#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 0.18 -0.14 4.61 0.00 -1.26 -5.04 120.51 118.86 2jmg n ALA 3 Ca 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.93 2jmg n ALA 3 Cb 0.00 0.11 0.00 0.00 0.00 0.00 0.00 19.45 19.56 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 -1.39 0.00 -3.66 0.00 5.12 -1.26 -4.89 116.66 110.58 2jmg n ARG 4 Ca 0.04 0.63 -0.14 0.00 -1.93 0.00 0.00 57.85 56.45 2jmg n ARG 4 Cb 0.15 -1.43 -0.07 0.00 -1.16 0.00 0.00 32.46 29.95 2jmg n ARG 4 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2jmg s ALA 5 N -3.25 -1.08 0.25 7.54 0.00 -1.26 -5.14 121.76 118.82 2jmg s ALA 5 Ca 0.00 0.46 0.00 0.00 0.00 0.00 0.00 51.96 52.42 2jmg s ALA 5 Cb 0.00 0.24 0.00 0.00 0.00 0.00 0.00 23.12 23.36 2jmg s ALA 5 CO 0.00 -0.40 0.00 0.45 0.00 0.00 0.00 175.76 175.81 2jmg n SER 6 N 0.72 -7.32 0.00 0.00 2.88 -1.26 -4.91 113.62 103.73 2jmg n SER 6 Ca -0.19 1.16 0.00 0.00 -1.33 0.00 0.00 58.87 58.51 2jmg n SER 6 Cb 0.59 -3.31 0.00 0.00 -0.75 0.00 0.00 64.21 60.74 2jmg n SER 6 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 2jmg n ARG 7 N -3.51 0.00 -0.77 -1.46 3.00 -1.26 -4.83 116.66 107.83 2jmg n ARG 7 Ca 0.01 0.00 -0.13 0.00 -0.00 0.00 0.00 57.85 57.73 2jmg n ARG 7 Cb 0.49 -0.55 0.09 0.00 0.00 0.00 0.00 32.46 32.49 2jmg n ARG 7 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 2jmg n LEU 8 N -1.95 0.00 0.00 6.15 4.77 -1.26 -5.11 117.00 119.60 2jmg n LEU 8 Ca 0.00 -0.61 -0.05 0.00 -0.03 0.00 0.00 56.01 55.32 2jmg n LEU 8 Cb 0.14 -0.43 0.01 0.00 -2.33 0.00 0.00 43.42 40.81 2jmg n LEU 8 CO 0.00 -0.98 0.22 -0.24 -1.33 0.00 0.00 177.39 175.07 2jmg n SER 9 N -3.42 -1.04 -0.29 -1.43 2.88 -1.26 -5.01 113.62 104.04 2jmg n SER 9 Ca 0.07 -1.85 0.11 0.00 -1.33 0.00 0.00 58.87 55.88 2jmg n SER 9 Cb 0.25 1.77 0.27 0.00 -0.75 0.00 0.00 64.21 65.76 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 1.00 1.37 0.69 0.46 0.00 -1.99 0.30 103.07 104.90 2jmg h GLY 10 Ca -0.16 -0.10 -0.02 0.00 0.00 0.00 0.00 47.33 47.05 2jmg h GLY 10 CO 0.21 -0.28 -0.44 -1.33 0.00 0.00 0.00 176.54 174.70 2jmg h GLY 11 N 0.32 -1.14 2.00 4.60 0.00 -2.01 -1.67 103.07 105.17 2jmg h GLY 11 Ca 0.53 0.50 -0.02 0.00 0.00 0.00 0.00 47.33 48.34 2jmg h GLY 11 CO -0.56 -0.38 -0.09 0.83 0.00 0.00 0.00 176.54 176.34 2jmg h GLU 12 N -1.00 0.00 -0.25 4.80 3.07 -1.77 -2.80 114.58 116.63 2jmg h GLU 12 Ca -0.07 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.75 2jmg h GLU 12 Cb 0.84 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.74 2jmg h GLU 12 CO 0.01 0.09 0.02 -0.07 -1.40 0.00 0.00 179.01 177.66 2jmg h LEU 13 N 0.00 0.42 -0.85 1.33 -0.00 0.18 -0.87 115.31 115.52 2jmg h LEU 13 Ca -0.00 -0.29 0.21 0.00 -0.00 0.00 0.00 57.88 57.79 2jmg h LEU 13 Cb 0.35 -0.11 -0.12 0.00 -0.00 0.00 0.00 40.66 40.77 2jmg h LEU 13 CO 0.01 0.61 0.31 0.44 -0.00 0.00 0.00 178.44 179.80 2jmg h ASP 14 N 0.22 0.18 -0.00 -0.43 5.19 -1.04 0.20 116.42 120.74 2jmg h ASP 14 Ca 0.07 0.16 -0.11 0.00 -0.62 0.00 0.00 57.03 56.53 2jmg h ASP 14 Cb 0.38 0.18 0.01 0.00 0.18 0.00 0.00 39.33 40.08 2jmg h ASP 14 CO 0.01 -0.04 -0.45 0.50 -3.12 0.00 0.00 179.24 176.14 2jmg h LYS 15 N 0.33 0.30 -0.92 3.56 3.64 -1.63 -2.43 116.57 119.43 2jmg h LYS 15 Ca 0.52 -0.33 0.16 0.00 -1.27 0.00 0.00 60.65 59.73 2jmg h LYS 15 Cb 0.98 0.09 -0.08 0.00 -0.41 0.00 0.00 32.23 32.82 2jmg h LYS 15 CO -0.55 1.02 0.59 2.35 -2.27 0.00 0.00 179.45 180.59 2jmg h TRP 16 N -0.29 0.84 -0.00 1.91 2.91 0.10 0.40 115.95 121.82 2jmg h TRP 16 Ca -0.06 0.02 0.00 0.00 1.13 0.00 0.00 58.89 59.99 2jmg h TRP 16 Cb 1.18 -0.26 0.00 0.00 -0.51 0.00 0.00 29.16 29.57 2jmg h TRP 16 CO 0.16 0.28 -0.29 0.39 -1.03 0.00 0.00 178.44 177.96 2jmg n GLU 17 N -4.58 0.39 0.19 2.65 1.02 0.59 -3.65 120.64 117.24 2jmg n GLU 17 Ca 0.19 -0.19 0.08 0.00 -0.02 0.00 0.00 57.16 57.21 2jmg n GLU 17 Cb 0.51 -1.50 0.16 0.00 -0.02 0.00 0.00 31.44 30.59 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 0.47 0.00 -6.40 3.49 3.64 0.32 -3.41 116.57 114.68 2jmg h LYS 18 Ca 0.00 0.00 -0.54 0.00 -1.27 0.00 0.00 60.65 58.84 2jmg h LYS 18 Cb 0.47 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.27 2jmg h LYS 18 CO 0.00 0.25 0.32 0.42 -2.27 0.00 0.00 179.45 178.16 2jmg s ILE 19 N -3.17 4.78 0.19 2.00 1.09 -1.09 -5.01 121.20 119.98 2jmg s