#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 0.31 -0.03 4.61 0.00 -1.26 -5.04 120.51 119.11 2jmg n ALA 3 Ca 0.00 -1.67 -0.12 0.00 0.00 0.00 0.00 53.44 51.64 2jmg n ALA 3 Cb 0.00 0.31 -0.14 0.00 0.00 0.00 0.00 19.45 19.62 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 -2.48 0.67 -0.50 0.00 1.74 -1.26 -4.95 116.66 109.88 2jmg n ARG 4 Ca 0.14 0.25 -0.29 0.00 -0.77 0.00 0.00 57.85 57.18 2jmg n ARG 4 Cb 0.50 -1.74 0.25 0.00 -1.02 0.00 0.00 32.46 30.45 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 -2.71 -2.95 -2.16 7.54 0.00 -1.26 -5.03 120.51 113.94 2jmg n ALA 5 Ca -0.23 -1.17 -0.15 0.00 0.00 0.00 0.00 53.44 51.89 2jmg n ALA 5 Cb 1.06 -1.96 0.10 0.00 0.00 0.00 0.00 19.45 18.65 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 -4.64 0.58 -0.04 0.00 3.41 -1.26 -5.04 113.62 106.63 2jmg n SER 6 Ca 0.03 -1.59 -0.02 0.00 -0.26 0.00 0.00 58.87 57.03 2jmg n SER 6 Cb 0.55 -0.51 -0.08 0.00 -0.26 0.00 0.00 64.21 63.91 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 -2.44 1.92 -1.41 4.33 3.00 -1.26 -5.02 116.66 115.77 2jmg n ARG 7 Ca 0.11 -0.03 -0.32 0.00 -0.00 0.00 0.00 57.85 57.61 2jmg n ARG 7 Cb 0.38 -1.25 0.08 0.00 0.00 0.00 0.00 32.46 31.68 2jmg n ARG 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2jmg s LEU 8 N -4.47 3.19 0.00 6.15 1.43 -1.26 -5.06 118.68 118.67 2jmg s LEU 8 Ca -0.05 2.02 0.01 0.00 -1.03 0.00 0.00 54.13 55.08 2jmg s LEU 8 Cb 0.04 -4.55 -0.00 0.00 0.03 0.00 0.00 46.19 41.71 2jmg s LEU 8 CO 0.40 -2.04 0.03 -1.20 0.23 0.00 0.00 176.35 173.77 2jmg n SER 9 N -3.05 0.74 -0.27 2.29 7.64 -1.26 -4.98 113.62 114.74 2jmg n SER 9 Ca 0.11 -1.34 0.08 0.00 1.01 0.00 0.00 58.87 58.72 2jmg n SER 9 Cb 0.52 0.19 0.22 0.00 -1.01 0.00 0.00 64.21 64.12 2jmg n SER 9 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 2jmg h GLY 10 N 0.27 1.16 0.81 0.23 0.00 -1.98 0.26 103.07 103.83 2jmg h GLY 10 Ca -0.05 -0.07 -0.04 0.00 0.00 0.00 0.00 47.33 47.18 2jmg h GLY 10 CO 0.07 -0.22 -0.49 -1.33 0.00 0.00 0.00 176.54 174.57 2jmg h GLY 11 N 0.30 -1.35 2.00 4.60 0.00 -2.02 -2.14 103.07 104.46 2jmg h GLY 11 Ca 0.46 0.54 -0.00 0.00 0.00 0.00 0.00 47.33 48.33 2jmg h GLY 11 CO -0.53 -0.46 -0.01 -2.09 0.00 0.00 0.00 176.54 173.46 2jmg h GLU 12 N -1.21 0.00 -0.17 4.80 4.57 -1.84 -2.47 114.58 118.26 2jmg h GLU 12 Ca -0.11 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.03 2jmg h GLU 12 Cb 0.97 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.55 2jmg h GLU 12 CO 0.12 0.01 -0.06 -0.07 -1.18 0.00 0.00 179.01 177.83 2jmg h LEU 13 N 0.00 0.35 -0.99 1.64 -0.00 0.10 -0.72 115.31 115.68 2jmg h LEU 13 