#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 4.41 -0.66 4.61 0.00 -1.26 -5.01 121.76 123.85 2jmg s ALA 3 Ca 0.00 -1.86 -0.03 0.00 0.00 0.00 0.00 51.96 50.08 2jmg s ALA 3 Cb 0.00 -1.66 0.24 0.00 0.00 0.00 0.00 23.12 21.70 2jmg s ALA 3 CO 0.00 -0.78 2.32 -2.13 0.00 0.00 0.00 175.76 175.17 2jmg n ARG 4 N -2.24 2.57 -2.78 0.00 0.63 -1.26 -4.92 116.66 108.67 2jmg n ARG 4 Ca 0.13 -2.96 -0.07 0.00 -0.92 0.00 0.00 57.85 54.03 2jmg n ARG 4 Cb 0.60 -2.19 -0.03 0.00 0.45 0.00 0.00 32.46 31.30 2jmg n ARG 4 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2jmg n ALA 5 N 0.02 0.25 -2.36 5.13 0.00 -1.26 -5.18 120.51 117.11 2jmg n ALA 5 Ca 0.52 -0.68 -0.18 0.00 0.00 0.00 0.00 53.44 53.09 2jmg n ALA 5 Cb 0.40 0.54 -0.10 0.00 0.00 0.00 0.00 19.45 20.29 2jmg n ALA 5 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2jmg s SER 6 N -1.81 2.39 -0.14 0.00 0.15 -1.26 -4.97 113.70 108.06 2jmg s SER 6 Ca 0.13 -1.11 -0.27 0.00 0.70 0.00 0.00 55.95 55.41 2jmg s SER 6 Cb 0.01 -0.10 -0.24 0.00 -1.71 0.00 0.00 66.02 63.98 2jmg s SER 6 CO 0.09 -0.31 0.69 0.03 1.20 0.00 0.00 173.24 174.95 2jmg h ARG 7 N 2.48 0.00 -6.27 5.44 2.47 -2.02 -3.45 114.38 113.03 2jmg h ARG 7 Ca -0.38 0.00 -0.67 0.00 -1.26 0.00 0.00 59.98 57.66 2jmg h ARG 7 Cb 1.22 0.00 0.03 0.00 -1.65 0.00 0.00 29.97 29.57 2jmg h ARG 7 CO 0.64 0.92 0.79 1.28 0.56 0.00 0.00 179.97 184.16 2jmg n LEU 8 N -4.62 2.50 0.00 3.04 4.77 -1.26 -4.97 117.00 116.46 2jmg n LEU 8 Ca -0.10 1.07 -0.14 0.00 -0.03 0.00 0.00 56.01 56.81 2jmg n LEU 8 Cb 0.45 -1.25 0.07 0.00 -2.33 0.00 0.00 43.42 40.36 2jmg n LEU 8 CO 0.31 -0.51 0.32 -1.54 -1.33 0.00 0.00 177.39 174.64 2jmg n SER 9 N 4.47 0.92 -0.30 -1.43 3.41 -1.26 -4.77 113.62 114.66 2jmg n SER 9 Ca 0.22 -1.75 0.11 0.00 -0.26 0.00 0.00 58.87 57.19 2jmg n SER 9 Cb 0.21 -0.37 0.28 0.00 -0.26 0.00 0.00 64.21 64.06 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 -0.29 1.46 0.54 5.00 0.00 -1.97 0.37 103.07 108.18 2jmg h GLY 10 Ca -0.20 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 46.94 2jmg h GLY 10 CO 0.22 -0.20 -0.45 -1.33 0.00 0.00 0.00 176.54 174.78 2jmg h GLY 11 N 0.45 -1.10 2.00 4.60 0.00 -2.01 -1.92 103.07 105.11 2jmg h GLY 11 Ca 0.52 0.53 -0.04 0.00 0.00 0.00 0.00 47.33 48.34 2jmg h GLY 11 CO -0.48 -0.35 -0.19 -2.09 0.00 0.00 0.00 176.54 173.43 2jmg h GLU 12 N -0.91 0.00 0.00 4.80 4.57 -1.77 -2.55 114.58 118.72 2jmg h GLU 12 Ca -0.04 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.09 2jmg h GLU 12 Cb 0.80 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.39 2jmg h GLU 12 CO -0.07 0.19 -0.21 1.25 -1.18 0.00 0.00 179.01 178.99 2jmg h LEU 13 N 0.00 0.00 -0.56 1.64 5.85 0.32 -1.40 115.31 121.16 2jmg h LEU 13 Ca -0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 2jmg h LEU 13 Cb 0.58 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.58 2jmg h LEU 13 CO 0.02 0.21 0.26 -0.78 -0.34 0.00 0.00 178.44 177.82 2jmg h ASP 14 N 0.00 0.73 0.24 1.25 1.82 -0.92 -0.80 116.42 118.74 2jmg h ASP 14 Ca -0.00 -0.14 -0.31 0.00 -0.39 0.00 0.00 57.03 56.19 2jmg h ASP 14 Cb 0.45 -0.19 0.03 0.00 0.68 0.00 0.00 39.33 40.30 2jmg h ASP 14 CO 0.03 0.67 -1.33 0.11 -1.61 0.00 0.00 179.24 177.10 2jmg h LYS 15 N 0.75 0.55 -0.73 0.28 6.56 -1.63 -2.46 116.57 119.90 2jmg h LYS 15 Ca 0.19 -0.82 0.02 0.00 -1.06 0.00 0.00 60.65 58.97 2jmg h LYS 15 Cb 0.13 0.29 -0.04 0.00 -0.57 0.00 0.00 32.23 32.04 2jmg h LYS 15 CO -0.02 1.38 0.48 2.35 -2.06 0.00 0.00 179.45 181.58 2jmg h TRP 16 N 0.21 0.89 -0.00 -1.35 2.91 -1.17 -0.79 115.95 116.64 2jmg h TRP 16 Ca -0.21 0.02 0.00 0.00 1.13 0.00 0.00 58.89 59.83 2jmg h TRP 16 Cb 2.01 -0.30 0.00 0.00 -0.51 0.00 0.00 29.16 30.36 2jmg h TRP 16 CO 0.11 0.55 -0.34 0.39 -1.03 0.00 0.00 178.44 178.12 2jmg n GLU 17 N -4.44 0.38 0.16 2.65 1.02 -0.32 -3.66 120.64 116.43 2jmg n GLU 17 Ca 0.08 -0.20 0.12 0.00 -0.02 0.00 0.00 57.16 57.14 2jmg n GLU 17 Cb 0.07 -1.50 0.26 0.00 -0.02 0.00 0.00 31.44 30.25 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 0.50 0.00 -5.96 3.49 3.11 -0.64 -3.42 116.57 113.65 2jmg h LYS 18 Ca 0.00 0.00 -0.62 0.00 -2.81 0.00 0.00 60.65 57.22 2jmg h LYS 18 Cb 0.49 0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 31.67 2jmg h LYS 18 CO 0.00 0.00 -0.33 0.42 -2.81 0.00 0.00 179.45 176.73 2jmg s ILE 19 N -3.17 5.22 0.25 2.00 1.01 -1.12 -4.94 121.20 120.45 2jmg s