#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 3.42 -2.61 4.61 0.00 -1.26 -4.98 120.51 119.69 2jmg n ALA 3 Ca 0.00 -0.59 -0.17 0.00 0.00 0.00 0.00 53.44 52.68 2jmg n ALA 3 Cb 0.00 -0.88 -0.06 0.00 0.00 0.00 0.00 19.45 18.51 2jmg n ALA 3 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2jmg s ARG 4 N -2.47 1.85 0.64 0.00 3.52 -1.26 -5.17 118.95 116.06 2jmg s ARG 4 Ca 0.20 -1.89 -0.04 0.00 -0.13 0.00 0.00 55.73 53.88 2jmg s ARG 4 Cb 0.18 0.39 0.05 0.00 -1.56 0.00 0.00 34.95 34.01 2jmg s ARG 4 CO 0.55 -0.73 0.92 0.00 -0.81 0.00 0.00 175.30 175.23 2jmg s ALA 5 N -3.21 3.43 0.65 6.12 0.00 -1.26 -5.04 121.76 122.45 2jmg s ALA 5 Ca 0.35 -1.04 -0.18 0.00 0.00 0.00 0.00 51.96 51.09 2jmg s ALA 5 Cb 0.01 -2.41 -0.02 0.00 0.00 0.00 0.00 23.12 20.70 2jmg s ALA 5 CO 0.24 -1.06 1.20 0.43 0.00 0.00 0.00 175.76 176.57 2jmg n SER 6 N -2.68 1.66 0.15 0.00 7.64 -1.26 -4.91 113.62 114.22 2jmg n SER 6 Ca 0.08 0.81 0.00 0.00 1.01 0.00 0.00 58.87 60.77 2jmg n SER 6 Cb 0.60 -1.51 0.22 0.00 -1.01 0.00 0.00 64.21 62.51 2jmg n SER 6 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2jmg h ARG 7 N 0.43 0.00 -6.58 1.43 -0.00 -1.99 -3.43 114.38 104.23 2jmg h ARG 7 Ca -0.50 0.00 -0.52 0.00 -0.50 0.00 0.00 59.98 58.46 2jmg h ARG 7 Cb 1.35 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 31.30 2jmg h ARG 7 CO 0.52 0.55 0.39 -0.51 0.00 0.00 0.00 179.97 180.92 2jmg s LEU 8 N -7.59 4.49 0.00 3.04 1.43 -1.26 -5.06 118.68 113.74 2jmg s LEU 8 Ca -0.01 1.86 0.04 0.00 -1.03 0.00 0.00 54.13 54.99 2jmg s LEU 8 Cb 0.13 -3.59 0.04 0.00 0.03 0.00 0.00 46.19 42.79 2jmg s LEU 8 CO 0.75 -0.11 0.33 -0.24 0.23 0.00 0.00 176.35 177.31 2jmg n SER 9 N 2.74 1.95 -0.28 2.29 2.88 -1.26 -4.88 113.62 117.06 2jmg n SER 9 Ca 0.03 -2.17 0.10 0.00 -1.33 0.00 0.00 58.87 55.50 2jmg n SER 9 Cb 0.48 -0.09 0.26 0.00 -0.75 0.00 0.00 64.21 64.11 2jmg n SER 9 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 2jmg h GLY 10 N 0.34 1.28 0.75 0.46 0.00 -1.98 0.29 103.07 104.22 2jmg h GLY 10 Ca -0.21 -0.06 -0.02 0.00 0.00 0.00 0.00 47.33 47.03 2jmg h GLY 10 CO 0.33 -0.29 -0.40 -1.33 0.00 0.00 0.00 176.54 174.85 2jmg h GLY 11 N 0.27 -1.04 2.00 4.60 0.00 -2.02 -1.93 103.07 104.96 2jmg h GLY 11 Ca 0.51 0.45 0.00 0.00 0.00 0.00 0.00 47.33 48.29 2jmg h GLY 11 CO -0.58 -0.36 0.00 -2.09 0.00 0.00 0.00 176.54 173.51 2jmg h GLU 12 N -0.94 0.00 -0.35 4.80 4.81 -1.74 -2.61 114.58 118.55 2jmg h GLU 12 Ca -0.07 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.01 2jmg h GLU 12 Cb 0.78 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.16 2jmg h GLU 12 CO 0.03 0.00 -0.39 1.25 -0.73 0.00 0.00 179.01 179.18 2jmg h LEU 13 N 0.00 0.95 -0.74 1.64 5.85 0.27 -2.31 115.31 120.98 2jmg h LEU 13 Ca 0.00 -0.48 0.16 0.00 0.84 0.00 0.00 57.88 58.40 2jmg h LEU 13 Cb 0.29 -0.27 -0.11 0.00 0.37 0.00 0.00 40.66 40.95 2jmg h LEU 13 CO 0.00 1.23 0.21 -0.78 -0.34 0.00 0.00 178.44 178.76 2jmg h ASP 14 N 0.69 0.08 -0.08 1.25 1.82 -0.97 0.93 116.42 120.13 2jmg h ASP 14 Ca 0.05 0.14 -0.11 0.00 -0.39 0.00 0.00 57.03 56.72 2jmg h ASP 14 Cb 0.98 0.17 0.00 0.00 0.68 0.00 0.00 39.33 41.17 2jmg h ASP 14 CO 0.09 -0.01 -0.36 0.11 -1.61 0.00 0.00 179.24 177.46 2jmg h LYS 15 N 0.31 0.39 -0.92 0.28 1.57 -1.67 -1.34 116.57 115.19 2jmg h LYS 15 Ca 0.42 -0.31 0.15 0.00 -1.87 0.00 0.00 60.65 59.04 2jmg h LYS 15 Cb 0.70 0.06 -0.08 0.00 0.08 0.00 0.00 32.23 32.99 2jmg h LYS 15 CO -0.49 0.95 0.59 2.35 -0.57 0.00 0.00 179.45 182.28 2jmg h TRP 16 N -0.07 0.85 0.00 -1.35 2.91 -0.71 0.25 115.95 117.82 2jmg h TRP 16 Ca -0.02 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.02 2jmg h TRP 16 Cb 1.01 -0.27 0.00 0.00 -0.51 0.00 0.00 29.16 29.39 2jmg h TRP 16 CO 0.12 0.29 -0.52 0.39 -1.03 0.00 0.00 178.44 177.69 2jmg n GLU 17 N -4.59 0.03 0.19 2.65 1.02 0.23 -3.79 120.64 116.39 2jmg n GLU 17 Ca 0.18 0.01 0.07 0.00 -0.02 0.00 0.00 57.16 57.41 2jmg n GLU 17 Cb 0.50 -1.52 0.23 0.00 -0.02 0.00 0.00 31.44 30.63 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 0.00 0.00 -6.51 3.49 3.64 0.69 -3.41 116.57 114.46 2jmg h LYS 18 Ca 0.00 0.00 -0.52 0.00 -1.27 0.00 0.00 60.65 58.86 2jmg h LYS 18 Cb 0.53 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.32 2jmg h LYS 18 CO 0.00 0.30 0.26 0.42 -2.27 0.00 0.00 179.45 178.16 2jmg s ILE 19 N -3.28 4.46 0.18 2.00 1.01 -0.98 -4.99 121.20 119.59 2jmg s ILE 19 Ca 0.03 1.86 -0.05 0.00 0.00 0.00 0.00 60.65 62.50 2jmg s ILE 19 Cb 0.08 -4.22 -0.06 0.00 0.01 0.00 0.00 42.46 38.27 2jmg s ILE 19 CO 0.69 0.41 0.42 -0.13 0.00 0.00 0.00 174.94 176.33 2jmg s ARG 20 N -0.50 3.63 0.10 2.79 0.52 -1.26 -2.80 118.95 121.44 2jmg s ARG 20 Ca 0.41 -0.07 -0.12 0.00 -0.52 0.00 0.00 55.73 55.43 2jmg s ARG 20 Cb -0.23 -2.80 -0.15 0.00 0.52 0.00 0.00 34.95 32.29 2jmg s ARG 20 CO 0.27 0.41 1.29 -0.07 0.02 0.00 0.00 175.30 177.22 2jmg h LEU 21 N 2.53 0.88 -9.71 2.53 3.38 -0.70 -0.74 115.31 113.48 2jmg h LEU 21 Ca -0.47 -0.62 -0.54 0.00 0.09 0.00 0.00 57.88 56.35 2jmg h LEU 21 Cb 1.17 -0.26 -0.08 0.00 0.09 0.00 0.00 40.66 41.58 2jmg h LEU 21 CO 0.71 1.41 -0.58 -0.13 0.09 0.00 0.00 178.44 179.94 2jmg s ARG 22 N -3.60 2.46 0.15 1.13 3.00 -1.26 -3.89 118.95 116.94 2jmg s ARG 22 Ca -0.10 -1.37 -0.10 0.00 0.00 0.00 0.00 55.73 54.16 2jmg s ARG 22 Cb 0.08 -2.26 -0.03 0.00 0.00 0.00 0.00 34.95 32.74 2jmg s ARG 22 CO 0.90 0.29 1.48 -1.00 0.00 0.00 0.00 175.30 176.98 2jmg h PRO 23 N 1.69 0.92 -0.12 3.54 0.13 -1.92 -3.30 132.00 132.93 2jmg h PRO 23 Ca -0.45 -0.49 -0.10 0.00 -0.87 0.00 0.00 66.00 64.09 2jmg h PRO 23 Cb 1.25 0.02 -0.10 0.00 0.13 0.00 0.00 31.00 32.30 2jmg h PRO 23 CO 0.61 1.14 -0.59 0.41 -0.23 0.00 0.00 178.00 179.34 2jmg n GLY 24 N 0.13 5.07 3.87 1.56 0.00 -1.26 -4.94 105.19 109.62 2jmg n GLY 24 Ca -0.02 -1.50 -0.29 0.00 0.00 0.00 0.00 46.02 44.21 2jmg n GLY 24 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jmg s GLY 25 N -3.23 2.64 0.00 -0.02 0.00 -1.24 -5.05 107.32 100.42 2jmg s GLY 25 Ca 0.40 -0.80 0.11 0.00 0.00 0.00 0.00 44.72 44.43 2jmg s GLY 25 CO -0.06 -2.05 0.80 0.58 0.00 0.00 0.00 173.10 172.38 2jmg n LYS 26 N -1.63 0.97 -2.59 2.90 2.85 -1.26 -4.83 118.16 114.58 2jmg n LYS 26 Ca -0.09 -1.03 -0.36 0.00 -1.05 0.00 0.00 58.31 55.78 2jmg n LYS 26 Cb 0.65 -1.19 -0.04 0.00 -0.65 0.00 0.00 35.03 33.80 2jmg n LYS 26 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 177.40 177.50 2jmg s LYS 27 N -1.08 4.22 0.17 -1.58 3.01 -1.26 -4.96 119.74 118.27 2jmg s LYS 27 Ca 0.12 1.47 0.03 0.00 -1.01 0.00 0.00 55.97 56.59 2jmg s LYS 27 Cb 0.09 -2.56 -0.01 0.00 -1.01 0.00 0.00 37.83 34.34 2jmg s LYS 27 CO 0.18 -0.08 0.12 1.04 0.51 0.00 0.00 175.35 177.12 2jmg n GLN 28 N -0.01 0.32 -3.47 1.68 3.00 -1.26 -0.00 117.38 117.64 2jmg n GLN 28 Ca 0.05 -1.62 -0.31 0.00 -0.01 0.00 0.00 57.00 55.11 2jmg n GLN 28 Cb 0.50 1.23 -0.04 0.00 0.00 0.00 0.00 30.24 31.92 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 -2.57 3.45 0.25 1.08 2.02 -1.12 -4.67 117.35 115.80 2jmg s TYR 29 Ca 0.17 0.71 -0.01 0.00 -0.37 0.00 0.00 57.07 57.57 2jmg s TYR 29 Cb 0.01 -2.14 -0.03 0.00 -0.40 0.00 0.00 41.96 39.40 2jmg s TYR 29 CO 0.12 0.28 0.25 0.15 -1.57 0.00 0.00 175.55 174.78 2jmg s LYS 30 N -3.01 1.44 0.54 -0.62 1.02 -1.26 -4.17 119.74 113.68 2jmg s LYS 30 Ca 0.44 -1.67 0.31 0.00 0.02 0.00 0.00 55.97 55.07 2jmg s LYS 30 Cb -0.11 0.33 1.47 0.00 -0.52 0.00 0.00 37.83 39.00 2jmg s LYS 30 CO 0.25 -0.52 1.91 1.25 -0.92 0.00 0.00 175.35 177.31 2jmg h LEU 31 N 2.41 0.00 -0.77 3.17 7.12 -1.99 -0.69 115.31 124.56 2jmg h LEU 31 Ca -0.31 0.00 0.17 0.00 0.13 0.00 0.00 57.88 57.87 2jmg h LEU 31 Cb 1.25 0.00 -0.11 0.00 -0.53 0.00 0.00 40.66 41.26 2jmg h LEU 31 CO 0.45 0.00 0.22 0.50 -0.13 0.00 0.00 178.44 179.48 2jmg h LYS 32 N 0.00 0.29 -0.11 1.25 3.64 -2.00 -0.37 116.57 119.27 2jmg h LYS 32 Ca 0.40 -0.02 -0.15 0.00 -1.27 0.00 0.00 60.65 59.60 2jmg h LYS 32 Cb 1.60 -0.07 0.01 0.00 -0.41 0.00 0.00 32.23 33.36 2jmg h LYS 32 CO -0.00 0.19 -0.54 0.45 -2.27 0.00 0.00 179.45 177.28 2jmg h HIS 33 N 0.30 0.75 -0.53 1.91 3.86 -1.54 -1.88 115.15 118.02 2jmg h HIS 33 Ca 0.45 -0.33 0.10 0.00 -1.16 0.00 0.00 60.37 59.42 2jmg h HIS 33 Cb 0.78 -0.12 -0.03 0.00 1.06 0.00 0.00 27.41 29.10 2jmg h HIS 33 CO -0.24 1.12 0.36 0.82 0.86 0.00 0.00 177.93 180.85 2jmg h ILE 34 N 0.18 0.88 0.01 2.45 2.04 -1.21 0.28 117.51 122.13 2jmg h ILE 34 Ca -0.04 -0.11 -0.00 0.00 1.00 0.00 0.00 64.86 65.72 2jmg h ILE 34 Cb 1.18 0.55 0.00 0.00 -0.74 0.00 0.00 36.82 37.80 2jmg h ILE 34 CO 0.11 0.06 -0.00 0.58 0.00 0.00 0.00 178.15 178.89 2jmg h VAL 35 N 0.31 1.40 -0.95 1.67 2.07 -1.09 -2.74 116.25 116.92 2jmg h VAL 35 Ca 0.25 -1.98 0.04 0.00 0.82 0.00 0.00 66.70 65.83 2jmg