#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jmg s ALA 3 N 0.00 4.06 -0.19 4.61 0.00 -1.26 -5.01 121.76 123.97 2jmg s ALA 3 Ca 0.00 -1.35 -0.28 0.00 0.00 0.00 0.00 51.96 50.32 2jmg s ALA 3 Cb 0.00 -1.91 -0.05 0.00 0.00 0.00 0.00 23.12 21.15 2jmg s ALA 3 CO 0.00 -0.39 2.13 0.50 0.00 0.00 0.00 175.76 178.00 2jmg s ARG 4 N -4.49 3.30 1.12 0.00 3.52 -1.26 -4.74 118.95 116.40 2jmg s ARG 4 Ca 0.52 2.05 0.00 0.00 -0.13 0.00 0.00 55.73 58.16 2jmg s ARG 4 Cb -0.10 -4.32 0.00 0.00 -1.56 0.00 0.00 34.95 28.97 2jmg s ARG 4 CO 0.35 -1.91 0.00 0.00 -0.81 0.00 0.00 175.30 172.93 2jmg n ALA 5 N 10.93 0.00 -0.46 6.12 0.00 -1.26 -4.74 120.51 131.10 2jmg n ALA 5 Ca 0.28 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.45 2jmg n ALA 5 Cb 0.45 0.00 0.22 0.00 0.00 0.00 0.00 19.45 20.11 2jmg n ALA 5 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2jmg n SER 6 N -3.45 -3.02 -0.09 0.00 3.41 -1.26 -4.98 113.62 104.22 2jmg n SER 6 Ca 0.00 -0.44 -0.23 0.00 -0.26 0.00 0.00 58.87 57.94 2jmg n SER 6 Cb 0.00 -0.95 -0.12 0.00 -0.26 0.00 0.00 64.21 62.88 2jmg n SER 6 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2jmg n ARG 7 N -3.54 0.62 -0.91 4.33 0.63 -1.26 -4.96 116.66 111.57 2jmg n ARG 7 Ca 0.06 0.42 -0.33 0.00 -0.92 0.00 0.00 57.85 57.08 2jmg n ARG 7 Cb 0.52 -1.68 0.14 0.00 0.45 0.00 0.00 32.46 31.89 2jmg n ARG 7 CO 0.00 0.00 0.00 1.47 -2.51 0.00 0.00 177.63 176.59 2jmg n LEU 8 N -4.11 2.85 0.00 6.15 -0.00 -1.26 -5.04 117.00 115.59 2jmg n LEU 8 Ca -0.37 0.48 -0.15 0.00 -0.00 0.00 0.00 56.01 55.96 2jmg n LEU 8 Cb 0.82 -1.42 -0.02 0.00 -0.00 0.00 0.00 43.42 42.80 2jmg n LEU 8 CO 0.21 -2.35 -0.07 -1.54 -0.00 0.00 0.00 177.39 173.65 2jmg n SER 9 N -2.98 2.42 -0.32 1.45 3.41 -1.26 -4.92 113.62 111.42 2jmg n SER 9 Ca 0.11 -2.05 0.13 0.00 -0.26 0.00 0.00 58.87 56.79 2jmg n SER 9 Cb 0.51 0.11 0.31 0.00 -0.26 0.00 0.00 64.21 64.88 2jmg n SER 9 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2jmg h GLY 10 N 0.51 1.63 0.41 5.00 0.00 -1.97 0.34 103.07 109.01 2jmg h GLY 10 Ca -0.20 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 46.87 2jmg h GLY 10 CO 0.32 -0.16 -0.43 -1.33 0.00 0.00 0.00 176.54 174.94 2jmg h GLY 11 N 0.58 -0.97 2.00 4.60 0.00 -2.01 -1.62 103.07 105.64 2jmg h GLY 11 Ca 0.56 0.51 -0.10 0.00 0.00 0.00 0.00 47.33 48.29 2jmg h GLY 11 CO -0.44 -0.30 -0.50 -2.09 0.00 0.00 0.00 176.54 173.21 2jmg h GLU 12 N -0.77 0.00 0.00 4.80 4.81 -1.80 -2.82 114.58 118.80 2jmg h GLU 12 Ca -0.01 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 2jmg h GLU 12 Cb 0.73 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.11 2jmg h GLU 12 CO -0.16 0.50 -0.04 1.25 -0.73 0.00 0.00 179.01 179.83 2jmg h LEU 13 N 0.00 0.00 -0.48 1.64 5.85 0.15 -2.16 115.31 120.31 2jmg h LEU 13 Ca -0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 2jmg h LEU 13 Cb 0.91 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.91 2jmg h LEU 13 CO 0.06 0.04 0.30 -0.78 -0.34 0.00 0.00 178.44 177.73 2jmg h ASP 14 N 0.00 0.57 -0.04 1.25 1.82 -1.04 -1.10 116.42 117.89 2jmg h ASP 14 Ca -0.00 -0.04 -0.22 0.00 -0.39 0.00 0.00 57.03 56.38 2jmg h ASP 14 Cb 0.09 -0.14 0.01 0.00 0.68 0.00 0.00 39.33 39.96 2jmg h ASP 14 CO 0.01 0.45 -0.78 0.11 -1.61 0.00 0.00 179.24 177.42 2jmg h LYS 15 N 0.65 0.69 -0.74 0.28 1.57 -1.56 -2.13 116.57 115.32 2jmg h LYS 15 Ca 0.17 -0.57 0.03 0.00 -1.87 0.00 0.00 60.65 58.41 2jmg h LYS 15 Cb -0.03 0.12 -0.05 0.00 0.08 0.00 0.00 32.23 32.36 2jmg h LYS 15 CO -0.03 1.18 0.47 2.35 -0.57 0.00 0.00 179.45 182.85 2jmg h TRP 16 N 0.47 0.88 0.00 -1.35 2.91 -1.18 -0.96 115.95 116.71 2jmg h TRP 16 Ca -0.05 0.02 0.00 0.00 1.13 0.00 0.00 58.89 59.99 2jmg h TRP 16 Cb 1.39 -0.29 0.00 0.00 -0.51 0.00 0.00 29.16 29.75 2jmg h TRP 16 CO 0.08 0.51 -0.12 0.39 -1.03 0.00 0.00 178.44 178.26 2jmg n GLU 17 N -4.63 0.03 0.43 2.65 1.02 -0.44 -4.03 120.64 115.67 2jmg n GLU 17 Ca 0.08 0.02 -0.17 0.00 -0.02 0.00 0.00 57.16 57.08 2jmg n GLU 17 Cb 0.08 -1.54 -0.08 0.00 -0.02 0.00 0.00 31.44 29.89 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 -1.05 -6.65 3.49 3.64 -0.46 -3.37 116.57 112.17 2jmg h LYS 18 Ca 0.00 0.07 -0.58 0.00 -1.27 0.00 0.00 60.65 58.87 2jmg h LYS 18 Cb 0.53 0.24 0.13 0.00 -0.41 0.00 0.00 32.23 32.72 2jmg h LYS 18 CO 0.00 -0.70 0.19 -0.89 -2.27 0.00 0.00 179.45 175.78 2jmg n ILE 19 N -5.12 2.41 -3.79 2.00 5.41 -1.21 -4.88 119.36 114.18 2jmg n ILE 19 Ca -0.14 -0.50 -0.33 0.00 1.00 0.00 0.00 62.75 62.79 2jmg n ILE 19 Cb 0.43 -1.19 -0.05 0.00 -0.71 0.00 0.00 39.64 38.13 2jmg n ILE 19 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 2jmg s ARG 20 N -1.99 3.54 0.10 0.38 0.52 -1.26 -2.96 118.95 117.28 2jmg s ARG 20 Ca 0.62 -0.19 -0.20 0.00 -0.52 0.00 0.00 55.73 55.44 2jmg s ARG 20 Cb -0.56 -3.00 -0.08 0.00 0.52 0.00 0.00 34.95 31.82 2jmg s ARG 20 CO 0.57 0.59 1.68 -0.07 0.02 0.00 0.00 175.30 178.09 2jmg h LEU 21 N 3.39 0.25 -9.88 2.53 3.38 -0.74 -2.52 115.31 111.73 2jmg h LEU 21 Ca -0.47 -0.11 -0.53 0.00 0.09 0.00 0.00 57.88 56.86 2jmg h LEU 21 Cb 1.18 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 41.80 2jmg h LEU 21 CO 0.71 0.29 -0.51 -0.13 0.09 0.00 0.00 178.44 178.88 2jmg s ARG 22 N -5.78 2.49 -0.01 1.13 0.52 -1.26 -3.54 118.95 112.51 2jmg s ARG 22 Ca -0.13 -1.46 -0.25 0.00 -0.52 0.00 0.00 55.73 53.37 2jmg s ARG 22 Cb 0.08 -2.28 -0.19 0.00 0.52 0.00 0.00 34.95 33.08 2jmg s ARG 22 CO 0.70 0.12 1.28 -1.00 0.02 0.00 0.00 175.30 176.42 2jmg h PRO 23 N 1.46 0.07 -0.71 3.54 0.13 -1.86 -3.34 132.00 131.30 2jmg h PRO 23 Ca -0.44 -0.04 -0.51 0.00 -0.87 0.00 0.00 66.00 64.14 2jmg h PRO 23 Cb 1.25 0.00 -0.37 0.00 0.13 0.00 0.00 31.00 32.01 2jmg h PRO 23 CO 0.62 0.54 -0.59 0.41 -0.23 0.00 0.00 178.00 178.75 2jmg n GLY 24 N 0.22 6.20 0.22 1.56 0.00 -1.26 -4.92 105.19 107.21 2jmg n GLY 24 Ca -0.08 -2.48 -0.02 0.00 0.00 0.00 0.00 46.02 43.45 2jmg n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jmg n GLY 25 N -0.78 3.32 0.04 -0.02 0.00 -1.25 -5.06 105.19 101.44 2jmg n GLY 25 Ca 0.44 -2.19 0.00 0.00 0.00 0.00 0.00 46.02 44.27 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 0.44 -3.38 1.61 4.76 -1.26 -4.92 118.16 114.96 2jmg n LYS 26 Ca -0.00 -0.89 -0.35 0.00 -2.87 0.00 0.00 58.31 54.19 2jmg n LYS 26 Cb 0.04 -1.02 -0.06 0.00 -1.84 0.00 0.00 35.03 32.15 2jmg n LYS 26 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2jmg s LYS 27 N -0.39 3.96 0.00 1.97 1.02 -1.26 -5.01 119.74 120.03 2jmg s LYS 27 Ca 0.01 0.46 0.00 0.00 0.02 0.00 0.00 55.97 56.47 2jmg s LYS 27 Cb 0.01 -2.94 0.00 0.00 -0.52 0.00 0.00 37.83 34.37 2jmg s LYS 27 CO 0.01 0.49 0.00 1.04 -0.92 0.00 0.00 175.35 175.97 2jmg n GLN 28 N 0.83 0.81 -3.58 1.68 3.00 -1.26 -0.10 117.38 118.77 2jmg n GLN 28 Ca -0.06 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.62 2jmg n GLN 28 Cb 0.52 0.00 -0.05 0.00 0.00 0.00 0.00 30.24 30.71 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 -1.46 3.46 0.36 1.08 2.02 -1.15 -4.50 117.35 117.15 2jmg s TYR 29 Ca 0.00 0.67 -0.06 0.00 -0.37 0.00 0.00 57.07 57.31 2jmg s TYR 29 Cb 0.00 -2.09 0.02 0.00 -0.40 0.00 0.00 41.96 39.49 2jmg s TYR 29 CO 0.00 0.37 0.57 -1.59 -1.57 0.00 0.00 175.55 173.33 2jmg s LYS 30 N -2.74 2.04 0.41 -0.62 -2.85 -1.26 -4.06 119.74 110.66 2jmg s LYS 30 Ca 0.43 -1.69 0.07 0.00 -1.00 0.00 0.00 55.97 53.78 2jmg s LYS 30 Cb -0.12 0.50 0.85 0.00 -2.06 0.00 0.00 37.83 37.00 2jmg s LYS 30 CO 0.24 -0.88 2.05 1.25 0.10 0.00 0.00 175.35 178.10 2jmg h LEU 31 N 2.06 0.49 -0.55 2.77 7.12 -1.98 -2.64 115.31 122.58 2jmg h LEU 31 Ca -0.29 -0.01 0.11 0.00 0.13 0.00 0.00 57.88 57.81 2jmg h LEU 31 Cb 1.24 -0.12 -0.11 0.00 -0.53 0.00 0.00 40.66 41.14 2jmg h LEU 31 CO 0.39 0.35 -0.20 0.50 -0.13 0.00 0.00 178.44 179.35 2jmg h LYS 32 N 0.58 -0.07 -0.57 1.25 3.11 -2.00 0.12 116.57 118.99 2jmg h LYS 32 Ca 0.17 0.00 -0.07 0.00 -2.81 0.00 0.00 60.65 57.95 2jmg h LYS 32 Cb -0.01 0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 31.21 2jmg h LYS 32 CO -0.04 -0.04 0.09 0.45 -2.81 0.00 0.00 179.45 177.09 2jmg h HIS 33 N -0.07 1.02 0.76 1.91 -0.00 -1.89 -2.87 115.15 114.01 2jmg h HIS 33 Ca 0.26 -0.14 -0.04 0.00 -0.00 0.00 0.00 60.37 60.45 2jmg h HIS 33 Cb 0.47 -0.28 0.00 0.00 -0.00 0.00 0.00 27.41 27.60 2jmg h HIS 33 CO -0.51 0.89 -0.41 0.82 -0.00 0.00 0.00 177.93 178.72 2jmg h ILE 34 N 0.85 0.00 -0.87 2.45 2.04 -1.07 -1.52 117.51 119.38 2jmg h ILE 34 Ca 0.17 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.20 2jmg h ILE 34 Cb 0.43 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.35 2jmg h ILE 34 CO 0.01 0.00 -0.27 0.58 0.00 0.00 0.00 178.15 178.47 2jmg h VAL 35 N -1.07 0.10 0.04 1.67 2.07 -1.09 0.32 116.25 118.29 2jmg h VAL 35 Ca -0.10 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.43 