#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 0.50 0.21 4.61 0.00 -1.26 -4.97 120.51 119.60 2jmg n ALA 3 Ca 0.00 -0.88 0.18 0.00 0.00 0.00 0.00 53.44 52.73 2jmg n ALA 3 Cb 0.00 0.25 0.84 0.00 0.00 0.00 0.00 19.45 20.54 2jmg n ALA 3 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2jmg h ARG 4 N 0.00 0.00 -6.88 0.00 2.43 -2.10 -3.41 114.38 104.43 2jmg h ARG 4 Ca -0.12 0.00 -0.48 0.00 -0.81 0.00 0.00 59.98 58.58 2jmg h ARG 4 Cb 0.52 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.06 2jmg h ARG 4 CO 0.17 0.00 0.19 0.00 -1.51 0.00 0.00 179.97 178.82 2jmg s ALA 5 N -4.59 3.23 -0.21 2.80 0.00 -1.26 -5.07 121.76 116.66 2jmg s ALA 5 Ca -0.05 0.12 -0.31 0.00 0.00 0.00 0.00 51.96 51.73 2jmg s ALA 5 Cb 0.15 -2.89 0.15 0.00 0.00 0.00 0.00 23.12 20.53 2jmg s ALA 5 CO 0.53 0.18 1.17 -1.54 0.00 0.00 0.00 175.76 176.10 2jmg s SER 6 N -2.44 -0.20 0.02 0.00 1.04 -1.26 -4.61 113.70 106.24 2jmg s SER 6 Ca 0.56 0.17 -0.01 0.00 0.48 0.00 0.00 55.95 57.16 2jmg s SER 6 Cb -0.10 0.17 -0.00 0.00 0.10 0.00 0.00 66.02 66.19 2jmg s SER 6 CO 0.19 -0.22 -0.01 0.54 0.98 0.00 0.00 173.24 174.73 2jmg n ARG 7 N 0.45 0.02 -0.60 4.02 3.00 -1.26 -5.07 116.66 117.21 2jmg n ARG 7 Ca -0.04 0.01 -0.29 0.00 -0.01 0.00 0.00 57.85 57.51 2jmg n ARG 7 Cb 0.58 -0.20 0.22 0.00 0.00 0.00 0.00 32.46 33.06 2jmg n ARG 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2jmg s LEU 8 N -5.52 1.60 0.00 0.55 1.43 -1.26 -5.06 118.68 110.42 2jmg s LEU 8 Ca -0.01 1.78 0.02 0.00 -1.03 0.00 0.00 54.13 54.89 2jmg s LEU 8 Cb 0.00 -3.87 -0.01 0.00 0.03 0.00 0.00 46.19 42.35 2jmg s LEU 8 CO 0.01 -3.80 0.39 -1.20 0.23 0.00 0.00 176.35 171.98 2jmg n SER 9 N -4.67 -1.05 -0.37 2.29 7.64 -1.26 -4.99 113.62 111.21 2jmg n SER 9 Ca 0.06 -2.87 0.29 0.00 1.01 0.00 0.00 58.87 57.36 2jmg n SER 9 Cb 0.53 2.08 0.55 0.00 -1.01 0.00 0.00 64.21 66.37 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 1.87 1.51 0.83 0.23 0.00 -1.98 0.39 103.07 105.92 2jmg h GLY 10 Ca -0.24 -0.18 -0.02 0.00 0.00 0.00 0.00 47.33 46.89 2jmg h GLY 10 CO 0.33 -0.35 -0.21 -1.33 0.00 0.00 0.00 176.54 174.99 2jmg h GLY 11 N 0.25 -0.61 1.71 4.60 0.00 -2.02 -2.66 103.07 104.35 2jmg h GLY 11 Ca 0.72 0.23 -0.09 0.00 0.00 0.00 0.00 47.33 48.19 2jmg h GLY 11 CO -0.44 -0.22 -0.30 0.83 0.00 0.00 0.00 176.54 176.41 2jmg h GLU 12 N -0.76 0.34 -0.64 4.80 4.39 -1.52 -3.01 114.58 118.17 2jmg h GLU 12 Ca -0.06 -0.13 0.07 0.00 0.34 0.00 0.00 59.36 59.58 2jmg h GLU 12 Cb 0.53 -0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 29.11 2jmg h GLU 12 CO 0.10 0.61 0.32 1.25 -1.16 0.00 0.00 179.01 180.13 2jmg h LEU 13 N 0.29 0.43 -1.09 1.33 5.85 -0.24 -1.08 115.31 120.81 2jmg h LEU 13 Ca 0.04 0.05 0.31 0.00 0.84 0.00 0.00 57.88 59.12 2jmg h LEU 13 Cb 0.69 -0.03 -0.14 0.00 0.37 0.00 0.00 40.66 41.55 2jmg h LEU 13 CO 0.05 0.27 0.62 -0.78 -0.34 0.00 0.00 178.44 178.26 2jmg h ASP 14 N 0.58 0.51 0.22 1.25 3.58 -1.33 0.36 116.42 121.60 2jmg h ASP 14 Ca 0.30 0.16 -0.33 0.00 0.42 0.00 0.00 57.03 57.58 2jmg h ASP 14 Cb 0.27 0.10 0.03 0.00 1.72 0.00 0.00 39.33 41.45 2jmg h ASP 14 CO -0.23 -0.07 -1.53 0.11 -2.88 0.00 0.00 179.24 174.64 2jmg h LYS 15 N 0.36 0.47 -0.79 0.28 1.57 -1.40 -3.01 116.57 114.05 2jmg h LYS 15 Ca 0.71 -0.80 0.03 0.00 -1.87 0.00 0.00 60.65 58.72 2jmg h LYS 15 Cb 1.66 0.30 -0.04 0.00 0.08 0.00 0.00 32.23 34.23 2jmg h LYS 15 CO -0.52 1.38 0.52 2.35 -0.57 0.00 0.00 179.45 182.62 2jmg h TRP 16 N 0.08 0.95 -0.00 -1.35 2.91 0.40 0.04 115.95 118.99 2jmg h TRP 16 Ca -0.28 0.02 0.00 0.00 1.13 0.00 0.00 58.89 59.76 2jmg h TRP 16 Cb 2.10 -0.32 0.00 0.00 -0.51 0.00 0.00 29.16 30.43 2jmg h TRP 16 CO 0.12 0.56 -0.15 0.39 -1.03 0.00 0.00 178.44 178.33 2jmg n GLU 17 N -4.44 0.52 0.08 2.65 1.02 0.10 -3.37 120.64 117.19 2jmg n GLU 17 Ca 0.10 -0.19 0.12 0.00 -0.02 0.00 0.00 57.16 57.18 2jmg n GLU 17 Cb 0.10 -1.50 0.27 0.00 -0.02 0.00 0.00 31.44 30.29 2jmg n GLU 17 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2jmg n LYS 18 N -1.08 0.28 -2.80 3.49 4.81 -0.01 -4.30 118.16 118.55 2jmg n LYS 18 Ca 0.12 0.14 -0.41 0.00 -0.87 0.00 0.00 58.31 57.29 2jmg n LYS 18 Cb 0.30 -1.74 -0.04 0.00 0.02 0.00 0.00 35.03 33.57 2jmg n LYS 18 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2jmg s ILE 19 N -3.14 4.83 0.10 3.15 1.01 -1.14 -4.98 121.20 121.04 2jmg s ILE 19 Ca 0.08 