Ca -0.00 -0.39 0.26 0.00 -0.00 0.00 0.00 57.88 57.75 2jmg h LEU 13 Cb 0.13 -0.10 -0.13 0.00 -0.00 0.00 0.00 40.66 40.56 2jmg h LEU 13 CO 0.00 0.66 0.57 0.44 -0.00 0.00 0.00 178.44 180.11 2jmg h ASP 14 N 0.04 0.61 0.10 -0.43 3.32 -0.91 0.25 116.42 119.40 2jmg h ASP 14 Ca 0.04 0.15 -0.13 0.00 0.02 0.00 0.00 57.03 57.11 2jmg h ASP 14 Cb 0.52 0.06 0.02 0.00 0.22 0.00 0.00 39.33 40.15 2jmg h ASP 14 CO 0.02 0.04 -0.59 0.11 -1.72 0.00 0.00 179.24 177.10 2jmg h LYS 15 N 0.51 0.21 -0.84 3.56 1.57 -1.63 -2.76 116.57 117.19 2jmg h LYS 15 Ca 0.66 -0.36 0.15 0.00 -1.87 0.00 0.00 60.65 59.22 2jmg h LYS 15 Cb 1.31 0.14 -0.06 0.00 0.08 0.00 0.00 32.23 33.69 2jmg h LYS 15 CO -0.51 1.17 0.55 2.35 -0.57 0.00 0.00 179.45 182.44 2jmg h TRP 16 N -0.55 0.68 -0.02 -1.35 2.91 0.17 0.40 115.95 118.19 2jmg h TRP 16 Ca -0.10 0.02 0.00 0.00 1.13 0.00 0.00 58.89 59.93 2jmg h TRP 16 Cb 1.46 -0.21 0.00 0.00 -0.51 0.00 0.00 29.16 29.90 2jmg h TRP 16 CO 0.22 0.25 -0.05 0.39 -1.03 0.00 0.00 178.44 178.23 2jmg n GLU 17 N -4.53 1.60 0.10 2.65 1.02 0.76 -3.84 120.64 118.41 2jmg n GLU 17 Ca 0.16 -0.99 0.01 0.00 -0.02 0.00 0.00 57.16 56.31 2jmg n GLU 17 Cb 0.49 -1.48 -0.02 0.00 -0.02 0.00 0.00 31.44 30.41 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 2.42 0.00 -6.15 3.49 3.64 0.12 -3.42 116.57 116.66 2jmg h LYS 18 Ca 0.00 0.00 -0.57 0.00 -1.27 0.00 0.00 60.65 58.81 2jmg h LYS 18 Cb 0.56 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.33 2jmg h LYS 18 CO 0.00 0.49 0.51 0.42 -2.27 0.00 0.00 179.45 178.61 2jmg s ILE 19 N -2.92 4.81 0.21 2.00 1.09 -1.13 -4.99 121.20 120.27 2jmg s ILE 19 Ca 0.02 1.91 -0.19 0.00 -1.10 0.00 0.00 60.65 61.29 2jmg s ILE 19 Cb 0.08 -4.26 -0.08 0.00 -1.06 0.00 0.00 42.46 37.15 2jmg s ILE 19 CO 0.77 0.01 0.69 -0.13 -0.10 0.00 0.00 174.94 176.19 2jmg s ARG 20 N 2.06 4.20 0.06 2.79 0.52 -1.26 -2.94 118.95 124.38 2jmg s ARG 20 Ca 0.45 0.80 -0.20 0.00 -0.52 0.00 0.00 55.73 56.26 2jmg s ARG 20 Cb -0.18 -2.89 -0.12 0.00 0.52 0.00 0.00 34.95 32.29 2jmg s ARG 20 CO 0.16 0.41 1.42 -0.07 0.02 0.00 0.00 175.30 177.23 2jmg h LEU 21 N 3.44 0.40-10.00 2.53 3.38 -1.03 -1.68 115.31 112.35 2jmg h LEU 21 Ca -0.48 -0.41 -0.49 0.00 0.09 0.00 0.00 57.88 56.59 2jmg h LEU 21 Cb 1.19 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.80 2jmg h LEU 21 CO 0.65 0.72 -0.49 -0.13 0.09 0.00 0.00 178.44 179.28 2jmg s ARG 22 N -4.58 3.10 -0.02 1.13 0.52 -1.26 -3.72 118.95 114.12 2jmg s ARG 22 Ca -0.14 -0.95 -0.25 0.00 -0.52 0.00 0.00 55.73 53.87 2jmg s ARG 22 Cb 0.06 -2.68 -0.20 0.00 0.52 0.00 0.00 34.95 32.66 2jmg s ARG 22 CO 0.75 0.41 1.28 -1.00 