CO 0.01 0.31 0.29 1.49 -0.73 0.00 0.00 179.01 180.37 2jmg h GLU 106 N -0.83 0.00 0.00 1.92 4.57 -1.48 0.33 114.58 119.09 2jmg h GLU 106 Ca -0.02 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.12 2jmg h GLU 106 Cb 0.55 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.13 2jmg h GLU 106 CO 0.03 0.00 -0.19 0.93 -1.18 0.00 0.00 179.01 178.60 2jmg h GLU 107 N 0.00 0.00 0.00 1.92 5.08 -1.29 0.19 114.58 120.47 2jmg h GLU 107 Ca 0.18 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.29 2jmg h GLU 107 Cb 0.75 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.95 2jmg h GLU 107 CO -0.00 0.19 -2.14 0.94 -1.00 0.00 0.00 179.01 176.99 2jmg n GLN 108 N -3.73 0.97 0.10 2.33 -0.06 0.61 -4.45 117.38 113.14 2jmg n GLN 108 Ca -0.02 -0.05 -0.20 0.00 -2.00 0.00 0.00 57.00 54.73 2jmg n GLN 108 Cb 0.30 -1.46 -0.12 0.00 -4.06 0.00 0.00 30.24 24.90 2jmg n GLN 108 CO 0.00 0.00 0.00 -0.97 -0.20 0.00 0.00 177.06 175.89 2jmg h ASN 109 N 0.00 0.76 -0.91 1.69 -0.73 -0.37 -3.27 115.58 112.75 2jmg h ASN 109 Ca -0.37 -0.72 0.18 0.00 1.87 0.00 0.00 56.30 57.26 2jmg h ASN 109 Cb 1.82 -0.24 -0.07 0.00 0.27 0.00 0.00 38.32 40.09 2jmg h ASN 109 CO 0.02 1.53 0.59 0.50 -0.37 0.00 0.00 177.43 179.70 2jmg h LYS 110 N 0.23 0.53 -0.34 6.67 3.64 -0.85 0.26 116.57 126.71 2jmg h LYS 110 Ca -0.17 -0.03 0.10 0.00 -1.27 0.00 0.00 60.65 59.27 2jmg h LYS 110 Cb 1.91 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 33.60 2jmg h LYS 110 CO 0.23 0.35 0.32 1.03 -2.27 0.00 0.00 179.45 179.11 2jmg h SER 111 N 0.54 0.00 0.01 4.20 0.87 -1.78 0.25 113.55 117.65 2jmg h SER 111 Ca 0.48 0.00 -0.35 0.00 -1.23 0.00 0.00 61.79 60.68 2jmg h SER 111 Cb 0.99 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.90 2jmg h SER 111 CO -0.21 0.00 -1.96 1.17 -0.53 0.00 0.00 176.83 175.30 2jmg n LYS 112 N -3.93 0.60 0.26 2.24 0.00 0.83 -4.26 118.16 113.91 2jmg n LYS 112 Ca 0.05 0.38 0.15 0.00 0.00 0.00 0.00 58.31 58.89 2jmg n LYS 112 Cb 0.48 -1.62 0.85 0.00 0.00 0.00 0.00 35.03 34.74 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 -0.78 0.00 -1.03 1.64 3.64 -0.87 -0.54 116.57 118.62 2jmg h LYS 113 Ca -0.52 0.00 -0.43 0.00 -1.27 0.00 0.00 60.65 58.43 2jmg h LYS 113 Cb 1.56 0.00 -0.24 0.00 -0.41 0.00 0.00 32.23 33.14 2jmg h LYS 113 CO -0.25 0.00 0.55 1.63 -2.27 0.00 0.00 179.45 179.11 2jmg n LYS 114 N -3.95 2.05 0.28 1.90 4.76 0.83 -4.47 118.16 119.56 2jmg n LYS 114 Ca -0.01 -2.43 0.13 