ILE 19 Ca 0.08 0.33 0.07 0.00 0.00 0.00 0.00 60.65 61.13 2jmg s ILE 19 Cb 0.09 -3.60 -0.04 0.00 0.01 0.00 0.00 42.46 38.93 2jmg s ILE 19 CO 0.65 0.38 0.17 0.00 0.00 0.00 0.00 174.94 176.15 2jmg s ARG 20 N -1.68 2.85 0.09 2.79 3.03 -0.97 -2.21 118.95 122.85 2jmg s ARG 20 Ca 0.28 -1.09 0.02 0.00 2.03 0.00 0.00 55.73 56.97 2jmg s ARG 20 Cb -0.14 -2.52 -0.24 0.00 -1.03 0.00 0.00 34.95 31.02 2jmg s ARG 20 CO 0.16 0.40 1.17 -0.07 -1.13 0.00 0.00 175.30 175.83 2jmg h LEU 21 N 1.54 0.18 -9.80 -1.89 3.38 -1.79 -2.52 115.31 104.41 2jmg h LEU 21 Ca -0.48 -0.20 -0.53 0.00 0.09 0.00 0.00 57.88 56.76 2jmg h LEU 21 Cb 1.24 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 41.86 2jmg h LEU 21 CO 0.61 1.16 -0.55 -0.13 0.09 0.00 0.00 178.44 179.62 2jmg s ARG 22 N -2.68 2.50 0.00 1.13 0.52 -1.26 -3.95 118.95 115.21 2jmg s ARG 22 Ca -0.02 -1.40 -0.24 0.00 -0.52 0.00 0.00 55.73 53.56 2jmg s ARG 22 Cb 0.09 -2.28 -0.18 0.00 0.52 0.00 0.00 34.95 33.10 2jmg s ARG 22 CO 0.85 0.22 1.30 -1.00 0.02 0.00 0.00 175.30 176.68 2jmg h PRO 23 N 1.57 0.15 -0.12 3.54 0.13 -1.95 -3.36 132.00 131.96 2jmg h PRO 23 Ca -0.45 -0.08 -0.13 0.00 -0.87 0.00 0.00 66.00 64.48 2jmg h PRO 23 Cb 1.25 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.22 2jmg h PRO 23 CO 0.61 0.59 -0.70 0.41 -0.23 0.00 0.00 178.00 178.69 2jmg n GLY 24 N 0.20 4.21 0.00 1.56 0.00 -1.26 -4.87 105.19 105.04 2jmg n GLY 24 Ca -0.07 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.57 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 -0.67 1.11 0.00 -0.02 0.00 -1.26 -5.05 105.19 99.30 2jmg n GLY 25 Ca 0.19 -1.98 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 -0.71 6.39 -2.60 1.61 4.76 -1.26 -4.96 118.16 121.38 2jmg n LYS 26 Ca 0.00 -0.00 -0.39 0.00 -2.87 0.00 0.00 58.31 55.05 2jmg n LYS 26 Cb 0.00 -0.56 -0.05 0.00 -1.84 0.00 0.00 35.03 32.58 2jmg n LYS 26 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2jmg s LYS 27 N -1.12 4.61 0.44 1.97 -0.14 -1.26 -5.05 119.74 119.19 2jmg s LYS 27 Ca 0.00 1.60 0.03 0.00 -1.36 0.00 0.00 55.97 56.24 2jmg s LYS 27 Cb 0.01 -3.05 -0.01 0.00 -1.68 0.00 0.00 37.83 33.10 2jmg s LYS 27 CO 0.03 0.24 0.10 1.04 -0.76 0.00 0.00 175.35 176.00 2jmg n GLN 28 N 0.96 0.65 -3.22 1.68 3.00 -1.26 -2.74 117.38 116.45 2jmg n GLN 28 Ca 0.00 -3.51 -0.39 0.00 -0.01 0.00 0.00 57.00 53.09 2jmg n GLN 28 Cb 0.47 1.58 -0.06 0.00 0.00 0.00 0.00 30.24 32.23 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 -2.99 3.76 0.19 1.08 2.02 -0.94 -4.70 117.35 115.76 2jmg s TYR 29 Ca 0.14 1.27 -0.00 0.00 -0.37 0.00 0.00 57.07 58.11 2jmg s TYR 29 Cb 0.01 -2.57 -0.04 0.00 -0.40 0.00 0.00 41.96 38.95 2jmg s TYR 29 CO 0.10 0.47 0.08 0.15 -1.57 0.00 0.00 175.55 174.78 2jmg s LYS 30 N -0.68 1.16 0.49 -0.62 1.02 -1.26 -4.17 119.74 115.68 2jmg s LYS 30 Ca 0.31 -1.59 0.32 0.00 0.02 0.00 0.00 55.97 55.02 2jmg s LYS 30 Cb -0.19 0.05 1.43 0.00 -0.52 0.00 0.00 37.83 38.59 2jmg s LYS 30 CO 0.19 -0.29 1.76 1.25 -0.92 0.00 0.00 175.35 177.34 2jmg h LEU 31 N 2.64 0.15 -1.33 3.17 5.85 -1.98 0.20 115.31 124.02 2jmg h LEU 31 Ca -0.36 0.04 0.32 0.00 0.84 0.00 0.00 57.88 58.71 2jmg h LEU 31 Cb 1.23 0.02 -0.11 0.00 0.37 0.00 0.00 40.66 42.16 2jmg h LEU 31 CO 0.58 0.01 0.71 0.50 -0.34 0.00 0.00 178.44 179.90 2jmg h LYS 32 N 0.12 0.29 0.17 1.25 3.64 -2.00 0.20 116.57 120.25 2jmg h LYS 32 Ca 0.62 -0.02 -0.32 0.00 -1.27 0.00 0.00 60.65 59.66 2jmg h LYS 32 Cb 2.17 -0.07 0.01 0.00 -0.41 0.00 0.00 32.23 33.93 2jmg h LYS 32 CO -0.13 0.19 -1.55 0.45 -2.27 0.00 0.00 179.45 176.15 2jmg h HIS 33 N 0.30 0.67 -0.09 1.91 3.86 -1.01 -2.66 115.15 118.13 2jmg h HIS 33 Ca 0.67 -0.49 -0.04 0.00 -1.16 0.00 0.00 60.37 59.36 2jmg h HIS 33 Cb 1.82 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 30.26 2jmg h HIS 33 CO -0.00 1.50 -0.13 0.82 0.86 0.00 0.00 177.93 180.98 2jmg h ILE 34 N 0.10 1.14 0.05 2.45 2.04 -0.72 -1.93 117.51 120.65 2jmg h ILE 34 Ca -0.26 -0.64 -0.08 0.00 1.00 0.00 0.00 64.86 64.88 2jmg h ILE 34 Cb 2.07 1.22 0.01 0.00 -0.74 0.00 0.00 36.82 39.38 2jmg h ILE 34 CO 0.20 0.20 -0.36 0.58 0.00 0.00 0.00 178.15 178.76 2jmg h VAL 35 N 0.13 1.65 -1.01 1.67 2.07 -1.04 -2.85 116.25 116.88 2jmg h VAL 35 Ca 0.03 -2.41 0.12 0.00 0.82 0.00 0.00 66.70 65.25 2jmg h VAL 35 Cb 0.31 3.28 -0.08 0.00 -1.52 0.00 0.00 31.29 33.27 2jmg h VAL 35 CO 0.02 0.64 0.64 -0.25 0.02 0.00 0.00 