1.90 -0.24 0.00 0.00 0.00 0.00 60.65 62.40 2jmg s ILE 19 Cb 0.13 -4.25 -0.07 0.00 0.01 0.00 0.00 42.46 38.28 2jmg s ILE 19 CO 0.67 0.22 0.72 -0.13 0.00 0.00 0.00 174.94 176.42 2jmg s ARG 20 N 0.71 4.46 0.09 2.79 0.52 -1.26 -1.63 118.95 124.63 2jmg s ARG 20 Ca 0.47 1.02 -0.16 0.00 -0.52 0.00 0.00 55.73 56.54 2jmg s ARG 20 Cb -0.21 -3.29 -0.09 0.00 0.52 0.00 0.00 34.95 31.88 2jmg s ARG 20 CO 0.26 0.50 1.43 -0.07 0.02 0.00 0.00 175.30 177.43 2jmg h LEU 21 N 4.81 0.64-10.14 2.53 3.38 -1.56 0.33 115.31 115.30 2jmg h LEU 21 Ca -0.47 -0.44 -0.48 0.00 0.09 0.00 0.00 57.88 56.59 2jmg h LEU 21 Cb 1.21 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 2jmg h LEU 21 CO 0.67 0.95 -0.42 -0.13 0.09 0.00 0.00 178.44 179.60 2jmg s ARG 22 N -4.46 2.91 -0.02 1.13 0.52 -1.26 -3.73 118.95 114.04 2jmg s ARG 22 Ca -0.13 -1.15 -0.26 0.00 -0.52 0.00 0.00 55.73 53.67 2jmg s ARG 22 Cb 0.08 -2.62 -0.20 0.00 0.52 0.00 0.00 34.95 32.73 2jmg s ARG 22 CO 0.80 0.12 1.24 -1.00 0.02 0.00 0.00 175.30 176.49 2jmg h PRO 23 N 1.14 -0.04 -0.32 3.54 0.13 -1.93 -3.34 132.00 131.18 2jmg h PRO 23 Ca -0.46 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.48 2jmg h PRO 23 Cb 1.25 0.01 -0.13 0.00 0.13 0.00 0.00 31.00 32.26 2jmg h PRO 23 CO 0.57 0.43 -0.31 0.41 -0.23 0.00 0.00 178.00 178.86 2jmg n GLY 24 N 0.20 5.28 0.00 1.56 0.00 -1.26 -4.89 105.19 106.08 2jmg n GLY 24 Ca -0.08 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.40 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 -1.05 2.25 0.00 -0.02 0.00 -1.25 -5.05 105.19 100.06 2jmg n GLY 25 Ca 0.31 -2.11 0.00 0.00 0.00 0.00 0.00 46.02 44.23 2jmg n GLY 25 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2jmg n LYS 26 N -0.62 -0.50 -2.39 1.61 5.02 -1.26 -4.94 118.16 115.09 2jmg n LYS 26 Ca 0.00 -0.41 -0.30 0.00 -2.02 0.00 0.00 58.31 55.59 2jmg n LYS 26 Cb 0.00 -0.85 -0.01 0.00 -0.02 0.00 0.00 35.03 34.16 2jmg n LYS 26 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2jmg s LYS 27 N -0.05 3.65 0.06 1.97 1.02 -1.26 -5.00 119.74 120.12 2jmg s LYS 27 Ca 0.00 0.52 0.01 0.00 0.02 0.00 0.00 55.97 56.52 2jmg s LYS 27 Cb 0.00 -2.25 -0.00 0.00 -0.52 0.00 0.00 37.83 35.05 2jmg s LYS 27 CO 0.00 -0.31 0.04 0.00 -0.92 0.00 0.00 175.35 174.16 2jmg n GLN 28 N -2.18 0.29 -3.58 1.68 0.00 -1.26 -1.69 117.38 110.63 2jmg n GLN 28 Ca 0.03 -0.57 -0.31 0.00 0.00 0.00 0.00 57.00 56.16 2jmg n GLN 28 Cb 0.54 0.42 -0.05 0.00 0.00 0.00 0.00 30.24 31.16 2jmg n GLN 28 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.06 177.77 2jmg s TYR 29 N -2.11 3.46 0.20 2.61 2.02 -0.64 -4.54 117.35 118.35 2jmg s TYR 29 Ca 0.06 0.62 -0.02 0.00 -0.37 0.00 0.00 57.07 57.35 2jmg s TYR 29 Cb 0.00 -2.06 -0.04 0.00 -0.40 0.00 0.00 41.96 39.47 2jmg s TYR 29 CO 0.04 0.36 0.16 0.15 -1.57 0.00 0.00 175.55 174.69 2jmg s LYS 30 N -2.86 1.23 0.44 -0.62 1.02 -1.26 -4.02 119.74 113.67 2jmg s LYS 30 Ca 0.43 -1.60 0.23 0.00 0.02 0.00 0.00 55.97 55.05 2jmg s LYS 30 Cb -0.12 0.29 1.23 0.00 -0.52 0.00 0.00 37.83 38.72 2jmg s LYS 30 CO 0.25 -0.41 1.78 -0.07 -0.92 0.00 0.00 175.35 175.98 2jmg h LEU 31 N 2.58 0.32 -1.03 3.17 3.38 -1.99 0.45 115.31 122.19 2jmg h LEU 31 Ca -0.35 0.06 0.35 0.00 0.09 0.00 0.00 57.88 58.03 2jmg h LEU 31 Cb 1.25 0.01 -0.15 0.00 0.09 0.00 0.00 40.66 41.86 2jmg h LEU 31 CO 0.51 0.06 0.58 0.11 0.09 0.00 0.00 178.44 179.79 2jmg h LYS 32 N 0.28 0.24 0.03 1.13 1.57 -2.00 0.11 116.57 117.92 2jmg h LYS 32 Ca 0.58 -0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 59.25 2jmg h LYS 32 Cb 1.71 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 33.97 2jmg h LYS 32 CO -0.22 0.16 -0.41 0.45 -0.57 0.00 0.00 179.45 178.86 2jmg h HIS 33 N 0.25 0.36 -0.90 -1.35 3.86 -1.32 -2.24 115.15 113.81 2jmg h HIS 33 Ca 0.76 -0.22 0.25 0.00 -1.16 0.00 0.00 60.37 60.01 2jmg h HIS 33 Cb 1.84 -0.03 -0.04 0.00 1.06 0.00 0.00 27.41 30.23 2jmg h HIS 33 CO -0.01 1.07 0.64 0.82 0.86 0.00 0.00 177.93 181.31 2jmg h ILE 34 N -0.45 0.57 0.05 2.45 2.04 -0.86 0.29 117.51 121.60 2jmg h ILE 34 Ca -0.06 -0.03 -0.14 0.00 1.00 0.00 0.00 64.86 65.63 2jmg h ILE 34 Cb 1.21 0.48 -0.00 0.00 -0.74 0.00 0.00 36.82 37.76 2jmg h ILE 34 CO 0.08 0.02 -0.71 0.58 0.00 0.00 0.00 178.15 178.12 2jmg h VAL 35 N 0.08 1.41 -0.84 1.67 2.07 -1.32 -2.61 116.25 116.72 2jmg h VAL 35 Ca 0.44 -2.37 0.02 0.00 0.82 0.00 0.00 66.70 