0.00 -2.87 0.00 0.00 58.31 53.13 2jmg n LYS 114 Cb 0.16 -1.95 0.80 0.00 -1.84 0.00 0.00 35.03 32.20 2jmg n LYS 114 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2jmg h ALA 115 N 1.30 1.41 -0.69 7.82 0.00 -1.27 -2.13 119.26 125.69 2jmg h ALA 115 Ca 0.50 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.36 2jmg h ALA 115 Cb 2.24 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.98 2jmg h ALA 115 CO 0.94 0.09 0.44 -0.56 0.00 0.00 0.00 179.25 180.16 2jmg h GLN 116 N 0.00 0.92 -0.42 0.00 3.07 -1.85 0.16 115.11 116.99 2jmg h GLN 116 Ca -0.00 -0.06 -0.16 0.00 0.09 0.00 0.00 58.65 58.52 2jmg h GLN 116 Cb 0.19 -0.20 -0.09 0.00 0.08 0.00 0.00 27.48 27.45 2jmg h GLN 116 CO 0.01 0.62 0.05 1.04 0.09 0.00 0.00 178.83 180.64 2jmg n GLN 117 N -4.42 2.38 0.00 0.06 1.13 -0.83 -4.53 117.38 111.18 2jmg n GLN 117 Ca 0.07 -3.05 0.00 0.00 -1.94 0.00 0.00 57.00 52.08 2jmg n GLN 117 Cb 0.05 -1.89 0.00 0.00 0.11 0.00 0.00 30.24 28.50 2jmg n GLN 117 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2jmg n ALA 118 N -0.85 1.99 0.09 -1.58 0.00 -0.83 -4.77 120.51 114.56 2jmg n ALA 118 Ca 0.33 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.96 2jmg n ALA 118 Cb 1.08 0.22 0.75 0.00 0.00 0.00 0.00 19.45 21.50 2jmg n ALA 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jmg h ALA 119 N 0.00 2.18 -2.31 0.00 0.00 -0.95 -3.37 119.26 114.81 2jmg h ALA 119 Ca 0.00 -0.01 -0.50 0.00 0.00 0.00 0.00 54.91 54.40 2jmg h ALA 119 Cb 0.45 0.03 0.04 0.00 0.00 0.00 0.00 17.79 18.31 2jmg h ALA 119 CO 0.00 -0.54 0.18 0.00 0.00 0.00 0.00 179.25 178.89 2jmg s ALA 120 N -4.79 3.33 0.00 0.00 0.00 -1.26 -4.53 121.76 114.51 2jmg s ALA 120 Ca -0.05 -0.38 0.00 0.00 0.00 0.00 0.00 51.96 51.53 2jmg s ALA 120 Cb 0.17 -2.71 0.00 0.00 0.00 0.00 0.00 23.12 20.58 2jmg s ALA 120 CO 0.62 -0.39 0.00 -0.25 0.00 0.00 0.00 175.76 175.74 2jmg n ASP 121 N -2.27 0.00 -0.59 0.00 9.92 -1.26 -4.93 116.55 117.42 2jmg n ASP 121 Ca 0.02 0.00 0.01 0.00 -0.53 0.00 0.00 54.79 54.29 2jmg n ASP 121 Cb 0.55 0.00 -0.00 0.00 -0.64 0.00 0.00 41.12 41.03 2jmg n ASP 121 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 2jmg n THR 122 N 0.00 0.00 -2.06 -3.53 -2.24 -1.26 -4.78 114.28 100.41 2jmg n THR 122 Ca 0.00 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.77 2jmg n THR 122 Cb 0.00 -0.02 -0.01 0.00 -2.10 0.00 0.00 70.33 68.20 2jmg n THR 122 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jmg