#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 0.12 -1.30 4.61 0.00 -1.26 -5.07 120.51 117.61 2jmg n ALA 3 Ca 0.00 -0.24 -0.36 0.00 0.00 0.00 0.00 53.44 52.84 2jmg n ALA 3 Cb 0.00 0.08 0.07 0.00 0.00 0.00 0.00 19.45 19.60 2jmg n ALA 3 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2jmg n ARG 4 N -0.96 0.37 -1.42 0.00 1.74 -1.26 -4.88 116.66 110.25 2jmg n ARG 4 Ca 0.01 0.17 -0.37 0.00 -0.77 0.00 0.00 57.85 56.89 2jmg n ARG 4 Cb 0.07 -1.89 0.06 0.00 -1.02 0.00 0.00 32.46 29.67 2jmg n ARG 4 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2jmg n ALA 5 N -2.34 -0.95 -1.28 7.54 0.00 -1.26 -4.70 120.51 117.52 2jmg n ALA 5 Ca 0.11 -0.11 0.16 0.00 0.00 0.00 0.00 53.44 53.60 2jmg n ALA 5 Cb 0.50 -1.91 -0.07 0.00 0.00 0.00 0.00 19.45 17.96 2jmg n ALA 5 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2jmg n SER 6 N -0.21 -7.45 0.00 0.00 2.88 -1.26 -4.98 113.62 102.59 2jmg n SER 6 Ca 0.12 1.04 0.00 0.00 -1.33 0.00 0.00 58.87 58.70 2jmg n SER 6 Cb 0.49 -4.23 0.00 0.00 -0.75 0.00 0.00 64.21 59.72 2jmg n SER 6 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2jmg n ARG 7 N -4.10 0.00 -0.67 -1.46 1.74 -1.26 -5.03 116.66 105.88 2jmg n ARG 7 Ca -0.05 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.74 2jmg n ARG 7 Cb 0.60 -0.42 0.22 0.00 -1.02 0.00 0.00 32.46 31.84 2jmg n ARG 7 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2jmg s LEU 8 N -3.65 1.53 0.00 0.55 1.43 -1.26 -5.06 118.68 112.22 2jmg s LEU 8 Ca 0.00 1.69 0.06 0.00 -1.03 0.00 0.00 54.13 54.85 2jmg s LEU 8 Cb 0.00 -3.78 -0.02 0.00 0.03 0.00 0.00 46.19 42.42 2jmg s LEU 8 CO 0.00 -3.73 0.23 -0.24 0.23 0.00 0.00 176.35 172.84 2jmg n SER 9 N -4.62 0.07 -0.33 2.29 2.88 -1.26 -4.99 113.62 107.66 2jmg n SER 9 Ca 0.06 -3.19 0.16 0.00 -1.33 0.00 0.00 58.87 54.57 2jmg n SER 9 Cb 0.54 1.42 0.36 0.00 -0.75 0.00 0.00 64.21 65.77 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 1.88 1.79 0.65 0.46 0.00 -1.97 0.27 103.07 106.16 2jmg h GLY 10 Ca -0.27 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 46.78 2jmg h GLY 10 CO 0.41 -0.24 -0.38 -1.33 0.00 0.00 0.00 176.54 175.00 2jmg h GLY 11 N 0.54 -0.92 1.74 4.60 0.00 -2.01 -2.29 103.07 104.73 2jmg h GLY 11 Ca 0.61 0.43 -0.10 0.00 0.00 0.00 0.00 47.33 48.28 2jmg h GLY 11 CO -0.48 -0.32 -0.33 -2.09 0.00 0.00 0.00 176.54 173.32 2jmg h GLU 12 N -0.81 0.30 -0.20 4.80 4.57 -1.76 -2.67 114.58 118.82 2jmg h GLU 12 Ca -0.04 -0.12 0.06 0.00 -1.18 0.00 0.00 59.36 58.08 2jmg h GLU 12 Cb 0.71 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.28 2jmg h GLU 12 CO -0.04 0.60 0.17 1.25 -1.18 0.00 0.00 179.01 179.82 2jmg h LEU 13 N 0.26 0.00 -0.45 1.64 6.46 -0.17 -1.12 115.31 121.93 2jmg h LEU 13 Ca 0.03 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.78 2jmg h LEU 13 Cb 0.71 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.62 2jmg h LEU 13 CO 0.05 0.00 0.25 -0.78 -0.62 0.00 0.00 178.44 177.34 2jmg h ASP 14 N 0.00 0.57 0.01 1.25 3.58 -1.05 -1.31 116.42 119.47 2jmg h ASP 14 Ca 0.10 -0.09 -0.22 0.00 0.42 0.00 0.00 57.03 57.23 2jmg h ASP 14 Cb 0.44 -0.15 0.02 0.00 1.72 0.00 0.00 39.33 41.36 2jmg h ASP 14 CO -0.00 0.50 -0.87 0.11 -2.88 0.00 0.00 179.24 176.10 2jmg h LYS 15 N 0.60 0.58 -0.91 0.28 1.57 -1.42 -2.67 116.57 114.59 2jmg h LYS 15 Ca 0.16 -0.63 0.10 0.00 -1.87 0.00 0.00 60.65 58.41 2jmg h LYS 15 Cb 0.06 0.18 -0.07 0.00 0.08 0.00 0.00 32.23 32.48 2jmg h LYS 15 CO -0.03 1.24 0.58 2.35 -0.57 0.00 0.00 179.45 183.03 2jmg h TRP 16 N 0.18 0.98 -0.00 -1.35 2.91 -1.15 0.17 115.95 117.68 2jmg h TRP 16 Ca -0.11 0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.94 2jmg h TRP 16 Cb 1.55 -0.31 0.00 0.00 -0.51 0.00 0.00 29.16 29.88 2jmg h TRP 16 CO 0.12 0.44 -0.23 0.39 -1.03 0.00 0.00 178.44 178.14 2jmg n GLU 17 N -4.54 0.15 0.14 2.65 1.02 -0.50 -3.42 120.64 116.14 2jmg n GLU 17 Ca 0.16 -0.06 0.12 0.00 -0.02 0.00 0.00 57.16 57.36 2jmg n GLU 17 Cb 0.32 -1.50 0.26 0.00 -0.02 0.00 0.00 31.44 30.50 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 0.14 0.00 -6.43 3.49 3.64 -0.30 -3.41 116.57 113.70 2jmg h LYS 18 Ca 0.00 0.00 -0.53 0.00 -1.27 0.00 0.00 60.65 58.85 2jmg h LYS 18 Cb 0.47 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.26 2jmg h LYS 18 CO 0.00 0.00 0.26 0.42 -2.27 0.00 0.00 179.45 177.86 2jmg s ILE 19 N -3.17 4.61 0.11 2.00 1.01 -1.07 -4.99 