0.02 0.00 0.00 175.30 176.76 2jmg h PRO 23 N 1.41 0.04 -0.35 3.54 0.13 -1.91 -3.31 132.00 131.55 2jmg h PRO 23 Ca -0.50 -0.02 -0.08 0.00 -0.87 0.00 0.00 66.00 64.53 2jmg h PRO 23 Cb 1.23 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.32 2jmg h PRO 23 CO 0.61 0.51 0.02 0.41 -0.23 0.00 0.00 178.00 179.32 2jmg n GLY 24 N 0.21 4.27 0.00 1.56 0.00 -1.26 -4.95 105.19 105.02 2jmg n GLY 24 Ca -0.08 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.68 2.48 0.00 -0.02 0.00 -1.25 -5.05 105.19 100.67 2jmg n GLY 25 Ca 0.27 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 44.17 2jmg n GLY 25 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2jmg n LYS 26 N -0.66 -0.20 -2.39 1.61 3.00 -1.26 -4.88 118.16 113.37 2jmg n LYS 26 Ca 0.00 -0.57 -0.34 0.00 -0.00 0.00 0.00 58.31 57.40 2jmg n LYS 26 Cb 0.00 -0.90 -0.02 0.00 0.00 0.00 0.00 35.03 34.11 2jmg n LYS 26 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2jmg s LYS 27 N -0.15 3.60 0.14 1.64 1.02 -1.26 -4.95 119.74 119.78 2jmg s LYS 27 Ca 0.00 1.42 0.03 0.00 0.02 0.00 0.00 55.97 57.44 2jmg s LYS 27 Cb 0.00 -2.06 -0.01 0.00 -0.52 0.00 0.00 37.83 35.24 2jmg s LYS 27 CO 0.00 -0.61 0.11 1.04 -0.92 0.00 0.00 175.35 174.97 2jmg n GLN 28 N -1.20 0.24 -3.67 1.68 3.00 -1.26 -0.47 117.38 115.69 2jmg n GLN 28 Ca 0.10 -1.37 -0.30 0.00 -0.01 0.00 0.00 57.00 55.42 2jmg n GLN 28 Cb 0.52 1.07 -0.04 0.00 0.00 0.00 0.00 30.24 31.79 2jmg n GLN 28 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.06 177.77 2jmg s TYR 29 N -2.51 3.48 0.29 1.08 2.02 -1.15 -4.63 117.35 115.93 2jmg s TYR 29 Ca 0.15 0.48 0.00 0.00 -0.37 0.00 0.00 57.07 57.34 2jmg s TYR 29 Cb 0.01 -1.95 -0.02 0.00 -0.40 0.00 0.00 41.96 39.59 2jmg s TYR 29 CO 0.11 0.41 0.31 0.15 -1.57 0.00 0.00 175.55 174.96 2jmg s LYS 30 N -2.89 1.63 0.50 -0.62 3.01 -1.26 -4.31 119.74 115.80 2jmg s LYS 30 Ca 0.40 -1.76 0.23 0.00 -1.01 0.00 0.00 55.97 53.83 2jmg s LYS 30 Cb -0.12 0.36 1.30 0.00 -1.01 0.00 0.00 37.83 38.36 2jmg s LYS 30 CO 0.26 -0.62 1.98 -0.07 0.51 0.00 0.00 175.35 177.42 2jmg h LEU 31 N 2.28 0.10 -0.79 3.17 3.38 -1.99 -1.64 115.31 119.82 2jmg h LEU 31 Ca -0.29 0.00 0.19 0.00 0.09 0.00 0.00 57.88 57.87 2jmg h LEU 31 Cb 1.24 -0.02 -0.12 0.00 0.09 0.00 0.00 40.66 41.85 2jmg h LEU 31 CO 0.41 0.05 0.17 0.11 0.09 0.00 0.00 178.44 179.28 2jmg h LYS 32 N 0.11 0.22 -0.26 1.13 1.57 -2.00 0.01 116.57 117.34 2jmg h LYS 32 Ca 0.27 -0.01 -0.14 0.00 -1.87 0.00 0.00 60.65 58.90 2jmg h LYS 32 Cb 0.94 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.20 2jmg h LYS 32 CO -0.03 0.15 -0.38 0.45 -0.57 0.00 0.00 179.45 179.07 