h VAL 35 Cb 0.56 2.61 -0.06 0.00 -1.52 0.00 0.00 31.29 32.88 2jmg h VAL 35 CO -0.06 0.46 0.62 -0.25 0.02 0.00 0.00 177.57 178.37 2jmg h TRP 36 N -0.97 1.16 0.35 1.57 7.01 -1.01 -1.99 115.95 122.07 2jmg h TRP 36 Ca -0.00 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 61.01 2jmg h TRP 36 Cb 0.77 -0.39 0.00 0.00 -2.10 0.00 0.00 29.16 27.44 2jmg h TRP 36 CO 0.21 0.66 -0.17 0.00 -2.79 0.00 0.00 178.44 176.36 2jmg h ALA 37 N 1.45 -0.47 -0.59 2.65 0.00 -0.58 0.31 119.26 122.03 2jmg h ALA 37 Ca 0.38 -0.18 0.17 0.00 0.00 0.00 0.00 54.91 55.29 2jmg h ALA 37 Cb 0.02 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2jmg h ALA 37 CO -0.12 -0.62 0.47 1.03 0.00 0.00 0.00 179.25 180.00 2jmg h SER 38 N -0.74 0.00 0.06 0.00 0.87 -1.27 -0.83 113.55 111.63 2jmg h SER 38 Ca -0.05 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.32 2jmg h SER 38 Cb 0.50 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.46 2jmg h SER 38 CO 0.08 0.00 -1.00 0.03 -0.53 0.00 0.00 176.83 175.40 2jmg h ARG 39 N 0.00 0.14 -0.35 2.24 3.08 -1.14 -3.32 114.38 115.03 2jmg h ARG 39 Ca 0.28 -0.23 0.07 0.00 0.07 0.00 0.00 59.98 60.17 2jmg h ARG 39 Cb 1.21 0.09 -0.07 0.00 0.08 0.00 0.00 29.97 31.28 2jmg h ARG 39 CO -0.00 1.11 -0.08 1.49 -1.07 0.00 0.00 179.97 181.42 2jmg h GLU 40 N -0.63 0.01 -1.00 0.04 4.57 0.61 -1.03 114.58 117.14 2jmg h GLU 40 Ca -0.23 -0.00 0.18 0.00 -1.18 0.00 0.00 59.36 58.13 2jmg h GLU 40 Cb 1.47 -0.00 -0.10 0.00 -0.16 0.00 0.00 28.75 29.95 2jmg h GLU 40 CO -0.01 0.00 0.61 -0.07 -1.18 0.00 0.00 179.01 178.36 2jmg h LEU 41 N 0.01 0.79 -2.15 1.64 3.38 -1.36 0.38 115.31 117.99 2jmg h LEU 41 Ca 0.17 0.09 0.05 0.00 0.09 0.00 0.00 57.88 58.28 2jmg h LEU 41 Cb 0.25 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2jmg h LEU 41 CO -0.35 0.30 0.17 -0.08 0.09 0.00 0.00 178.44 178.56 2jmg h GLU 42 N 0.78 0.00 0.00 1.13 4.81 -0.86 0.96 114.58 121.40 2jmg h GLU 42 Ca 0.57 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.69 2jmg h GLU 42 Cb 0.85 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.21 2jmg h GLU 42 CO -0.37 0.00 -1.12 -0.09 -0.73 0.00 0.00 179.01 176.70 2jmg h ARG 43 N 0.00 0.00 -1.11 1.92 2.43 -0.20 -3.33 114.38 114.09 2jmg h ARG 43 Ca 0.09 0.00 -0.34 0.00 -0.81 0.00 0.00 59.98 58.92 2jmg h ARG 43 Cb 0.42 0.00 -0.18 0.00 -0.42 0.00 0.00 29.97 29.79 2jmg h ARG 43 CO -0.00 0.24 0.43 1.19 -1.51 0.00 0.00 179.97 180.32 2jmg n PHE 44 N -2.90 1.86 -1.69 2.20 3.72 0.06 -4.82 117.46 115.88 2jmg n PHE 44 Ca -0.05 -1.56 -0.12 0.00 -0.05 0.00 0.00 57.45 55.67 2jmg n PHE 44 Cb 0.74 -0.78 -0.04 0.00 -0.94 0.00 0.00 39.48 38.47 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 -0.33 -0.37 -3.97 4.37 0.00 -1.17 -4.91 120.51 114.13 2jmg n ALA 45 Ca 0.36 0.16 -0.33 0.00 0.00 0.00 0.00 53.44 53.63 2jmg n ALA 45 Cb 1.03 -1.35 -0.16 0.00 0.00 0.00 0.00 19.45 18.98 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 -2.20 2.30 0.34 0.00 1.01 0.11 -5.03 120.40 116.92 2jmg s VAL 46 Ca 0.00 -0.86 -0.29 0.00 0.00 0.00 0.00 61.98 60.83 2jmg s VAL 46 Cb 0.00 -1.98 -0.11 0.00 0.00 0.00 0.00 36.38 34.29 2jmg s VAL 46 CO 0.00 0.52 1.42 0.20 0.00 0.00 0.00 175.10 177.24 2jmg s ASN 47 N 1.28 6.55 0.00 3.32 0.01 -1.26 -2.48 114.94 122.36 2jmg s ASN 47 Ca 0.04 2.86 0.15 0.00 -0.71 0.00 0.00 52.86 55.20 2jmg s ASN 47 Cb -0.13 -2.65 0.75 0.00 0.41 0.00 0.00 41.25 39.62 2jmg s ASN 47 CO -0.10 -0.72 1.41 -0.81 -1.51 0.00 0.00 177.10 175.36 2jmg n PRO 48 N 0.94 0.21 0.00 -0.60 -0.04 -1.26 -2.73 135.00 131.51 2jmg n PRO 48 Ca 0.02 0.15 0.10 0.00 -0.04 0.00 0.00 63.50 63.73 2jmg n PRO 48 Cb 0.40 -1.50 0.61 0.00 -0.04 0.00 0.00 33.50 32.97 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 -0.90 0.72 0.55 0.00 -1.26 -3.07 105.19 101.20 2jmg n GLY 49 Ca 0.07 -0.13 0.06 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.86 2.07 -0.30 0.99 4.77 -1.10 -3.61 117.00 118.96 2jmg n LEU 50 Ca 0.15 -1.04 0.10 0.00 -0.03 0.00 0.00 56.01 55.20 2jmg n LEU 50 Cb 0.07 -0.26 -0.05 0.00 -2.33 0.00 0.00 43.42 40.85 2jmg n LEU 50 CO 0.11 0.52 0.17 0.18 -1.33 0.00 0.00 177.39 177.04 2jmg n LEU 51 N 0.63 1.59 -2.54 2.23 4.77 -1.17 -2.66 117.00 119.85 2jmg n LEU 51 Ca 0.13 -0.66 -0.34 0.00 -0.03 0.00 0.00 56.01 55.11 2jmg n LEU 51 Cb 0.33 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.46 2jmg n