121.20 119.70 2jmg s ILE 19 Ca 0.08 1.85 -0.15 0.00 0.00 0.00 0.00 60.65 62.42 2jmg s ILE 19 Cb 0.10 -4.22 -0.07 0.00 0.01 0.00 0.00 42.46 38.28 2jmg s ILE 19 CO 0.65 0.34 0.53 -0.13 0.00 0.00 0.00 174.94 176.33 2jmg s ARG 20 N -0.05 4.02 0.06 2.79 0.52 -1.25 -1.99 118.95 123.06 2jmg s ARG 20 Ca 0.43 0.53 -0.16 0.00 -0.52 0.00 0.00 55.73 56.01 2jmg s ARG 20 Cb -0.22 -3.05 -0.18 0.00 0.52 0.00 0.00 34.95 32.02 2jmg s ARG 20 CO 0.26 0.55 1.25 -0.07 0.02 0.00 0.00 175.30 177.31 2jmg h LEU 21 N 3.96 0.76 -9.97 2.53 3.38 -0.71 -2.13 115.31 113.13 2jmg h LEU 21 Ca -0.49 -0.65 -0.50 0.00 0.09 0.00 0.00 57.88 56.33 2jmg h LEU 21 Cb 1.20 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.69 2jmg h LEU 21 CO 0.65 1.29 -0.49 -0.13 0.09 0.00 0.00 178.44 179.84 2jmg s ARG 22 N -3.66 2.89 -0.01 1.13 0.52 -1.26 -3.84 118.95 114.72 2jmg s ARG 22 Ca -0.12 -1.12 -0.25 0.00 -0.52 0.00 0.00 55.73 53.72 2jmg s ARG 22 Cb 0.07 -2.56 -0.19 0.00 0.52 0.00 0.00 34.95 32.79 2jmg s ARG 22 CO 0.86 0.29 1.28 -1.00 0.02 0.00 0.00 175.30 176.76 2jmg h PRO 23 N 1.38 0.06 -0.26 3.54 0.13 -1.92 -3.33 132.00 131.60 2jmg h PRO 23 Ca -0.47 -0.03 -0.14 0.00 -0.87 0.00 0.00 66.00 64.48 2jmg h PRO 23 Cb 1.24 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.29 2jmg h PRO 23 CO 0.60 0.53 -0.23 0.41 -0.23 0.00 0.00 178.00 179.08 2jmg n GLY 24 N 0.22 5.05 0.00 1.56 0.00 -1.26 -4.93 105.19 105.83 2jmg n GLY 24 Ca -0.08 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.62 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 -1.11 3.16 0.00 -0.02 0.00 -1.25 -5.06 105.19 100.91 2jmg n GLY 25 Ca 0.30 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 44.19 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 -0.45 -0.45 -2.72 1.61 5.02 -1.26 -4.90 118.16 115.01 2jmg n LYS 26 Ca 0.00 -0.50 -0.33 0.00 -2.02 0.00 0.00 58.31 55.46 2jmg n LYS 26 Cb 0.00 -0.90 -0.06 0.00 -0.02 0.00 0.00 35.03 34.05 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 -0.09 4.12 0.21 1.97 -0.14 -1.26 -4.96 119.74 119.59 2jmg s LYS 27 Ca 0.00 1.13 0.03 0.00 -1.36 0.00 0.00 55.97 55.78 2jmg s LYS 27 Cb 0.00 -2.16 -0.01 0.00 -1.68 0.00 0.00 37.83 33.98 2jmg s LYS 27 CO 0.00 -0.13 0.12 1.04 -0.76 0.00 0.00 175.35 175.62 2jmg n GLN 28 N -0.82 0.48 -3.41 1.68 6.02 -1.26 -0.05 117.38 120.02 2jmg n GLN 28 Ca 0.07 -1.90 -0.33 0.00 -0.01 0.00 0.00 57.00 54.83 2jmg n GLN 28 Cb 0.54 1.29 -0.05 0.00 1.02 0.00 0.00 30.24 33.03 2jmg n GLN 28 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 2jmg s TYR 29 N -2.58 3.50 0.19 1.08 2.02 -0.84 -4.57 117.35 116.16 2jmg s TYR 29 Ca 0.17 0.93 -0.01 0.00 -0.37 0.00 0.00 57.07 57.79 2jmg s TYR 29 Cb 0.01 -2.28 -0.04 0.00 -0.40 0.00 0.00 41.96 39.24 2jmg s TYR 29 CO 0.12 0.35 0.12 0.15 -1.57 0.00 0.00 175.55 174.73 2jmg s LYS 30 N -2.43 1.18 0.47 -0.62 1.02 -1.26 -4.08 119.74 114.03 2jmg s LYS 30 Ca 0.43 -1.62 0.29 0.00 0.02 0.00 0.00 55.97 55.09 2jmg s LYS 30 Cb -0.13 0.26 1.35 0.00 -0.52 0.00 0.00 37.83 38.80 2jmg s LYS 30 CO 0.20 -0.38 1.77 1.25 -0.92 0.00 0.00 175.35 177.27 2jmg h LEU 31 N 2.64 0.21 -1.26 3.17 5.85 -1.98 0.17 115.31 124.11 2jmg h LEU 31 Ca -0.36 0.05 0.32 0.00 0.84 0.00 0.00 57.88 58.73 2jmg h LEU 31 Cb 1.25 0.02 -0.12 0.00 0.37 0.00 0.00 40.66 42.18 2jmg h LEU 31 CO 0.54 0.02 0.69 0.11 -0.34 0.00 0.00 178.44 179.45 2jmg h LYS 32 N 0.18 0.30 0.04 1.25 1.57 -2.00 -0.22 116.57 117.69 2jmg h LYS 32 Ca 0.61 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 59.31 2jmg h LYS 32 Cb 2.01 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 34.25 2jmg h LYS 32 CO -0.17 0.20 -0.28 0.45 -0.57 0.00 0.00 179.45 179.08 2jmg h HIS 33 N 0.31 0.21 -0.88 -1.35 3.86 -1.07 -2.36 115.15 113.87 2jmg h HIS 33 Ca 0.69 -0.14 0.24 0.00 -1.16 0.00 0.00 60.37 60.01 2jmg h HIS 33 Cb 1.80 -0.01 -0.04 0.00 1.06 0.00 0.00 27.41 30.22 2jmg h HIS 33 CO -0.01 1.06 0.62 0.82 0.86 0.00 0.00 177.93 181.28 2jmg h ILE 34 N -0.70 0.58 0.04 2.45 2.04 -1.11 0.25 117.51 121.07 2jmg h ILE 34 Ca -0.05 -0.03 -0.09 0.00 1.00 0.00 0.00 64.86 65.70 2jmg h ILE 34 Cb 1.16 0.50 -0.00 0.00 -0.74 0.00 0.00 36.82 37.74 2jmg h ILE 34 CO 0.05 0.01 -0.44 0.58 0.00 0.00 0.00 178.15 178.36 2jmg h VAL 35 N 0.08 1.57 -0.99 1.67 2.07 -1.32 -2.93 116.25 116.38 2jmg h VAL 35 Ca 0.43 -2.37 0.03 0.00 0.82 0.00 0.00 66.70 65.60 2jmg h VAL 