2jmg h VAL 35 Cb 0.84 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 2jmg h VAL 35 CO 0.15 0.00 -0.16 -0.25 0.02 0.00 0.00 177.57 177.33 2jmg h TRP 36 N -0.02 -0.41 -0.08 1.57 7.01 -1.39 -2.00 115.95 120.62 2jmg h TRP 36 Ca 0.39 0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.42 2jmg h TRP 36 Cb 0.63 0.18 -0.03 0.00 -2.10 0.00 0.00 29.16 27.83 2jmg h TRP 36 CO -0.72 -0.24 -0.09 0.00 -2.79 0.00 0.00 178.44 174.61 2jmg h ALA 37 N 0.61 -0.02 -0.47 2.65 0.00 0.22 0.31 119.26 122.55 2jmg h ALA 37 Ca 0.04 0.04 0.14 0.00 0.00 0.00 0.00 54.91 55.12 2jmg h ALA 37 Cb 0.33 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2jmg h ALA 37 CO -0.12 -0.55 0.43 0.77 0.00 0.00 0.00 179.25 179.78 2jmg h SER 38 N -0.11 0.00 0.07 0.00 0.02 -0.27 -0.63 113.55 112.63 2jmg h SER 38 Ca 0.06 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.76 2jmg h SER 38 Cb 0.20 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.72 2jmg h SER 38 CO -0.15 0.00 -1.34 0.03 -1.14 0.00 0.00 176.83 174.24 2jmg h ARG 39 N 0.00 0.15 -0.32 3.45 3.08 -0.44 -3.33 114.38 116.97 2jmg h ARG 39 Ca 0.22 -0.25 0.06 0.00 0.07 0.00 0.00 59.98 60.08 2jmg h ARG 39 Cb 1.08 0.09 -0.05 0.00 0.08 0.00 0.00 29.97 31.17 2jmg h ARG 39 CO -0.00 1.12 -0.03 1.49 -1.07 0.00 0.00 179.97 181.48 2jmg h GLU 40 N -0.54 0.06 -0.99 0.04 4.57 0.58 -1.39 114.58 116.91 2jmg h GLU 40 Ca -0.31 -0.00 0.16 0.00 -1.18 0.00 0.00 59.36 58.02 2jmg h GLU 40 Cb 1.59 -0.01 -0.09 0.00 -0.16 0.00 0.00 28.75 30.07 2jmg h GLU 40 CO -0.03 0.04 0.62 -0.07 -1.18 0.00 0.00 179.01 178.39 2jmg h LEU 41 N 0.06 0.83 -2.28 1.64 3.38 -1.34 0.30 115.31 117.90 2jmg h LEU 41 Ca 0.16 0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.24 2jmg h LEU 41 Cb 0.22 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2jmg h LEU 41 CO -0.29 0.37 0.18 -0.08 0.09 0.00 0.00 178.44 178.71 2jmg h GLU 42 N 0.85 0.00 0.00 1.13 4.22 -0.91 0.17 114.58 120.03 2jmg h GLU 42 Ca 0.53 0.00 -0.13 0.00 0.08 0.00 0.00 59.36 59.84 2jmg h GLU 42 Cb 0.73 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.96 2jmg h GLU 42 CO -0.31 0.00 -1.10 -0.09 -2.18 0.00 0.00 179.01 175.32 2jmg h ARG 43 N 0.00 0.00 -1.13 1.92 9.65 -0.36 -3.33 114.38 121.13 2jmg h ARG 43 Ca 0.07 0.00 -0.44 0.00 -1.10 0.00 0.00 59.98 58.51 2jmg h ARG 43 Cb 0.43 0.00 -0.22 0.00 -1.39 0.00 0.00 29.97 28.79 2jmg h ARG 43 CO -0.00 0.31 0.56 1.19 2.80 0.00 0.00 179.97 184.83 2jmg n PHE 44 N -2.96 2.31 -1.77 2.20 3.01 0.38 -4.83 117.46 115.79 2jmg n PHE 44 Ca -0.05 -1.96 -0.12 0.00 1.01 0.00 0.00 57.45 56.33 2jmg n PHE 44 Cb 0.78 -0.97 -0.03 0.00 -0.01 0.00 0.00 39.48 39.25 2jmg n PHE 44 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2jmg n ALA 45 N -0.50 -0.42 -3.78 4.37 0.00 -1.17 -4.91 120.51 114.10 2jmg n ALA 45 Ca 0.45 0.15 -0.34 0.00 0.00 0.00 0.00 53.44 53.70 2jmg n ALA 45 Cb 1.01 -1.33 -0.15 0.00 0.00 0.00 0.00 19.45 18.99 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 -2.22 2.76 0.30 0.00 1.01 -0.00 -5.03 120.40 117.22 2jmg s VAL 46 Ca 0.00 -1.00 -0.29 0.00 0.00 0.00 0.00 61.98 60.68 2jmg s VAL 46 Cb 0.00 -2.37 -0.10 0.00 0.00 0.00 0.00 36.38 33.91 2jmg s VAL 46 CO 0.00 0.25 1.43 0.20 0.00 0.00 0.00 175.10 176.98 2jmg s ASN 47 N 1.32 6.61 0.00 3.32 -0.87 -1.26 -2.45 114.94 121.61 2jmg s ASN 47 Ca 0.01 2.76 0.15 0.00 -1.57 0.00 0.00 52.86 54.21 2jmg s ASN 47 Cb -0.16 -2.64 0.81 0.00 -0.02 0.00 0.00 41.25 39.24 2jmg s ASN 47 CO -0.06 -0.70 1.40 -0.81 -2.57 0.00 0.00 177.10 174.36 2jmg n PRO 48 N 1.60 0.29 0.00 -0.60 -0.04 -1.26 -2.75 135.00 132.25 2jmg n PRO 48 Ca 0.04 0.10 0.12 0.00 -0.04 0.00 0.00 63.50 63.72 2jmg n PRO 48 Cb 0.40 -1.50 0.71 0.00 -0.04 0.00 0.00 33.50 33.07 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 -0.02 -0.90 0.16 0.55 0.00 -1.26 -2.96 105.19 100.75 2jmg n GLY 49 Ca 0.08 -0.15 0.12 0.00 0.00 0.00 0.00 46.02 46.07 2jmg n GLY 49 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2jmg h LEU 50 N 0.00 0.00 0.00 0.99 3.38 -1.87 -3.25 115.31 114.55 2jmg h LEU 50 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2jmg h LEU 50 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2jmg h LEU 50 CO 0.00 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.71 2jmg n LEU 51 N -2.85 0.00 -2.65 1.67 4.77 -1.16 -2.65 117.00 114.14 