LEU 51 CO 0.09 0.32 1.05 -1.84 -1.33 0.00 0.00 177.39 175.68 2jmg n GLU 52 N -0.57 3.00 -3.30 3.23 0.00 -1.24 -4.89 120.64 116.86 2jmg n GLU 52 Ca 0.07 -3.75 0.03 0.00 0.00 0.00 0.00 57.16 53.51 2jmg n GLU 52 Cb 0.40 -2.27 -0.04 0.00 0.00 0.00 0.00 31.44 29.53 2jmg n GLU 52 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.13 177.05 2jmg s THR 53 N -5.03 -0.30 0.40 3.84 -1.32 -1.26 -5.01 115.64 106.96 2jmg s THR 53 Ca 0.55 0.00 0.15 0.00 -1.21 0.00 0.00 61.69 61.18 2jmg s THR 53 Cb 0.45 -1.00 0.36 0.00 -1.51 0.00 0.00 72.50 70.80 2jmg s THR 53 CO -0.19 0.00 1.85 0.77 -2.21 0.00 0.00 174.62 174.84 2jmg h SER 54 N 7.30 0.47 0.55 8.08 4.64 -1.90 0.35 113.55 133.03 2jmg h SER 54 Ca -0.14 0.05 -0.11 0.00 -0.47 0.00 0.00 61.79 61.11 2jmg h SER 54 Cb 1.12 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 63.15 2jmg h SER 54 CO 0.07 0.20 -0.52 -0.33 -0.87 0.00 0.00 176.83 175.38 2jmg h GLU 55 N 0.48 0.00 0.04 4.77 5.08 -1.95 -3.22 114.58 119.77 2jmg h GLU 55 Ca 0.47 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.83 2jmg h GLU 55 Cb 1.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 2jmg h GLU 55 CO -0.20 0.52 -0.02 0.78 -1.00 0.00 0.00 179.01 179.09 2jmg h GLY 56 N 1.61 -0.06 0.66 -3.84 0.00 -0.57 -2.48 103.07 98.39 2jmg h GLY 56 Ca -0.01 0.02 0.11 0.00 0.00 0.00 0.00 47.33 47.46 2jmg h GLY 56 CO 0.07 -0.02 0.56 0.00 0.00 0.00 0.00 176.54 177.14 2jmg h ARG 58 N 0.00 0.34 0.00 0.00 2.43 -1.56 -3.32 114.38 112.27 2jmg h ARG 58 Ca 0.19 -0.58 0.00 0.00 -0.81 0.00 0.00 59.98 58.78 2jmg h ARG 58 Cb 1.30 0.22 0.00 0.00 -0.42 0.00 0.00 29.97 31.07 2jmg h ARG 58 CO -0.00 1.26 0.00 0.94 -1.51 0.00 0.00 179.97 180.66 2jmg n GLN 59 N -3.54 0.04 0.01 0.20 7.27 0.65 -2.45 117.38 119.56 2jmg n GLN 59 Ca -0.27 0.19 -0.06 0.00 0.07 0.00 0.00 57.00 56.94 2jmg n GLN 59 Cb 1.07 -1.50 -0.12 0.00 2.41 0.00 0.00 30.24 32.10 2jmg n GLN 59 CO 0.00 0.00 0.00 0.82 0.07 0.00 0.00 177.06 177.95 2jmg h ILE 60 N 0.00 0.88 0.03 1.69 2.04 -1.22 -3.34 117.51 117.60 2jmg h ILE 60 Ca 0.00 -2.60 -0.23 0.00 1.00 0.00 0.00 64.86 63.03 2jmg h ILE 60 Cb 0.28 2.38 -0.02 0.00 -0.74 0.00 0.00 36.82 38.72 2jmg h ILE 60 CO 0.00 0.50 -1.08 -0.07 0.00 0.00 0.00 178.15 177.50 2jmg h LEU 61 N 0.00 0.11 -1.40 1.44 3.38 -1.57 -3.26 115.31 114.01 2jmg h LEU 61 Ca -0.21 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.58 2jmg h LEU 61 Cb 1.85 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 42.55 2jmg h LEU 61 CO 0.08 1.10 -0.23 1.23 0.09 0.00 0.00 178.44 180.71 2jmg h GLY 62 N 2.63 0.12 0.93 0.83 0.00 -1.66 0.30 103.07 106.22 2jmg h GLY 62 Ca -0.05 -0.08 -0.14 0.00 0.00 0.00 0.00 47.33 47.06 2jmg h GLY 62 CO 0.15 0.07 -0.44 1.46 0.00 0.00 0.00 176.54 177.78 2jmg h GLN 63 N 0.10 0.59 0.00 4.80 1.08 -1.67 -3.17 115.11 116.85 2jmg h GLN 63 Ca 0.02 -0.42 0.00 0.00 -1.45 0.00 0.00 58.65 56.80 2jmg h GLN 63 Cb 0.46 0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.96 2jmg h GLN 63 CO 0.03 1.04 -0.14 -0.07 -0.95 0.00 0.00 178.83 178.74 2jmg h LEU 64 N 0.25 0.00 -0.21 1.46 3.38 -1.56 -3.35 115.31 115.28 2jmg h LEU 64 Ca -0.01 -0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.00 2jmg h LEU 64 Cb 1.06 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.74 2jmg h LEU 64 CO 0.10 0.01 -0.39 -0.61 0.09 0.00 0.00 178.44 177.63 2jmg h GLN 65 N 0.00 -0.40 0.00 1.13 -0.00 -0.36 0.42 115.11 115.90 2jmg h GLN 65 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.68 2jmg h GLN 65 Cb 0.89 0.09 0.00 0.00 0.00 0.00 0.00 27.48 28.46 2jmg h GLN 65 CO 0.00 -0.27 0.00 -0.35 0.00 0.00 0.00 178.83 178.21 2jmg n PRO 66 N -5.42 0.45 -0.00 -2.39 -0.04 -1.26 -1.94 135.00 124.40 2jmg n PRO 66 Ca -0.03 0.02 0.04 0.00 -0.04 0.00 0.00 63.50 63.50 2jmg n PRO 66 Cb 0.35 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.25 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 -1.04 1.29 -0.16 3.54 7.64 0.95 -4.55 113.62 121.29 2jmg n SER 67 Ca 0.11 -0.46 0.01 0.00 1.01 0.00 0.00 58.87 59.54 2jmg n SER 67 Cb 0.06 1.15 0.28 0.00 -1.01 0.00 0.00 64.21 64.69 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 0.77 -0.93 -3.43 3.38 0.31 0.29 115.31 115.71 2jmg h LEU 68 Ca 0.00 -0.03 0.18 0.00 0.09 0.00 0.00 57.88 58.12 2jmg h LEU 68 Cb 0.29 -0.19 -0.10 0.00 0.09 0.00 0.00 40.66 40.74 2jmg h LEU 68 CO 0.00 