35 Cb 1.58 3.15 -0.05 0.00 -1.52 0.00 0.00 31.29 34.45 2jmg h VAL 35 CO -0.04 0.60 0.65 -0.25 0.02 0.00 0.00 177.57 178.55 2jmg h TRP 36 N -0.82 1.23 0.47 1.57 7.01 -0.70 -1.73 115.95 122.98 2jmg h TRP 36 Ca -0.10 0.03 -0.02 0.00 2.11 0.00 0.00 58.89 60.91 2jmg h TRP 36 Cb 1.23 -0.41 0.00 0.00 -2.10 0.00 0.00 29.16 27.88 2jmg h TRP 36 CO 0.23 0.74 -0.23 0.00 -2.79 0.00 0.00 178.44 176.39 2jmg h ALA 37 N 1.39 -0.64 -0.74 2.65 0.00 -0.68 0.33 119.26 121.58 2jmg h ALA 37 Ca 0.38 -0.19 0.21 0.00 0.00 0.00 0.00 54.91 55.32 2jmg h ALA 37 Cb -0.06 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2jmg h ALA 37 CO -0.11 -0.71 0.55 0.77 0.00 0.00 0.00 179.25 179.75 2jmg h SER 38 N -0.92 0.00 0.08 0.00 0.02 -1.38 -0.98 113.55 110.37 2jmg h SER 38 Ca -0.06 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.70 2jmg h SER 38 Cb 0.59 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.13 2jmg h SER 38 CO 0.11 0.00 -0.94 0.03 -1.14 0.00 0.00 176.83 174.89 2jmg h ARG 39 N 0.00 0.17 -0.24 3.45 2.47 -1.14 -3.31 114.38 115.78 2jmg h ARG 39 Ca 0.35 -0.29 0.06 0.00 -1.26 0.00 0.00 59.98 58.84 2jmg h ARG 39 Cb 1.44 0.11 -0.06 0.00 -1.65 0.00 0.00 29.97 29.80 2jmg h ARG 39 CO -0.00 1.14 -0.17 1.49 0.56 0.00 0.00 179.97 182.98 2jmg h GLU 40 N -0.58 -0.16 -1.00 0.04 4.57 0.87 -0.96 114.58 117.36 2jmg h GLU 40 Ca -0.21 0.01 0.20 0.00 -1.18 0.00 0.00 59.36 58.19 2jmg h GLU 40 Cb 1.50 0.04 -0.11 0.00 -0.16 0.00 0.00 28.75 30.02 2jmg h GLU 40 CO 0.03 -0.11 0.61 -0.07 -1.18 0.00 0.00 179.01 178.30 2jmg h LEU 41 N -0.16 0.73 -2.09 1.64 3.38 -1.39 0.43 115.31 117.84 2jmg h LEU 41 Ca 0.14 0.10 0.07 0.00 0.09 0.00 0.00 57.88 58.27 2jmg h LEU 41 Cb 0.37 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 2jmg h LEU 41 CO -0.34 0.24 0.20 -0.08 0.09 0.00 0.00 178.44 178.55 2jmg h GLU 42 N 0.70 0.00 0.00 1.13 4.22 -0.87 0.15 114.58 119.91 2jmg h GLU 42 Ca 0.58 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 60.00 2jmg h GLU 42 Cb 0.99 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.24 2jmg h GLU 42 CO -0.37 0.00 -1.08 -2.13 -2.18 0.00 0.00 179.01 173.25 2jmg n ARG 43 N -4.23 0.61 -0.89 1.92 3.00 0.14 -3.94 116.66 113.26 2jmg n ARG 43 Ca 0.03 0.13 -0.18 0.00 -0.00 0.00 0.00 57.85 57.83 2jmg n ARG 43 Cb 0.35 -1.82 0.12 0.00 0.00 0.00 0.00 32.46 31.11 2jmg n ARG 43 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 2jmg n PHE 44 N -2.69 2.21 -1.69 -0.14 3.72 0.17 -4.84 117.46 114.19 2jmg n PHE 44 Ca -0.01 -1.54 -0.13 0.00 -0.05 0.00 0.00 57.45 55.71 2jmg n PHE 44 Cb 0.58 -0.78 -0.04 0.00 -0.94 0.00 0.00 39.48 38.30 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 -0.64 -0.36 -3.33 4.37 0.00 -1.13 -4.92 120.51 114.48 2jmg n ALA 45 Ca 0.43 0.19 -0.32 0.00 0.00 0.00 0.00 53.44 53.73 2jmg n ALA 45 Cb 1.28 -1.47 -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 -2.29 2.34 0.23 0.00 1.01 0.27 -5.03 120.40 116.92 2jmg s VAL 46 Ca 0.00 -0.91 -0.30 0.00 0.00 0.00 0.00 61.98 60.78 2jmg s VAL 46 Cb 0.00 -1.94 -0.09 0.00 0.00 0.00 0.00 36.38 34.36 2jmg s VAL 46 CO 0.00 0.54 1.17 0.20 0.00 0.00 0.00 175.10 177.01 2jmg s ASN 47 N 0.53 7.13 0.00 3.32 0.01 -1.26 -2.52 114.94 122.15 2jmg s ASN 47 Ca -0.13 2.28 0.15 0.00 -0.71 0.00 0.00 52.86 54.45 2jmg s ASN 47 Cb -0.17 -2.62 0.79 0.00 0.41 0.00 0.00 41.25 39.66 2jmg s ASN 47 CO 0.04 -0.29 1.39 -0.81 -1.51 0.00 0.00 177.10 175.92 2jmg n PRO 48 N 1.88 0.27 0.00 -0.60 -0.04 -1.26 -2.91 135.00 132.34 2jmg n PRO 48 Ca 0.02 0.11 0.03 0.00 -0.04 0.00 0.00 63.50 63.62 2jmg n PRO 48 Cb 0.45 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.57 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 -0.87 0.05 0.55 0.00 -1.26 -2.87 105.19 100.76 2jmg n GLY 49 Ca 0.08 -0.04 0.12 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.60 0.65 0.00 0.99 4.77 -1.15 -3.79 117.00 117.88 2jmg n LEU 50 Ca 0.04 0.10 0.14 0.00 -0.03 0.00 0.00 56.01 56.27 2jmg n LEU 50 Cb 0.02 -0.13 0.70 0.00 -2.33 0.00 0.00 43.42 41.68 2jmg n LEU 50 CO 0.03 -0.01 0.98 0.18 -1.33 0.00 0.00 177.39 177.24 2jmg n LEU 51 N -2.07 0.00 -2.59 2.23 4.77 -1.14 -2.36 117.00 115.85 2jmg n LEU 51 Ca 0.02 0.33 -0.36 0.00 -0.03 0.00 0.00 56.01 55.97 2jmg n LEU 51 Cb 0.45 -0.33 0.06 0.00 -2.33 0.00 0.00 43.42 41.26 2jmg n LEU 51 CO 0.39 -0.02 1.37 -1.84 -1.33 0.00 0.00 177.39 175.96 2jmg n GLU 