ILE 19 Ca 0.05 1.96 -0.13 0.00 -1.10 0.00 0.00 60.65 61.43 2jmg s ILE 19 Cb 0.07 -4.27 -0.07 0.00 -1.06 0.00 0.00 42.46 37.13 2jmg s ILE 19 CO 0.69 0.23 0.56 -0.13 -0.10 0.00 0.00 174.94 176.20 2jmg s ARG 20 N 0.61 3.91 0.03 2.79 0.52 -1.26 -2.44 118.95 123.12 2jmg s ARG 20 Ca 0.48 0.42 -0.18 0.00 -0.52 0.00 0.00 55.73 55.92 2jmg s ARG 20 Cb -0.21 -2.79 -0.19 0.00 0.52 0.00 0.00 34.95 32.28 2jmg s ARG 20 CO 0.27 0.40 1.20 -0.07 0.02 0.00 0.00 175.30 177.12 2jmg h LEU 21 N 3.08 0.59 -9.86 2.53 3.38 -0.95 -2.13 115.31 111.96 2jmg h LEU 21 Ca -0.48 -0.67 -0.51 0.00 0.09 0.00 0.00 57.88 56.31 2jmg h LEU 21 Cb 1.18 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.70 2jmg h LEU 21 CO 0.67 1.16 -0.54 -0.13 0.09 0.00 0.00 178.44 179.69 2jmg s ARG 22 N -3.58 2.83 0.01 1.13 0.52 -1.26 -3.67 118.95 114.93 2jmg s ARG 22 Ca -0.13 -1.11 -0.23 0.00 -0.52 0.00 0.00 55.73 53.74 2jmg s ARG 22 Cb 0.05 -2.50 -0.17 0.00 0.52 0.00 0.00 34.95 32.85 2jmg s ARG 22 CO 0.82 0.39 1.31 -1.00 0.02 0.00 0.00 175.30 176.84 2jmg h PRO 23 N 1.54 0.21 -0.45 3.54 0.13 -1.90 -3.31 132.00 131.77 2jmg h PRO 23 Ca -0.48 -0.11 -0.26 0.00 -0.87 0.00 0.00 66.00 64.28 2jmg h PRO 23 Cb 1.24 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.22 2jmg h PRO 23 CO 0.61 0.63 -0.09 0.41 -0.23 0.00 0.00 178.00 179.33 2jmg n GLY 24 N 0.21 5.13 0.00 1.56 0.00 -1.26 -4.95 105.19 105.87 2jmg n GLY 24 Ca -0.07 -1.45 0.00 0.00 0.00 0.00 0.00 46.02 44.50 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 -1.07 3.69 0.00 -0.02 0.00 -1.25 -5.06 105.19 101.48 2jmg n GLY 25 Ca 0.37 -2.15 0.00 0.00 0.00 0.00 0.00 46.02 44.24 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 -0.33 0.05 -2.64 1.61 5.02 -1.26 -4.90 118.16 115.71 2jmg n LYS 26 Ca 0.00 -0.60 -0.33 0.00 -2.02 0.00 0.00 58.31 55.36 2jmg n LYS 26 Cb 0.00 -0.87 -0.05 0.00 -0.02 0.00 0.00 35.03 34.09 2jmg n LYS 26 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2jmg s LYS 27 N -0.20 4.06 0.17 1.97 2.20 -1.26 -4.97 119.74 121.72 2jmg s LYS 27 Ca 0.00 1.12 0.03 0.00 -0.36 0.00 0.00 55.97 56.76 2jmg s LYS 27 Cb 0.00 -2.15 -0.01 0.00 -1.51 0.00 0.00 37.83 34.16 2jmg s LYS 27 CO 0.00 -0.18 0.12 1.04 -0.36 0.00 0.00 175.35 175.96 2jmg n GLN 28 N -0.98 0.37 -3.46 4.03 6.02 -1.26 -0.35 117.38 121.75 2jmg n GLN 28 Ca 0.07 -1.63 -0.32 0.00 -0.01 0.00 0.00 57.00 55.12 2jmg n GLN 28 Cb 0.54 1.19 -0.05 0.00 1.02 0.00 0.00 30.24 32.94 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 -2.54 3.44 0.23 1.08 1.51 -1.02 -4.62 117.35 115.43 2jmg s TYR 29 Ca 0.16 0.80 -0.01 0.00 -1.01 0.00 0.00 57.07 57.01 2jmg s TYR 29 Cb 0.01 -2.20 -0.03 0.00 -0.11 0.00 0.00 41.96 39.62 2jmg s TYR 29 CO 0.12 0.30 0.20 0.15 -1.11 0.00 0.00 175.55 175.20 2jmg s LYS 30 N -2.82 1.35 0.47 -0.62 1.02 -1.26 -4.20 119.74 113.67 2jmg s LYS 30 Ca 0.46 -1.65 0.27 0.00 0.02 0.00 0.00 55.97 55.06 2jmg s LYS 30 Cb -0.11 0.31 1.32 0.00 -0.52 0.00 0.00 37.83 38.82 2jmg s LYS 30 CO 0.22 -0.47 1.80 -0.07 -0.92 0.00 0.00 175.35 175.91 2jmg h LEU 31 N 2.49 0.22 -0.98 3.17 4.07 -1.99 0.62 115.31 122.92 2jmg h LEU 31 Ca -0.33 0.04 0.28 0.00 0.08 0.00 0.00 57.88 57.95 2jmg h LEU 31 Cb 1.25 0.01 -0.14 0.00 1.08 0.00 0.00 40.66 42.85 2jmg h LEU 31 CO 0.48 0.04 0.53 0.50 -1.08 0.00 0.00 178.44 178.92 2jmg h LYS 32 N 0.20 0.40 -0.01 1.13 3.11 -2.00 -0.07 116.57 119.33 2jmg h LYS 32 Ca 0.56 -0.02 -0.11 0.00 -2.81 0.00 0.00 60.65 58.26 2jmg h LYS 32 Cb 1.80 -0.09 0.01 0.00 -1.00 0.00 0.00 32.23 32.94 2jmg h LYS 32 CO -0.15 0.26 -0.43 0.45 -2.81 0.00 0.00 179.45 176.78 2jmg h HIS 33 N 0.41 0.45 -0.81 1.91 -0.00 -1.28 -2.29 115.15 113.54 2jmg h HIS 33 Ca 0.67 -0.24 0.22 0.00 -0.00 0.00 0.00 60.37 61.02 2jmg h HIS 33 Cb 1.41 -0.05 -0.04 0.00 -0.00 0.00 0.00 27.41 28.73 2jmg h HIS 33 CO -0.04 1.04 0.57 0.82 -0.00 0.00 0.00 177.93 180.32 2jmg h ILE 34 N -0.27 0.63 0.02 2.45 2.04 -1.06 0.23 117.51 121.54 2jmg h ILE 34 Ca -0.05 -0.03 -0.05 0.00 1.00 0.00 0.00 64.86 65.72 2jmg h ILE 34 Cb 1.15 0.52 -0.00 0.00 -0.74 0.00 0.00 36.82 37.75 2jmg h ILE 34 CO 0.08 0.02 -0.26 0.58 0.00 0.00 0.00 178.15 178.57 2jmg h VAL 35 N 0.10 1.66 -0.59 1.67 2.07 -1.31 -2.62 116.25 117.23 2jmg h VAL 35 Ca 0.39 -2.36 0.03 0.00 0.82 0.00 0.00 66.70 65.59 2jmg h VAL 35 Cb 1.41 3.24 -0.04 0.00 -1.52 