65.61 2jmg h VAL 35 Cb 1.62 2.99 -0.05 0.00 -1.52 0.00 0.00 31.29 34.34 2jmg h VAL 35 CO -0.05 0.60 0.55 -0.25 0.02 0.00 0.00 177.57 178.44 2jmg h TRP 36 N -0.72 1.03 0.32 1.57 7.01 -0.62 -0.56 115.95 123.98 2jmg h TRP 36 Ca -0.16 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 60.85 2jmg h TRP 36 Cb 1.36 -0.35 0.00 0.00 -2.10 0.00 0.00 29.16 28.07 2jmg h TRP 36 CO 0.20 0.62 -0.15 0.00 -2.79 0.00 0.00 178.44 176.31 2jmg h ALA 37 N 1.33 -0.43 -0.86 2.65 0.00 -0.62 0.36 119.26 121.69 2jmg h ALA 37 Ca 0.32 -0.18 0.23 0.00 0.00 0.00 0.00 54.91 55.28 2jmg h ALA 37 Cb -0.06 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 2jmg h ALA 37 CO -0.09 -0.48 0.60 0.77 0.00 0.00 0.00 179.25 180.05 2jmg h SER 38 N -0.96 0.13 0.11 0.00 0.02 -1.40 -0.49 113.55 110.96 2jmg h SER 38 Ca -0.04 0.01 -0.25 0.00 -0.84 0.00 0.00 61.79 60.67 2jmg h SER 38 Cb 0.51 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 63.04 2jmg h SER 38 CO 0.07 0.05 -1.29 0.03 -1.14 0.00 0.00 176.83 174.55 2jmg h ARG 39 N 0.13 0.23 -0.51 3.45 3.08 -1.07 -3.35 114.38 116.33 2jmg h ARG 39 Ca 0.42 -0.40 0.09 0.00 0.07 0.00 0.00 59.98 60.16 2jmg h ARG 39 Cb 1.46 0.15 -0.07 0.00 0.08 0.00 0.00 29.97 31.58 2jmg h ARG 39 CO -0.06 1.19 0.11 1.49 -1.07 0.00 0.00 179.97 181.63 2jmg h GLU 40 N -0.36 0.24 -1.00 0.04 4.57 0.92 -0.82 114.58 118.16 2jmg h GLU 40 Ca -0.28 -0.01 0.20 0.00 -1.18 0.00 0.00 59.36 58.09 2jmg h GLU 40 Cb 1.70 -0.05 -0.11 0.00 -0.16 0.00 0.00 28.75 30.13 2jmg h GLU 40 CO 0.06 0.16 0.61 -0.07 -1.18 0.00 0.00 179.01 178.59 2jmg h LEU 41 N 0.25 0.75 -2.20 1.64 3.38 -1.30 0.47 115.31 118.30 2jmg h LEU 41 Ca 0.26 0.10 0.05 0.00 0.09 0.00 0.00 57.88 58.38 2jmg h LEU 41 Cb 0.35 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2jmg h LEU 41 CO -0.33 0.25 0.16 -0.08 0.09 0.00 0.00 178.44 178.53 2jmg h GLU 42 N 0.72 0.00 0.00 1.13 4.81 -0.84 0.10 114.58 120.50 2jmg h GLU 42 Ca 0.59 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.71 2jmg h GLU 42 Cb 0.97 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.33 2jmg h GLU 42 CO -0.38 0.00 -1.04 0.00 -0.73 0.00 0.00 179.01 176.86 2jmg h ARG 43 N 0.00 0.00 -1.16 1.92 3.08 -0.06 -3.33 114.38 114.82 2jmg h ARG 43 Ca 0.08 0.00 -0.38 0.00 0.07 0.00 0.00 59.98 59.75 2jmg h ARG 43 Cb 0.41 0.00 -0.20 0.00 0.08 0.00 0.00 29.97 30.26 2jmg h ARG 43 CO -0.00 0.25 0.49 1.19 -1.07 0.00 0.00 179.97 180.83 2jmg n PHE 44 N -2.93 2.05 -1.65 3.04 3.72 0.18 -4.83 117.46 117.05 2jmg n PHE 44 Ca -0.04 -1.81 -0.10 0.00 -0.05 0.00 0.00 57.45 55.46 2jmg n PHE 44 Cb 0.73 -0.89 -0.03 0.00 -0.94 0.00 0.00 39.48 38.35 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 -0.34 -0.36 -3.57 4.37 0.00 -1.18 -4.90 120.51 114.52 2jmg n ALA 45 Ca 0.40 0.13 -0.33 0.00 0.00 0.00 0.00 53.44 53.64 2jmg n ALA 45 Cb 0.96 -1.14 -0.16 0.00 0.00 0.00 0.00 19.45 19.11 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 -2.02 2.25 0.32 0.00 1.01 -0.23 -5.04 120.40 116.69 2jmg s VAL 46 Ca 0.00 -0.92 -0.29 0.00 0.00 0.00 0.00 61.98 60.78 2jmg s VAL 46 Cb 0.00 -1.92 -0.10 0.00 0.00 0.00 0.00 36.38 34.37 2jmg s VAL 46 CO 0.00 0.54 1.21 0.20 0.00 0.00 0.00 175.10 177.05 2jmg s ASN 47 N 0.79 6.95 0.00 3.32 -0.87 -1.26 -2.52 114.94 121.35 2jmg s ASN 47 Ca -0.07 2.50 0.15 0.00 -1.57 0.00 0.00 52.86 53.87 2jmg s ASN 47 Cb -0.16 -2.64 0.79 0.00 -0.02 0.00 0.00 41.25 39.23 2jmg s ASN 47 CO -0.01 -0.39 1.39 -0.81 -2.57 0.00 0.00 177.10 174.71 2jmg n PRO 48 N 0.90 0.28 0.00 -0.60 -0.04 -1.26 -2.83 135.00 131.45 2jmg n PRO 48 Ca -0.00 0.11 0.09 0.00 -0.04 0.00 0.00 63.50 63.66 2jmg n PRO 48 Cb 0.43 -1.50 0.44 0.00 -0.04 0.00 0.00 33.50 32.83 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 -0.03 -0.94 0.03 0.55 0.00 -1.26 -2.48 105.19 101.06 2jmg n GLY 49 Ca 0.08 -0.08 0.14 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.34 0.11 0.06 0.99 4.77 -1.13 -3.02 117.00 117.44 2jmg n LEU 50 Ca 0.08 -0.04 0.12 0.00 -0.03 0.00 0.00 56.01 56.14 2jmg n LEU 50 Cb 0.16 -0.00 0.15 0.00 -2.33 0.00 0.00 43.42 41.40 2jmg n LEU 50 CO 0.15 0.02 0.30 0.18 -1.33 0.00 0.00 177.39 176.70 2jmg n LEU 51 N -0.87 0.69 -2.30 2.23 4.77 -1.03 -3.31 117.00 117.18 2jmg n LEU 51 Ca 0.21 0.20 -0.32 0.00 -0.03 0.00 0.00 56.01 56.07 2jmg n LEU 51 Cb 0.12 -0.17 0.11 0.00 -2.33 0.00 0.00 43.42 41.14 2jmg n LEU 51 CO 0.16 -0.04 1.41 -1.84 -1.33 0.00 0.00 177.39 175.75 2jmg n GLU 52 N -2.10 2.56 -3.46 3.23 0.28 -1.17 -4.83 120.64 115.15 2jmg n GLU 52 Ca 0.03 -3.19 -0.01 0.00 -0.16 0.00 0.00 57.16 53.83 2jmg n GLU 52 Cb 0.44 -2.25 -0.04 0.00 1.43 0.00 0.00 31.44 31.02 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 -4.38 -0.92 0.50 3.84 -4.23 -1.25 -5.02 115.64 104.17 2jmg s THR 53 Ca 0.62 0.02 0.24 0.00 -1.18 0.00 0.00 61.69 61.39 2jmg s THR 53 Cb 0.50 -0.94 0.41 0.00 1.34 0.00 0.00 72.50 73.81 2jmg s THR 53 CO 0.02 -0.00 1.93 -1.28 -0.54 0.00 0.00 174.62 174.76 2jmg h SER 54 N 8.04 0.12 1.72 3.99 0.87 -1.89 0.48 113.55 126.89 2jmg h SER 54 Ca -0.19 0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.33 2jmg h SER 54 Cb 1.13 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 63.06 2jmg h SER 54 CO 0.17 0.06 -0.28 -0.33 -0.53 0.00 0.00 176.83 175.92 2jmg h GLU 55 N 0.13 0.00 -0.06 2.24 4.39 -1.95 -3.33 114.58 116.00 2jmg h GLU 55 Ca 0.35 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 60.01 2jmg h GLU 55 Cb 1.20 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 2jmg h GLU 55 CO -0.05 0.20 -0.11 0.78 -1.16 0.00 0.00 179.01 178.67 2jmg h GLY 56 N 3.80 0.20 0.07 -3.84 0.00 -0.26 -2.75 103.07 100.29 2jmg h GLY 56 Ca -0.01 -0.23 0.01 0.00 0.00 0.00 0.00 47.33 47.10 2jmg h GLY 56 CO 0.03 0.21 -0.27 0.00 0.00 0.00 0.00 176.54 176.50 2jmg h ARG 58 N -0.39 0.56 -0.20 0.00 2.43 -1.69 0.30 114.38 115.39 2jmg h ARG 58 Ca -0.00 -0.03 -0.11 0.00 -0.81 0.00 0.00 59.98 59.02 2jmg h ARG 58 Cb 0.39 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 2jmg h ARG 58 CO -0.15 0.37 -0.35 1.96 -1.51 0.00 0.00 179.97 180.29 2jmg h GLN 59 N 0.58 0.42 -0.55 0.20 1.08 -0.99 -2.11 115.11 113.73 2jmg h GLN 59 Ca 0.57 -0.19 -0.06 0.00 -1.45 0.00 0.00 58.65 57.53 2jmg h GLN 59 Cb 1.16 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 28.56 2jmg h GLN 59 CO -0.34 0.72 0.11 0.82 -0.95 0.00 0.00 178.83 179.19 2jmg h ILE 60 N 0.36 1.23 -0.05 2.54 2.04 0.36 -2.73 117.51 121.26 2jmg h ILE 60 Ca 0.04 -0.87 -0.09 0.00 1.00 0.00 0.00 64.86 64.94 2jmg h ILE 60 Cb 0.79 0.70 0.00 0.00 -0.74 0.00 0.00 36.82 37.57 2jmg h ILE 60 CO 0.06 0.32 -0.33 -0.07 0.00 0.00 0.00 178.15 178.14 2jmg h LEU 61 N 0.82 0.38 -1.28 1.44 3.38 -1.24 -2.92 115.31 115.89 2jmg h LEU 61 Ca 0.17 -0.67 0.19 0.00 0.09 0.00 0.00 57.88 57.66 2jmg h LEU 61 Cb 0.33 -0.11 -0.08 0.00 0.09 0.00 0.00 40.66 40.89 2jmg h LEU 61 CO 0.00 0.99 0.61 1.23 0.09 0.00 0.00 178.44 181.36 2jmg h GLY 62 N -0.21 1.28 2.00 0.83 0.00 -1.28 0.46 103.07 106.15 2jmg h GLY 62 Ca -0.03 -0.28 -0.07 0.00 0.00 0.00 0.00 47.33 46.96 2jmg h GLY 62 CO 0.07 -0.01 -0.33 1.46 0.00 0.00 0.00 176.54 177.73 2jmg h GLN 63 N 0.60 0.00 0.00 4.80 4.20 -1.51 -3.15 115.11 120.04 2jmg h GLN 63 Ca 0.51 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 59.18 2jmg h GLN 63 Cb 1.00 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.77 2jmg h GLN 63 CO -0.26 0.33 -0.83 -0.07 -0.67 0.00 0.00 178.83 177.33 2jmg h LEU 64 N 0.00 0.00 -0.31 1.46 3.38 -0.27 -3.37 115.31 116.19 2jmg h LEU 64 Ca -0.00 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.01 2jmg h LEU 64 Cb 1.14 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.81 2jmg h LEU 64 CO 0.04 0.16 -0.56 -0.61 0.09 0.00 0.00 178.44 177.57 2jmg h GLN 65 N 0.00 -0.45 0.00 1.13 4.15 -0.24 0.77 115.11 120.47 2jmg h GLN 65 Ca -0.03 0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2jmg h GLN 65 Cb 1.15 0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.94 2jmg h GLN 65 CO 0.02 -0.30 0.00 -0.35 -1.93 0.00 0.00 178.83 176.27 2jmg n PRO 66 N -5.40 0.19 -0.05 -2.39 -0.04 -1.26 -2.24 135.00 123.81 2jmg n PRO 66 Ca -0.04 0.16 0.02 0.00 -0.04 0.00 0.00 63.50 63.59 2jmg n PRO 66 Cb 0.36 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.15 2jmg n PRO 66 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2jmg n SER 67 N -1.31 0.02 0.25 3.54 2.88 0.11 -4.26 113.62 114.86 2jmg n SER 67 Ca 0.07 0.01 0.18 0.00 -1.33 0.00 0.00 58.87 57.79 2jmg n SER 67 Cb 0.12 1.54 0.84 0.00 -0.75 0.00 0.00 64.21 65.97 2jmg n SER 67 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2jmg h LEU 68 N 0.00 0.00 0.18 2.46 3.38 0.79 0.52 115.31 122.64 2jmg h LEU 68 Ca -0.23 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.44 2jmg h LEU 