52 N -1.33 2.80 -3.40 3.23 0.28 -1.25 -4.87 120.64 116.10 2jmg n GLU 52 Ca 0.12 -3.50 0.02 0.00 -0.16 0.00 0.00 57.16 53.65 2jmg n GLU 52 Cb 0.25 -2.28 -0.05 0.00 1.43 0.00 0.00 31.44 30.79 2jmg n GLU 52 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 177.13 176.89 2jmg s THR 53 N -4.97 -0.12 0.37 3.84 -1.32 -1.24 -4.97 115.64 107.24 2jmg s THR 53 Ca 0.58 0.00 0.13 0.00 -1.21 0.00 0.00 61.69 61.19 2jmg s THR 53 Cb 0.47 -1.00 0.35 0.00 -1.51 0.00 0.00 72.50 70.81 2jmg s THR 53 CO -0.20 0.00 1.83 0.77 -2.21 0.00 0.00 174.62 174.81 2jmg h SER 54 N 6.49 0.56 1.32 8.08 4.64 -1.89 0.33 113.55 133.08 2jmg h SER 54 Ca -0.19 0.06 -0.12 0.00 -0.47 0.00 0.00 61.79 61.07 2jmg h SER 54 Cb 1.14 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 63.17 2jmg h SER 54 CO 0.13 0.22 -0.55 -0.33 -0.87 0.00 0.00 176.83 175.44 2jmg h GLU 55 N 0.56 0.00 -0.18 4.77 5.08 -1.95 -3.25 114.58 119.60 2jmg h GLU 55 Ca 0.50 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.78 2jmg h GLU 55 Cb 1.03 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.28 2jmg h GLU 55 CO -0.24 0.55 -0.22 0.78 -1.00 0.00 0.00 179.01 178.88 2jmg h GLY 56 N 3.19 0.51 0.75 -3.84 0.00 -0.56 -2.79 103.07 100.32 2jmg h GLY 56 Ca -0.01 -0.54 -0.04 0.00 0.00 0.00 0.00 47.33 46.75 2jmg h GLY 56 CO 0.07 0.49 -0.39 0.00 0.00 0.00 0.00 176.54 176.71 2jmg h ARG 58 N -1.04 0.45 -0.48 0.00 1.12 -1.67 0.22 114.38 112.97 2jmg h ARG 58 Ca -0.10 -0.03 0.00 0.00 -1.11 0.00 0.00 59.98 58.74 2jmg h ARG 58 Cb 0.81 -0.10 -0.02 0.00 -0.01 0.00 0.00 29.97 30.64 2jmg h ARG 58 CO 0.15 0.29 0.31 0.37 -3.11 0.00 0.00 179.97 177.99 2jmg h GLN 59 N 0.46 0.64 -0.63 0.20 4.15 -1.23 -2.64 115.11 116.07 2jmg h GLN 59 Ca 0.67 -0.04 0.09 0.00 0.77 0.00 0.00 58.65 60.13 2jmg h GLN 59 Cb 1.37 -0.14 -0.07 0.00 0.21 0.00 0.00 27.48 28.85 2jmg h GLN 59 CO -0.53 0.44 0.28 0.82 -1.93 0.00 0.00 178.83 177.90 2jmg h ILE 60 N 0.65 0.83 -0.66 2.39 2.04 0.15 -0.66 117.51 122.25 2jmg h ILE 60 Ca 0.18 -0.17 0.07 0.00 1.00 0.00 0.00 64.86 65.93 2jmg h ILE 60 Cb -0.06 0.29 -0.04 0.00 -0.74 0.00 0.00 36.82 36.27 2jmg h ILE 60 CO -0.04 0.09 0.44 -0.07 0.00 0.00 0.00 178.15 178.57 2jmg h LEU 61 N 0.49 0.57 -1.42 1.44 3.38 -1.13 -1.28 115.31 117.37 2jmg h LEU 61 Ca 0.31 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.26 2jmg h LEU 61 Cb 0.34 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2jmg h LEU 61 CO -0.27 0.37 0.18 1.23 0.09 0.00 0.00 178.44 180.04 2jmg h GLY 62 N 0.65 0.61 1.40 0.83 0.00 -0.90 0.35 103.07 106.03 2jmg h GLY 62 Ca 0.29 -0.28 -0.10 0.00 0.00 0.00 0.00 47.33 47.24 2jmg h GLY 62 CO -0.09 0.27 -0.18 1.46 0.00 0.00 0.00 176.54 178.00 2jmg h GLN 63 N 0.57 0.70 0.00 4.80 1.08 -1.10 -2.82 115.11 118.34 2jmg h GLN 63 Ca 0.14 -0.25 0.00 0.00 -1.45 0.00 0.00 58.65 57.09 2jmg h GLN 63 Cb 0.09 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.48 2jmg h GLN 63 CO -0.02 0.83 -0.69 -0.07 -0.95 0.00 0.00 178.83 177.94 2jmg h LEU 64 N 0.62 0.00 -0.16 1.46 3.38 -1.32 -3.38 115.31 115.91 2jmg h LEU 64 Ca 0.10 -0.13 0.03 0.00 0.09 0.00 0.00 57.88 57.97 2jmg h LEU 64 Cb 0.65 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.34 2jmg h LEU 64 CO 0.05 0.07 -0.53 1.56 0.09 0.00 0.00 178.44 179.67 2jmg h GLN 65 N 0.00 -0.54 0.00 1.13 1.08 -0.04 0.42 115.11 117.16 2jmg h GLN 65 Ca 0.00 0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 2jmg h GLN 65 Cb 0.84 0.12 0.00 0.00 -0.05 0.00 0.00 27.48 28.39 2jmg h GLN 65 CO 0.00 -0.36 0.00 -0.35 -0.95 0.00 0.00 178.83 177.17 2jmg n PRO 66 N -5.43 0.27 -0.00 1.46 -0.04 -1.25 -1.89 135.00 128.12 2jmg n PRO 66 Ca -0.06 0.11 0.07 0.00 -0.04 0.00 0.00 63.50 63.59 2jmg n PRO 66 Cb 0.38 -1.50 -0.09 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 -1.22 0.74 0.05 3.54 7.64 0.69 -4.43 113.62 120.63 2jmg n SER 67 Ca 0.08 -0.86 0.19 0.00 1.01 0.00 0.00 58.87 59.28 2jmg n SER 67 Cb 0.10 1.00 0.70 0.00 -1.01 0.00 0.00 64.21 65.01 2jmg n SER 67 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2jmg h LEU 68 N 0.00 0.00 -0.58 -3.43 3.38 0.39 0.33 115.31 115.40 2jmg h LEU 68 Ca 0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 2jmg h LEU 68 Cb 0.37 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 2jmg h LEU 68 CO 0.00 0.00 -0.03 -0.61 0.09 0.00 0.00 178.44 177.89 2jmg h GLN 69 N 0.00 1.04 -1.43 1.13 4.15 -1.77 -3.30 115.11 114.93 2jmg h GLN 69 Ca 0.21 -0.35 -0.50 0.00 0.77 0.00 0.00 58.65 58.79 2jmg h GLN 69 Cb 0.87 -0.09 -0.41 0.00 0.21 0.00 0.00 27.48 28.06 2jmg h GLN 69 CO -0.00 1.04 -0.93 0.25 -1.93 0.00 0.00 178.83 177.26 2jmg n THR 70 N -4.19 1.73 -4.36 2.39 -2.24 -0.13 -5.07 114.28 102.41 2jmg n THR 70 Ca 0.02 -4.26 -0.34 0.00 -2.27 0.00 0.00 64.05 57.21 2jmg n THR 70 Cb 0.36 -0.48 -0.11 0.00 -2.10 0.00 0.00 70.33 68.00 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 -3.30 1.75 1.25 3.38 0.00 0.98 -4.99 107.32 106.40 2jmg s GLY 71 Ca 0.40 -0.81 -0.20 0.00 0.00 0.00 0.00 44.72 44.11 2jmg s GLY 71 CO -0.09 -0.12 1.07 -1.35 0.00 0.00 0.00 173.10 172.60 2jmg s SER 72 N 0.20 0.45 0.60 1.64 1.04 -1.26 -4.60 113.70 111.76 2jmg s SER 72 Ca -0.01 0.71 0.30 0.00 0.48 0.00 0.00 55.95 57.42 2jmg s SER 72 Cb -0.14 -0.99 1.70 0.00 0.10 0.00 0.00 66.02 66.69 2jmg s SER 72 CO 0.02 -4.42 2.10 -0.33 0.98 0.00 0.00 173.24 171.59 2jmg h GLU 73 N -2.78 0.00 0.24 4.02 5.08 -1.99 -1.77 114.58 117.38 2jmg h GLU 73 Ca -0.45 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.90 2jmg h GLU 73 Cb 1.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.56 2jmg h GLU 73 CO 0.33 0.00 -0.12 1.49 -1.00 0.00 0.00 179.01 179.72 2jmg h GLU 74 N 0.00 -0.31 -0.50 2.33 4.81 -2.00 -2.64 114.58 116.27 2jmg h GLU 74 Ca 0.08 0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.38 2jmg h GLU 74 Cb 0.50 0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.90 2jmg h GLU 74 CO -0.00 0.04 0.23 1.25 -0.73 0.00 0.00 179.01 179.80 2jmg h LEU 75 N -0.91 0.32 -0.68 1.64 6.46 -1.74 -2.05 115.31 118.36 2jmg h LEU 75 Ca -0.03 0.03 0.08 0.00 -0.12 0.00 0.00 57.88 57.84 2jmg h LEU 75 Cb 0.50 -0.02 -0.06 0.00 -0.73 0.00 0.00 40.66 40.35 2jmg h LEU 75 CO 0.05 0.22 0.35 0.03 -0.62 0.00 0.00 178.44 178.48 2jmg h ARG 76 N 0.46 0.61 0.21 1.25 2.47 -1.43 -2.04 114.38 115.91 2jmg h ARG 76 Ca 0.22 -0.04 -0.00 0.00 -1.26 0.00 0.00 59.98 58.90 2jmg h ARG 76 Cb 0.15 -0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 28.33 2jmg h ARG 76 CO -0.17 0.40 -0.16 0.77 0.56 0.00 0.00 179.97 181.37 2jmg h SER 77 N 0.63 -0.42 -0.29 7.04 0.02 -1.00 -2.44 113.55 117.08 2jmg h SER 77 Ca 0.32 0.03 0.07 0.00 -0.84 0.00 0.00 61.79 61.37 2jmg h SER 77 Cb 0.28 0.14 -0.08 0.00 0.14 0.00 0.00 62.40 62.88 2jmg h SER 77 CO -0.23 -0.25 -0.25 -0.07 -1.14 0.00 0.00 176.83 174.89 2jmg h LEU 78 N -0.38 -0.81 -0.64 5.07 -0.00 -1.01 0.30 115.31 117.83 2jmg h LEU 78 Ca -0.01 0.15 0.14 0.00 -0.00 0.00 0.00 57.88 58.16 2jmg h LEU 78 Cb 0.34 0.39 -0.11 0.00 -0.00 0.00 0.00 40.66 41.28 2jmg h LEU 78 CO -0.01 -0.28 0.03 0.22 -0.00 0.00 0.00 178.44 178.40 2jmg h TYR 79 N -0.24 0.01 0.00 1.13 3.20 -1.21 0.55 116.97 120.41 2jmg h TYR 79 Ca 0.15 0.05 -0.01 0.00 3.14 0.00 0.00 58.73 62.05 2jmg h TYR 79 Cb 0.47 0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.84 2jmg h TYR 79 CO -0.42 -0.16 -0.07 -0.91 -1.64 0.00 0.00 178.16 174.96 2jmg h ASN 80 N 0.14 0.00 0.02 -2.11 4.21 -0.78 -2.74 115.58 114.32 2jmg h ASN 80 Ca 0.34 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.85 2jmg h ASN 80 Cb 0.56 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.76 2jmg h ASN 80 CO -0.53 0.07 -0.01 0.74 -1.29 0.00 0.00 177.43 176.41 2jmg h THR 81 N 0.00 0.00 -0.91 2.81 2.02 0.36 -3.25 112.91 113.93 2jmg h THR 81 Ca -0.00 -0.37 0.25 0.00 0.77 0.00 0.00 66.41 67.06 2jmg h THR 81 Cb 0.68 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 67.04 2jmg h THR 81 CO 0.01 0.00 0.64 0.40 0.37 0.00 0.00 175.52 176.94 2jmg h ILE 82 N -0.39 0.57 -0.06 3.11 2.04 -0.62 0.45 117.51 122.61 2jmg h ILE 82 Ca -0.00 -0.03 -0.04 0.00 1.00 0.00 0.00 64.86 65.78 2jmg h ILE 82 Cb 0.02 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.55 2jmg h ILE 82 CO 0.00 0.02 -0.16 0.00 0.00 0.00 0.00 178.15 178.01 2jmg h ALA 83 N 1.56 1.63 0.03 1.87 0.00 -1.61 0.20 119.26 122.95 2jmg h ALA 83 Ca 0.45 -0.18 -0.24 0.00 0.00 0.00 0.00 54.91 54.94 2jmg h ALA 83 Cb 1.61 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.32 2jmg h ALA 83 CO -0.06 0.27 -1.21 0.28 0.00 0.00 0.00 179.25 178.54 2jmg h VAL 84 N 0.09 1.48 0.13 0.00 2.07 -0.14 -3.32 116.25 116.56 2jmg h VAL 84 Ca 0.02 -3.19 -0.28 0.00 0.82 0.00 0.00 66.70 64.07 2jmg h VAL 84 Cb 0.34 2.78 0.03 0.00 -1.52 0.00 0.00 31.29 32.91 2jmg h VAL 