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 0.54 -0.33 0.04 0.00 -2.33 0.00 0.00 43.42 41.34 2jmg n LEU 51 CO 0.38 -0.07 1.25 -1.84 -1.33 0.00 0.00 177.39 175.78 2jmg n GLU 52 N -1.33 2.89 -3.37 3.23 0.28 -1.23 -4.88 120.64 116.22 2jmg n GLU 52 Ca 0.10 -3.64 0.03 0.00 -0.16 0.00 0.00 57.16 53.49 2jmg n GLU 52 Cb 0.21 -2.27 -0.05 0.00 1.43 0.00 0.00 31.44 30.76 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 -5.05 -0.05 0.39 3.84 -1.32 -1.22 -4.97 115.64 107.25 2jmg s THR 53 Ca 0.55 0.00 0.14 0.00 -1.21 0.00 0.00 61.69 61.17 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 -0.26 0.00 1.85 -1.28 -2.21 0.00 0.00 174.62 172.73 2jmg h SER 54 N 6.32 0.51 1.27 8.08 0.87 -1.90 0.32 113.55 129.02 2jmg h SER 54 Ca -0.19 0.05 -0.12 0.00 -1.23 0.00 0.00 61.79 60.31 2jmg h SER 54 Cb 1.14 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 63.04 2jmg h SER 54 CO 0.13 0.21 -0.55 -0.33 -0.53 0.00 0.00 176.83 175.77 2jmg h GLU 55 N 0.51 0.00 -0.22 2.24 5.08 -1.95 -3.26 114.58 116.97 2jmg h GLU 55 Ca 0.47 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.74 2jmg h GLU 55 Cb 1.03 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.27 2jmg h GLU 55 CO -0.21 0.55 -0.24 0.78 -1.00 0.00 0.00 179.01 178.89 2jmg h GLY 56 N 3.08 0.61 0.74 -3.84 0.00 -0.56 -2.84 103.07 100.27 2jmg h GLY 56 Ca -0.01 -0.63 -0.03 0.00 0.00 0.00 0.00 47.33 46.66 2jmg h GLY 56 CO 0.07 0.57 -0.41 0.00 0.00 0.00 0.00 176.54 176.77 2jmg h ARG 58 N -1.07 0.48 -0.91 0.00 2.43 -1.67 0.37 114.38 114.01 2jmg h ARG 58 Ca -0.10 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.04 2jmg h ARG 58 Cb 0.84 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 30.24 2jmg h ARG 58 CO 0.13 0.31 0.56 0.37 -1.51 0.00 0.00 179.97 179.84 2jmg h GLN 59 N 0.49 1.23 -0.19 0.20 4.15 -1.23 -2.77 115.11 117.00 2jmg h GLN 59 Ca 0.66 -0.11 -0.01 0.00 0.77 0.00 0.00 58.65 59.97 2jmg h GLN 59 Cb 1.34 -0.26 -0.01 0.00 0.21 0.00 0.00 27.48 28.76 2jmg h GLN 59 CO -0.52 0.85 0.07 0.82 -1.93 0.00 0.00 178.83 178.13 2jmg h ILE 60 N 1.25 1.16 -0.55 2.39 2.04 0.40 -2.44 117.51 121.76 2jmg h ILE 60 Ca 0.33 -0.49 0.16 0.00 1.00 0.00 0.00 64.86 65.86 2jmg h ILE 60 Cb -0.07 1.14 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 2jmg h ILE 60 CO -0.06 0.16 0.43 -0.07 0.00 0.00 0.00 178.15 178.61 2jmg h LEU 61 N 0.15 0.00 -1.28 1.44 3.38 -1.13 0.15 115.31 118.02 2jmg h LEU 61 Ca 0.06 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 2jmg h LEU 61 Cb 0.18 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2jmg h LEU 61 CO -0.00 0.00 -0.33 1.23 0.09 0.00 0.00 178.44 179.43 2jmg h GLY 62 N 0.00 0.06 0.33 0.83 0.00 -1.20 0.46 103.07 103.56 2jmg h GLY 62 Ca 0.26 -0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.53 2jmg h GLY 62 CO -0.00 0.05 -0.02 1.46 0.00 0.00 0.00 176.54 178.02 2jmg h GLN 63 N 0.05 0.02 0.00 4.80 4.20 -0.73 -3.26 115.11 120.19 2jmg h GLN 63 Ca 0.01 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.67 2jmg h GLN 63 Cb 0.61 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.39 2jmg h GLN 63 CO 0.04 0.70 -0.12 -0.07 -0.67 0.00 0.00 178.83 178.71 2jmg h LEU 64 N -0.66 0.00 -0.26 1.46 3.38 -1.48 -3.33 115.31 114.42 2jmg h LEU 64 Ca -0.00 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.00 2jmg h LEU 64 Cb 0.71 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.39 2jmg h LEU 64 CO 0.00 0.12 -0.49 1.56 0.09 0.00 0.00 178.44 179.72 2jmg h GLN 65 N 0.00 -0.41 0.00 1.13 4.20 -0.11 0.50 115.11 120.41 2jmg h GLN 65 Ca -0.00 0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.74 2jmg h GLN 65 Cb 0.92 0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.79 2jmg h GLN 65 CO 0.02 -0.28 0.00 -0.35 -0.67 0.00 0.00 178.83 177.55 2jmg n PRO 66 N -5.10 0.49 -0.00 1.46 -0.04 -1.25 -1.88 135.00 128.68 2jmg n PRO 66 Ca -0.04 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.47 2jmg n PRO 66 Cb 0.32 -1.48 -0.07 0.00 -0.04 0.00 0.00 33.50 32.23 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 -0.98 1.07 0.11 3.54 7.64 0.12 -4.50 113.62 120.61 2jmg n SER 67 Ca 0.11 -0.54 0.05 0.00 1.01 0.00 0.00 58.87 59.50 2jmg n SER 67 Cb 0.05 1.15 0.48 0.00 -1.01 0.00 0.00 64.21 64.88 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 0.27 -0.89 -3.43 3.38 0.49 0.16 115.31 115.28 2jmg h LEU 68 Ca 0.00 -0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.07 