n GLY 123 N -0.21 0.77 3.69 3.38 0.00 -1.26 -5.13 105.19 106.43 2jmg n GLY 123 Ca 0.00 -0.10 -0.06 0.00 0.00 0.00 0.00 46.02 45.86 2jmg n GLY 123 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2jmg s ASN 124 N -0.70 -0.28 0.16 1.61 3.84 -1.26 -5.13 114.94 113.17 2jmg s ASN 124 Ca 0.04 -0.33 -0.34 0.00 0.21 0.00 0.00 52.86 52.44 2jmg s ASN 124 Cb 0.04 0.54 -0.14 0.00 -0.55 0.00 0.00 41.25 41.15 2jmg s ASN 124 CO -0.02 -0.97 1.53 0.59 -2.79 0.00 0.00 177.10 175.45 2jmg n ASN 125 N -0.41 2.87 -3.51 -4.21 3.02 -1.26 -4.96 115.26 106.80 2jmg n ASN 125 Ca -0.07 1.09 -0.08 0.00 -0.03 0.00 0.00 54.58 55.48 2jmg n ASN 125 Cb 0.61 -1.39 -0.02 0.00 -0.61 0.00 0.00 39.78 38.37 2jmg n ASN 125 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2jmg s SER 126 N 0.81 -0.37 0.00 6.41 0.15 -1.26 -5.11 113.70 114.33 2jmg s SER 126 Ca 0.79 -0.02 0.00 0.00 0.70 0.00 0.00 55.95 57.42 2jmg s SER 126 Cb -0.71 0.40 0.00 0.00 -1.71 0.00 0.00 66.02 64.00 2jmg s SER 126 CO 0.40 -0.66 0.00 0.00 1.20 0.00 0.00 173.24 174.18 2jmg n GLN 127 N -0.26 0.00 -3.82 5.44 1.13 -1.26 -5.13 117.38 113.47 2jmg n GLN 127 Ca -0.09 0.00 -0.36 0.00 -1.94 0.00 0.00 57.00 54.60 2jmg n GLN 127 Cb 0.62 0.00 -0.06 0.00 0.11 0.00 0.00 30.24 30.91 2jmg n GLN 127 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 2jmg s VAL 128 N -0.54 5.42 0.25 5.09 1.01 -1.26 -5.08 120.40 125.28 2jmg s VAL 128 Ca 0.00 0.24 -0.29 0.00 0.00 0.00 0.00 61.98 61.93 2jmg s VAL 128 Cb 0.00 -3.47 -0.09 0.00 0.00 0.00 0.00 36.38 32.82 2jmg s VAL 128 CO 0.00 0.55 0.93 -0.44 0.00 0.00 0.00 175.10 176.14 2jmg s SER 129 N -1.22 7.57 -0.97 3.32 0.01 -1.26 -5.01 113.70 116.15 2jmg s SER 129 Ca 0.19 1.91 -0.03 0.00 1.31 0.00 0.00 55.95 59.32 2jmg s SER 129 Cb -0.13 -2.60 0.26 0.00 0.21 0.00 0.00 66.02 63.76 2jmg s SER 129 CO 0.08 0.12 1.00 1.67 0.41 0.00 0.00 173.24 176.53 2jmg n GLN 130 N 1.33 3.22 -2.21 12.44 -0.06 -1.26 -4.63 117.38 126.21 2jmg n GLN 130 Ca -0.02 -4.51 -0.01 0.00 -2.00 0.00 0.00 57.00 50.46 2jmg n GLN 130 Cb 0.48 -2.45 0.08 0.00 -4.06 0.00 0.00 30.24 24.28 2jmg n GLN 130 CO 0.00 0.00 0.00 -1.71 -0.20 0.00 0.00 177.06 175.15 2jmg n ASN 131 N 2.08 -0.90 0.00 1.69 2.85 -1.26 -5.31 115.26 114.42 2jmg n ASN 131 Ca 0.24 -1.74 0.00 0.00 -0.11 0.00 0.00 54.58 52.97 2jmg n ASN 131 Cb 0.37 0.43 0.00 0.00 1.24 0.00 0.00 39.78 41.82 2jmg n ASN 131 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15