0.00 0.00 31.29 34.38 2jmg h VAL 35 CO -0.05 0.59 0.35 -0.25 0.02 0.00 0.00 177.57 178.24 2jmg h TRP 36 N -0.91 0.65 0.44 1.57 7.01 -0.72 -0.81 115.95 123.19 2jmg h TRP 36 Ca -0.06 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 60.94 2jmg h TRP 36 Cb 1.12 -0.21 0.00 0.00 -2.10 0.00 0.00 29.16 27.98 2jmg h TRP 36 CO 0.25 0.36 -0.21 0.00 -2.79 0.00 0.00 178.44 176.05 2jmg h ALA 37 N 1.27 -0.59 -0.82 2.65 0.00 -0.73 0.36 119.26 121.40 2jmg h ALA 37 Ca 0.24 -0.19 0.22 0.00 0.00 0.00 0.00 54.91 55.19 2jmg h ALA 37 Cb 0.05 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 2jmg h ALA 37 CO -0.11 -0.68 0.58 1.03 0.00 0.00 0.00 179.25 180.07 2jmg h SER 38 N -0.89 0.10 0.09 0.00 0.87 -1.36 -0.86 113.55 111.51 2jmg h SER 38 Ca -0.06 0.01 -0.20 0.00 -1.23 0.00 0.00 61.79 60.32 2jmg h SER 38 Cb 0.57 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.52 2jmg h SER 38 CO 0.10 0.04 -0.96 -0.09 -0.53 0.00 0.00 176.83 175.39 2jmg h ARG 39 N 0.10 0.20 -0.28 2.24 2.43 -0.99 -3.32 114.38 114.76 2jmg h ARG 39 Ca 0.40 -0.34 0.06 0.00 -0.81 0.00 0.00 59.98 59.29 2jmg h ARG 39 Cb 1.44 0.13 -0.07 0.00 -0.42 0.00 0.00 29.97 31.05 2jmg h ARG 39 CO -0.05 1.16 -0.16 1.49 -1.51 0.00 0.00 179.97 180.91 2jmg h GLU 40 N -0.51 -0.12 -1.00 0.20 4.57 0.93 -0.71 114.58 117.94 2jmg h GLU 40 Ca -0.20 0.01 0.21 0.00 -1.18 0.00 0.00 59.36 58.20 2jmg h GLU 40 Cb 1.55 0.03 -0.10 0.00 -0.16 0.00 0.00 28.75 30.07 2jmg h GLU 40 CO 0.05 -0.08 0.62 -0.07 -1.18 0.00 0.00 179.01 178.35 2jmg h LEU 41 N -0.13 0.68 -2.06 1.64 3.38 -1.37 0.46 115.31 117.92 2jmg h LEU 41 Ca 0.15 0.10 0.07 0.00 0.09 0.00 0.00 57.88 58.28 2jmg h LEU 41 Cb 0.35 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 2jmg h LEU 41 CO -0.36 0.21 0.17 -0.08 0.09 0.00 0.00 178.44 178.47 2jmg h GLU 42 N 0.65 0.00 0.00 1.13 4.81 -0.88 0.10 114.58 120.39 2jmg h GLU 42 Ca 0.58 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.80 2jmg h GLU 42 Cb 1.07 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.44 2jmg h GLU 42 CO -0.36 0.00 -1.06 -2.13 -0.73 0.00 0.00 179.01 174.73 2jmg n ARG 43 N -4.33 0.61 -0.84 1.92 0.63 0.15 -3.96 116.66 110.84 2jmg n ARG 43 Ca 0.02 0.12 -0.17 0.00 -0.92 0.00 0.00 57.85 56.90 2jmg n ARG 43 Cb 0.32 -1.82 0.11 0.00 0.45 0.00 0.00 32.46 31.52 2jmg n ARG 43 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 2jmg n PHE 44 N -2.67 2.04 -1.69 -0.14 3.72 0.04 -4.84 117.46 113.92 2jmg n PHE 44 Ca -0.01 -1.51 -0.13 0.00 -0.05 0.00 0.00 57.45 55.76 2jmg n PHE 44 Cb 0.56 -0.76 -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 -0.53 -0.37 -3.78 4.37 0.00 -1.16 -4.92 120.51 114.13 2jmg n ALA 45 Ca 0.40 0.18 -0.33 0.00 0.00 0.00 0.00 53.44 53.69 2jmg n ALA 45 Cb 1.19 -1.43 -0.16 0.00 0.00 0.00 0.00 19.45 19.05 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 -2.26 2.25 0.28 0.00 1.01 0.13 -5.04 120.40 116.77 2jmg s VAL 46 Ca 0.00 -0.90 -0.29 0.00 0.00 0.00 0.00 61.98 60.79 2jmg s VAL 46 Cb 0.00 -1.93 -0.10 0.00 0.00 0.00 0.00 36.38 34.35 2jmg s VAL 46 CO 0.00 0.53 1.34 0.20 0.00 0.00 0.00 175.10 177.18 2jmg s ASN 47 N 1.03 6.77 0.00 3.32 0.01 -1.26 -2.63 114.94 122.18 2jmg s ASN 47 Ca -0.02 2.61 0.15 0.00 -0.71 0.00 0.00 52.86 54.89 2jmg s ASN 47 Cb -0.14 -2.63 0.79 0.00 0.41 0.00 0.00 41.25 39.67 2jmg s ASN 47 CO -0.06 -0.58 1.39 -0.81 -1.51 0.00 0.00 177.10 175.54 2jmg n PRO 48 N 1.69 0.27 0.00 -0.60 -0.04 -1.26 -2.92 135.00 132.14 2jmg n PRO 48 Ca 0.03 0.11 0.02 0.00 -0.04 0.00 0.00 63.50 63.63 2jmg n PRO 48 Cb 0.42 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.51 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 0.04 0.55 0.00 -1.26 -2.86 105.19 100.75 2jmg n GLY 49 Ca 0.08 -0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.58 0.63 -0.00 0.99 4.77 -1.15 -3.81 117.00 117.85 2jmg n LEU 50 Ca 0.03 0.04 0.15 0.00 -0.03 0.00 0.00 56.01 56.20 2jmg n LEU 50 Cb 0.02 -0.13 0.72 0.00 -2.33 0.00 0.00 43.42 41.69 2jmg n LEU 50 CO 0.02 0.03 1.00 0.18 -1.33 0.00 0.00 177.39 177.29 2jmg n LEU 51 N -1.95 0.02 -2.59 2.23 4.77 -1.14 -2.83 117.00 115.51 2jmg n LEU 51 Ca 0.03 0.32 -0.37 0.00 -0.03 0.00 0.00 56.01 55.96 2jmg n LEU 51 Cb 0.42 -0.33 0.06 0.00 -2.33 0.00 0.00 43.42 41.24 2jmg n LEU 51 CO 0.39 0.00 1.40 -1.84 -1.33 0.00 0.00 177.39 176.01 