177.57 178.63 2jmg h TRP 36 N -0.76 1.15 0.18 1.57 7.01 -1.36 0.32 115.95 124.06 2jmg h TRP 36 Ca -0.07 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 60.95 2jmg h TRP 36 Cb 1.25 -0.37 0.00 0.00 -2.10 0.00 0.00 29.16 27.95 2jmg h TRP 36 CO 0.24 0.46 -0.09 0.00 -2.79 0.00 0.00 178.44 176.27 2jmg h ALA 37 N 1.54 -0.24 -0.88 2.65 0.00 -1.46 0.25 119.26 121.11 2jmg h ALA 37 Ca 0.49 -0.21 0.13 0.00 0.00 0.00 0.00 54.91 55.33 2jmg h ALA 37 Cb 0.47 0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.29 2jmg h ALA 37 CO -0.26 -0.41 0.57 1.03 0.00 0.00 0.00 179.25 180.18 2jmg h SER 38 N -0.71 0.67 0.02 0.00 0.87 -1.21 -0.41 113.55 112.79 2jmg h SER 38 Ca -0.03 0.04 -0.05 0.00 -1.23 0.00 0.00 61.79 60.52 2jmg h SER 38 Cb 0.50 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.36 2jmg h SER 38 CO 0.04 0.35 -0.19 0.03 -0.53 0.00 0.00 176.83 176.53 2jmg h ARG 39 N 0.72 0.10 -0.35 2.24 2.47 -0.92 -3.28 114.38 115.35 2jmg h ARG 39 Ca 0.43 -0.13 0.08 0.00 -1.26 0.00 0.00 59.98 59.10 2jmg h ARG 39 Cb 0.65 0.04 -0.08 0.00 -1.65 0.00 0.00 29.97 28.94 2jmg h ARG 39 CO -0.19 0.97 -0.16 1.49 0.56 0.00 0.00 179.97 182.64 2jmg h GLU 40 N -0.72 -0.10 -0.97 0.04 4.22 0.03 0.28 114.58 117.36 2jmg h GLU 40 Ca -0.03 0.01 0.23 0.00 0.08 0.00 0.00 59.36 59.65 2jmg h GLU 40 Cb 1.06 0.02 -0.08 0.00 0.50 0.00 0.00 28.75 30.25 2jmg h GLU 40 CO 0.04 -0.06 0.64 -0.07 -2.18 0.00 0.00 179.01 177.37 2jmg h LEU 41 N -0.10 0.43 -1.89 1.64 3.38 -1.21 0.43 115.31 117.99 2jmg h LEU 41 Ca 0.18 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.20 2jmg h LEU 41 Cb 0.37 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 2jmg h LEU 41 CO -0.42 0.14 0.04 -0.08 0.09 0.00 0.00 178.44 178.21 2jmg h GLU 42 N 0.41 0.11 0.00 1.13 4.81 -0.61 0.86 114.58 121.28 2jmg h GLU 42 Ca 0.52 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.74 2jmg h GLU 42 Cb 1.32 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.67 2jmg h GLU 42 CO -0.22 0.09 -0.34 -0.09 -0.73 0.00 0.00 179.01 177.71 2jmg h ARG 43 N 0.11 0.00 -1.07 1.92 2.43 -0.08 -3.29 114.38 114.41 2jmg h ARG 43 Ca 0.03 0.00 -0.51 0.00 -0.81 0.00 0.00 59.98 58.69 2jmg h ARG 43 Cb 0.01 0.00 -0.26 0.00 -0.42 0.00 0.00 29.97 29.31 2jmg h ARG 43 CO -0.00 0.02 0.65 1.19 -1.51 0.00 0.00 179.97 180.32 2jmg n PHE 44 N -2.98 2.70 -2.21 2.20 3.01 -0.26 -4.85 117.46 115.07 2jmg n PHE 44 Ca 0.03 -2.17 -0.09 0.00 1.01 0.00 0.00 57.45 56.23 2jmg n PHE 44 Cb 0.55 -1.07 -0.01 0.00 -0.01 0.00 0.00 39.48 38.94 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 -0.75 -0.69 -2.46 4.37 0.00 -1.19 -4.92 120.51 114.87 2jmg n ALA 45 Ca 0.52 0.09 -0.26 0.00 0.00 0.00 0.00 53.44 53.79 2jmg n ALA 45 Cb 1.10 -1.19 -0.14 0.00 0.00 0.00 0.00 19.45 19.22 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 -2.31 1.77 0.12 0.00 1.01 0.13 -5.04 120.40 116.08 2jmg s VAL 46 Ca 0.00 -1.27 -0.22 0.00 0.00 0.00 0.00 61.98 60.49 2jmg s VAL 46 Cb 0.00 -1.54 -0.07 0.00 0.00 0.00 0.00 36.38 34.77 2jmg s VAL 46 CO 0.00 0.22 0.67 0.21 0.00 0.00 0.00 175.10 176.20 2jmg s ASN 47 N -1.25 7.22 0.43 3.32 3.84 -1.26 -2.48 114.94 124.76 2jmg s ASN 47 Ca 0.08 1.45 0.21 0.00 0.21 0.00 0.00 52.86 54.82 2jmg s ASN 47 Cb -0.09 -2.43 0.93 0.00 -0.55 0.00 0.00 41.25 39.11 2jmg s ASN 47 CO 0.02 0.24 1.85 1.55 -2.79 0.00 0.00 177.10 177.97 2jmg h PRO 48 N 4.47 0.00 0.00 0.43 0.13 -1.90 -2.97 132.00 132.16 2jmg h PRO 48 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2jmg h PRO 48 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2jmg h PRO 48 CO 0.65 0.28 0.13 0.78 -0.23 0.00 0.00 178.00 179.60 2jmg h GLY 49 N 1.67 0.00 1.60 1.56 0.00 -1.93 -1.18 103.07 104.79 2jmg h GLY 49 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2jmg h GLY 49 CO 0.04 0.00 0.22 1.41 0.00 0.00 0.00 176.54 178.21 2jmg h LEU 50 N 0.00 0.47 0.00 3.11 3.38 -1.89 0.32 115.31 120.70 2jmg h LEU 50 Ca 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2jmg h LEU 50 Cb 0.25 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2jmg h LEU 50 CO 0.00 0.38 0.00 0.18 0.09 0.00 0.00 178.44 179.09 2jmg n LEU 51 N -4.44 0.00 0.16 1.67 4.77 -0.44 -2.95 117.00 115.77 2jmg n LEU 51 Ca 0.03 0.30 0.02 0.00 -0.03 0.00 0.00 56.01 56.32 2jmg n LEU 51 Cb 0.09 -0.30 0.24 0.00 -2.33 0.00 0.00 43.42 41.13 2jmg n LEU 51 CO 0.36 -0.06 0.58 -0.08 -1.33 0.00 0.00 177.39 