2jmg h LEU 68 Cb 0.33 -0.07 -0.08 0.00 0.09 0.00 0.00 40.66 40.93 2jmg h LEU 68 CO 0.00 0.25 0.52 -0.61 0.09 0.00 0.00 178.44 178.69 2jmg h GLN 69 N 0.31 0.81 -1.08 1.13 4.15 -1.79 -3.13 115.11 115.50 2jmg h GLN 69 Ca 0.08 -0.05 -0.41 0.00 0.77 0.00 0.00 58.65 59.04 2jmg h GLN 69 Cb 0.06 -0.18 -0.41 0.00 0.21 0.00 0.00 27.48 27.16 2jmg h GLN 69 CO -0.01 0.53 -1.06 0.25 -1.93 0.00 0.00 178.83 176.61 2jmg n THR 70 N -4.72 1.40 -4.09 2.39 -2.24 -0.86 -5.09 114.28 101.08 2jmg n THR 70 Ca 0.16 -3.55 -0.35 0.00 -2.27 0.00 0.00 64.05 58.04 2jmg n THR 70 Cb 0.34 0.18 -0.07 0.00 -2.10 0.00 0.00 70.33 68.67 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 2.03 1.13 3.38 0.00 0.49 -5.04 107.32 106.03 2jmg s GLY 71 Ca 0.33 -0.75 -0.16 0.00 0.00 0.00 0.00 44.72 44.15 2jmg s GLY 71 CO -0.02 -0.53 1.08 -1.35 0.00 0.00 0.00 173.10 172.27 2jmg s SER 72 N -1.17 1.48 0.66 1.64 1.04 -1.26 -4.81 113.70 111.27 2jmg s SER 72 Ca 0.17 1.00 0.44 0.00 0.48 0.00 0.00 55.95 58.04 2jmg s SER 72 Cb -0.12 -1.53 2.40 0.00 0.10 0.00 0.00 66.02 66.87 2jmg s SER 72 CO 0.06 -3.82 2.36 -0.33 0.98 0.00 0.00 173.24 172.49 2jmg h GLU 73 N -2.37 0.00 0.14 4.02 5.08 -2.00 -2.48 114.58 116.98 2jmg h GLU 73 Ca -0.52 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.83 2jmg h GLU 73 Cb 1.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.57 2jmg h GLU 73 CO 0.47 0.00 -0.07 0.93 -1.00 0.00 0.00 179.01 179.34 2jmg h GLU 74 N 0.00 -0.19 -0.67 2.33 3.07 -2.01 -2.87 114.58 114.24 2jmg h GLU 74 Ca 0.00 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 2jmg h GLU 74 Cb 0.02 0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 27.94 2jmg h GLU 74 CO 0.00 0.18 0.43 1.25 -1.40 0.00 0.00 179.01 179.46 2jmg h LEU 75 N -0.59 0.78 -1.62 1.33 6.46 -1.79 -1.64 115.31 118.25 2jmg h LEU 75 Ca -0.02 -0.03 -0.00 0.00 -0.12 0.00 0.00 57.88 57.71 2jmg h LEU 75 Cb 0.45 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 40.17 2jmg h LEU 75 CO 0.03 0.58 0.22 0.03 -0.62 0.00 0.00 178.44 178.68 2jmg h ARG 76 N 0.92 0.47 0.00 1.25 2.47 -1.48 -0.47 114.38 117.53 2jmg h ARG 76 Ca 0.24 -0.03 -0.12 0.00 -1.26 0.00 0.00 59.98 58.81 2jmg h ARG 76 Cb -0.08 -0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 28.13 2jmg h ARG 76 CO -0.05 0.32 -0.56 0.77 0.56 0.00 0.00 179.97 181.02 2jmg h SER 77 N 0.48 0.00 0.05 7.04 0.02 -1.07 -2.94 113.55 117.13 2jmg h SER 77 Ca 0.13 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.07 2jmg h SER 77 Cb -0.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.51 2jmg h SER 77 CO -0.03 0.56 -0.03 -0.07 -1.14 0.00 0.00 176.83 176.13 2jmg h LEU 78 N 0.00 -0.06 -0.77 5.07 -0.00 -1.07 -3.27 115.31 115.21 2jmg h LEU 78 Ca -0.01 -0.32 0.17 0.00 -0.00 0.00 0.00 57.88 57.73 2jmg h LEU 78 Cb 1.00 0.02 -0.14 0.00 -0.00 0.00 0.00 40.66 41.53 2jmg h LEU 78 CO 0.07 0.58 -0.06 0.22 -0.00 0.00 0.00 178.44 179.25 2jmg h TYR 79 N -0.99 -0.17 0.00 1.13 3.20 -1.22 0.28 116.97 119.20 2jmg h TYR 79 Ca -0.01 0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.92 2jmg h TYR 79 Cb 0.38 0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.84 2jmg h TYR 79 CO 0.09 -0.28 0.00 0.09 -1.64 0.00 0.00 178.16 176.42 2jmg n ASN 80 N -5.41 0.00 -0.03 -2.11 4.13 -1.11 -0.96 115.26 109.77 2jmg n ASN 80 Ca 0.13 0.92 -0.13 0.00 1.68 0.00 0.00 54.58 57.18 2jmg n ASN 80 Cb 0.46 -0.42 -0.08 0.00 -1.54 0.00 0.00 39.78 38.20 2jmg n ASN 80 CO 0.00 0.00 0.00 0.74 0.28 0.00 0.00 177.26 178.28 2jmg h THR 81 N 0.00 0.06 -0.98 3.41 2.02 -1.50 0.11 112.91 116.02 2jmg h THR 81 Ca 0.00 0.00 0.23 0.00 0.77 0.00 0.00 66.41 67.41 2jmg h THR 81 Cb 0.00 0.06 -0.18 0.00 -1.74 0.00 0.00 68.15 66.29 2jmg h THR 81 CO 0.00 0.00 -0.12 0.40 0.37 0.00 0.00 175.52 176.17 2jmg h ILE 82 N -0.51 0.03 -0.33 3.11 2.04 -0.86 1.15 117.51 122.13 2jmg h ILE 82 Ca 0.06 -0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.81 2jmg h ILE 82 Cb 0.65 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.74 2jmg h ILE 82 CO -0.46 0.00 -0.25 0.00 0.00 0.00 0.00 178.15 177.44 2jmg h ALA 83 N 1.98 0.95 0.00 1.87 0.00 0.16 -2.24 119.26 121.98 2jmg h ALA 83 Ca 0.52 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 2jmg h ALA 83 Cb 0.94 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2jmg h ALA 83 CO -0.96 0.61 -0.37 0.28 0.00 0.00 0.00 179.25 