0.57 0.51 -0.61 0.09 0.00 0.00 178.44 179.00 2jmg h GLN 69 N 0.90 0.63 -1.06 1.13 4.15 -1.80 -3.00 115.11 116.06 2jmg h GLN 69 Ca 0.24 -0.04 -0.41 0.00 0.77 0.00 0.00 58.65 59.21 2jmg h GLN 69 Cb -0.07 -0.14 -0.41 0.00 0.21 0.00 0.00 27.48 27.07 2jmg h GLN 69 CO -0.05 0.42 -1.08 0.25 -1.93 0.00 0.00 178.83 176.44 2jmg n THR 70 N -4.85 1.37 -4.11 2.39 -2.24 -0.86 -5.09 114.28 100.89 2jmg n THR 70 Ca 0.21 -3.49 -0.34 0.00 -2.27 0.00 0.00 64.05 58.15 2jmg n THR 70 Cb 0.53 0.24 -0.07 0.00 -2.10 0.00 0.00 70.33 68.93 2jmg n THR 70 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2jmg s GLY 71 N -3.29 2.02 1.06 3.38 0.00 0.97 -5.03 107.32 106.43 2jmg s GLY 71 Ca 0.32 -0.82 -0.12 0.00 0.00 0.00 0.00 44.72 44.10 2jmg s GLY 71 CO -0.02 -0.66 1.07 -1.35 0.00 0.00 0.00 173.10 172.15 2jmg s SER 72 N -1.49 2.02 0.63 1.64 1.04 -1.26 -4.79 113.70 111.49 2jmg s SER 72 Ca 0.20 1.35 0.41 0.00 0.48 0.00 0.00 55.95 58.39 2jmg s SER 72 Cb -0.12 -2.05 2.23 0.00 0.10 0.00 0.00 66.02 66.17 2jmg s SER 72 CO 0.11 -3.53 2.25 -0.08 0.98 0.00 0.00 173.24 172.97 2jmg h GLU 73 N -2.16 0.00 0.11 4.02 4.81 -1.99 -2.28 114.58 117.08 2jmg h GLU 73 Ca -0.57 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.66 2jmg h GLU 73 Cb 1.33 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.71 2jmg h GLU 73 CO 0.54 0.00 -0.05 1.49 -0.73 0.00 0.00 179.01 180.26 2jmg h GLU 74 N 0.00 -0.14 -0.79 1.92 4.81 -2.00 -2.74 114.58 115.63 2jmg h GLU 74 Ca 0.00 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 2jmg h GLU 74 Cb 0.07 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.44 2jmg h GLU 74 CO 0.00 0.27 0.41 1.25 -0.73 0.00 0.00 179.01 180.21 2jmg h LEU 75 N -0.59 1.00 -1.07 1.64 6.46 -1.76 -2.36 115.31 118.62 2jmg h LEU 75 Ca -0.01 -0.10 0.04 0.00 -0.12 0.00 0.00 57.88 57.69 2jmg h LEU 75 Cb 0.47 -0.25 -0.06 0.00 -0.73 0.00 0.00 40.66 40.09 2jmg h LEU 75 CO 0.02 0.82 0.63 -0.09 -0.62 0.00 0.00 178.44 179.20 2jmg h ARG 76 N 1.11 1.16 -0.05 1.25 2.43 -1.51 -1.08 114.38 117.69 2jmg h ARG 76 Ca 0.28 -0.07 -0.06 0.00 -0.81 0.00 0.00 59.98 59.32 2jmg h ARG 76 Cb 0.06 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 29.34 2jmg h ARG 76 CO -0.04 0.77 -0.25 0.77 -1.51 0.00 0.00 179.97 179.71 2jmg h SER 77 N 1.19 0.07 0.21 -3.80 0.02 -1.11 -2.63 113.55 107.50 2jmg h SER 77 Ca 0.38 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.30 2jmg h SER 77 Cb 0.02 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.55 2jmg h SER 77 CO -0.12 0.32 -0.10 -0.07 -1.14 0.00 0.00 176.83 175.72 2jmg h LEU 78 N 0.07 -0.24 -0.81 5.07 -0.00 -1.04 -2.75 115.31 115.61 2jmg h LEU 78 Ca 0.01 -0.29 0.14 0.00 -0.00 0.00 0.00 57.88 57.75 2jmg h LEU 78 Cb 0.48 0.06 -0.09 0.00 -0.00 0.00 0.00 40.66 41.11 2jmg h LEU 78 CO 0.03 0.22 0.39 0.22 -0.00 0.00 0.00 178.44 179.31 2jmg h TYR 79 N -0.78 0.69 0.00 1.13 5.03 -1.34 0.50 116.97 122.20 2jmg h TYR 79 Ca -0.03 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 61.31 2jmg h TYR 79 Cb 0.51 -0.18 -0.00 0.00 1.55 0.00 0.00 36.73 38.61 2jmg h TYR 79 CO 0.06 0.15 -0.03 -0.91 -1.32 0.00 0.00 178.16 176.11 2jmg h ASN 80 N 0.57 0.00 0.00 -2.11 2.35 -1.50 -2.23 115.58 112.66 2jmg h ASN 80 Ca 0.44 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.19 2jmg h ASN 80 Cb 0.63 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.00 2jmg h ASN 80 CO -0.37 0.03 0.00 0.41 -1.65 0.00 0.00 177.43 175.85 2jmg n THR 81 N -3.17 0.00 -0.33 2.81 -1.04 0.15 -4.06 114.28 108.63 2jmg n THR 81 Ca -0.01 0.42 0.27 0.00 -2.04 0.00 0.00 64.05 62.69 2jmg n THR 81 Cb 0.23 -1.34 0.51 0.00 -1.82 0.00 0.00 70.33 67.91 2jmg n THR 81 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 2jmg h ILE 82 N 0.00 0.15 -0.62 12.58 2.04 -0.85 0.51 117.51 131.32 2jmg h ILE 82 Ca 0.00 -0.06 0.11 0.00 1.00 0.00 0.00 64.86 65.92 2jmg h ILE 82 Cb 0.00 -0.02 -0.08 0.00 -0.74 0.00 0.00 36.82 35.97 2jmg h ILE 82 CO 0.00 0.03 0.17 0.00 0.00 0.00 0.00 178.15 178.35 2jmg h ALA 83 N 1.92 0.77 0.51 1.87 0.00 -1.59 -1.72 119.26 121.02 2jmg h ALA 83 Ca 0.77 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.78 2jmg h ALA 83 Cb 1.89 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.83 2jmg h ALA 83 CO -0.69 -0.27 -0.24 0.28 0.00 0.00 0.00 179.25 178.32 2jmg h VAL 84 N 0.32 0.45 -0.83 0.00 2.07 -0.12 -3.13 116.25 114.99 