176.85 2jmg h GLU 52 N 0.00 0.00 -6.82 3.23 4.81 -1.05 -3.45 114.58 111.30 2jmg h GLU 52 Ca 0.00 0.00 -0.68 0.00 -0.13 0.00 0.00 59.36 58.55 2jmg h GLU 52 Cb 0.23 0.00 -0.21 0.00 0.63 0.00 0.00 28.75 29.41 2jmg h GLU 52 CO 0.00 0.51 -0.85 0.95 -0.73 0.00 0.00 179.01 178.89 2jmg s THR 53 N -3.59 2.36 0.30 0.32 -4.23 -1.15 -5.03 115.64 104.62 2jmg s THR 53 Ca -0.01 -1.78 -0.01 0.00 -1.18 0.00 0.00 61.69 58.71 2jmg s THR 53 Cb 0.12 -2.07 0.20 0.00 1.34 0.00 0.00 72.50 72.09 2jmg s THR 53 CO 0.73 0.05 1.90 0.77 -0.54 0.00 0.00 174.62 177.53 2jmg h SER 54 N 3.71 0.80 -0.53 3.99 4.64 -1.86 -2.58 113.55 121.71 2jmg h SER 54 Ca -0.50 -0.09 -0.02 0.00 -0.47 0.00 0.00 61.79 60.71 2jmg h SER 54 Cb 1.18 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 63.04 2jmg h SER 54 CO 0.42 0.69 0.24 -0.33 -0.87 0.00 0.00 176.83 176.98 2jmg h GLU 55 N 0.88 0.77 -0.91 4.77 4.39 -1.96 -2.75 114.58 119.76 2jmg h GLU 55 Ca 0.22 -0.12 0.01 0.00 0.34 0.00 0.00 59.36 59.81 2jmg h GLU 55 Cb 0.11 -0.13 -0.05 0.00 -0.10 0.00 0.00 28.75 28.58 2jmg h GLU 55 CO -0.03 0.64 0.60 0.78 -1.16 0.00 0.00 179.01 179.85 2jmg h GLY 56 N 0.71 1.28 0.98 -3.84 0.00 -1.55 -2.61 103.07 98.03 2jmg h GLY 56 Ca 0.18 -0.48 -0.05 0.00 0.00 0.00 0.00 47.33 46.99 2jmg h GLY 56 CO -0.02 0.47 -0.48 0.00 0.00 0.00 0.00 176.54 176.51 2jmg h ARG 58 N -1.30 0.24 -0.94 0.00 2.47 -1.42 0.32 114.38 113.74 2jmg h ARG 58 Ca -0.13 -0.01 0.04 0.00 -1.26 0.00 0.00 59.98 58.62 2jmg h ARG 58 Cb 1.01 -0.05 -0.06 0.00 -1.65 0.00 0.00 29.97 29.22 2jmg h ARG 58 CO 0.20 0.16 0.61 0.37 0.56 0.00 0.00 179.97 181.86 2jmg h GLN 59 N 0.24 1.12 0.04 0.04 5.75 -1.28 -0.22 115.11 120.80 2jmg h GLN 59 Ca 0.47 -0.07 -0.00 0.00 -0.15 0.00 0.00 58.65 58.90 2jmg h GLN 59 Cb 0.86 -0.25 0.00 0.00 1.07 0.00 0.00 27.48 29.16 2jmg h GLN 59 CO -0.58 0.74 -0.02 0.82 -2.65 0.00 0.00 178.83 177.15 2jmg h ILE 60 N 1.15 1.34 -0.82 2.39 2.04 0.23 -3.10 117.51 120.75 2jmg h ILE 60 Ca 0.38 -1.29 0.13 0.00 1.00 0.00 0.00 64.86 65.08 2jmg h ILE 60 Cb 0.05 2.18 -0.06 0.00 -0.74 0.00 0.00 36.82 38.26 2jmg h ILE 60 CO -0.14 0.32 0.53 -0.07 0.00 0.00 0.00 178.15 178.80 2jmg h LEU 61 N -0.62 0.59 -1.25 1.44 3.38 -0.45 -0.27 115.31 118.12 2jmg h LEU 61 Ca -0.00 0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 2jmg h LEU 61 Cb 0.56 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 2jmg h LEU 61 CO 0.01 0.32 -0.06 1.23 0.09 0.00 0.00 178.44 180.03 2jmg h GLY 62 N 0.64 0.48 1.12 0.83 0.00 -1.03 0.45 103.07 105.56 2jmg h GLY 62 Ca 0.40 -0.29 -0.16 0.00 0.00 0.00 0.00 47.33 47.27 2jmg h GLY 62 CO -0.16 0.27 -0.38 1.46 0.00 0.00 0.00 176.54 177.74 2jmg h GLN 63 N 0.43 0.93 0.00 4.80 7.50 -0.98 -3.08 115.11 124.71 2jmg h GLN 63 Ca 0.09 -0.49 -0.03 0.00 0.50 0.00 0.00 58.65 58.72 2jmg h GLN 63 Cb 0.37 0.02 -0.00 0.00 0.05 0.00 0.00 27.48 27.91 2jmg h GLN 63 CO 0.02 1.15 -0.45 -0.07 -1.50 0.00 0.00 178.83 177.98 2jmg h LEU 64 N 0.75 0.00 -0.33 1.46 3.38 -1.21 -3.37 115.31 115.99 2jmg h LEU 64 Ca 0.06 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.08 2jmg h LEU 64 Cb 0.97 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.65 2jmg h LEU 64 CO 0.09 0.11 -0.54 -0.61 0.09 0.00 0.00 178.44 177.58 2jmg h GLN 65 N 0.00 -0.43 0.00 1.13 4.15 -0.00 0.49 115.11 120.45 2jmg h GLN 65 Ca -0.01 0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.44 2jmg h GLN 65 Cb 1.09 0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.88 2jmg h GLN 65 CO 0.01 -0.28 0.00 -0.35 -1.93 0.00 0.00 178.83 176.28 2jmg n PRO 66 N -5.40 0.28 -0.00 -2.39 -0.04 -1.25 -1.90 135.00 124.30 2jmg n PRO 66 Ca -0.04 0.11 0.08 0.00 -0.04 0.00 0.00 63.50 63.61 2jmg n PRO 66 Cb 0.35 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.22 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 -1.21 0.81 0.24 3.54 2.88 0.13 -4.38 113.62 115.63 2jmg n SER 67 Ca 0.08 -0.80 0.13 0.00 -1.33 0.00 0.00 58.87 56.95 2jmg n SER 67 Cb 0.10 1.08 0.78 0.00 -0.75 0.00 0.00 64.21 65.42 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 -0.78 2.46 3.38 0.30 0.25 115.31 120.92 2jmg h LEU 68 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2jmg h LEU 68 Cb 0.43 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.14 2jmg h LEU 68 CO 0.00 0.00 0.50 -0.61 0.09 0.00 0.00 178.44 178.42 2jmg h GLN 69 N 0.00 1.03 -0.98 1.13 4.15 -1.76 -3.25 