2jmg h HIS 33 N 0.23 0.89 -0.44 -1.35 3.86 -1.71 -2.58 115.15 114.05 2jmg h HIS 33 Ca 0.46 -0.30 0.05 0.00 -1.16 0.00 0.00 60.37 59.42 2jmg h HIS 33 Cb 0.84 -0.17 -0.04 0.00 1.06 0.00 0.00 27.41 29.10 2jmg h HIS 33 CO -0.29 1.07 0.18 0.82 0.86 0.00 0.00 177.93 180.57 2jmg h ILE 34 N 0.45 0.91 0.81 2.45 2.04 -1.07 0.62 117.51 123.72 2jmg h ILE 34 Ca 0.03 -0.13 -0.04 0.00 1.00 0.00 0.00 64.86 65.72 2jmg h ILE 34 Cb 0.97 0.50 0.01 0.00 -0.74 0.00 0.00 36.82 37.56 2jmg h ILE 34 CO 0.09 0.07 -0.39 0.58 0.00 0.00 0.00 178.15 178.50 2jmg h VAL 35 N 0.37 0.00 -0.77 1.67 2.07 -1.15 0.26 116.25 118.70 2jmg h VAL 35 Ca 0.20 -0.04 0.16 0.00 0.82 0.00 0.00 66.70 67.84 2jmg h VAL 35 Cb 0.16 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 29.82 2jmg h VAL 35 CO -0.18 0.00 0.26 -0.25 0.02 0.00 0.00 177.57 177.42 2jmg h TRP 36 N -1.13 0.43 0.09 1.57 7.01 -1.38 -0.91 115.95 121.63 2jmg h TRP 36 Ca -0.11 0.04 -0.00 0.00 2.11 0.00 0.00 58.89 60.92 2jmg h TRP 36 Cb 0.84 -0.07 0.00 0.00 -2.10 0.00 0.00 29.16 27.83 2jmg h TRP 36 CO 0.04 -0.02 -0.05 0.00 -2.79 0.00 0.00 178.44 175.62 2jmg h ALA 37 N 1.60 -0.13 -0.99 2.65 0.00 -0.77 0.39 119.26 122.01 2jmg h ALA 37 Ca 0.44 -0.12 0.19 0.00 0.00 0.00 0.00 54.91 55.42 2jmg h ALA 37 Cb 0.73 0.05 -0.10 0.00 0.00 0.00 0.00 17.79 18.47 2jmg h ALA 37 CO -0.47 -0.46 0.61 0.77 0.00 0.00 0.00 179.25 179.70 2jmg h SER 38 N -0.34 0.70 0.14 0.00 0.02 0.49 -0.97 113.55 113.58 2jmg h SER 38 Ca -0.01 0.08 -0.19 0.00 -0.84 0.00 0.00 61.79 60.83 2jmg h SER 38 Cb 0.29 -0.04 0.02 0.00 0.14 0.00 0.00 62.40 62.81 2jmg h SER 38 CO 0.02 0.25 -0.85 -0.09 -1.14 0.00 0.00 176.83 175.03 2jmg h ARG 39 N 0.68 0.30 -0.70 3.45 2.43 -1.02 -3.34 114.38 116.18 2jmg h ARG 39 Ca 0.56 -0.52 0.15 0.00 -0.81 0.00 0.00 59.98 59.36 2jmg h ARG 39 Cb 0.97 0.19 -0.11 0.00 -0.42 0.00 0.00 29.97 30.61 2jmg h ARG 39 CO -0.33 1.25 0.14 0.93 -1.51 0.00 0.00 179.97 180.45 2jmg h GLU 40 N -0.36 0.23 -0.99 0.20 3.07 0.71 0.18 114.58 117.62 2jmg h GLU 40 Ca -0.15 -0.01 0.23 0.00 -0.50 0.00 0.00 59.36 58.93 2jmg h GLU 40 Cb 1.66 -0.05 -0.09 0.00 -0.84 0.00 0.00 28.75 29.42 2jmg h GLU 40 CO 0.15 0.16 0.63 -0.07 -1.40 0.00 0.00 179.01 178.48 2jmg h LEU 41 N 0.24 0.52 -1.72 1.33 3.38 -1.33 0.44 115.31 118.18 2jmg h LEU 41 Ca 0.39 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.43 2jmg h LEU 41 Cb 0.65 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 2jmg h LEU 41 CO -0.50 0.15 0.09 -0.08 0.09 0.00 0.00 178.44 178.19 2jmg h GLU 42 N 0.49 0.27 0.00 1.13 4.81 -0.59 -0.80 114.58 119.89 2jmg h GLU 42 Ca 0.56 