2jmg h VAL 84 Ca 0.33 -0.29 0.18 0.00 0.82 0.00 0.00 66.70 67.73 2jmg h VAL 84 Cb 0.47 0.56 -0.16 0.00 -1.52 0.00 0.00 31.29 30.65 2jmg h VAL 84 CO -0.38 0.04 -0.15 0.25 0.02 0.00 0.00 177.57 177.35 2jmg h LEU 85 N -0.87 -0.68 -0.88 2.57 5.85 -1.16 0.41 115.31 120.55 2jmg h LEU 85 Ca -0.07 0.24 0.23 0.00 0.84 0.00 0.00 57.88 59.12 2jmg h LEU 85 Cb 0.59 0.49 -0.13 0.00 0.37 0.00 0.00 40.66 41.98 2jmg h LEU 85 CO 0.11 -0.27 0.33 0.22 -0.34 0.00 0.00 178.44 178.50 2jmg h TYR 86 N 0.02 0.53 -0.75 1.25 5.03 -1.27 0.27 116.97 122.05 2jmg h TYR 86 Ca 0.42 0.04 -0.02 0.00 2.58 0.00 0.00 58.73 61.75 2jmg h TYR 86 Cb 0.68 -0.09 -0.04 0.00 1.55 0.00 0.00 36.73 38.84 2jmg h TYR 86 CO -0.60 -0.12 0.39 0.00 -1.32 0.00 0.00 178.16 176.52 2jmg h VAL 88 N 1.05 0.00 -0.31 0.00 2.07 -0.18 0.60 116.25 119.47 2jmg h VAL 88 Ca 0.26 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.87 2jmg h VAL 88 Cb 0.07 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.82 2jmg h VAL 88 CO -0.04 0.00 0.36 0.45 0.02 0.00 0.00 177.57 178.36 2jmg h HIS 89 N -0.30 0.00 -0.21 1.57 3.86 -1.48 0.50 115.15 119.09 2jmg h HIS 89 Ca -0.02 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 2jmg h HIS 89 Cb 0.26 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.73 2jmg h HIS 89 CO -0.13 0.00 0.00 1.04 0.86 0.00 0.00 177.93 179.70 2jmg n GLN 90 N -3.68 1.51 -0.52 2.45 6.02 -0.81 -4.86 117.38 117.50 2jmg n GLN 90 Ca 0.05 -0.79 0.00 0.00 -0.01 0.00 0.00 57.00 56.25 2jmg n GLN 90 Cb 0.51 -1.21 0.00 0.00 1.02 0.00 0.00 30.24 30.57 2jmg n GLN 90 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 2jmg n ARG 91 N 0.12 0.00 -2.46 -1.09 0.63 0.17 -4.98 116.66 109.06 2jmg n ARG 91 Ca 0.09 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.61 2jmg n ARG 91 Cb 0.20 -2.57 -0.04 0.00 0.45 0.00 0.00 32.46 30.50 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 -3.00 3.87 -0.44 5.15 1.01 0.20 -4.95 121.20 123.03 2jmg s ILE 92 Ca 0.00 1.51 0.05 0.00 0.00 0.00 0.00 60.65 62.21 2jmg s ILE 92 Cb 0.00 -3.97 0.43 0.00 0.01 0.00 0.00 42.46 38.93 2jmg s ILE 92 CO 0.00 0.21 1.29 -0.67 0.00 0.00 0.00 174.94 175.77 2jmg n ASP 93 N 2.87 5.26 -1.44 3.58 -0.08 -1.26 -3.35 116.55 122.14 2jmg n ASP 93 Ca 0.05 -3.75 -0.17 0.00 -1.51 0.00 0.00 54.79 49.41 2jmg n ASP 93 Cb 0.46 -0.51 -0.02 0.00 2.34 0.00 0.00 41.12 43.39 2jmg n ASP 93 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 2jmg n VAL 94 N -0.59 0.37 0.30 5.18 0.24 -1.26 -4.75 118.33 117.82 2jmg n VAL 94 Ca 0.44 -0.09 0.17 0.00 -2.04 0.00 0.00 64.34 62.82 2jmg n VAL 94 Cb 0.72 0.00 0.71 0.00 -1.47 0.00 0.00 33.84 33.80 2jmg n VAL 94 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 2jmg h LYS 95 N 0.60 0.00 -2.51 7.34 1.63 -1.95 -3.43 116.57 118.25 2jmg h LYS 95 Ca -0.12 0.00 0.15 0.00 -0.85 0.00 0.00 60.65 59.83 2jmg h LYS 95 Cb 0.46 0.00 -0.07 0.00 -0.60 0.00 0.00 32.23 32.03 2jmg h LYS 95 CO 0.20 0.00 0.43 0.16 -3.45 0.00 0.00 179.45 176.79 2jmg s ASP 96 N -5.45 -0.17 0.35 4.20 1.47 -1.26 -4.08 116.67 111.73 2jmg s ASP 96 Ca 0.01 -0.51 0.24 0.00 1.18 0.00 0.00 52.55 53.48 2jmg s ASP 96 Cb 0.09 0.55 1.26 0.00 -0.34 0.00 0.00 42.92 44.49 2jmg s ASP 96 CO 0.51 -1.04 1.74 0.74 0.68 0.00 0.00 175.17 177.80 2jmg h THR 97 N 2.00 0.00 0.11 2.11 2.02 -1.24 -2.80 112.91 115.11 2jmg h THR 97 Ca -0.24 -0.05 -0.01 0.00 0.77 0.00 0.00 66.41 66.89 2jmg h THR 97 Cb 1.23 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 68.27 2jmg h THR 97 CO 0.27 0.00 -0.05 0.50 0.37 0.00 0.00 175.52 176.60 2jmg h LYS 98 N 0.00 -0.15 -0.86 6.66 1.63 -1.86 -3.28 116.57 118.71 2jmg h LYS 98 Ca 0.00 0.01 0.25 0.00 -0.85 0.00 0.00 60.65 60.06 2jmg h LYS 98 Cb 0.07 0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 31.70 2jmg h LYS 98 CO 0.00 0.13 0.64 1.49 -3.45 0.00 0.00 179.45 178.26 2jmg h GLU 99 N -1.00 0.00 -0.07 1.90 4.57 -1.90 -0.17 114.58 117.91 2jmg h GLU 99 Ca -0.02 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.16 2jmg h GLU 99 Cb 0.34 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.93 2jmg h GLU 99 CO 0.03 0.00 0.04 0.00 -1.18 0.00 0.00 179.01 177.90 2jmg h ALA 100 N 1.52 0.08 0.62 2.92 0.00 -1.60 -0.80 119.26 122.00 2jmg h ALA 100 Ca 0.41 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.27 2jmg h ALA 100 Cb 1.69 