84 CO 0.02 0.87 -1.17 0.25 0.02 0.00 0.00 177.57 177.56 2jmg h LEU 85 N 0.02 0.80 -1.01 2.57 5.85 -0.98 -3.23 115.31 119.33 2jmg h LEU 85 Ca -0.10 -0.85 0.19 0.00 0.84 0.00 0.00 57.88 57.97 2jmg h LEU 85 Cb 1.86 -0.25 -0.11 0.00 0.37 0.00 0.00 40.66 42.53 2jmg h LEU 85 CO 0.13 1.57 0.61 0.22 -0.34 0.00 0.00 178.44 180.64 2jmg h TYR 86 N 0.14 1.07 0.00 1.25 3.20 -0.73 0.37 116.97 122.27 2jmg h TYR 86 Ca -0.18 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.63 2jmg h TYR 86 Cb 1.87 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 39.81 2jmg h TYR 86 CO 0.13 0.22 -0.44 0.00 -1.64 0.00 0.00 178.16 176.43 2jmg h VAL 88 N 0.00 1.27 0.00 0.00 2.07 -0.29 0.33 116.25 119.63 2jmg h VAL 88 Ca -0.00 -1.29 -0.15 0.00 0.82 0.00 0.00 66.70 66.07 2jmg h VAL 88 Cb 0.87 1.59 -0.03 0.00 -1.52 0.00 0.00 31.29 32.21 2jmg h VAL 88 CO 0.06 0.38 -1.53 1.41 0.02 0.00 0.00 177.57 177.91 2jmg n HIS 89 N -4.10 0.78 1.15 1.57 -0.00 -0.94 -3.95 115.22 109.73 2jmg n HIS 89 Ca -0.01 0.26 0.08 0.00 -0.00 0.00 0.00 57.72 58.04 2jmg n HIS 89 Cb 0.41 -1.00 0.28 0.00 -0.00 0.00 0.00 29.99 29.67 2jmg n HIS 89 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 2jmg n GLN 90 N -2.78 1.70 -3.07 -0.41 1.13 -0.58 -4.86 117.38 108.50 2jmg n GLN 90 Ca -0.10 -1.07 -0.13 0.00 -1.94 0.00 0.00 57.00 53.76 2jmg n GLN 90 Cb 0.81 -1.32 0.07 0.00 0.11 0.00 0.00 30.24 29.91 2jmg n GLN 90 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49 2jmg n ARG 91 N 0.32 -4.53 -4.91 -1.09 3.00 -0.96 -5.03 116.66 103.46 2jmg n ARG 91 Ca 0.14 0.67 -0.28 0.00 -0.00 0.00 0.00 57.85 58.38 2jmg n ARG 91 Cb 0.29 -5.10 -0.17 0.00 0.00 0.00 0.00 32.46 27.49 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 -3.29 1.58 -0.42 5.15 1.01 0.11 -5.05 121.20 120.30 2jmg s ILE 92 Ca 0.07 -0.77 -0.16 0.00 0.00 0.00 0.00 60.65 59.79 2jmg s ILE 92 Cb -0.01 -1.38 0.02 0.00 0.01 0.00 0.00 42.46 41.11 2jmg s ILE 92 CO 0.57 0.45 0.38 -0.62 0.00 0.00 0.00 174.94 175.73 2jmg s ASP 93 N 0.29 6.16 0.06 3.58 -1.08 -1.26 -4.33 116.67 120.09 2jmg s ASP 93 Ca -0.11 -0.81 -0.05 0.00 -0.52 0.00 0.00 52.55 51.06 2jmg s ASP 93 Cb -0.15 -2.20 -0.05 0.00 -1.46 0.00 0.00 42.92 39.07 2jmg s ASP 93 CO 0.05 -0.54 0.29 0.68 0.52 0.00 0.00 175.17 176.16 2jmg s VAL 94 N 1.94 5.28 -0.14 1.11 -7.23 -1.26 -5.00 120.40 115.09 2jmg s VAL 94 Ca 0.09 0.02 0.16 0.00 -1.81 0.00 0.00 61.98 60.44 2jmg s VAL 94 Cb -0.18 -3.60 -0.03 0.00 0.56 0.00 0.00 36.38 33.13 2jmg s VAL 94 CO 0.12 0.23 1.13 0.50 -0.31 0.00 0.00 175.10 176.77 2jmg h LYS 95 N 3.48 0.00 -2.17 4.82 3.64 -1.94 -3.43 116.57 120.97 2jmg h LYS 95 Ca -0.48 0.00 0.27 0.00 -1.27 0.00 0.00 60.65 59.17 2jmg h LYS 95 Cb 1.18 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.94 2jmg h LYS 95 CO 0.70 0.37 0.76 0.16 -2.27 0.00 0.00 179.45 179.17 2jmg s ASP 96 N -6.08 -0.01 0.14 4.20 1.47 -1.26 -3.81 116.67 111.31 2jmg s ASP 96 Ca 0.01 -0.37 -0.26 0.00 1.18 0.00 0.00 52.55 53.11 2jmg s ASP 96 Cb 0.08 0.29 -0.01 0.00 -0.34 0.00 0.00 42.92 42.94 2jmg s ASP 96 CO 0.78 -0.57 1.60 0.74 0.68 0.00 0.00 175.17 178.40 2jmg h THR 97 N 2.00 0.24 -0.07 2.11 2.02 -1.48 -1.66 112.91 116.07 2jmg h THR 97 Ca -0.25 0.00 0.04 0.00 0.77 0.00 0.00 66.41 66.96 2jmg h THR 97 Cb 1.20 0.24 -0.04 0.00 -1.74 0.00 0.00 68.15 67.81 2jmg h THR 97 CO 0.32 0.00 -0.19 0.50 0.37 0.00 0.00 175.52 176.52 2jmg h LYS 98 N -0.38 -0.26 -0.89 6.66 3.64 -1.89 -1.83 116.57 121.61 2jmg h LYS 98 Ca 0.11 0.02 0.24 0.00 -1.27 0.00 0.00 60.65 59.75 2jmg h LYS 98 Cb 0.56 0.06 -0.13 0.00 -0.41 0.00 0.00 32.23 32.30 2jmg h LYS 98 CO -0.41 -0.17 0.33 0.93 -2.27 0.00 0.00 179.45 177.85 2jmg h GLU 99 N -0.27 0.28 0.19 1.90 4.39 -1.80 -0.10 114.58 119.17 2jmg h GLU 99 Ca 0.08 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.76 2jmg h GLU 99 Cb 0.38 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 2jmg h GLU 99 CO -0.22 0.19 -0.17 0.00 -1.16 0.00 0.00 179.01 177.64 2jmg h ALA 100 N 1.75 -0.35 0.06 3.43 0.00 -0.47 -1.07 119.26 122.61 2jmg h ALA 100 Ca 0.57 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.45 2jmg h ALA 100 Cb 1.14 0.24 -0.05 0.00 0.00 0.00 0.00 17.79 19.11 2jmg h ALA 100 CO -0.60 -0.72 -0.45 -0.07 0.00 0.00 0.00 179.25 177.41 2jmg h LEU 101 N -0.38 -1.35 -1.25 0.00 3.38 -0.74 0.32 115.31 115.29 2jmg h LEU 101 Ca -0.00 