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.70 2jmg h GLU 42 Cb 1.26 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 2jmg h GLU 42 CO -0.29 0.22 -0.29 -0.09 -0.73 0.00 0.00 179.01 177.83 2jmg h ARG 43 N 0.28 0.00 -1.08 1.92 9.65 -0.11 -3.22 114.38 121.82 2jmg h ARG 43 Ca 0.07 0.00 -0.32 0.00 -1.10 0.00 0.00 59.98 58.63 2jmg h ARG 43 Cb 0.04 0.00 -0.18 0.00 -1.39 0.00 0.00 29.97 28.44 2jmg h ARG 43 CO -0.01 0.29 0.41 1.19 2.80 0.00 0.00 179.97 184.65 2jmg n PHE 44 N -3.19 1.81 -2.30 2.20 3.01 -0.40 -4.84 117.46 113.75 2jmg n PHE 44 Ca 0.02 -1.46 -0.06 0.00 1.01 0.00 0.00 57.45 56.97 2jmg n PHE 44 Cb 0.63 -0.73 -0.01 0.00 -0.01 0.00 0.00 39.48 39.36 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 -0.36 -0.78 -2.45 4.37 0.00 -1.21 -4.90 120.51 115.17 2jmg n ALA 45 Ca 0.35 0.06 -0.26 0.00 0.00 0.00 0.00 53.44 53.59 2jmg n ALA 45 Cb 1.07 -0.99 -0.14 0.00 0.00 0.00 0.00 19.45 19.39 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 -2.21 1.75 0.20 0.00 1.01 -0.68 -5.05 120.40 115.41 2jmg s VAL 46 Ca 0.00 -1.21 -0.30 0.00 0.00 0.00 0.00 61.98 60.47 2jmg s VAL 46 Cb 0.00 -1.51 -0.08 0.00 0.00 0.00 0.00 36.38 34.79 2jmg s VAL 46 CO 0.00 0.25 1.11 0.20 0.00 0.00 0.00 175.10 176.66 2jmg s ASN 47 N -1.14 7.25 0.00 3.32 0.01 -1.26 -3.19 114.94 119.93 2jmg s ASN 47 Ca 0.08 2.14 0.15 0.00 -0.71 0.00 0.00 52.86 54.52 2jmg s ASN 47 Cb -0.09 -2.61 0.71 0.00 0.41 0.00 0.00 41.25 39.67 2jmg s ASN 47 CO 0.02 -0.22 1.42 -0.81 -1.51 0.00 0.00 177.10 176.00 2jmg n PRO 48 N 2.13 0.15 0.00 -0.60 -0.04 -1.26 -2.67 135.00 132.71 2jmg n PRO 48 Ca 0.02 0.18 0.11 0.00 -0.04 0.00 0.00 63.50 63.77 2jmg n PRO 48 Cb 0.46 -1.50 0.65 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 -0.03 -0.92 1.95 0.55 0.00 -1.26 -3.18 105.19 102.29 2jmg n GLY 49 Ca 0.06 -0.14 -0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.87 5.90 -0.00 0.99 4.77 -1.09 -4.04 117.00 122.66 2jmg n LEU 50 Ca 0.16 -3.04 0.03 0.00 -0.03 0.00 0.00 56.01 53.14 2jmg n LEU 50 Cb 0.08 -0.72 -0.04 0.00 -2.33 0.00 0.00 43.42 40.41 2jmg n LEU 50 CO 0.12 0.72 -0.02 0.18 -1.33 0.00 0.00 177.39 177.06 2jmg n LEU 51 N 0.21 0.29 0.04 2.23 4.77 -1.19 -1.71 117.00 121.65 2jmg n LEU 51 Ca 0.35 -0.50 0.08 0.00 -0.03 0.00 0.00 56.01 55.91 2jmg n LEU 51 Cb 1.29 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 42.31 2jmg n LEU 51 CO 0.39 0.07 -0.34 -1.84 -1.33 0.00 0.00 177.39 174.34 2jmg n GLU 52 N -1.15 0.63 -4.50 3.23 0.28 -1.26 -4.89 120.64 112.98 2jmg n GLU 52 Ca 0.01 0.04 -0.34 0.00 -0.16 0.00 0.00 57.16 56.71 2jmg n GLU 52 Cb 0.10 -1.72 -0.11 0.00 1.43 0.00 0.00 31.44 31.15 2jmg n