115.11 115.43 2jmg h GLN 69 Ca 0.03 -0.07 -0.41 0.00 0.77 0.00 0.00 58.65 58.97 2jmg h GLN 69 Cb 0.16 -0.23 -0.41 0.00 0.21 0.00 0.00 27.48 27.22 2jmg h GLN 69 CO -0.00 0.70 -1.02 2.41 -1.93 0.00 0.00 178.83 178.99 2jmg n THR 70 N -4.53 1.57 -3.76 2.39 -1.04 -0.66 -5.08 114.28 103.17 2jmg n THR 70 Ca 0.08 -3.62 -0.37 0.00 -2.04 0.00 0.00 64.05 58.09 2jmg n THR 70 Cb 0.03 0.11 -0.06 0.00 -1.82 0.00 0.00 70.33 68.59 2jmg n THR 70 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2jmg s GLY 71 N -3.43 2.24 1.18 3.41 0.00 0.79 -5.04 107.32 106.46 2jmg s GLY 71 Ca 0.35 -0.53 -0.18 0.00 0.00 0.00 0.00 44.72 44.36 2jmg s GLY 71 CO -0.03 -0.19 1.11 -1.35 0.00 0.00 0.00 173.10 172.64 2jmg s SER 72 N -0.90 1.14 0.60 1.64 1.04 -1.26 -4.62 113.70 111.34 2jmg s SER 72 Ca 0.17 0.71 0.30 0.00 0.48 0.00 0.00 55.95 57.60 2jmg s SER 72 Cb -0.13 -1.01 1.72 0.00 0.10 0.00 0.00 66.02 66.70 2jmg s SER 72 CO 0.06 -3.99 2.13 -0.08 0.98 0.00 0.00 173.24 172.34 2jmg h GLU 73 N -2.49 0.00 0.32 4.02 4.81 -1.99 -1.35 114.58 117.91 2jmg h GLU 73 Ca -0.46 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.75 2jmg h GLU 73 Cb 1.30 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.68 2jmg h GLU 73 CO 0.38 0.00 -0.15 0.93 -0.73 0.00 0.00 179.01 179.43 2jmg h GLU 74 N 0.00 -0.42 -0.42 1.92 3.07 -1.99 -2.29 114.58 114.45 2jmg h GLU 74 Ca 0.07 0.03 0.04 0.00 -0.50 0.00 0.00 59.36 59.00 2jmg h GLU 74 Cb 0.40 0.09 -0.04 0.00 -0.84 0.00 0.00 28.75 28.36 2jmg h GLU 74 CO -0.00 -0.15 0.18 1.25 -1.40 0.00 0.00 179.01 178.90 2jmg h LEU 75 N -1.03 0.24 -0.72 1.33 6.46 -1.79 -1.67 115.31 118.13 2jmg h LEU 75 Ca -0.04 0.03 0.05 0.00 -0.12 0.00 0.00 57.88 57.80 2jmg h LEU 75 Cb 0.46 -0.01 -0.05 0.00 -0.73 0.00 0.00 40.66 40.33 2jmg h LEU 75 CO 0.07 0.18 0.43 0.03 -0.62 0.00 0.00 178.44 178.53 2jmg h ARG 76 N 0.38 0.77 -0.73 1.25 2.47 -1.36 -1.86 114.38 115.29 2jmg h ARG 76 Ca 0.19 -0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 58.85 2jmg h ARG 76 Cb 0.13 -0.17 -0.03 0.00 -1.65 0.00 0.00 29.97 28.24 2jmg h ARG 76 CO -0.16 0.51 0.42 0.77 0.56 0.00 0.00 179.97 182.07 2jmg h SER 77 N 0.79 0.90 0.51 7.04 0.02 -0.79 -2.23 113.55 119.79 2jmg h SER 77 Ca 0.31 -0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 61.16 2jmg h SER 77 Cb 0.15 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.46 2jmg h SER 77 CO -0.16 0.72 -0.25 -0.07 -1.14 0.00 0.00 176.83 175.93 2jmg h LEU 78 N 1.01 -0.61 -0.76 5.07 -0.00 -0.61 -1.31 115.31 118.11 2jmg h LEU 78 Ca 0.26 0.02 0.14 0.00 -0.00 0.00 0.00 57.88 58.31 2jmg h LEU 78 Cb 0.01 0.16 -0.09 0.00 -0.00 0.00 0.00 40.66 40.73 2jmg h LEU 78 CO -0.04 -0.43 0.31 0.22 -0.00 0.00 0.00 178.44 178.50 2jmg h TYR 79 N -0.70 0.53 0.00 1.13 3.20 -1.25 0.45 116.97 120.33 2jmg h TYR 79 Ca -0.07 0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.81 2jmg h TYR 79 Cb 0.54 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 38.69 2jmg h TYR 79 CO -0.05 0.07 -0.15 -0.91 -1.64 0.00 0.00 178.16 175.48 2jmg h ASN 80 N 0.45 0.00 0.00 -2.11 4.21 -1.16 -1.91 115.58 115.07 2jmg h ASN 80 Ca 0.42 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.93 2jmg h ASN 80 Cb 0.63 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.83 2jmg h ASN 80 CO -0.40 0.15 -0.07 0.74 -1.29 0.00 0.00 177.43 176.56 2jmg h THR 81 N 0.00 0.00 -1.12 2.81 2.02 0.89 -3.30 112.91 114.21 2jmg h THR 81 Ca -0.00 -0.29 0.32 0.00 0.77 0.00 0.00 66.41 67.21 2jmg h THR 81 Cb 0.42 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.72 2jmg h THR 81 CO 0.02 0.00 0.71 0.40 0.37 0.00 0.00 175.52 177.02 2jmg h ILE 82 N -0.29 0.38 -0.81 3.11 2.04 -0.61 0.42 117.51 121.76 2jmg h ILE 82 Ca 0.00 -0.10 0.02 0.00 1.00 0.00 0.00 64.86 65.78 2jmg h ILE 82 Cb 0.07 0.06 -0.05 0.00 -0.74 0.00 0.00 36.82 36.16 2jmg h ILE 82 CO 0.00 0.05 0.52 0.00 0.00 0.00 0.00 178.15 178.73 2jmg h ALA 83 N 1.64 1.04 0.59 1.87 0.00 -1.51 0.03 119.26 122.92 2jmg h ALA 83 Ca 0.68 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.51 2jmg h ALA 83 Cb 1.84 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 19.34 2jmg h ALA 83 CO -0.36 0.37 -0.28 0.28 0.00 0.00 0.00 179.25 179.26 2jmg h VAL 84 N 1.04 0.07 -0.97 0.00 2.07 -0.26 -3.21 116.25 114.99 2jmg h VAL 84 Ca 0.31 -0.41 0.19 0.00 0.82 0.00 0.00 66.70 67.61 2jmg h VAL 84 Cb -0.04 0.11 -0.11 0.00 -1.52 0.00 0.00 