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2jmg h LEU 101 Cb 0.35 0.51 0.00 0.00 0.09 0.00 0.00 40.66 41.62 2jmg h LEU 101 CO -0.03 -0.49 0.00 0.47 0.09 0.00 0.00 178.44 178.48 2jmg n ASP 102 N -5.46 0.49 -0.07 -0.43 8.00 -0.78 -1.72 116.55 116.57 2jmg n ASP 102 Ca -0.07 0.73 -0.10 0.00 0.71 0.00 0.00 54.79 56.06 2jmg n ASP 102 Cb 0.38 -0.79 -0.06 0.00 -0.02 0.00 0.00 41.12 40.63 2jmg n ASP 102 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 2jmg h LYS 103 N 0.00 0.00 -0.34 -1.24 6.56 0.84 -3.34 116.57 119.06 2jmg h LYS 103 Ca 0.00 0.00 0.02 0.00 -1.06 0.00 0.00 60.65 59.61 2jmg h LYS 103 Cb 0.00 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 31.65 2jmg h LYS 103 CO 0.00 0.49 0.23 0.82 -2.06 0.00 0.00 179.45 178.92 2jmg h ILE 104 N -1.00 1.03 -0.13 1.86 2.04 -0.40 -1.01 117.51 119.90 2jmg h ILE 104 Ca -0.09 -0.13 0.01 0.00 1.00 0.00 0.00 64.86 65.65 2jmg h ILE 104 Cb 0.71 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 2jmg h ILE 104 CO -0.06 0.07 0.09 -0.33 0.00 0.00 0.00 178.15 177.92 2jmg h GLU 105 N 0.37 0.12 0.00 2.37 4.39 -1.49 -1.06 114.58 119.29 2jmg h GLU 105 Ca 0.13 -0.01 -0.18 0.00 0.34 0.00 0.00 59.36 59.65 2jmg h GLU 105 Cb 0.08 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.68 2jmg h GLU 105 CO -0.03 0.08 -0.83 0.93 -1.16 0.00 0.00 179.01 178.00 2jmg h GLU 106 N 0.13 0.07 -0.04 2.33 4.39 -1.30 -3.17 114.58 116.99 2jmg h GLU 106 Ca 0.05 -0.08 -0.13 0.00 0.34 0.00 0.00 59.36 59.55 2jmg h GLU 106 Cb 0.06 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.72 2jmg h GLU 106 CO -0.01 0.86 -0.57 1.49 -1.16 0.00 0.00 179.01 179.62 2jmg h GLU 107 N 0.04 0.14 -0.11 2.33 4.57 -1.12 -3.01 114.58 117.42 2jmg h GLU 107 Ca -0.02 -0.09 -0.11 0.00 -1.18 0.00 0.00 59.36 57.96 2jmg h GLU 107 Cb 1.46 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 30.04 2jmg h GLU 107 CO 0.12 0.67 -0.44 1.96 -1.18 0.00 0.00 179.01 180.13 2jmg h GLN 108 N 0.10 0.25 -0.10 1.92 1.08 -1.38 -2.78 115.11 114.20 2jmg h GLN 108 Ca -0.00 -0.13 0.03 0.00 -1.45 0.00 0.00 58.65 57.10 2jmg h GLN 108 Cb 1.03 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.46 2jmg h GLN 108 CO 0.08 0.65 0.10 -0.97 -0.95 0.00 0.00 178.83 177.74 2jmg h ASN 109 N 0.21 0.00 0.14 1.46 -1.24 -1.50 0.17 115.58 114.82 2jmg h ASN 109 Ca 0.02 0.00 -0.08 0.00 0.71 0.00 0.00 56.30 56.95 2jmg h ASN 109 Cb 0.87 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.91 2jmg h ASN 109 CO 0.07 0.00 -0.28 0.11 -1.29 0.00 0.00 177.43 176.04 2jmg h LYS 110 N 0.00 0.23 0.02 6.67 1.57 -1.59 -2.85 116.57 120.61 2jmg h LYS 110 Ca 0.05 -0.08 -0.31 0.00 -1.87 0.00 0.00 60.65 58.44 2jmg h LYS 110 Cb 0.25 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.49 2jmg h LYS 110 CO -0.00 0.49 -1.82 0.43 -0.57 0.00 0.00 179.45 177.98 2jmg n SER 111 N -4.14 1.00 -0.31 0.86 7.64 -0.13 -4.13 113.62 114.40 2jmg n SER 111 Ca -0.01 0.34 0.04 0.00 1.01 0.00 0.00 58.87 60.25 2jmg n SER 111 Cb 0.38 -0.10 0.23 0.00 -1.01 0.00 0.00 64.21 63.71 2jmg n SER 111 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2jmg h LYS 112 N 0.01 1.03 0.00 1.43 3.64 -0.96 0.62 116.57 122.34 2jmg h LYS 112 Ca -0.33 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 58.98 2jmg h LYS 112 Cb 2.04 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 33.62 2jmg h LYS 112 CO 0.07 0.68 -0.02 -0.22 -2.27 0.00 0.00 179.45 177.69 2jmg h LYS 113 N 1.06 0.00 0.14 1.90 3.64 -1.66 -0.88 116.57 120.76 2jmg h LYS 113 Ca 0.40 0.00 -0.34 0.00 -1.27 0.00 0.00 60.65 59.44 2jmg h LYS 113 Cb 0.19 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 2jmg h LYS 113 CO -0.15 0.02 -1.76 -0.22 -2.27 0.00 0.00 179.45 175.07 2jmg h LYS 114 N 0.00 0.29 0.00 1.90 3.64 -1.25 -3.34 116.57 117.81 2jmg h LYS 114 Ca -0.00 -0.49 -0.03 0.00 -1.27 0.00 0.00 60.65 58.86 2jmg h LYS 114 Cb 0.04 0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.04 2jmg h LYS 114 CO 0.00 1.17 -0.15 0.00 -2.27 0.00 0.00 179.45 178.20 2jmg h ALA 115 N 0.28 1.31 -0.41 5.00 0.00 -0.47 -2.69 119.26 122.28 2jmg h ALA 115 Ca -0.34 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.31 2jmg h ALA 115 Cb 2.05 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.81 2jmg h ALA 115 CO 0.14 0.19 -0.25 0.37 0.00 0.00 0.00 179.25 179.70 2jmg h GLN 116 N 0.00 0.89 -0.38 0.00 4.15 -1.29 -0.89 115.11 117.58 2jmg h GLN 