2jmg n GLU 52 N -1.33 2.79 -3.41 3.23 0.28 -1.25 -4.87 120.64 116.09 2jmg n GLU 52 Ca 0.13 -3.48 0.02 0.00 -0.16 0.00 0.00 57.16 53.66 2jmg n GLU 52 Cb 0.27 -2.28 -0.05 0.00 1.43 0.00 0.00 31.44 30.81 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 -4.96 -0.12 0.35 3.84 -1.32 -1.24 -4.98 115.64 107.20 2jmg s THR 53 Ca 0.58 0.00 0.10 0.00 -1.21 0.00 0.00 61.69 61.15 2jmg s THR 53 Cb 0.47 -1.00 0.33 0.00 -1.51 0.00 0.00 72.50 70.79 2jmg s THR 53 CO -0.20 0.00 1.84 0.77 -2.21 0.00 0.00 174.62 174.81 2jmg h SER 54 N 6.49 0.66 0.95 8.08 4.64 -1.88 0.21 113.55 132.69 2jmg h SER 54 Ca -0.19 0.06 -0.14 0.00 -0.47 0.00 0.00 61.79 61.05 2jmg h SER 54 Cb 1.14 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 63.14 2jmg h SER 54 CO 0.13 0.29 -0.65 -0.33 -0.87 0.00 0.00 176.83 175.40 2jmg h GLU 55 N 0.67 0.00 -0.33 4.77 5.08 -1.95 -3.24 114.58 119.57 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 0.87 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 2jmg h GLU 55 CO -0.25 0.65 -0.11 0.78 -1.00 0.00 0.00 179.01 179.08 2jmg h GLY 56 N 2.54 0.72 0.71 -3.84 0.00 -0.80 -2.59 103.07 99.81 2jmg h GLY 56 Ca -0.01 -0.61 -0.03 0.00 0.00 0.00 0.00 47.33 46.68 2jmg h GLY 56 CO 0.08 0.56 -0.38 0.00 0.00 0.00 0.00 176.54 176.80 2jmg h ARG 58 N -1.01 0.42 -0.40 0.00 2.43 -1.64 0.10 114.38 114.27 2jmg h ARG 58 Ca -0.10 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 2jmg h ARG 58 Cb 0.79 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.22 2jmg h ARG 58 CO 0.13 0.28 0.27 1.96 -1.51 0.00 0.00 179.97 181.09 2jmg h GLN 59 N 0.43 0.53 -0.68 0.20 4.20 -1.23 -2.65 115.11 115.91 2jmg h GLN 59 Ca 0.58 -0.03 0.10 0.00 0.06 0.00 0.00 58.65 59.36 2jmg h GLN 59 Cb 1.11 -0.12 -0.08 0.00 0.30 0.00 0.00 27.48 28.70 2jmg h GLN 59 CO -0.52 0.36 0.30 0.82 -0.67 0.00 0.00 178.83 179.11 2jmg h ILE 60 N 0.55 0.79 -0.73 2.54 2.04 0.30 -0.08 117.51 122.91 2jmg h ILE 60 Ca 0.15 -0.17 0.14 0.00 1.00 0.00 0.00 64.86 65.98 2jmg h ILE 60 Cb -0.06 0.24 -0.05 0.00 -0.74 0.00 0.00 36.82 36.22 2jmg h ILE 60 CO -0.03 0.09 0.49 -0.07 0.00 0.00 0.00 178.15 178.63 2jmg h LEU 61 N 0.50 0.39 -1.69 1.44 3.38 -1.09 0.29 115.31 118.53 2jmg h LEU 61 Ca 0.34 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.32 2jmg h LEU 61 Cb 0.41 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 2jmg h LEU 61 CO -0.30 0.21 0.02 1.23 0.09 0.00 0.00 178.44 179.68 2jmg h GLY 62 N 0.42 0.22 1.34 0.83 0.00 -0.91 0.37 103.07 105.34 2jmg h GLY 62 Ca 0.36 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 47.59 2jmg h GLY 62 CO -0.11 0.10 0.00 -1.06 0.00 0.00 0.00 176.54 175.46 2jmg n GLN 63 N -4.43 0.59 -0.00 4.80 6.02 0.09 -3.24 117.38 121.21 2jmg n GLN 63 Ca -0.01 0.02 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 2jmg n GLN 63 Cb 0.15 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 29.90 2jmg n GLN 63 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2jmg n LEU 64 N -1.17 0.00 0.08 1.08 4.77 -0.15 -4.61 117.00 117.00 2jmg n LEU 64 Ca 0.16 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.99 2jmg n LEU 64 Cb 0.17 0.01 -0.09 0.00 -2.33 0.00 0.00 43.42 41.17 2jmg n LEU 64 CO 0.19 0.01 0.52 -0.61 -1.33 0.00 0.00 177.39 176.17 2jmg h GLN 65 N 0.00 -0.67 0.00 3.23 4.15 -0.33 0.33 115.11 121.81 2jmg h GLN 65 Ca -0.01 0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.45 2jmg h GLN 65 Cb 0.36 0.15 0.00 0.00 0.21 0.00 0.00 27.48 28.20 2jmg h GLN 65 CO 0.00 -0.45 0.00 -0.35 -1.93 0.00 0.00 178.83 176.10 2jmg n PRO 66 N -5.47 0.22 -0.00 -2.39 -0.04 -1.26 -1.91 135.00 124.14 2jmg n PRO 66 Ca -0.08 0.14 0.08 0.00 -0.04 0.00 0.00 63.50 63.61 2jmg n PRO 66 Cb 0.40 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.26 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 -1.28 0.83 -0.24 3.54 7.64 0.12 -4.42 113.62 119.82 2jmg n SER 67 Ca 0.07 -0.84 0.08 0.00 1.01 0.00 0.00 58.87 59.19 2jmg n SER 67 Cb 0.12 1.07 0.34 0.00 -1.01 0.00 0.00 64.21 64.72 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 0.71 -0.85 -3.43 3.38 0.24 0.31 115.31 115.67 2jmg h LEU 68 Ca 0.00 0.02 0.10 0.00 0.09 0.00 0.00 57.88 58.09 2jmg h LEU 68 Cb 0.45 -0.13 -0.08 0.00 0.09 0.00 0.00 40.66 41.00 2jmg h LEU 68 CO 0.00 0.42 0.49 -0.61 0.09 0.00 0.00 178.44 178.83 2jmg h GLN 69 N 