31.29 29.72 2jmg h VAL 84 CO -0.09 0.01 0.57 0.25 0.02 0.00 0.00 177.57 178.33 2jmg h LEU 85 N -1.18 0.70 -0.83 2.57 5.85 -1.39 -0.11 115.31 120.92 2jmg h LEU 85 Ca -0.08 0.10 0.20 0.00 0.84 0.00 0.00 57.88 58.94 2jmg h LEU 85 Cb 0.63 -0.01 -0.12 0.00 0.37 0.00 0.00 40.66 41.53 2jmg h LEU 85 CO 0.13 0.23 0.29 0.22 -0.34 0.00 0.00 178.44 178.97 2jmg h TYR 86 N 0.70 0.47 -0.03 1.25 5.03 -0.99 0.40 116.97 123.80 2jmg h TYR 86 Ca 0.57 0.04 -0.13 0.00 2.58 0.00 0.00 58.73 61.79 2jmg h TYR 86 Cb 0.91 -0.08 -0.01 0.00 1.55 0.00 0.00 36.73 39.09 2jmg h TYR 86 CO -0.03 -0.07 -0.56 0.00 -1.32 0.00 0.00 178.16 176.18 2jmg h VAL 88 N 0.08 1.28 0.00 0.00 2.07 0.05 0.45 116.25 120.18 2jmg h VAL 88 Ca -0.00 -1.32 -0.19 0.00 0.82 0.00 0.00 66.70 66.00 2jmg h VAL 88 Cb 1.01 1.70 -0.03 0.00 -1.52 0.00 0.00 31.29 32.46 2jmg h VAL 88 CO 0.08 0.38 -1.20 0.45 0.02 0.00 0.00 177.57 177.30 2jmg h HIS 89 N 0.01 0.00 -0.35 1.57 3.86 -0.96 -3.31 115.15 115.98 2jmg h HIS 89 Ca -0.00 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.15 2jmg h HIS 89 Cb 0.68 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.12 2jmg h HIS 89 CO 0.00 0.75 0.07 0.94 0.86 0.00 0.00 177.93 180.55 2jmg n GLN 90 N -3.10 2.79 -3.48 2.45 0.00 -0.91 -4.88 117.38 110.24 2jmg n GLN 90 Ca -0.07 -1.65 -0.18 0.00 -0.00 0.00 0.00 57.00 55.10 2jmg n GLN 90 Cb 0.89 -1.85 0.07 0.00 0.00 0.00 0.00 30.24 29.35 2jmg n GLN 90 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 2jmg n ARG 91 N 0.19 -5.85 -4.53 3.69 0.63 -1.17 -5.01 116.66 104.61 2jmg n ARG 91 Ca 0.18 0.79 -0.21 0.00 -0.92 0.00 0.00 57.85 57.69 2jmg n ARG 91 Cb 0.83 -5.68 -0.15 0.00 0.45 0.00 0.00 32.46 27.90 2jmg n ARG 91 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2jmg s ILE 92 N -3.44 0.95 -0.23 5.15 1.01 0.16 -5.03 121.20 119.76 2jmg s ILE 92 Ca 0.04 -0.51 -0.02 0.00 0.00 0.00 0.00 60.65 60.16 2jmg s ILE 92 Cb -0.01 -0.79 0.02 0.00 0.01 0.00 0.00 42.46 41.69 2jmg s ILE 92 CO 0.75 0.27 -0.07 -0.62 0.00 0.00 0.00 174.94 175.27 2jmg s ASP 93 N -0.27 4.15 0.19 3.58 -1.08 -1.26 -3.73 116.67 118.26 2jmg s ASP 93 Ca 0.04 -0.72 0.07 0.00 -0.52 0.00 0.00 52.55 51.42 2jmg s ASP 93 Cb -0.05 -1.66 -0.04 0.00 -1.46 0.00 0.00 42.92 39.71 2jmg s ASP 93 CO -0.00 -0.08 0.09 0.68 0.52 0.00 0.00 175.17 176.37 2jmg s VAL 94 N 1.36 4.10 -0.04 1.11 -7.23 -1.26 -5.07 120.40 113.38 2jmg s VAL 94 Ca 0.02 -1.35 -0.00 0.00 -1.81 0.00 0.00 61.98 58.84 2jmg s VAL 94 Cb -0.15 -3.12 -0.00 0.00 0.56 0.00 0.00 36.38 33.67 2jmg s VAL 94 CO -0.05 -0.18 -0.01 0.50 -0.31 0.00 0.00 175.10 175.05 2jmg h LYS 95 N 2.29 0.00 -5.46 4.82 3.64 -1.93 -3.42 116.57 116.51 2jmg h LYS 95 Ca -0.47 0.00 -0.53 0.00 -1.27 0.00 0.00 60.65 58.38 2jmg h LYS 95 Cb 1.21 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.90 2jmg h LYS 95 CO 0.61 0.00 -0.63 0.16 -2.27 0.00 0.00 179.45 177.32 2jmg s ASP 96 N -3.92 2.98 0.24 4.20 1.47 -1.26 -2.30 116.67 118.08 2jmg s ASP 96 Ca -0.00 -1.32 -0.07 0.00 1.18 0.00 0.00 52.55 52.34 2jmg s ASP 96 Cb 0.00 -0.21 0.43 0.00 -0.34 0.00 0.00 42.92 42.80 2jmg s ASP 96 CO 0.01 -0.47 1.64 0.74 0.68 0.00 0.00 175.17 177.77 2jmg h THR 97 N 2.05 0.37 -0.00 2.11 2.02 -1.57 -0.59 112.91 117.30 2jmg h THR 97 Ca -0.42 -0.04 0.02 0.00 0.77 0.00 0.00 66.41 66.75 2jmg h THR 97 Cb 1.24 0.24 -0.03 0.00 -1.74 0.00 0.00 68.15 67.86 2jmg h THR 97 CO 0.72 0.02 -0.14 0.50 0.37 0.00 0.00 175.52 176.99 2jmg h LYS 98 N 0.12 -0.23 -0.85 6.66 3.64 -1.90 -2.20 116.57 121.82 2jmg h LYS 98 Ca 0.40 0.02 0.21 0.00 -1.27 0.00 0.00 60.65 60.01 2jmg h LYS 98 Cb 0.71 0.05 -0.13 0.00 -0.41 0.00 0.00 32.23 32.45 2jmg h LYS 98 CO -0.64 -0.15 0.28 0.93 -2.27 0.00 0.00 179.45 177.60 2jmg h GLU 99 N -0.24 0.28 0.21 1.90 4.39 -1.52 -0.48 114.58 119.13 2jmg h GLU 99 Ca 0.05 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.73 2jmg h GLU 99 Cb 0.30 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 2jmg h GLU 99 CO -0.14 0.19 -0.17 0.00 -1.16 0.00 0.00 179.01 177.73 2jmg h ALA 100 N 1.71 -0.37 -0.01 3.43 0.00 -0.92 -0.77 119.26 122.34 2jmg h ALA 100 Ca 0.52 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.40 2jmg h ALA 100 Cb 0.99 0.22 -0.06 0.00 0.00 0.00 0.00 17.79 18.95 2jmg h ALA 100 CO -0.58 -0.72 -0.43 -0.07 0.00 0.00 0.00 179.25 177.45 2jmg h LEU 101 N -0.39 -1.31 -1.03 0.00 -0.00 -0.76 0.38 115.31 112.20 2jmg h