68 Cb 1.53 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.30 2jmg h LEU 68 CO 0.01 0.00 -1.42 -0.61 0.09 0.00 0.00 178.44 176.51 2jmg h GLN 69 N 0.00 0.37 0.04 1.13 5.75 -1.74 -3.39 115.11 117.27 2jmg h GLN 69 Ca 0.06 -0.64 -0.00 0.00 -0.15 0.00 0.00 58.65 57.93 2jmg h GLN 69 Cb 0.67 0.24 0.00 0.00 1.07 0.00 0.00 27.48 29.46 2jmg h GLN 69 CO -0.00 1.30 -0.02 1.79 -2.65 0.00 0.00 178.83 179.25 2jmg h THR 70 N -0.09 1.17 -3.22 2.39 1.35 -1.25 -3.46 112.91 109.80 2jmg h THR 70 Ca -0.28 -1.67 -0.41 0.00 -0.55 0.00 0.00 66.41 63.50 2jmg h THR 70 Cb 1.94 2.12 0.21 0.00 -1.73 0.00 0.00 68.15 70.69 2jmg h THR 70 CO 0.16 0.36 -0.02 -0.83 -0.25 0.00 0.00 175.52 174.94 2jmg s GLY 71 N -3.76 1.49 0.00 5.82 0.00 0.16 -5.06 107.32 105.97 2jmg s GLY 71 Ca -0.13 -0.59 0.00 0.00 0.00 0.00 0.00 44.72 44.00 2jmg s GLY 71 CO 0.50 0.29 0.00 -1.14 0.00 0.00 0.00 173.10 172.74 2jmg n SER 72 N -5.20 0.17 0.22 1.64 3.41 -1.26 -4.86 113.62 107.74 2jmg n SER 72 Ca 0.09 -0.62 0.15 0.00 -0.26 0.00 0.00 58.87 58.23 2jmg n SER 72 Cb 0.58 0.00 0.78 0.00 -0.26 0.00 0.00 64.21 65.31 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 5.08 -1.97 -0.86 114.58 121.16 2jmg h GLU 73 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2jmg h GLU 73 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 2jmg h GLU 73 CO 0.00 0.00 -0.08 1.49 -1.00 0.00 0.00 179.01 179.42 2jmg h GLU 74 N 0.00 0.00 0.06 2.33 4.81 -2.01 -2.76 114.58 117.01 2jmg h GLU 74 Ca 0.00 0.00 -0.33 0.00 -0.13 0.00 0.00 59.36 58.90 2jmg h GLU 74 Cb 0.03 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.37 2jmg h GLU 74 CO 0.00 0.08 -1.91 -0.11 -0.73 0.00 0.00 179.01 176.33 2jmg n LEU 75 N -3.35 1.71 -0.20 1.64 7.94 -0.33 -4.23 117.00 120.17 2jmg n LEU 75 Ca -0.01 0.28 -0.01 0.00 -1.11 0.00 0.00 56.01 55.15 2jmg n LEU 75 Cb 0.25 -0.43 0.10 0.00 0.53 0.00 0.00 43.42 43.86 2jmg n LEU 75 CO 0.28 0.63 1.01 -0.09 -1.11 0.00 0.00 177.39 178.11 2jmg h ARG 76 N 0.03 0.46 -0.78 1.96 2.43 -1.51 -1.56 114.38 115.40 2jmg h ARG 76 Ca -0.38 -0.03 0.12 0.00 -0.81 0.00 0.00 59.98 58.89 2jmg h ARG 76 Cb 2.03 -0.10 -0.08 0.00 -0.42 0.00 0.00 29.97 31.39 2jmg h ARG 76 CO 0.07 0.30 0.39 0.77 -1.51 0.00 0.00 179.97 179.99 2jmg h SER 77 N 0.47 0.47 0.23 -3.80 0.02 -1.71 -2.01 113.55 107.22 2jmg h SER 77 Ca 0.29 0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.32 2jmg h SER 77 Cb 0.31 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 2jmg h SER 77 CO -0.26 0.23 -0.15 -0.07 -1.14 0.00 0.00 176.83 175.44 2jmg h LEU 78 N 0.60 -0.37 -0.55 5.07 -0.00 -1.47 -0.11 115.31 118.48 2jmg h LEU 78 Ca 0.41 0.02 0.11 0.00 -0.00 0.00 0.00 57.88 58.43 2jmg h LEU 78 Cb 0.53 0.11 -0.10 0.00 -0.00 0.00 0.00 40.66 41.20 2jmg h LEU 78 CO -0.33 -0.24 -0.09 0.22 -0.00 0.00 0.00 178.44 178.01 2jmg h TYR 79 N -0.37 -0.20 0.00 1.13 5.03 -1.04 0.54 116.97 122.06 2jmg h TYR 79 Ca -0.02 0.05 -0.01 0.00 2.58 0.00 0.00 58.73 61.33 2jmg h TYR 79 Cb 0.31 0.17 -0.00 0.00 1.55 0.00 0.00 36.73 38.76 2jmg h TYR 79 CO -0.09 -0.20 -0.05 -0.91 -1.32 0.00 0.00 178.16 175.59 2jmg h ASN 80 N 0.04 0.00 0.00 -2.11 4.21 -1.18 -2.47 115.58 114.06 2jmg h ASN 80 Ca 0.27 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.78 2jmg h ASN 80 Cb 0.42 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.62 2jmg h ASN 80 CO -0.53 0.05 -0.02 0.74 -1.29 0.00 0.00 177.43 176.38 2jmg h THR 81 N 0.00 0.00 -1.08 2.81 2.02 0.18 -3.27 112.91 113.57 2jmg h THR 81 Ca -0.00 -0.22 0.29 0.00 0.77 0.00 0.00 66.41 67.26 2jmg h THR 81 Cb 0.48 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 66.80 2jmg h THR 81 CO 0.01 0.00 0.71 0.40 0.37 0.00 0.00 175.52 177.00 2jmg h ILE 82 N -0.22 0.46 -1.01 3.11 2.04 -0.50 0.36 117.51 121.77 2jmg h ILE 82 Ca 0.00 -0.11 0.03 0.00 1.00 0.00 0.00 64.86 65.78 2jmg h ILE 82 Cb 0.02 0.12 -0.05 0.00 -0.74 0.00 0.00 36.82 36.16 2jmg h ILE 82 CO 0.00 0.06 0.66 0.00 0.00 0.00 0.00 178.15 178.87 2jmg h ALA 83 N 1.60 1.32 -0.00 1.87 0.00 -1.59 0.20 119.26 122.65 2jmg h ALA 83 Ca 0.62 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 55.37 2jmg h ALA 83 Cb 1.71 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 2jmg h ALA 83 CO -0.28 0.61 -0.49 0.28 0.00 0.00 0.00 179.25 179.36 2jmg h VAL 84 N 1.32 1.36 0.19 0.00 2.07 -0.33 -3.12 116.25 117.72 2jmg h VAL 84 Ca 0.39 -1.70 -0.32 0.00 0.82 0.00 0.00 66.70 65.89 2jmg h VAL 84 Cb -0.07 1.91 0.03 0.00 -1.52 0.00 0.00 31.29 31.64 2jmg h VAL 84 CO -0.10 0.49 -1.37 0.25 0.02 0.00 0.00 177.57 176.86 2jmg h LEU 85 N 0.01 0.87 -0.77 2.57 5.85 -0.92 -3.23 115.31 119.69 2jmg h LEU 85 Ca -0.00 -0.87 0.17 0.00 0.84 0.00 0.00 57.88 58.02 2jmg h LEU 85 Cb 0.88 -0.28 -0.11 0.00 0.37 0.00 0.00 40.66 41.52 2jmg h LEU 85 CO 0.06 1.67 0.23 0.22 -0.34 0.00 0.00 178.44 180.28 2jmg h TYR 86 N 0.22 0.37 -0.05 1.25 3.20 -0.59 0.32 116.97 121.70 2jmg h TYR 86 Ca -0.22 0.04 -0.09 0.00 3.14 0.00 0.00 58.73 61.60 2jmg h TYR 86 Cb 2.05 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 40.26 2jmg h TYR 86 CO 0.12 -0.06 -0.36 0.00 -1.64 0.00 0.00 178.16 176.22 2jmg h VAL 88 N 0.09 0.85 0.00 0.00 2.07 -0.39 0.75 116.25 119.63 2jmg h VAL 88 Ca 0.01 -0.64 -0.25 0.00 0.82 0.00 0.00 66.70 66.65 2jmg h VAL 88 Cb 0.69 1.37 -0.05 0.00 -1.52 0.00 0.00 31.29 31.79 2jmg h VAL 88 CO 0.05 0.16 -1.90 1.41 0.02 0.00 0.00 177.57 177.32 2jmg n HIS 89 N -3.95 0.52 1.41 1.57 -0.00 -0.88 -4.06 115.22 109.83 2jmg n HIS 89 Ca -0.02 0.18 0.06 0.00 -0.00 0.00 0.00 57.72 57.94 2jmg n HIS 89 Cb 0.26 -1.01 0.23 0.00 -0.00 0.00 0.00 29.99 29.46 2jmg n HIS 89 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 176.34 177.28 2jmg n GLN 90 N -2.80 1.47 -3.13 -0.41 -0.06 -0.62 -4.87 117.38 106.95 2jmg n GLN 90 Ca -0.19 -0.72 -0.14 0.00 -2.00 0.00 0.00 57.00 53.96 2jmg n GLN 90 Cb 0.97 -1.23 0.07 0.00 -4.06 0.00 0.00 30.24 25.99 2jmg n GLN 90 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 2jmg n ARG 91 N 0.02 -4.69 -4.66 3.69 3.00 -0.95 -5.03 116.66 108.04 2jmg n ARG 91 Ca 0.10 0.70 -0.23 0.00 -0.01 0.00 0.00 57.85 58.41 2jmg n ARG 91 Cb 0.19 -5.24 -0.16 0.00 0.00 0.00 0.00 32.46 27.26 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 -3.30 1.17 -0.36 0.55 1.01 0.22 -5.05 121.20 115.43 2jmg s ILE 92 Ca 0.08 -0.59 -0.14 0.00 0.00 0.00 0.00 60.65 60.01 2jmg s ILE 92 Cb -0.01 -1.00 -0.01 0.00 0.01 0.00 0.00 42.46 41.45 2jmg s ILE 92 CO 0.60 0.34 0.28 -0.62 0.00 0.00 0.00 174.94 175.54 2jmg s ASP 93 N -0.01 6.09 0.06 3.58 -1.08 -1.26 -4.28 116.67 119.77 2jmg s ASP 93 Ca -0.01 -0.53 -0.08 0.00 -0.52 0.00 0.00 52.55 51.41 2jmg s ASP 93 Cb -0.09 -2.15 -0.05 0.00 -1.46 0.00 0.00 42.92 39.16 2jmg s ASP 93 CO 0.01 -0.32 0.35 0.68 0.52 0.00 0.00 175.17 176.41 2jmg s VAL 94 N 1.76 5.18 -0.20 1.11 -7.23 -1.26 -5.00 120.40 114.77 2jmg s VAL 94 Ca 0.07 0.27 0.17 0.00 -1.81 0.00 0.00 61.98 60.68 2jmg s VAL 94 Cb -0.18 -3.61 0.07 0.00 0.56 0.00 0.00 36.38 33.22 2jmg s VAL 94 CO 0.11 0.27 1.35 0.50 -0.31 0.00 0.00 175.10 177.02 2jmg h LYS 95 N 3.66 0.00 -2.23 4.82 1.63 -1.94 -3.44 116.57 119.07 2jmg h LYS 95 Ca -0.49 0.00 0.30 0.00 -0.85 0.00 0.00 60.65 59.62 2jmg h LYS 95 Cb 1.19 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 32.76 2jmg h LYS 95 CO 0.67 0.36 0.83 0.16 -3.45 0.00 0.00 179.45 178.03 2jmg s ASP 96 N -6.25 0.01 0.11 4.20 1.47 -1.26 -4.08 116.67 110.87 2jmg s ASP 96 Ca 0.03 -0.31 0.16 0.00 1.18 0.00 0.00 52.55 53.61 2jmg s ASP 96 Cb 0.07 0.22 0.71 0.00 -0.34 0.00 0.00 42.92 43.58 2jmg s ASP 96 CO 0.75 -0.45 1.50 0.41 0.68 0.00 0.00 175.17 178.06 2jmg n THR 97 N -0.87 1.08 -0.04 2.11 -1.04 0.10 -1.90 114.28 113.74 2jmg n THR 97 Ca 0.02 0.32 -0.01 0.00 -2.04 0.00 0.00 64.05 62.34 2jmg n THR 97 Cb 0.59 -1.19 -0.00 0.00 -1.82 0.00 0.00 70.33 67.90 2jmg n THR 97 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 2jmg h LYS 98 N 0.00 0.00 -0.42 -2.82 1.63 -1.86 -3.23 116.57 109.88 2jmg h LYS 98 Ca 0.00 0.00 0.09 0.00 -0.85 0.00 0.00 60.65 59.89 2jmg h LYS 98 Cb 0.23 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.84 2jmg h LYS 98 CO 0.00 0.00 0.29 1.49 -3.45 0.00 0.00 179.45 177.78 2jmg h GLU 99 N -0.59 0.15 0.26 1.90 4.81 -1.94 -2.23 114.58 116.93 2jmg h GLU 99 Ca 0.00 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 2jmg h GLU 99 Cb 0.16 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.51 2jmg h GLU 99 CO 0.00 0.10 -0.13 0.00 -0.73 0.00 0.00 179.01 178.25 2jmg h ALA 100 N 1.79 -0.35 -0.21 2.92 0.00 -1.55 0.24 119.26 122.09 2jmg h ALA 100 Ca 0.20 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.03 2jmg h ALA 100 Cb 0.58 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.45 2jmg h ALA 100 CO -0.03 -0.61 -0.15 -0.07 0.00 0.00 0.00 179.25 178.39 2jmg h LEU 101 N -0.51 -0.49 0.03 0.00 3.38 -1.42 -1.38 115.31 114.92 2jmg h LEU 101 Ca -0.04 0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 2jmg h LEU 101 Cb 0.38 0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2jmg h LEU 101 CO 0.06 -0.19 -0.01 0.44 0.09 0.00 0.00 178.44 178.83 2jmg h ASP 102 N -0.15 -0.03 -0.63 -0.43 3.32 -1.46 -1.98 116.42 115.06 2jmg h ASP 102 Ca 0.12 0.00 0.16 0.00 0.02 0.00 0.00 57.03 57.34 2jmg h ASP 102 Cb 0.33 0.01 -0.12 0.00 0.22 0.00 0.00 39.33 39.77 2jmg h ASP 102 CO -0.30 -0.02 -0.03 1.17 -1.72 0.00 0.00 179.24 178.34 2jmg n LYS 103 N -2.13 -0.05 0.35 3.56 3.00 0.85 0.13 118.16 123.87 2jmg n LYS 103 Ca -0.00 0.95 -0.14 0.00 -0.00 0.00 0.00 58.31 59.12 2jmg n LYS 103 Cb 0.01 -1.49 -0.07 0.00 0.00 0.00 0.00 35.03 33.49 2jmg n LYS 103 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.40 178.22 2jmg h ILE 104 N 0.00 0.00 -1.03 3.15 2.04 -1.27 -3.00 117.51 117.40 2jmg h ILE 104 Ca 0.36 -0.14 0.26 0.00 1.00 0.00 0.00 64.86 66.34 2jmg h ILE 104 Cb 0.71 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.70 2jmg h ILE 104 CO -0.61 0.00 0.66 -0.08 0.00 0.00 0.00 178.15 178.13 2jmg h GLU 105 N -1.04 0.39 -0.97 2.37 4.81 0.50 0.25 114.58 120.89 2jmg h GLU 105 Ca -0.09 -0.02 0.10 0.00 -0.13 0.00 0.00 59.36 59.22 2jmg h GLU 105 Cb 0.69 -0.09 -0.07 0.00 0.63 0.00 0.00 28.75 29.91 2jmg h GLU 105 CO 0.15 0.26 0.62 1.49 -0.73 0.00 0.00 179.01 180.80 2jmg h GLU 106 N 0.41 0.97 -0.31 1.92 4.81 -0.30 -0.56 114.58 121.51 2jmg h GLU 106 Ca 0.59 -0.06 -0.08 0.00 -0.13 0.00 0.00 59.36 59.68 2jmg h GLU 106 Cb 1.47 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 30.61 2jmg h GLU 106 CO -0.29 0.64 -0.15 1.49 -0.73 0.00 0.00 179.01 179.97 2jmg h GLU 107 N 1.00 0.55 -0.68 1.92 4.81 -0.40 -2.81 114.58 118.98 2jmg h GLU 107 Ca 0.46 -0.18 -0.05 0.00 -0.13 0.00 0.00 59.36 59.46 2jmg h GLU 107 Cb 0.40 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.70 2jmg h GLU 107 CO -0.22 0.69 0.21 1.96 -0.73 0.00 0.00 179.01 180.92 2jmg h GLN 108 N 0.50 1.04 -0.17 1.92 7.50 -1.00 -2.65 115.11 122.26 2jmg h GLN 108 Ca 0.09 -0.21 0.01 0.00 0.50 0.00 0.00 58.65 59.04 2jmg h GLN 108 Cb 0.56 -0.16 -0.02 0.00 0.05 0.00 0.00 27.48 27.92 2jmg h GLN 108 CO 0.04 0.89 0.07 -0.97 -1.50 0.00 0.00 178.83 177.36 2jmg h ASN 109 N 1.01 0.10 -0.20 1.46 -1.24 -1.18 -1.81 115.58 113.71 2jmg h ASN 109 Ca 0.22 0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.24 2jmg h ASN 109 Cb 0.29 -0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.32 2jmg h ASN 109 CO -0.01 0.08 0.13 0.11 -1.29 0.00 0.00 177.43 176.45 2jmg h LYS 110 N 0.16 0.26 -0.94 6.67 1.79 -1.45 -1.53 116.57 121.53 2jmg h LYS 110 Ca 0.07 -0.02 -0.56 0.00 -2.18 0.00 0.00 60.65 57.96 2jmg h LYS 110 Cb 0.03 -0.06 -0.29 0.00 -1.58 0.00 0.00 32.23 30.33 2jmg h LYS 110 CO -0.06 0.18 0.64 0.43 -1.08 0.00 0.00 179.45 179.56 2jmg n SER 111 N -4.50 5.25 -0.11 0.86 7.64 -0.75 -4.33 113.62 117.67 2jmg n SER 111 Ca -0.00 -3.70 -0.14 0.00 1.01 0.00 0.00 58.87 56.04 2jmg n SER 111 Cb 0.08 -0.86 -0.11 0.00 -1.01 0.00 0.00 64.21 62.30 2jmg n SER 111 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2jmg n LYS 112 N -1.04 0.72 0.18 1.43 4.81 -0.58 -3.39 118.16 120.29 2jmg n LYS 112 Ca 0.59 0.09 0.04 0.00 -0.87 0.00 0.00 58.31 58.16 2jmg n LYS 112 Cb 1.21 -1.45 0.32 0.00 0.02 0.00 0.00 35.03 35.12 2jmg n LYS 112 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 2jmg h LYS 113 N 0.00 0.00 0.00 1.64 6.56 -1.76 -2.74 116.57 120.27 2jmg h LYS 113 Ca -0.50 0.00 -0.26 0.00 -1.06 0.00 0.00 60.65 58.83 2jmg h LYS 113 Cb 1.87 0.00 -0.05 0.00 -0.57 0.00 0.00 32.23 33.49 2jmg h LYS 113 CO -0.05 0.41 -1.71 1.63 -2.06 0.00 0.00 179.45 177.67 2jmg n LYS 114 N -3.62 0.64 -1.21 3.15 5.02 -1.26 -4.08 118.16 116.80 2jmg n LYS 114 Ca -0.01 0.22 -0.26 0.00 -2.02 0.00 0.00 58.31 56.25 2jmg n LYS 114 Cb 0.51 -1.76 0.15 0.00 -0.02 0.00 0.00 35.03 33.92 2jmg n LYS 114 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2jmg n ALA 115 N -2.52 5.68 -0.89 7.82 0.00 -1.18 -4.46 120.51 124.96 2jmg n ALA 115 Ca -0.16 -2.93 -0.13 0.00 0.00 0.00 0.00 53.44 50.22 2jmg n ALA 115 Cb 0.99 -1.51 0.22 0.00 0.00 0.00 0.00 19.45 19.15 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 -1.02 2.79 -0.02 0.00 7.27 -1.04 -4.07 117.38 121.28 2jmg n GLN 116 Ca 0.58 -2.70 -0.01 0.00 0.07 0.00 0.00 57.00 54.94 2jmg n GLN 116 Cb 1.39 -2.09 -0.05 0.00 2.41 0.00 0.00 30.24 31.90 2jmg n GLN 116 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 2jmg n GLN 117 N -0.52 2.13 -0.09 3.69 6.02 -1.26 -4.74 117.38 122.60 2jmg n GLN 117 Ca 0.45 -0.02 -0.21 0.00 -0.01 0.00 0.00 57.00 57.20 2jmg n GLN 117 Cb 1.42 -1.17 -0.12 0.00 1.02 0.00 0.00 30.24 31.38 2jmg n GLN 117 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2jmg h ALA 118 N 0.43 0.27 0.00 -1.58 0.00 -1.93 -3.40 119.26 113.04 2jmg h ALA 118 Ca -0.13 -1.19 -0.66 0.00 0.00 0.00 0.00 54.91 52.92 2jmg h ALA 118 Cb 1.10 0.70 -0.00 0.00 0.00 0.00 0.00 17.79 19.59 2jmg h ALA 118 CO 0.01 0.73 3.23 0.00 0.00 0.00 0.00 179.25 183.22 2jmg n ALA 119 N -3.33 5.87 -2.56 0.00 0.00 -1.26 -3.82 120.51 115.41 2jmg n ALA 119 Ca -0.31 -3.56 -0.01 0.00 0.00 0.00 0.00 53.44 49.57 2jmg n ALA 119 Cb 0.71 -3.46 0.05 0.00 0.00 0.00 0.00 19.45 16.75 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 5.31 -0.25 -2.69 0.00 0.00 -1.26 -4.97 120.51 116.65 2jmg n ALA 120 Ca 0.60 -0.37 -0.08 0.00 0.00 0.00 0.00 53.44 53.59 2jmg n ALA 120 Cb 0.32 -0.62 0.08 0.00 0.00 0.00 0.00 19.45 19.23 2jmg n ALA 120 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2jmg n ASP 121 N -0.56 -0.57 -4.82 0.00 8.00 -1.25 -5.09 116.55 112.27 2jmg n ASP 121 Ca -0.07 -2.54 -0.33 0.00 0.71 0.00 0.00 54.79 52.56 2jmg n ASP 121 Cb 0.64 0.40 -0.07 0.00 -0.02 0.00 0.00 41.12 42.07 2jmg n ASP 121 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2jmg s THR 122 N -1.13 4.39 0.00 -3.53 -4.23 -1.26 -4.69 115.64 105.19 2jmg s THR 122 Ca 0.24 1.49 0.00 0.00 -1.18 0.00 0.00 61.69 62.23 2jmg s THR 122 Cb 0.42 -3.61 0.00 0.00 1.34 0.00 0.00 72.50 70.65 2jmg s THR 122 CO -0.04 -0.30 0.00 0.61 -0.54 0.00 0.00 174.62 174.35 2jmg n GLY 123 N -0.59 0.54 3.83 3.99 0.00 -1.26 -5.12 105.19 106.59 2jmg n GLY 123 Ca 0.07 -0.11 -0.03 0.00 0.00 0.00 0.00 46.02 45.95 2jmg n GLY 123 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jmg s ASN 124 N -4.00 -0.05 0.03 1.61 2.20 -1.26 -5.19 114.94 108.28 2jmg s ASN 124 Ca 0.00 -0.58 -0.28 0.00 -0.94 0.00 0.00 52.86 51.06 2jmg s ASN 124 Cb 0.00 0.49 0.07 0.00 -2.00 0.00 0.00 41.25 39.81 2jmg s ASN 124 CO 0.00 -0.94 0.65 0.54 -2.94 0.00 0.00 177.10 174.40 2jmg s ASN 125 N -3.25 -0.62 -1.87 3.54 4.22 -1.26 -4.92 114.94 110.77 2jmg s ASN 125 Ca 0.19 0.44 0.00 0.00 -2.14 0.00 0.00 52.86 51.34 2jmg s ASN 125 Cb -0.02 0.56 0.00 0.00 1.28 0.00 0.00 41.25 43.07 2jmg s ASN 125 CO 0.04 -0.75 0.00 -1.20 -2.04 0.00 0.00 177.10 173.15 2jmg n SER 126 N 0.41 -5.78 -4.77 3.54 7.64 -1.26 -4.97 113.62 108.45 2jmg n SER 126 Ca -0.18 0.11 -0.29 0.00 1.01 0.00 0.00 58.87 59.52 2jmg n SER 126 Cb 0.60 -4.86 0.12 0.00 -1.01 0.00 0.00 64.21 59.06 2jmg n SER 126 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jmg s GLN 127 N -4.71 1.46 0.04 1.43 -2.07 -1.26 -5.09 119.66 109.47 2jmg s GLN 127 Ca 0.00 0.57 -0.02 0.00 -1.82 0.00 0.00 55.36 54.10 2jmg s GLN 127 Cb 0.00 -1.85 -0.03 0.00 -1.09 0.00 0.00 33.01 30.04 2jmg s GLN 127 CO 0.00 -2.04 -0.00 0.14 -1.32 0.00 0.00 175.29 172.07 2jmg s VAL 128 N -3.12 0.18 0.84 3.63 -7.23 -1.26 -5.15 120.40 108.29 2jmg s VAL 128 Ca 0.63 -1.49 -0.13 0.00 -1.81 0.00 0.00 61.98 59.18 2jmg s VAL 128 Cb -0.16 -1.15 0.05 0.00 0.56 0.00 0.00 36.38 35.69 2jmg s VAL 128 CO 0.55 -0.82 0.88 -1.20 -0.31 0.00 0.00 175.10 174.20 2jmg n SER 129 N 0.52 -0.20 -4.76 4.85 7.64 -1.26 -5.03 113.62 115.38 2jmg n SER 129 Ca -0.17 0.51 -0.25 0.00 1.01 0.00 0.00 58.87 59.97 2jmg n SER 129 Cb 0.59 -1.38 -0.07 0.00 -1.01 0.00 0.00 64.21 62.35 2jmg n SER 129 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jmg s GLN 130 N -3.78 2.23 0.77 1.43 -2.07 -1.26 -5.14 119.66 111.83 2jmg s GLN 130 Ca 0.67 -1.88 -0.13 0.00 -1.82 0.00 0.00 55.36 52.21 2jmg s GLN 130 Cb -0.28 -1.98 0.18 0.00 -1.09 0.00 0.00 33.01 29.84 2jmg s GLN 130 CO 0.57 -0.17 0.98 0.27 -1.32 0.00 0.00 175.29 175.62 2jmg n ASN 131 N -1.29 -0.19 0.00 12.60 6.94 -1.26 -5.37 115.26 126.69 2jmg n ASN 131 Ca -0.02 -1.31 0.00 0.00 -0.02 0.00 0.00 54.58 53.23 2jmg n ASN 131 Cb 0.65 -0.77 0.00 0.00 -2.36 0.00 0.00 39.78 37.30 2jmg n ASN 131 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23