0.79 0.78 -1.45 1.13 4.15 -1.77 -3.13 115.11 115.61 2jmg h GLN 69 Ca 0.38 -0.05 -0.47 0.00 0.77 0.00 0.00 58.65 59.28 2jmg h GLN 69 Cb 0.43 -0.18 -0.41 0.00 0.21 0.00 0.00 27.48 27.54 2jmg h GLN 69 CO -0.15 0.52 -0.99 0.25 -1.93 0.00 0.00 178.83 176.52 2jmg n THR 70 N -4.74 1.47 -4.24 2.39 -2.24 -0.52 -5.08 114.28 101.32 2jmg n THR 70 Ca 0.15 -4.14 -0.35 0.00 -2.27 0.00 0.00 64.05 57.44 2jmg n THR 70 Cb 0.30 -0.29 -0.10 0.00 -2.10 0.00 0.00 70.33 68.14 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 -3.18 1.87 1.13 3.38 0.00 0.98 -5.00 107.32 106.50 2jmg s GLY 71 Ca 0.38 -0.78 -0.16 0.00 0.00 0.00 0.00 44.72 44.16 2jmg s GLY 71 CO -0.07 -0.29 1.09 -1.35 0.00 0.00 0.00 173.10 172.48 2jmg s SER 72 N -0.33 1.47 0.59 1.64 1.04 -1.26 -4.61 113.70 112.23 2jmg s SER 72 Ca 0.07 0.89 0.28 0.00 0.48 0.00 0.00 55.95 57.67 2jmg s SER 72 Cb -0.12 -1.33 1.59 0.00 0.10 0.00 0.00 66.02 66.26 2jmg s SER 72 CO 0.02 -3.81 2.04 1.05 0.98 0.00 0.00 173.24 173.51 2jmg h GLU 73 N -2.37 0.00 0.15 4.02 4.11 -1.99 -1.40 114.58 117.11 2jmg h GLU 73 Ca -0.50 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 58.92 2jmg h GLU 73 Cb 1.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.57 2jmg h GLU 73 CO 0.44 0.00 -0.07 0.93 0.07 0.00 0.00 179.01 180.38 2jmg h GLU 74 N 0.00 -0.20 -0.36 1.06 5.08 -2.00 -2.75 114.58 115.42 2jmg h GLU 74 Ca 0.13 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.55 2jmg h GLU 74 Cb 0.70 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.95 2jmg h GLU 74 CO -0.00 0.22 0.08 1.25 -1.00 0.00 0.00 179.01 179.56 2jmg h LEU 75 N -0.91 0.04 -0.49 1.33 6.46 -1.73 -1.82 115.31 118.19 2jmg h LEU 75 Ca -0.02 0.05 0.07 0.00 -0.12 0.00 0.00 57.88 57.86 2jmg h LEU 75 Cb 0.51 0.07 -0.06 0.00 -0.73 0.00 0.00 40.66 40.45 2jmg h LEU 75 CO 0.03 0.06 0.17 -0.09 -0.62 0.00 0.00 178.44 178.00 2jmg h ARG 76 N 0.21 0.34 0.22 1.25 1.12 -1.39 -2.12 114.38 114.00 2jmg h ARG 76 Ca 0.17 -0.02 0.01 0.00 -1.11 0.00 0.00 59.98 59.02 2jmg h ARG 76 Cb 0.18 -0.08 -0.02 0.00 -0.01 0.00 0.00 29.97 30.04 2jmg h ARG 76 CO -0.21 0.22 -0.25 0.77 -3.11 0.00 0.00 179.97 177.39 2jmg h SER 77 N 0.35 -0.68 -0.51 -3.80 0.02 -1.09 -2.72 113.55 105.12 2jmg h SER 77 Ca 0.24 0.07 0.10 0.00 -0.84 0.00 0.00 61.79 61.36 2jmg h SER 77 Cb 0.25 0.24 -0.10 0.00 0.14 0.00 0.00 62.40 62.93 2jmg h SER 77 CO -0.24 -0.36 -0.20 -0.07 -1.14 0.00 0.00 176.83 174.82 2jmg h LEU 78 N -0.51 -0.71 -0.69 5.07 -0.00 -0.99 0.45 115.31 117.92 2jmg h LEU 78 Ca 0.00 0.18 0.15 0.00 -0.00 0.00 0.00 57.88 58.21 2jmg h LEU 78 Cb 0.49 0.40 -0.12 0.00 -0.00 0.00 0.00 40.66 41.43 2jmg h LEU 78 CO -0.08 -0.23 0.01 0.22 -0.00 0.00 0.00 178.44 178.36 2jmg h TYR 79 N -0.09 -0.04 0.00 1.13 3.20 -1.11 0.66 116.97 120.72 2jmg h TYR 79 Ca 0.24 0.05 0.00 0.00 3.14 0.00 0.00 58.73 62.16 2jmg h TYR 79 Cb 0.46 0.13 0.00 0.00 1.54 0.00 0.00 36.73 38.85 2jmg h TYR 79 CO -0.49 -0.20 0.00 -0.91 -1.64 0.00 0.00 178.16 174.92 2jmg h ASN 80 N 0.11 0.00 0.05 -2.11 -0.26 -0.81 -2.90 115.58 109.66 2jmg h ASN 80 Ca 0.37 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 56.11 2jmg h ASN 80 Cb 0.62 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.88 2jmg h ASN 80 CO -0.60 0.00 -0.02 0.74 -1.06 0.00 0.00 177.43 176.49 2jmg h THR 81 N 0.00 0.61 0.00 2.81 2.02 0.46 -3.22 112.91 115.59 2jmg h THR 81 Ca 0.00 -1.37 -0.01 0.00 0.77 0.00 0.00 66.41 65.79 2jmg h THR 81 Cb 0.80 1.13 -0.00 0.00 -1.74 0.00 0.00 68.15 68.34 2jmg h THR 81 CO 0.00 0.20 -0.07 0.40 0.37 0.00 0.00 175.52 176.42 2jmg h ILE 82 N -0.99 0.65 0.00 3.11 2.04 -0.37 -1.10 117.51 120.85 2jmg h ILE 82 Ca -0.01 -0.29 -0.05 0.00 1.00 0.00 0.00 64.86 65.51 2jmg h ILE 82 Cb 0.37 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.62 2jmg h ILE 82 CO 0.01 0.07 -0.26 0.00 0.00 0.00 0.00 178.15 177.97 2jmg h ALA 83 N 1.93 1.09 0.06 1.87 0.00 -1.61 -1.91 119.26 120.70 2jmg h ALA 83 Ca -0.00 -0.23 -0.29 0.00 0.00 0.00 0.00 54.91 54.39 2jmg h ALA 83 Cb 0.17 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 2jmg h ALA 83 CO 0.01 0.32 -1.54 0.28 0.00 0.00 0.00 179.25 178.32 2jmg h VAL 84 N 0.00 1.10 -0.15 0.00 2.07 -1.21 -3.35 116.25 114.70 2jmg h VAL 84 Ca -0.00 -2.84 -0.19 0.00 0.82 0.00 0.00 66.70 64.49 2jmg h VAL 84 Cb 0.69 2.63 -0.00 0.00 -1.52 