116 Ca -0.00 -0.41 0.10 0.00 0.77 0.00 0.00 58.65 59.11 2jmg h GLN 116 Cb 0.39 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.05 2jmg h GLN 116 CO 0.02 1.06 0.27 0.37 -1.93 0.00 0.00 178.83 178.63 2jmg h GLN 117 N 0.71 0.05 0.11 1.69 4.15 -1.60 -1.79 115.11 118.44 2jmg h GLN 117 Ca 0.08 -0.00 -0.34 0.00 0.77 0.00 0.00 58.65 59.16 2jmg h GLN 117 Cb 0.83 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.49 2jmg h GLN 117 CO 0.07 0.04 -1.81 0.00 -1.93 0.00 0.00 178.83 175.20 2jmg h ALA 118 N 1.81 0.42 -0.73 3.38 0.00 -1.56 -3.35 119.26 119.23 2jmg h ALA 118 Ca 0.18 -1.31 0.14 0.00 0.00 0.00 0.00 54.91 53.92 2jmg h ALA 118 Cb 0.65 0.54 -0.05 0.00 0.00 0.00 0.00 17.79 18.93 2jmg h ALA 118 CO -0.01 1.28 0.49 0.00 0.00 0.00 0.00 179.25 181.01 2jmg h ALA 119 N 0.34 2.11 -0.37 0.00 0.00 -0.32 0.90 119.26 121.93 2jmg h ALA 119 Ca -0.35 -0.00 0.11 0.00 0.00 0.00 0.00 54.91 54.67 2jmg h ALA 119 Cb 2.04 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.75 2jmg h ALA 119 CO 0.12 -0.30 0.35 0.00 0.00 0.00 0.00 179.25 179.41 2jmg h ALA 120 N 1.65 2.12 0.00 0.00 0.00 -1.57 -2.87 119.26 118.60 2jmg h ALA 120 Ca 0.35 -0.01 -0.43 0.00 0.00 0.00 0.00 54.91 54.82 2jmg h ALA 120 Cb 0.81 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.56 2jmg h ALA 120 CO -0.11 -0.54 -2.36 -3.47 0.00 0.00 0.00 179.25 172.77 2jmg n ASP 121 N -3.93 1.94 -4.65 0.00 2.03 0.21 -4.94 116.55 107.23 2jmg n ASP 121 Ca 0.06 0.35 -0.35 0.00 0.52 0.00 0.00 54.79 55.37 2jmg n ASP 121 Cb 0.52 -0.84 -0.10 0.00 -0.72 0.00 0.00 41.12 39.98 2jmg n ASP 121 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2jmg s THR 122 N -2.49 4.99 0.18 5.18 2.01 -0.60 -5.09 115.64 119.81 2jmg s THR 122 Ca -0.37 0.04 0.03 0.00 0.31 0.00 0.00 61.69 61.70 2jmg s THR 122 Cb 0.14 -3.28 -0.05 0.00 0.01 0.00 0.00 72.50 69.32 2jmg s THR 122 CO 0.50 0.43 -0.03 -0.83 -0.69 0.00 0.00 174.62 174.00 2jmg s GLY 123 N 0.58 1.26 0.46 4.40 0.00 -1.26 -4.22 107.32 108.54 2jmg s GLY 123 Ca 0.05 -1.60 0.04 0.00 0.00 0.00 0.00 44.72 43.21 2jmg s GLY 123 CO 0.01 -1.59 0.65 0.21 0.00 0.00 0.00 173.10 172.39 2jmg s ASN 124 N -3.21 5.58 0.48 1.64 2.47 -1.26 -5.13 114.94 115.51 2jmg s ASN 124 Ca 0.23 -0.12 0.00 0.00 0.42 0.00 0.00 52.86 53.39 2jmg s ASN 124 Cb 0.05 -0.96 -0.00 0.00 -1.45 0.00 0.00 41.25 38.89 2jmg s ASN 124 CO 0.04 -0.85 0.01 0.59 -3.72 0.00 0.00 177.10 173.17 2jmg n ASN 125 N -2.05 3.15 -4.94 -4.21 4.13 -1.26 -5.15 115.26 104.93 2jmg n ASN 125 Ca 0.06 -3.13 -0.24 0.00 1.68 0.00 0.00 54.58 52.95 2jmg n ASN 125 Cb 0.59 0.40 0.01 0.00 -1.54 0.00 0.00 39.78 39.24 2jmg n ASN 125 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 2jmg s SER 126 N -3.65 5.94 0.11 6.41 0.15 -1.26 -5.11 113.70 116.29 2jmg s SER 126 Ca 0.02 0.43 0.09 0.00 0.70 0.00 0.00 55.95 57.18 2jmg s SER 126 Cb 0.00 -1.72 -0.04 0.00 -1.71 0.00 0.00 66.02 62.56 2jmg s SER 126 CO 0.01 -0.65 -0.22 -1.10 1.20 0.00 0.00 173.24 172.48 2jmg s GLN 127 N -4.58 1.18 -0.29 5.44 -0.21 -1.26 -5.14 119.66 114.80 2jmg s GLN 127 Ca 0.47 -1.20 -0.22 0.00 0.02 0.00 0.00 55.36 54.43 2jmg s GLN 127 Cb -0.10 -1.48 0.17 0.00 1.00 0.00 0.00 33.01 32.60 2jmg s GLN 127 CO 0.39 0.35 1.24 0.54 -2.12 0.00 0.00 175.29 175.69 2jmg s VAL 128 N -1.16 0.00 0.30 1.09 0.11 -1.26 -5.19 120.40 114.29 2jmg s VAL 128 Ca 0.08 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.15 2jmg s VAL 128 Cb -0.10 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.74 2jmg s VAL 128 CO 0.05 0.00 0.07 -1.20 -3.33 0.00 0.00 175.10 170.69 2jmg n SER 129 N 2.31 1.64 -3.73 3.54 7.64 -1.26 -5.18 113.62 118.58 2jmg n SER 129 Ca -0.13 -2.49 -0.11 0.00 1.01 0.00 0.00 58.87 57.14 2jmg n SER 129 Cb 0.57 0.58 -0.07 0.00 -1.01 0.00 0.00 64.21 64.28 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 -3.11 0.87 -0.33 1.43 0.00 -1.26 -5.13 119.66 112.12 2jmg s GLN 130 Ca 0.10 -0.54 -0.00 0.00 -0.00 0.00 0.00 55.36 54.92 2jmg s GLN 130 Cb 0.00 0.38 0.13 0.00 0.00 0.00 0.00 33.01 33.53 2jmg s GLN 130 CO 0.07 -0.29 0.24 -0.80 0.00 0.00 0.00 175.29 174.51 2jmg s ASN 131 N -2.22 2.50 0.00 12.60 -0.87 -1.26 -5.39 114.94 120.30 2jmg s ASN 131 Ca -0.03 -1.59 0.00 0.00 -1.57 0.00 0.00 52.86 49.67 2jmg s ASN 131 Cb 0.00 -0.03 0.00 0.00 -0.02 0.00 0.00 41.25 41.20 2jmg s ASN 131 CO -0.05 -0.34 0.00 -1.22 -2.57 0.00 0.00 177.10 172.92