178.80 2jmg h VAL 84 N 0.57 1.00 0.04 0.00 2.07 0.30 -3.11 116.25 117.11 2jmg h VAL 84 Ca 0.08 -1.42 -0.22 0.00 0.82 0.00 0.00 66.70 65.95 2jmg h VAL 84 Cb 0.73 1.83 0.02 0.00 -1.52 0.00 0.00 31.29 32.35 2jmg h VAL 84 CO 0.06 0.37 -0.90 0.25 0.02 0.00 0.00 177.57 177.37 2jmg h LEU 85 N 0.00 0.72 -0.94 2.57 5.85 0.21 -3.19 115.31 120.53 2jmg h LEU 85 Ca -0.00 -0.78 0.22 0.00 0.84 0.00 0.00 57.88 58.15 2jmg h LEU 85 Cb 0.80 -0.22 -0.12 0.00 0.37 0.00 0.00 40.66 41.49 2jmg h LEU 85 CO 0.05 1.42 0.50 0.22 -0.34 0.00 0.00 178.44 180.29 2jmg h TYR 86 N 0.11 0.86 -0.01 1.25 3.20 -1.34 0.44 116.97 121.48 2jmg h TYR 86 Ca -0.12 0.04 -0.11 0.00 3.14 0.00 0.00 58.73 61.67 2jmg h TYR 86 Cb 1.59 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 39.62 2jmg h TYR 86 CO 0.13 0.06 -0.53 0.00 -1.64 0.00 0.00 178.16 176.18 2jmg h VAL 88 N 0.03 1.21 0.00 0.00 2.07 -0.12 0.35 116.25 119.80 2jmg h VAL 88 Ca -0.00 -0.96 -0.13 0.00 0.82 0.00 0.00 66.70 66.42 2jmg h VAL 88 Cb 0.95 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.95 2jmg h VAL 88 CO 0.07 0.30 -1.38 1.41 0.02 0.00 0.00 177.57 177.99 2jmg n HIS 89 N -4.22 0.92 0.99 1.57 -0.00 -0.83 -3.89 115.22 109.77 2jmg n HIS 89 Ca -0.00 0.30 0.06 0.00 -0.00 0.00 0.00 57.72 58.07 2jmg n HIS 89 Cb 0.31 -1.04 0.17 0.00 -0.00 0.00 0.00 29.99 29.44 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 -2.81 1.75 -3.11 -0.41 6.02 -0.58 -4.90 117.38 113.34 2jmg n GLN 90 Ca -0.08 -1.16 -0.13 0.00 -0.01 0.00 0.00 57.00 55.61 2jmg n GLN 90 Cb 0.78 -1.27 0.07 0.00 1.02 0.00 0.00 30.24 30.84 2jmg n GLN 90 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2jmg n ARG 91 N 0.44 -4.68 -4.77 -1.09 3.00 -0.96 -5.03 116.66 103.56 2jmg n ARG 91 Ca 0.12 0.69 -0.25 0.00 -0.01 0.00 0.00 57.85 58.39 2jmg n ARG 91 Cb 0.28 -5.17 -0.16 0.00 0.00 0.00 0.00 32.46 27.41 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 1.35 -0.25 0.55 1.01 0.12 -5.04 121.20 115.64 2jmg s ILE 92 Ca 0.07 -0.66 -0.03 0.00 0.00 0.00 0.00 60.65 60.03 2jmg s ILE 92 Cb -0.01 -1.17 0.01 0.00 0.01 0.00 0.00 42.46 41.31 2jmg s ILE 92 CO 0.59 0.39 -0.03 -0.62 0.00 0.00 0.00 174.94 175.27 2jmg s ASP 93 N 0.14 4.45 0.04 3.58 -1.08 -1.26 -4.22 116.67 118.32 2jmg s ASP 93 Ca -0.05 -0.68 0.00 0.00 -0.52 0.00 0.00 52.55 51.30 2jmg s ASP 93 Cb -0.12 -1.73 -0.04 0.00 -1.46 0.00 0.00 42.92 39.57 2jmg s ASP 93 CO 0.02 -0.10 0.14 0.68 0.52 0.00 0.00 175.17 176.43 2jmg s VAL 94 N 1.41 5.01 -0.10 1.11 -7.23 -1.26 -4.99 120.40 114.35 2jmg s VAL 94 Ca 0.03 -0.47 0.30 0.00 -1.81 0.00 0.00 61.98 60.02 2jmg s VAL 94 Cb -0.16 -3.39 0.33 0.00 0.56 0.00 0.00 36.38 33.72 2jmg s VAL 94 CO -0.03 0.20 1.89 0.07 -0.31 0.00 0.00 175.10 176.92 2jmg h LYS 95 N 3.45 0.00 0.00 4.82 2.10 -1.95 -3.42 116.57 121.56 2jmg h LYS 95 Ca -0.47 0.00 0.30 0.00 -2.00 0.00 0.00 60.65 58.48 2jmg h LYS 95 Cb 1.17 0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 32.44 2jmg h LYS 95 CO 0.69 0.00 0.81 -0.40 -2.00 0.00 0.00 179.45 178.55 2jmg n ASP 96 N -2.69 -1.22 0.11 7.07 5.68 -1.26 -4.43 116.55 119.81 2jmg n ASP 96 Ca 0.01 -1.34 0.10 0.00 -0.50 0.00 0.00 54.79 53.06 2jmg n ASP 96 Cb 0.23 1.91 0.46 0.00 -1.14 0.00 0.00 41.12 42.58 2jmg n ASP 96 CO 0.00 0.00 0.00 0.41 -1.33 0.00 0.00 177.20 176.28 2jmg n THR 97 N -0.84 1.01 -0.06 2.12 -1.04 -0.95 -2.96 114.28 111.55 2jmg n THR 97 Ca 0.03 0.40 -0.03 0.00 -2.04 0.00 0.00 64.05 62.42 2jmg n THR 97 Cb 0.55 -1.34 -0.01 0.00 -1.82 0.00 0.00 70.33 67.71 2jmg n THR 97 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 2jmg h LYS 98 N 0.00 0.00 -0.68 -2.82 3.64 -1.89 -3.34 116.57 111.48 2jmg h LYS 98 Ca 0.00 0.00 0.20 0.00 -1.27 0.00 0.00 60.65 59.58 2jmg h LYS 98 Cb 0.22 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.01 2jmg h LYS 98 CO 0.00 0.08 0.68 1.49 -2.27 0.00 0.00 179.45 179.42 2jmg h GLU 99 N -1.00 0.00 -0.03 1.90 4.57 -1.93 0.35 114.58 118.44 2jmg h GLU 99 Ca -0.01 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.17 2jmg h GLU 99 Cb 0.24 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.83 2jmg h GLU 99 CO -0.01 0.00 0.02 0.00 -1.18 0.00 0.00 179.01 177.84 2jmg h ALA 100 N 1.29 0.04 0.27 2.92 0.00 -1.65 -1.94 119.26 120.19 2jmg h ALA 100 Ca 0.32 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.22 2jmg h ALA 100 Cb 1.68 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.42 