0.00 0.00 31.29 33.10 2jmg h VAL 84 CO 0.03 0.74 -0.67 0.25 0.02 0.00 0.00 177.57 177.95 2jmg h LEU 85 N 0.03 0.69 -1.62 2.57 5.85 -1.33 -3.11 115.31 118.40 2jmg h LEU 85 Ca -0.23 -0.42 0.18 0.00 0.84 0.00 0.00 57.88 58.25 2jmg h LEU 85 Cb 1.97 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 42.75 2jmg h LEU 85 CO 0.12 1.17 0.55 0.22 -0.34 0.00 0.00 178.44 180.16 2jmg h TYR 86 N 0.43 0.43 0.00 1.25 5.03 -1.48 0.41 116.97 123.04 2jmg h TYR 86 Ca -0.02 0.01 -0.06 0.00 2.58 0.00 0.00 58.73 61.24 2jmg h TYR 86 Cb 1.25 -0.13 -0.01 0.00 1.55 0.00 0.00 36.73 39.38 2jmg h TYR 86 CO 0.06 0.14 -0.29 0.00 -1.32 0.00 0.00 178.16 176.75 2jmg h VAL 88 N 0.00 1.27 0.00 0.00 2.07 -0.27 0.59 116.25 119.90 2jmg h VAL 88 Ca -0.00 -1.84 0.00 0.00 0.82 0.00 0.00 66.70 65.68 2jmg h VAL 88 Cb 0.71 2.02 0.00 0.00 -1.52 0.00 0.00 31.29 32.50 2jmg h VAL 88 CO 0.04 0.51 -1.66 1.41 0.02 0.00 0.00 177.57 177.88 2jmg n HIS 89 N -3.77 0.00 0.53 1.57 8.25 -1.04 -4.43 115.22 116.33 2jmg n HIS 89 Ca -0.01 0.00 0.06 0.00 -0.26 0.00 0.00 57.72 57.51 2jmg n HIS 89 Cb 0.56 -0.34 -0.03 0.00 1.12 0.00 0.00 29.99 31.29 2jmg n HIS 89 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 2jmg n GLN 90 N -2.01 2.48 -3.18 -0.41 0.00 0.82 -4.83 117.38 110.25 2jmg n GLN 90 Ca -0.02 -0.41 -0.14 0.00 -0.00 0.00 0.00 57.00 56.43 2jmg n GLN 90 Cb 0.44 -1.10 0.07 0.00 0.00 0.00 0.00 30.24 29.66 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 -0.63 -4.70 -3.30 3.69 0.63 0.20 -4.97 116.66 107.58 2jmg n ARG 91 Ca 0.04 0.74 -0.42 0.00 -0.92 0.00 0.00 57.85 57.29 2jmg n ARG 91 Cb 0.22 -5.38 -0.08 0.00 0.45 0.00 0.00 32.46 27.66 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 -3.32 5.06 -0.61 5.15 -1.09 -0.89 -5.00 121.20 120.50 2jmg s ILE 92 Ca 0.11 -0.00 -0.26 0.00 -2.23 0.00 0.00 60.65 58.27 2jmg s ILE 92 Cb -0.01 -3.98 -0.10 0.00 -1.58 0.00 0.00 42.46 36.79 2jmg s ILE 92 CO 0.64 -0.30 2.42 -0.67 -1.23 0.00 0.00 174.94 175.80 2jmg n ASP 93 N 5.65 2.08 -4.37 3.58 2.03 -1.26 -4.78 116.55 119.49 2jmg n ASP 93 Ca -0.06 -0.88 -0.35 0.00 0.52 0.00 0.00 54.79 54.02 2jmg n ASP 93 Cb 0.48 -1.60 -0.13 0.00 -0.72 0.00 0.00 41.12 39.14 2jmg n ASP 93 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 2jmg s VAL 94 N 13.15 3.61 -0.28 5.18 -7.23 -1.26 -4.92 120.40 128.65 2jmg s VAL 94 Ca 0.97 -0.42 0.25 0.00 -1.81 0.00 0.00 61.98 60.97 2jmg s VAL 94 Cb -0.17 -2.64 0.33 0.00 0.56 0.00 0.00 36.38 34.46 2jmg s VAL 94 CO 0.20 0.42 1.69 0.50 -0.31 0.00 0.00 175.10 177.60 2jmg h LYS 95 N 7.85 0.00 0.00 4.82 3.64 -1.91 -3.43 116.57 127.54 2jmg h LYS 95 Ca -0.38 0.00 0.29 0.00 -1.27 0.00 0.00 60.65 59.29 2jmg h LYS 95 Cb 1.17 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.94 2jmg h LYS 95 CO 0.60 0.04 0.78 -0.40 -2.27 0.00 0.00 179.45 178.21 2jmg n ASP 96 N -3.12 -1.14 -0.11 4.20 5.68 -1.26 -4.15 116.55 116.66 2jmg n ASP 96 Ca 0.03 -1.29 -0.05 0.00 -0.50 0.00 0.00 54.79 52.97 2jmg n ASP 96 Cb 0.49 1.78 0.01 0.00 -1.14 0.00 0.00 41.12 42.26 2jmg n ASP 96 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 2jmg h THR 97 N 1.89 0.47 0.00 2.12 2.02 -1.45 -1.46 112.91 116.50 2jmg h THR 97 Ca -0.20 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.99 2jmg h THR 97 Cb 1.06 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.93 2jmg h THR 97 CO 0.28 0.00 -0.03 0.50 0.37 0.00 0.00 175.52 176.65 2jmg h LYS 98 N -0.10 -0.05 -0.93 6.66 3.64 -1.89 -2.46 116.57 121.44 2jmg h LYS 98 Ca 0.19 0.00 0.22 0.00 -1.27 0.00 0.00 60.65 59.79 2jmg h LYS 98 Cb 0.39 0.01 -0.12 0.00 -0.41 0.00 0.00 32.23 32.10 2jmg h LYS 98 CO -0.45 -0.03 0.47 0.93 -2.27 0.00 0.00 179.45 178.10 2jmg h GLU 99 N -0.05 0.48 0.26 1.90 3.07 -1.76 -0.80 114.58 117.68 2jmg h GLU 99 Ca 0.01 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 58.83 2jmg h GLU 99 Cb 0.06 -0.11 -0.00 0.00 -0.84 0.00 0.00 28.75 27.86 2jmg h GLU 99 CO -0.03 0.32 -0.16 0.00 -1.40 0.00 0.00 179.01 177.74 2jmg h ALA 100 N 1.70 -0.40 0.15 3.43 0.00 -0.82 -0.03 119.26 123.29 2jmg h ALA 100 Ca 0.58 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.43 2jmg h ALA 100 Cb 1.07 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 19.02 2jmg h ALA 100 CO -0.49 -0.73 -0.40 1.25 0.00 0.00 0.00 179.25 178.88 2jmg h LEU 101 N -0.41 -1.17 -0.10 0.00 7.12 -0.95 0.39 115.31 120.18 2jmg h LEU 101 Ca -0.02 0.13 0.00 0.00 0.13 0.00 0.00 57.88 58.11 2jmg h LEU 101 Cb 0.34 0.44 0.00 0.00 -0.53 0.00 0.00 40.66 40.91 2jmg h LEU 101 CO 0.02 -0.48 0.00 0.47 -0.13 0.00 0.00 178.44 178.32 2jmg n ASP 102 N -5.46 0.05 -0.09 1.25 8.00 -0.72 -1.09 116.55 118.49 2jmg n ASP 102 Ca -0.07 0.52 -0.13 0.00 0.71 0.00 0.00 54.79 55.82 2jmg n ASP 102 Cb 0.37 -0.53 -0.06 0.00 -0.02 0.00 0.00 41.12 40.88 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 -0.41 -1.24 1.79 0.13 -3.04 116.57 113.80 2jmg h LYS 103 Ca 0.00 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.40 2jmg h LYS 103 Cb 0.10 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.73 2jmg h LYS 103 CO 0.00 0.46 -0.03 0.82 -1.08 0.00 0.00 179.45 179.62 2jmg h ILE 104 N -1.00 1.23 0.22 1.86 2.04 -0.19 -1.78 117.51 119.90 2jmg h ILE 104 Ca -0.16 -0.98 -0.01 0.00 1.00 0.00 0.00 64.86 64.70 2jmg h ILE 104 Cb 0.88 0.96 0.00 0.00 -0.74 0.00 0.00 36.82 37.91 2jmg h ILE 104 CO -0.10 0.34 -0.11 -0.08 0.00 0.00 0.00 178.15 178.20 2jmg h GLU 105 N 0.64 -0.29 -0.89 2.37 4.81 -1.31 -3.25 114.58 116.66 2jmg h GLU 105 Ca 0.12 0.02 0.14 0.00 -0.13 0.00 0.00 59.36 59.52 2jmg h GLU 105 Cb 0.45 0.07 -0.09 0.00 0.63 0.00 0.00 28.75 29.80 2jmg h GLU 105 CO 0.02 0.09 0.49 1.49 -0.73 0.00 0.00 179.01 180.37 2jmg h GLU 106 N -0.87 0.69 -0.58 1.92 4.57 -1.53 0.33 114.58 119.12 2jmg h GLU 106 Ca -0.03 -0.04 0.17 0.00 -1.18 0.00 0.00 59.36 58.28 2jmg h GLU 106 Cb 0.51 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.92 2jmg h GLU 106 CO 0.05 0.46 0.45 1.49 -1.18 0.00 0.00 179.01 180.28 2jmg h GLU 107 N 0.71 0.00 0.00 1.92 4.22 -1.36 -0.22 114.58 119.85 2jmg h GLU 107 Ca 0.48 0.00 -0.23 0.00 0.08 0.00 0.00 59.36 59.69 2jmg h GLU 107 Cb 0.64 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.85 2jmg h GLU 107 CO -0.34 0.00 -2.16 1.04 -2.18 0.00 0.00 179.01 175.37 2jmg n GLN 108 N -4.19 0.67 -0.04 1.92 1.13 0.62 -4.31 117.38 113.19 2jmg n GLN 108 Ca 0.11 -0.04 0.00 0.00 -1.94 0.00 0.00 57.00 55.13 2jmg n GLN 108 Cb 0.69 -1.56 0.30 0.00 0.11 0.00 0.00 30.24 29.78 2jmg n GLN 108 CO 0.00 0.00 0.00 -0.97 -1.44 0.00 0.00 177.06 174.65 2jmg h ASN 109 N 0.00 0.56 -0.74 1.08 -1.24 0.12 -2.20 115.58 113.17 2jmg h ASN 109 Ca -0.33 -0.08 0.19 0.00 0.71 0.00 0.00 56.30 56.79 2jmg h ASN 109 Cb 1.79 -0.14 -0.04 0.00 0.73 0.00 0.00 38.32 40.66 2jmg h ASN 109 CO 0.02 0.56 0.52 0.11 -1.29 0.00 0.00 177.43 177.36 2jmg h LYS 110 N 0.59 0.12 -0.14 6.67 1.57 -1.51 0.24 116.57 124.11 2jmg h LYS 110 Ca 0.14 -0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.79 2jmg h LYS 110 Cb 0.23 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 2jmg h LYS 110 CO -0.00 0.08 -0.43 1.03 -0.57 0.00 0.00 179.45 179.56 2jmg h SER 111 N 0.13 0.35 -0.21 0.86 0.87 -1.65 -3.08 113.55 110.82 2jmg h SER 111 Ca 0.36 -0.15 -0.20 0.00 -1.23 0.00 0.00 61.79 60.57 2jmg h SER 111 Cb 1.24 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 63.10 2jmg h SER 111 CO -0.05 0.74 -0.63 0.11 -0.53 0.00 0.00 176.83 176.47 2jmg h LYS 112 N 0.27 0.83 -0.87 2.24 1.57 -0.63 -2.52 116.57 117.45 2jmg h LYS 112 Ca 0.02 -0.57 0.22 0.00 -1.87 0.00 0.00 60.65 58.44 2jmg h LYS 112 Cb 0.87 0.09 -0.05 0.00 0.08 0.00 0.00 32.23 33.21 2jmg h LYS 112 CO 0.07 1.20 0.59 -0.22 -0.57 0.00 0.00 179.45 180.52 2jmg h LYS 113 N 0.61 0.24 0.00 3.15 3.64 -1.30 -2.81 116.57 120.10 2jmg h LYS 113 Ca -0.01 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 2jmg h LYS 113 Cb 1.24 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 33.01 2jmg h LYS 113 CO 0.13 0.16 -0.17 0.87 -2.27 0.00 0.00 179.45 178.18 2jmg h LYS 114 N 0.25 0.00 -6.25 1.90 1.57 -1.57 -3.48 116.57 108.99 2jmg h LYS 114 Ca 0.44 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 58.74 2jmg h LYS 114 Cb 1.33 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.57 2jmg h LYS 114 CO -0.11 0.01 -0.75 0.00 -0.57 0.00 0.00 179.45 178.03 2jmg n ALA 115 N -3.06 -1.24 0.10 3.86 0.00 -0.96 -4.81 120.51 114.41 2jmg n ALA 115 Ca -0.02 0.16 0.19 0.00 0.00 0.00 0.00 53.44 53.76 2jmg n ALA 115 Cb 0.09 -4.16 0.75 0.00 0.00 0.00 0.00 19.45 16.14 2jmg n ALA 115 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2jmg h GLN 116 N -1.85 0.00 0.00 0.00 5.75 -1.90 0.16 115.11 117.26 2jmg h GLN 116 Ca -0.57 0.00 -0.22 0.00 -0.15 0.00 0.00 58.65 57.72 2jmg h GLN 116 Cb 1.37 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 29.88 2jmg h GLN 116 CO 0.68 0.00 -1.80 0.94 -2.65 0.00 0.00 178.83 176.00 2jmg n GLN 117 N -3.97 0.65 -1.06 1.69 7.27 -1.26 -4.11 117.38 116.59 2jmg n GLN 117 Ca 0.06 0.11 -0.09 0.00 0.07 0.00 0.00 57.00 57.16 2jmg n GLN 117 Cb 0.52 -1.69 0.29 0.00 2.41 0.00 0.00 30.24 31.77 2jmg n GLN 117 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2jmg n ALA 118 N -2.50 4.76 -1.84 1.69 0.00 0.08 -4.19 120.51 118.51 2jmg n ALA 118 Ca -0.16 -2.45 0.05 0.00 0.00 0.00 0.00 53.44 50.87 2jmg n ALA 118 Cb 0.92 -1.27 0.09 0.00 0.00 0.00 0.00 19.45 19.18 2jmg n ALA 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jmg n ALA 119 N -0.33 2.58 -0.04 0.00 0.00 0.32 -4.69 120.51 118.35 2jmg n ALA 119 Ca 0.44 -2.31 -0.04 0.00 0.00 0.00 0.00 53.44 51.53 2jmg n ALA 119 Cb 1.44 -0.51 -0.05 0.00 0.00 0.00 0.00 19.45 20.33 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 -0.44 1.83 -1.53 0.00 0.00 -1.26 -4.65 120.51 114.46 2jmg n ALA 120 Ca 0.10 -0.43 -0.06 0.00 0.00 0.00 0.00 53.44 53.05 2jmg n ALA 120 Cb 0.81 0.15 0.18 0.00 0.00 0.00 0.00 19.45 20.59 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 -2.36 2.79 -3.70 0.00 8.00 -1.26 -5.01 116.55 115.01 2jmg n ASP 121 Ca -0.12 -3.81 -0.14 0.00 0.71 0.00 0.00 54.79 51.43 2jmg n ASP 121 Cb 0.71 -0.62 -0.07 0.00 -0.02 0.00 0.00 41.12 41.12 2jmg n ASP 121 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2jmg s THR 122 N -3.44 0.00 -0.42 -3.53 -4.23 -1.26 -5.13 115.64 97.62 2jmg s THR 122 Ca 0.45 -1.80 0.00 0.00 -1.18 0.00 0.00 61.69 59.16 2jmg s THR 122 Cb 0.41 -2.49 0.21 0.00 1.34 0.00 0.00 72.50 71.97 2jmg s THR 122 CO -0.01 0.00 0.95 0.61 -0.54 0.00 0.00 174.62 175.63 2jmg n GLY 123 N -0.46 -1.12 3.84 3.99 0.00 -1.26 -4.96 105.19 105.22 2jmg n GLY 123 Ca 0.03 0.85 -0.22 0.00 0.00 0.00 0.00 46.02 46.68 2jmg n GLY 123 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jmg s ASN 124 N 0.62 4.92 0.00 1.61 4.22 -1.26 -5.06 114.94 119.99 2jmg s ASN 124 Ca 0.27 -0.80 0.00 0.00 -2.14 0.00 0.00 52.86 50.19 2jmg s ASN 124 Cb 0.09 -0.58 0.00 0.00 1.28 0.00 0.00 41.25 42.04 2jmg s ASN 124 CO -0.09 -0.60 0.00 -3.20 -2.04 0.00 0.00 177.10 171.17 2jmg n ASN 125 N -1.45 4.58 -4.56 3.54 4.05 -1.26 -4.96 115.26 115.18 2jmg n ASN 125 Ca 0.02 0.00 -0.40 0.00 0.45 0.00 0.00 54.58 54.65 2jmg n ASN 125 Cb 0.62 0.30 -0.03 0.00 1.23 0.00 0.00 39.78 41.91 2jmg n ASN 125 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 177.26 173.77 2jmg s SER 126 N -3.37 5.40 0.20 1.20 0.01 -1.26 -4.96 113.70 110.91 2jmg s SER 126 Ca 0.00 0.63 -0.26 0.00 1.31 0.00 0.00 55.95 57.63 2jmg s SER 126 Cb 0.00 -2.53 -0.08 0.00 0.21 0.00 0.00 66.02 63.62 2jmg s SER 126 CO 0.00 -2.22 0.82 0.00 0.41 0.00 0.00 173.24 172.25 2jmg s GLN 127 N 6.72 4.60 1.16 12.44 -2.07 -1.26 -5.05 119.66 136.19 2jmg s GLN 127 Ca 0.72 1.21 -0.14 0.00 -1.82 0.00 0.00 55.36 55.33 2jmg s GLN 127 Cb -0.15 -3.19 0.27 0.00 -1.09 0.00 0.00 33.01 28.85 2jmg s GLN 127 CO 0.24 0.52 1.04 0.14 -1.32 0.00 0.00 175.29 175.92 2jmg s VAL 128 N -1.23 1.90 -0.07 3.63 -7.23 -1.26 -5.04 120.40 111.10 2jmg s VAL 128 Ca 0.38 0.00 0.04 0.00 -1.81 0.00 0.00 61.98 60.60 2jmg s VAL 128 Cb -0.23 -2.21 -0.02 0.00 0.56 0.00 0.00 36.38 34.48 2jmg s VAL 128 CO 0.27 0.00 -0.20 -0.44 -0.31 0.00 0.00 175.10 174.42 2jmg s SER 129 N -2.94 3.51 0.92 4.85 0.01 -1.26 -5.13 113.70 113.66 2jmg s SER 129 Ca 0.68 -0.39 -0.13 0.00 1.31 0.00 0.00 55.95 57.42 2jmg s SER 129 Cb -0.21 -0.96 0.14 0.00 0.21 0.00 0.00 66.02 65.21 2jmg s SER 129 CO 0.62 0.26 1.16 -1.10 0.41 0.00 0.00 173.24 174.58 2jmg s GLN 130 N -0.25 1.09 0.65 12.44 1.11 -1.26 -5.06 119.66 128.38 2jmg s GLN 130 Ca 0.00 0.20 -0.07 0.00 0.01 0.00 0.00 55.36 55.49 2jmg s GLN 130 Cb -0.13 -1.84 0.03 0.00 -1.01 0.00 0.00 33.01 30.05 2jmg s GLN 130 CO 0.03 -2.21 0.97 -0.80 0.01 0.00 0.00 175.29 173.29 2jmg s ASN 131 N -4.16 5.33 0.00 5.90 0.02 -1.26 -5.28 114.94 115.50 2jmg s ASN 131 Ca 0.65 0.73 0.32 0.00 -1.02 0.00 0.00 52.86 53.53 2jmg s ASN 131 Cb -0.13 -1.58 1.83 0.00 0.02 0.00 0.00 41.25 41.39 2jmg s ASN 131 CO 0.53 -1.28 2.18 -1.22 0.02 0.00 0.00 177.10 177.33