LEU 101 Ca -0.01 0.16 0.00 0.00 -0.00 0.00 0.00 57.88 58.03 2jmg h LEU 101 Cb 0.35 0.51 0.00 0.00 -0.00 0.00 0.00 40.66 41.52 2jmg h LEU 101 CO -0.01 -0.46 0.00 -0.67 -0.00 0.00 0.00 178.44 177.30 2jmg n ASP 102 N -5.45 0.46 -0.08 -0.43 -0.08 -0.72 -1.22 116.55 109.04 2jmg n ASP 102 Ca -0.06 0.69 -0.10 0.00 -1.51 0.00 0.00 54.79 53.82 2jmg n ASP 102 Cb 0.37 -0.76 -0.06 0.00 2.34 0.00 0.00 41.12 43.02 2jmg n ASP 102 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 2jmg h LYS 103 N 0.00 0.00 -0.23 -0.67 1.79 0.11 -3.25 116.57 114.32 2jmg h LYS 103 Ca 0.00 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.44 2jmg h LYS 103 Cb 0.07 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.70 2jmg h LYS 103 CO 0.00 0.41 0.01 0.82 -1.08 0.00 0.00 179.45 179.61 2jmg h ILE 104 N -1.00 1.14 -0.36 1.86 2.04 -0.23 -2.61 117.51 118.36 2jmg h ILE 104 Ca -0.10 -0.53 -0.03 0.00 1.00 0.00 0.00 64.86 65.21 2jmg h ILE 104 Cb 0.69 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 2jmg h ILE 104 CO -0.06 0.18 0.13 -0.08 0.00 0.00 0.00 178.15 178.32 2jmg h GLU 105 N 0.32 0.55 -0.45 2.37 4.81 -1.34 -2.39 114.58 118.46 2jmg h GLU 105 Ca 0.08 -0.11 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 2jmg h GLU 105 Cb 0.21 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 2jmg h GLU 105 CO 0.00 0.55 0.19 1.49 -0.73 0.00 0.00 179.01 180.52 2jmg h GLU 106 N 0.43 0.63 0.00 1.92 4.22 -1.50 -1.53 114.58 118.75 2jmg h GLU 106 Ca 0.12 -0.08 -0.07 0.00 0.08 0.00 0.00 59.36 59.41 2jmg h GLU 106 Cb 0.22 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2jmg h GLU 106 CO -0.01 0.51 -0.33 1.49 -2.18 0.00 0.00 179.01 178.50 2jmg h GLU 107 N 0.63 0.00 0.00 1.92 4.81 -1.19 -2.67 114.58 118.08 2jmg h GLU 107 Ca 0.16 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.26 2jmg h GLU 107 Cb 0.10 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 2jmg h GLU 107 CO -0.02 0.33 -0.61 0.37 -0.73 0.00 0.00 179.01 178.35 2jmg h GLN 108 N 0.00 0.00 0.00 1.92 -0.00 -0.78 -3.09 115.11 113.15 2jmg h GLN 108 Ca -0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.62 2jmg h GLN 108 Cb 0.70 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 28.17 2jmg h GLN 108 CO 0.04 0.61 -0.13 -0.97 0.00 0.00 0.00 178.83 178.38 2jmg h ASN 109 N 0.00 0.00 0.09 -0.69 -0.73 -1.18 -1.98 115.58 111.09 2jmg h ASN 109 Ca -0.01 0.00 -0.13 0.00 1.87 0.00 0.00 56.30 58.03 2jmg h ASN 109 Cb 1.22 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.80 2jmg h ASN 109 CO 0.08 0.13 -0.44 0.50 -0.37 0.00 0.00 177.43 177.33 2jmg h LYS 110 N 0.00 0.43 0.00 6.67 3.64 -1.61 -0.20 116.57 125.50 2jmg h LYS 110 Ca -0.00 -0.23 -0.08 0.00 -1.27 0.00 0.00 60.65 59.07 2jmg h LYS 110 Cb 0.25 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 2jmg h LYS 110 CO 0.02 0.79 -0.39 1.03 -2.27 0.00 0.00 179.45 178.62 2jmg h SER 111 N 0.35 0.00 0.74 4.20 0.87 -1.47 -1.06 113.55 117.18 2jmg h SER 111 Ca 0.03 0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 60.39 2jmg h SER 111 Cb 0.92 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.85 2jmg h SER 111 CO 0.08 0.39 -1.38 0.50 -0.53 0.00 0.00 176.83 175.90 2jmg h LYS 112 N 0.00 0.00 0.09 2.24 3.64 -1.26 -3.36 116.57 117.92 2jmg h LYS 112 Ca -0.00 0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 59.12 2jmg h LYS 112 Cb 0.89 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.70 2jmg h LYS 112 CO 0.05 0.39 -1.21 0.87 -2.27 0.00 0.00 179.45 177.28 2jmg h LYS 113 N 0.00 0.19 -0.28 1.90 1.57 -0.91 -3.25 116.57 115.80 2jmg h LYS 113 Ca -0.17 -0.33 0.08 0.00 -1.87 0.00 0.00 60.65 58.36 2jmg h LYS 113 Cb 1.67 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 34.09 2jmg h LYS 113 CO 0.06 1.14 0.26 1.57 -0.57 0.00 0.00 179.45 181.91 2jmg h LYS 114 N 0.05 0.00 0.00 3.15 5.09 -1.33 0.21 116.57 123.74 2jmg h LYS 114 Ca -0.11 0.00 -0.05 0.00 0.09 0.00 0.00 60.65 60.58 2jmg h LYS 114 Cb 1.92 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 34.25 2jmg h LYS 114 CO 0.18 0.00 -0.25 0.00 -2.09 0.00 0.00 179.45 177.29 2jmg h ALA 115 N 1.74 1.17 -1.50 0.07 0.00 -1.72 -3.37 119.26 115.65 2jmg h ALA 115 Ca 0.13 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2jmg h ALA 115 Cb 0.65 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2jmg h ALA 115 CO -0.00 0.31 0.00 1.04 0.00 0.00 0.00 179.25 180.60 2jmg