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.44 2jmg h ALA 100 CO -0.00 -0.40 -0.43 -0.07 0.00 0.00 0.00 179.25 178.35 2jmg h LEU 101 N 0.05 -1.11 0.00 0.00 -0.00 -1.09 0.26 115.31 113.42 2jmg h LEU 101 Ca 0.02 0.07 0.00 0.00 -0.00 0.00 0.00 57.88 57.98 2jmg h LEU 101 Cb 0.04 0.34 0.00 0.00 -0.00 0.00 0.00 40.66 41.04 2jmg h LEU 101 CO -0.00 -0.64 0.00 -0.67 -0.00 0.00 0.00 178.44 177.12 2jmg n ASP 102 N -5.55 0.00 -0.10 -0.43 2.03 -1.14 -1.37 116.55 109.98 2jmg n ASP 102 Ca -0.13 0.36 -0.19 0.00 0.52 0.00 0.00 54.79 55.35 2jmg n ASP 102 Cb 0.44 -0.39 -0.08 0.00 -0.72 0.00 0.00 41.12 40.37 2jmg n ASP 102 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2jmg n LYS 103 N -1.39 0.54 -0.17 -0.67 4.76 -0.31 -3.11 118.16 117.81 2jmg n LYS 103 Ca 0.02 0.46 -0.05 0.00 -2.87 0.00 0.00 58.31 55.86 2jmg n LYS 103 Cb 0.04 -1.65 0.12 0.00 -1.84 0.00 0.00 35.03 31.70 2jmg n LYS 103 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 2jmg h ILE 104 N -1.00 1.25 -0.13 -0.18 2.04 -0.25 -2.74 117.51 116.49 2jmg h ILE 104 Ca -0.33 -0.95 -0.12 0.00 1.00 0.00 0.00 64.86 64.46 2jmg h ILE 104 Cb 1.19 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 37.96 2jmg h ILE 104 CO -0.20 0.35 -0.38 -0.08 0.00 0.00 0.00 178.15 177.84 2jmg h GLU 105 N 0.90 0.49 -0.93 2.37 4.81 -1.44 -3.17 114.58 117.61 2jmg h GLU 105 Ca 0.18 -0.35 0.17 0.00 -0.13 0.00 0.00 59.36 59.23 2jmg h GLU 105 Cb 0.39 0.06 -0.08 0.00 0.63 0.00 0.00 28.75 29.75 2jmg h GLU 105 CO 0.01 0.97 0.60 1.49 -0.73 0.00 0.00 179.01 181.34 2jmg h GLU 106 N 0.09 0.64 -0.08 1.92 4.81 -1.47 0.22 114.58 120.71 2jmg h GLU 106 Ca -0.01 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.11 2jmg h GLU 106 Cb 1.00 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.22 2jmg h GLU 106 CO 0.08 0.42 -0.26 0.93 -0.73 0.00 0.00 179.01 179.45 2jmg h GLU 107 N 0.65 0.15 -0.21 1.92 5.08 -1.46 -2.93 114.58 117.77 2jmg h GLU 107 Ca 0.49 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.72 2jmg h GLU 107 Cb 0.87 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.10 2jmg h GLU 107 CO -0.24 0.40 -0.21 1.96 -1.00 0.00 0.00 179.01 179.92 2jmg h GLN 108 N 0.13 0.51 -0.48 2.33 4.20 -0.58 -3.03 115.11 118.20 2jmg h GLN 108 Ca 0.02 -0.27 0.11 0.00 0.06 0.00 0.00 58.65 58.57 2jmg h GLN 108 Cb 0.54 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.30 2jmg h GLN 108 CO 0.04 0.85 0.33 -0.97 -0.67 0.00 0.00 178.83 178.41 2jmg h ASN 109 N 0.20 0.16 -0.03 1.46 -1.24 -1.24 0.73 115.58 115.62 2jmg h ASN 109 Ca 0.03 0.00 -0.02 0.00 0.71 0.00 0.00 56.30 57.03 2jmg h ASN 109 Cb 0.75 -0.03 -0.01 0.00 0.73 0.00 0.00 38.32 39.76 2jmg h ASN 109 CO 0.05 0.10 -0.03 0.11 -1.29 0.00 0.00 177.43 176.37 2jmg h LYS 110 N 0.18 0.16 0.00 6.67 1.79 -1.42 -3.35 116.57 120.60 2jmg h LYS 110 Ca 0.22 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.67 2jmg h LYS 110 Cb 0.65 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.27 2jmg h LYS 110 CO -0.04 0.21 0.00 0.43 -1.08 0.00 0.00 179.45 178.98 2jmg n SER 111 N -4.40 0.00 -2.40 0.86 7.64 0.15 -4.94 113.62 110.53 2jmg n SER 111 Ca -0.01 0.10 -0.12 0.00 1.01 0.00 0.00 58.87 59.85 2jmg n SER 111 Cb 0.17 -0.24 -0.01 0.00 -1.01 0.00 0.00 64.21 63.12 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 -1.66 -2.22 0.00 1.43 4.81 -0.61 -4.18 118.16 115.72 2jmg n LYS 112 Ca 0.00 0.58 0.00 0.00 -0.87 0.00 0.00 58.31 58.02 2jmg n LYS 112 Cb 0.00 -5.16 0.00 0.00 0.02 0.00 0.00 35.03 29.89 2jmg n LYS 112 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 2jmg n LYS 113 N -2.75 0.00 0.01 1.64 4.81 -1.26 -4.94 118.16 115.66 2jmg n LYS 113 Ca -0.14 0.00 0.11 0.00 -0.87 0.00 0.00 58.31 57.41 2jmg n LYS 113 Cb 0.60 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 35.55 2jmg n LYS 113 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2jmg n LYS 114 N -0.58 0.36 -0.33 1.64 5.02 -1.26 -4.34 118.16 118.68 2jmg n LYS 114 Ca 0.00 -0.07 0.10 0.00 -2.02 0.00 0.00 58.31 56.32 2jmg n LYS 114 Cb 0.00 -1.55 0.28 0.00 -0.02 0.00 0.00 35.03 33.74 2jmg n LYS 114 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2jmg h ALA 115 N 2.44 1.48 -0.94 7.82 0.00 -1.91 0.91 119.26 129.06 2jmg h ALA 115 Ca 0.00 0.08 -0.55 0.00 0.00 0.00 0.00 54.91 54.44 2jmg h ALA 115 Cb 0.78 -0.05 -0.29 0.00 0.00 0.00 0.00 17.79 18.23 2jmg h ALA 115 CO 0.00 -0.07 