2jmg h ALA 100 CO -0.00 -0.44 -0.41 -0.07 0.00 0.00 0.00 179.25 178.32 2jmg h LEU 101 N 0.01 -1.16 0.00 0.00 -0.00 -1.05 0.15 115.31 113.25 2jmg h LEU 101 Ca 0.01 0.11 0.00 0.00 -0.00 0.00 0.00 57.88 58.01 2jmg h LEU 101 Cb 0.03 0.41 0.00 0.00 -0.00 0.00 0.00 40.66 41.10 2jmg h LEU 101 CO -0.00 -0.52 0.00 0.47 -0.00 0.00 0.00 178.44 178.38 2jmg n ASP 102 N -5.48 0.00 -0.10 -0.43 8.00 -1.19 -1.89 116.55 115.46 2jmg n ASP 102 Ca -0.09 0.41 -0.17 0.00 0.71 0.00 0.00 54.79 55.65 2jmg n ASP 102 Cb 0.39 -0.42 -0.09 0.00 -0.02 0.00 0.00 41.12 40.98 2jmg n ASP 102 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2jmg n LYS 103 N -1.42 0.53 0.09 -1.24 4.01 0.31 -3.48 118.16 116.96 2jmg n LYS 103 Ca 0.01 0.55 0.04 0.00 -0.51 0.00 0.00 58.31 58.39 2jmg n LYS 103 Cb 0.02 -1.72 0.44 0.00 -0.51 0.00 0.00 35.03 33.26 2jmg n LYS 103 CO 0.00 0.00 0.00 0.82 -1.11 0.00 0.00 177.40 177.11 2jmg h ILE 104 N -1.00 1.12 -0.10 -0.18 2.04 -0.57 -2.68 117.51 116.14 2jmg h ILE 104 Ca -0.26 -0.41 -0.02 0.00 1.00 0.00 0.00 64.86 65.16 2jmg h ILE 104 Cb 1.09 0.87 -0.00 0.00 -0.74 0.00 0.00 36.82 38.03 2jmg h ILE 104 CO -0.16 0.15 -0.03 -0.08 0.00 0.00 0.00 178.15 178.02 2jmg h GLU 105 N 0.34 0.20 -0.69 2.37 4.22 -1.56 -3.01 114.58 116.45 2jmg h GLU 105 Ca 0.08 -0.08 0.10 0.00 0.08 0.00 0.00 59.36 59.55 2jmg h GLU 105 Cb 0.13 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.33 2jmg h GLU 105 CO -0.00 0.53 0.46 1.49 -2.18 0.00 0.00 179.01 179.31 2jmg h GLU 106 N -0.14 0.52 0.00 1.92 4.22 -1.52 0.12 114.58 119.71 2jmg h GLU 106 Ca 0.02 -0.03 -0.03 0.00 0.08 0.00 0.00 59.36 59.41 2jmg h GLU 106 Cb 0.46 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 2jmg h GLU 106 CO 0.01 0.34 -0.13 1.49 -2.18 0.00 0.00 179.01 178.55 2jmg h GLU 107 N 0.54 0.00 0.00 1.92 4.57 -1.35 -2.04 114.58 118.21 2jmg h GLU 107 Ca 0.32 0.00 -0.18 0.00 -1.18 0.00 0.00 59.36 58.32 2jmg h GLU 107 Cb 0.54 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.10 2jmg h GLU 107 CO -0.11 0.13 -0.87 0.37 -1.18 0.00 0.00 179.01 177.35 2jmg h GLN 108 N 0.00 0.00 -0.55 1.92 -0.00 -0.72 -3.23 115.11 112.53 2jmg h GLN 108 Ca -0.00 0.00 0.08 0.00 -0.00 0.00 0.00 58.65 58.73 2jmg h GLN 108 Cb 0.32 0.00 -0.03 0.00 0.00 0.00 0.00 27.48 27.76 2jmg h GLN 108 CO 0.02 0.87 0.37 -0.97 0.00 0.00 0.00 178.83 179.12 2jmg h ASN 109 N 0.00 0.38 0.59 -0.69 -1.24 -1.14 -0.05 115.58 113.43 2jmg h ASN 109 Ca -0.01 0.00 -0.13 0.00 0.71 0.00 0.00 56.30 56.88 2jmg h ASN 109 Cb 1.59 -0.08 -0.02 0.00 0.73 0.00 0.00 38.32 40.54 2jmg h ASN 109 CO 0.11 0.24 -0.61 0.50 -1.29 0.00 0.00 177.43 176.39 2jmg h LYS 110 N 0.43 0.02 -0.90 6.67 3.64 -1.62 -2.95 116.57 121.87 2jmg h LYS 110 Ca 0.25 -0.01 -0.31 0.00 -1.27 0.00 0.00 60.65 59.30 2jmg h LYS 110 Cb 0.40 0.00 -0.19 0.00 -0.41 0.00 0.00 32.23 32.04 2jmg h LYS 110 CO -0.07 0.62 0.40 0.43 -2.27 0.00 0.00 179.45 178.57 2jmg n SER 111 N -3.82 4.02 0.08 4.20 7.64 -0.07 -4.36 113.62 121.31 2jmg n SER 111 Ca -0.01 -3.19 -0.05 0.00 1.01 0.00 0.00 58.87 56.62 2jmg n SER 111 Cb 0.61 -0.75 0.11 0.00 -1.01 0.00 0.00 64.21 63.17 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 1.55 0.24 0.00 1.43 3.64 -1.28 -2.78 116.57 119.37 2jmg h LYS 112 Ca 0.39 -0.17 -0.12 0.00 -1.27 0.00 0.00 60.65 59.48 2jmg h LYS 112 Cb 2.35 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 34.18 2jmg h LYS 112 CO 0.79 0.78 -0.55 0.87 -2.27 0.00 0.00 179.45 179.07 2jmg h LYS 113 N 0.17 0.00 0.00 1.90 6.56 -1.84 -2.88 116.57 120.49 2jmg h LYS 113 Ca -0.01 0.00 -0.11 0.00 -1.06 0.00 0.00 60.65 59.47 2jmg h LYS 113 Cb 1.13 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.78 2jmg h LYS 113 CO 0.10 0.55 -0.51 -0.22 -2.06 0.00 0.00 179.45 177.31 2jmg h LYS 114 N 0.00 0.00 -0.62 3.15 1.63 -1.83 -3.21 116.57 115.69 2jmg h LYS 114 Ca -0.01 0.00 -0.38 0.00 -0.85 0.00 0.00 60.65 59.41 2jmg h LYS 114 Cb 1.17 0.00 -0.23 0.00 -0.60 0.00 0.00 32.23 32.57 2jmg h LYS 114 CO 0.07 0.51 0.01 0.00 -3.45 0.00 0.00 179.45 176.59 2jmg n ALA 115 N -2.27 4.98 0.25 5.00 0.00 -1.06 -4.68 120.51 122.72 2jmg n ALA 115 Ca 0.01 -3.33 0.13 0.00 0.00 0.00 0.00 53.44 50.25 2jmg n ALA 115 Cb 0.67 -0.91 0.78 0.00 0.00 0.00 0.00 19.45 19.99 2jmg n ALA 115 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 2jmg h GLN 116 N 1.43 0.00 -0.58 0.00 3.07 -1.51 -1.24 115.11 116.28 2jmg h GLN 116 Ca 0.37 0.00 0.07 0.00 0.09 0.00 0.00 58.65 59.17 2jmg h GLN 116 Cb 1.61 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 29.13 2jmg h GLN 116 CO 0.76 0.00 0.39 0.37 0.09 0.00 0.00 178.83 180.44 2jmg h GLN 117 N 0.00 0.51 0.07 0.06 4.15 -1.89 -2.13 115.11 115.88 2jmg h GLN 117 Ca 0.03 -0.03 -0.31 0.00 0.77 0.00 0.00 58.65 59.11 2jmg h GLN 117 Cb 0.15 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 27.70 2jmg h GLN 117 CO -0.00 0.34 -1.68 0.00 -1.93 0.00 0.00 178.83 175.56 2jmg h ALA 118 N 1.69 0.50 -0.72 3.38 0.00 -1.63 -3.36 119.26 119.13 2jmg h ALA 118 Ca 0.25 -1.30 -0.54 0.00 0.00 0.00 0.00 54.91 53.32 2jmg h ALA 118 Cb 0.33 0.44 -0.21 0.00 0.00 0.00 0.00 17.79 18.34 2jmg h ALA 118 CO -0.07 1.36 0.64 0.00 0.00 0.00 0.00 179.25 181.18 2jmg n ALA 119 N -2.69 6.07 -2.18 0.00 0.00 -0.85 -4.29 120.51 116.57 2jmg n ALA 119 Ca -0.19 -2.96 -0.01 0.00 0.00 0.00 0.00 53.44 50.27 2jmg n ALA 119 Cb 1.04 -1.81 0.09 0.00 0.00 0.00 0.00 19.45 18.76 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 0.03 3.30 -2.45 0.00 0.00 -0.92 -4.78 120.51 115.68 2jmg n ALA 120 Ca 0.48 -2.99 -0.09 0.00 0.00 0.00 0.00 53.44 50.84 2jmg n ALA 120 Cb 0.52 -0.56 0.04 0.00 0.00 0.00 0.00 19.45 19.45 2jmg n ALA 120 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2jmg n ASP 121 N -0.44 2.84 -4.34 0.00 -0.08 -1.26 -5.01 116.55 108.26 2jmg n ASP 121 Ca 0.17 -2.76 -0.46 0.00 -1.51 0.00 0.00 54.79 50.23 2jmg n ASP 121 Cb 0.91 -0.42 -0.04 0.00 2.34 0.00 0.00 41.12 43.91 2jmg n ASP 121 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 2jmg s THR 122 N -3.88 5.24 0.00 5.18 -4.23 -1.26 -4.98 115.64 111.70 2jmg s THR 122 Ca 0.37 -1.76 0.00 0.00 -1.18 0.00 0.00 61.69 59.12 2jmg s THR 122 Cb 0.36 -4.46 0.00 0.00 1.34 0.00 0.00 72.50 69.74 2jmg s THR 122 CO -0.02 -1.04 0.00 0.61 -0.54 0.00 0.00 174.62 173.63 2jmg n GLY 123 N 4.80 0.58 2.69 3.99 0.00 -1.26 -5.11 105.19 110.88 2jmg n GLY 123 Ca 0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 2jmg n GLY 123 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2jmg s ASN 124 N -0.83 1.82 -0.13 1.61 2.47 -1.26 -5.13 114.94 113.49 2jmg s ASN 124 Ca 0.00 -0.41 -0.21 0.00 0.42 0.00 0.00 52.86 52.66 2jmg s ASN 124 Cb 0.00 0.11 -0.03 0.00 -1.45 0.00 0.00 41.25 39.88 2jmg s ASN 124 CO 0.00 -0.34 0.61 0.20 -3.72 0.00 0.00 177.10 173.85 2jmg s ASN 125 N 2.24 6.80 -1.01 -4.21 0.01 -1.26 -5.01 114.94 112.50 2jmg s ASN 125 Ca 0.05 0.96 -0.05 0.00 -0.71 0.00 0.00 52.86 53.11 2jmg s ASN 125 Cb -0.16 -2.35 0.26 0.00 0.41 0.00 0.00 41.25 39.41 2jmg s ASN 125 CO -0.11 -0.14 1.02 -1.20 -1.51 0.00 0.00 177.10 175.16 2jmg n SER 126 N 4.19 5.04 -3.69 -1.22 7.64 -1.26 -4.98 113.62 119.34 2jmg n SER 126 Ca -0.03 -3.15 -0.02 0.00 1.01 0.00 0.00 58.87 56.69 2jmg n SER 126 Cb 0.51 -1.20 -0.01 0.00 -1.01 0.00 0.00 64.21 62.50 2jmg n SER 126 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 2jmg s GLN 127 N -1.59 0.85 -0.04 1.43 0.74 -1.26 -5.17 119.66 114.61 2jmg s GLN 127 Ca 0.30 -0.46 0.06 0.00 0.05 0.00 0.00 55.36 55.31 2jmg s GLN 127 Cb -0.06 0.29 -0.01 0.00 1.10 0.00 0.00 33.01 34.34 2jmg s GLN 127 CO -0.07 -0.39 -0.22 0.54 -0.55 0.00 0.00 175.29 174.60 2jmg s VAL 128 N -2.92 1.78 -0.27 1.34 0.11 -1.26 -5.11 120.40 114.08 2jmg s VAL 128 Ca 0.13 -0.93 -0.03 0.00 -2.93 0.00 0.00 61.98 58.22 2jmg s VAL 128 Cb 0.01 -1.51 0.11 0.00 -1.53 0.00 0.00 36.38 33.46 2jmg s VAL 128 CO -0.01 0.50 0.19 -0.55 -3.33 0.00 0.00 175.10 171.91 2jmg s SER 129 N -0.18 2.61 0.19 3.54 0.15 -1.26 -5.13 113.70 113.62 2jmg s SER 129 Ca -0.01 -0.95 -0.30 0.00 0.70 0.00 0.00 55.95 55.39 2jmg s SER 129 Cb -0.12 0.02 -0.08 0.00 -1.71 0.00 0.00 66.02 64.14 2jmg s SER 129 CO 0.02 -0.41 1.03 0.00 1.20 0.00 0.00 173.24 175.09 2jmg s GLN 130 N 2.21 4.68 -0.07 5.44 -2.07 -1.26 -4.95 119.66 123.64 2jmg s GLN 130 Ca 0.08 1.62 -0.01 0.00 -1.82 0.00 0.00 55.36 55.23 2jmg s GLN 130 Cb -0.15 -3.29 -0.04 0.00 -1.09 0.00 0.00 33.01 28.44 2jmg s GLN 130 CO -0.31 0.22 -0.07 0.09 -1.32 0.00 0.00 175.29 173.89 2jmg n ASN 131 N 2.14 2.42 0.00 12.60 3.02 -1.26 -5.37 115.26 128.81 2jmg n ASN 131 Ca 0.01 0.01 0.11 0.00 -0.03 0.00 0.00 54.58 54.68 2jmg n ASN 131 Cb 0.47 -0.15 0.65 0.00 -0.61 0.00 0.00 39.78 40.14 2jmg n ASN 131 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42