n GLN 116 N -3.63 0.00 -2.06 0.00 3.00 0.67 -4.95 117.38 110.42 2jmg n GLN 116 Ca -0.01 0.06 -0.16 0.00 -0.01 0.00 0.00 57.00 56.88 2jmg n GLN 116 Cb 0.38 -0.37 -0.03 0.00 0.00 0.00 0.00 30.24 30.22 2jmg n GLN 116 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00 2jmg n GLN 117 N -1.83 -1.76 0.12 -1.09 0.00 -0.74 -4.46 117.38 107.63 2jmg n GLN 117 Ca 0.00 0.83 0.00 0.00 -0.00 0.00 0.00 57.00 57.83 2jmg n GLN 117 Cb 0.00 -5.33 0.00 0.00 0.00 0.00 0.00 30.24 24.91 2jmg n GLN 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2jmg n ALA 118 N -1.03 0.09 0.33 1.69 0.00 -1.26 -4.91 120.51 115.42 2jmg n ALA 118 Ca -0.18 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.48 2jmg n ALA 118 Cb 0.60 0.00 1.14 0.00 0.00 0.00 0.00 19.45 21.19 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 1.12 -1.95 0.00 0.00 -1.97 -3.43 119.26 113.03 2jmg h ALA 119 Ca 0.00 -0.00 -0.46 0.00 0.00 0.00 0.00 54.91 54.45 2jmg h ALA 119 Cb 0.00 0.00 0.11 0.00 0.00 0.00 0.00 17.79 17.90 2jmg h ALA 119 CO 0.00 -0.04 0.26 0.00 0.00 0.00 0.00 179.25 179.47 2jmg s ALA 120 N -4.23 3.01 -2.16 0.00 0.00 -1.26 -4.14 121.76 112.99 2jmg s ALA 120 Ca -0.05 -1.24 0.00 0.00 0.00 0.00 0.00 51.96 50.68 2jmg s ALA 120 Cb 0.13 -2.49 0.00 0.00 0.00 0.00 0.00 23.12 20.76 2jmg s ALA 120 CO 0.42 -1.71 0.00 -0.25 0.00 0.00 0.00 175.76 174.22 2jmg n ASP 121 N -3.17 -5.44 -4.56 0.00 9.92 -1.26 -4.87 116.55 107.17 2jmg n ASP 121 Ca 0.12 0.48 -0.35 0.00 -0.53 0.00 0.00 54.79 54.52 2jmg n ASP 121 Cb 0.60 -4.79 -0.04 0.00 -0.64 0.00 0.00 41.12 36.25 2jmg n ASP 121 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 2jmg s THR 122 N -2.76 3.72 0.00 -3.53 -4.23 -1.26 -4.65 115.64 102.94 2jmg s THR 122 Ca 0.00 -0.69 0.00 0.00 -1.18 0.00 0.00 61.69 59.82 2jmg s THR 122 Cb 0.00 -4.62 0.00 0.00 1.34 0.00 0.00 72.50 69.22 2jmg s THR 122 CO 0.00 -1.50 0.00 0.61 -0.54 0.00 0.00 174.62 173.19 2jmg n GLY 123 N 6.72 -0.34 0.14 3.99 0.00 -1.26 -5.06 105.19 109.38 2jmg n GLY 123 Ca 0.38 0.44 -0.12 0.00 0.00 0.00 0.00 46.02 46.71 2jmg n GLY 123 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2jmg n ASN 124 N 0.00 1.90 -3.58 1.61 3.02 -1.26 -5.09 115.26 111.85 2jmg n ASN 124 Ca 0.00 0.32 -0.09 0.00 -0.03 0.00 0.00 54.58 54.78 2jmg n ASN 124 Cb 0.00 -0.73 -0.05 0.00 -0.61 0.00 0.00 39.78 38.39 2jmg n ASN 124 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2jmg s ASN 125 N -6.16 -0.32 -0.22 6.41 4.22 -1.26 -5.18 114.94 112.43 2jmg s ASN 125 Ca -0.29 0.31 -0.30 0.00 -2.14 0.00 0.00 52.86 50.44 2jmg s ASN 125 Cb 0.06 0.27 0.16 0.00 1.28 0.00 0.00 41.25 43.01 2jmg s ASN 125 CO 0.42 -0.32 1.18 -0.94 -2.04 0.00 0.00 177.10 175.40 2jmg s SER 126 N -1.24 -0.20 -0.04 3.54 1.04 -1.26 -5.13 113.70 110.41 2jmg s SER 126 Ca 0.01 0.19 0.04 0.00 0.48 0.00 0.00 55.95 56.66 2jmg s SER 126 Cb -0.01 0.17 0.00 0.00 0.10 0.00 0.00 66.02 66.28 2jmg s SER 126 CO -0.01 -0.20 -0.14 -1.10 0.98 0.00 0.00 173.24 172.77 2jmg s GLN 127 N -1.23 1.54 -0.06 4.02 -0.21 -1.26 -5.02 119.66 117.44 2jmg s GLN 127 Ca 0.04 -0.50 0.20 0.00 0.02 0.00 0.00 55.36 55.12 2jmg s GLN 127 Cb -0.01 -1.35 0.36 0.00 1.00 0.00 0.00 33.01 33.01 2jmg s GLN 127 CO -0.03 0.18 1.15 1.33 -2.12 0.00 0.00 175.29 175.79 2jmg n VAL 128 N 3.27 0.22 -4.03 1.09 0.24 -1.26 -5.10 118.33 112.75 2jmg n VAL 128 Ca -0.19 -1.14 -0.08 0.00 -2.04 0.00 0.00 64.34 60.89 2jmg n VAL 128 Cb 0.53 0.96 -0.11 0.00 -1.47 0.00 0.00 33.84 33.75 2jmg n VAL 128 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2jmg s SER 129 N -2.07 0.37 -0.28 -1.34 0.15 -1.26 -5.14 113.70 104.13 2jmg s SER 129 Ca 0.25 -0.73 -0.01 0.00 0.70 0.00 0.00 55.95 56.16 2jmg s SER 129 Cb 0.31 0.14 0.09 0.00 -1.71 0.00 0.00 66.02 64.85 2jmg s SER 129 CO -0.11 -0.43 0.06 -1.58 1.20 0.00 0.00 173.24 172.38 2jmg s GLN 130 N -2.59 0.87 -0.07 5.44 0.74 -1.26 -5.12 119.66 117.67 2jmg s GLN 130 Ca -0.05 -0.99 0.03 0.00 0.05 0.00 0.00 55.36 54.39 2jmg s GLN 130 Cb -0.02 -2.16 -0.02 0.00 1.10 0.00 0.00 33.01 31.91 2jmg s GLN 130 CO -0.05 -0.87 -0.14 0.54 -0.55 0.00 0.00 175.29 174.22 2jmg s ASN 131 N 1.59 3.98 0.00 6.67 2.20 -1.26 -5.36 114.94 122.76 2jmg s ASN 131 Ca 0.06 -0.25 0.24 0.00 -0.94 0.00 0.00 52.86 51.96 2jmg s ASN 131 Cb -0.18 -1.08 1.41 0.00 -2.00 0.00 0.00 41.25 39.41 2jmg s ASN 131 CO -0.18 0.29 1.77 0.00 -2.94 0.00 0.00 177.10 176.04