0.63 0.94 0.00 0.00 0.00 179.25 180.75 2jmg n GLN 116 N -4.82 2.42 0.00 0.00 -0.06 -1.26 -4.08 117.38 109.58 2jmg n GLN 116 Ca 0.20 -3.17 0.00 0.00 -2.00 0.00 0.00 57.00 52.03 2jmg n GLN 116 Cb 0.51 -2.19 0.00 0.00 -4.06 0.00 0.00 30.24 24.50 2jmg n GLN 116 CO 0.00 0.00 0.00 0.94 -0.20 0.00 0.00 177.06 177.80 2jmg n GLN 117 N -1.05 0.04 0.05 3.69 7.27 0.29 -4.78 117.38 122.89 2jmg n GLN 117 Ca 0.58 0.00 -0.11 0.00 0.07 0.00 0.00 57.00 57.55 2jmg n GLN 117 Cb 1.23 -0.91 -0.13 0.00 2.41 0.00 0.00 30.24 32.84 2jmg n GLN 117 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2jmg h ALA 118 N 0.00 0.38 -0.39 1.69 0.00 -1.67 -3.36 119.26 115.92 2jmg h ALA 118 Ca 0.00 -1.06 -0.60 0.00 0.00 0.00 0.00 54.91 53.25 2jmg h ALA 118 Cb 0.82 0.09 -0.09 0.00 0.00 0.00 0.00 17.79 18.60 2jmg h ALA 118 CO 0.00 1.26 1.93 0.00 0.00 0.00 0.00 179.25 182.43 2jmg n ALA 119 N -2.49 6.86 -2.52 0.00 0.00 -1.26 -4.10 120.51 117.00 2jmg n ALA 119 Ca -0.08 -3.43 -0.01 0.00 0.00 0.00 0.00 53.44 49.92 2jmg n ALA 119 Cb 1.00 -2.71 0.04 0.00 0.00 0.00 0.00 19.45 17.77 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 2.06 2.89 0.09 0.00 0.00 -1.26 -4.95 120.51 119.34 2jmg n ALA 120 Ca 0.61 -1.71 0.00 0.00 0.00 0.00 0.00 53.44 52.34 2jmg n ALA 120 Cb 0.40 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 19.14 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 -0.48 -0.03 -0.59 0.00 9.92 -1.26 -5.13 116.55 118.99 2jmg n ASP 121 Ca -0.08 0.30 0.01 0.00 -0.53 0.00 0.00 54.79 54.49 2jmg n ASP 121 Cb 0.88 0.22 -0.00 0.00 -0.64 0.00 0.00 41.12 41.58 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 -3.16 0.00 0.00 -3.53 -2.24 -1.26 -4.94 114.28 99.15 2jmg n THR 122 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2jmg n THR 122 Cb 0.02 -0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 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 -0.22 -1.52 3.78 3.38 0.00 -1.26 -5.16 105.19 104.19 2jmg n GLY 123 Ca 0.00 0.95 -0.32 0.00 0.00 0.00 0.00 46.02 46.65 2jmg n GLY 123 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2jmg s ASN 124 N 0.00 5.20 -0.13 1.61 0.01 -1.26 -4.97 114.94 115.39 2jmg s ASN 124 Ca 0.00 1.89 0.05 0.00 -0.71 0.00 0.00 52.86 54.09 2jmg s ASN 124 Cb 0.00 -2.54 0.16 0.00 0.41 0.00 0.00 41.25 39.28 2jmg s ASN 124 CO 0.00 -1.57 0.94 -0.46 -1.51 0.00 0.00 177.10 174.50 2jmg n ASN 125 N -2.57 -0.77 -3.47 -1.22 0.23 -1.26 -5.15 115.26 101.05 2jmg n ASN 125 Ca 0.09 -1.54 -0.12 0.00 -0.53 0.00 0.00 54.58 52.49 2jmg n ASN 125 Cb 0.52 0.33 -0.03 0.00 -2.08 0.00 0.00 39.78 38.53 2jmg n ASN 125 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 2jmg s SER 126 N -0.64 -0.50 0.16 0.53 0.15 -1.26 -5.18 113.70 106.95 2jmg s SER 126 Ca 0.04 -0.06 0.05 0.00 0.70 0.00 0.00 55.95 56.67 2jmg s SER 126 Cb 0.18 0.57 -0.04 0.00 -1.71 0.00 0.00 66.02 65.01 2jmg s SER 126 CO -0.05 -0.94 -0.11 0.00 1.20 0.00 0.00 173.24 173.34 2jmg s GLN 127 N -3.74 1.11 0.13 5.44 -2.07 -1.26 -5.17 119.66 114.10 2jmg s GLN 127 Ca 0.01 -1.48 -0.09 0.00 -1.82 0.00 0.00 55.36 51.99 2jmg s GLN 127 Cb -0.00 -0.71 -0.00 0.00 -1.09 0.00 0.00 33.01 31.20 2jmg s GLN 127 CO -0.13 0.10 0.24 0.14 -1.32 0.00 0.00 175.29 174.32 2jmg s VAL 128 N -3.26 0.10 0.69 3.63 -7.23 -1.26 -5.17 120.40 107.91 2jmg s VAL 128 Ca 0.18 -1.28 -0.11 0.00 -1.81 0.00 0.00 61.98 58.95 2jmg s VAL 128 Cb 0.02 -1.59 0.01 0.00 0.56 0.00 0.00 36.38 35.38 2jmg s VAL 128 CO 0.02 -0.47 1.08 -0.94 -0.31 0.00 0.00 175.10 174.48 2jmg s SER 129 N -2.91 5.56 0.00 4.85 1.04 -1.26 -5.09 113.70 115.89 2jmg s SER 129 Ca 0.11 1.21 -0.04 0.00 0.48 0.00 0.00 55.95 57.71 2jmg s SER 129 Cb 0.04 -2.06 -0.01 0.00 0.10 0.00 0.00 66.02 64.09 2jmg s SER 129 CO -0.06 -1.28 0.07 0.00 0.98 0.00 0.00 173.24 172.95 2jmg s GLN 130 N -5.30 0.34 0.00 4.02 -2.07 -1.26 -5.16 119.66 110.24 2jmg s GLN 130 Ca 0.58 -0.37 -0.03 0.00 -1.82 0.00 0.00 55.36 53.71 2jmg s GLN 130 Cb -0.11 0.14 0.01 0.00 -1.09 0.00 0.00 33.01 31.96 2jmg s GLN 130 CO 0.52 -0.07 0.14 0.27 -1.32 0.00 0.00 175.29 174.83 2jmg n ASN 131 N 1.82 -0.16 0.00 12.60 6.94 -1.26 -5.35 115.26 129.86 2jmg n ASN 131 Ca -0.21 -1.05 0.00 0.00 -0.02 0.00 0.00 54.58 53.30 2jmg n ASN 131 Cb 0.56 0.25 0.00 0.00 -2.36 0.00 0.00 39.78 38.23 2jmg n ASN 131 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23