GLU 52 CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 2jmg s THR 53 N -3.27 3.98 0.41 3.84 -4.23 -1.26 -5.00 115.64 110.11 2jmg s THR 53 Ca -0.04 -0.37 0.12 0.00 -1.18 0.00 0.00 61.69 60.23 2jmg s THR 53 Cb 0.10 -2.66 0.32 0.00 1.34 0.00 0.00 72.50 71.61 2jmg s THR 53 CO 0.83 0.59 1.96 -1.28 -0.54 0.00 0.00 174.62 176.18 2jmg h SER 54 N 5.35 0.45 0.60 3.99 0.87 -1.90 0.91 113.55 123.82 2jmg h SER 54 Ca -0.48 0.01 -0.08 0.00 -1.23 0.00 0.00 61.79 60.01 2jmg h SER 54 Cb 1.18 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 63.05 2jmg h SER 54 CO 0.54 0.27 -0.40 -0.33 -0.53 0.00 0.00 176.83 176.38 2jmg h GLU 55 N 0.49 0.00 -0.30 2.24 5.08 -1.94 -3.13 114.58 117.02 2jmg h GLU 55 Ca 0.31 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.59 2jmg h GLU 55 Cb 0.54 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 2jmg h GLU 55 CO -0.10 0.40 -0.11 0.78 -1.00 0.00 0.00 179.01 178.99 2jmg h GLY 56 N 1.61 0.65 0.86 -3.84 0.00 -0.96 -2.48 103.07 98.92 2jmg h GLY 56 Ca -0.00 -0.56 -0.04 0.00 0.00 0.00 0.00 47.33 46.73 2jmg h GLY 56 CO 0.05 0.51 -0.48 0.00 0.00 0.00 0.00 176.54 176.63 2jmg h ARG 58 N -1.21 0.32 -1.00 0.00 3.08 -1.63 0.11 114.38 114.05 2jmg h ARG 58 Ca -0.11 -0.02 0.08 0.00 0.07 0.00 0.00 59.98 60.00 2jmg h ARG 58 Cb 0.96 -0.07 -0.07 0.00 0.08 0.00 0.00 29.97 30.87 2jmg h ARG 58 CO 0.13 0.21 0.64 1.96 -1.07 0.00 0.00 179.97 181.84 2jmg h GLN 59 N 0.33 1.09 -0.09 0.04 1.08 -1.23 -2.15 115.11 114.18 2jmg h GLN 59 Ca 0.40 -0.07 -0.04 0.00 -1.45 0.00 0.00 58.65 57.49 2jmg h GLN 59 Cb 0.65 -0.24 -0.00 0.00 -0.05 0.00 0.00 27.48 27.83 2jmg h GLN 59 CO -0.46 0.72 -0.11 0.82 -0.95 0.00 0.00 178.83 178.86 2jmg h ILE 60 N 1.12 1.37 -0.89 2.54 2.04 0.01 -3.08 117.51 120.62 2jmg h ILE 60 Ca 0.45 -1.29 0.22 0.00 1.00 0.00 0.00 64.86 65.24 2jmg h ILE 60 Cb 0.26 2.02 -0.06 0.00 -0.74 0.00 0.00 36.82 38.30 2jmg h ILE 60 CO -0.20 0.37 0.61 -0.07 0.00 0.00 0.00 178.15 178.85 2jmg h LEU 61 N -0.19 0.28 -1.06 1.44 3.38 -0.58 0.35 115.31 118.94 2jmg h LEU 61 Ca 0.01 0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 2jmg h LEU 61 Cb 0.64 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 2jmg h LEU 61 CO 0.03 0.10 -0.39 1.23 0.09 0.00 0.00 178.44 179.50 2jmg h GLY 62 N 0.27 0.00 1.91 0.83 0.00 -1.31 0.87 103.07 105.64 2jmg h GLY 62 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.79 2jmg h GLY 62 CO -0.13 0.00 -0.06 -1.06 0.00 0.00 0.00 176.54 175.29 2jmg n GLN 63 N -3.69 0.19 -0.00 4.80 6.02 0.12 -3.62 117.38 121.19 2jmg n GLN 63 Ca -0.01 0.14 0.02 0.00 -0.01 0.00 0.00 57.00 57.15 2jmg n GLN 63 Cb 0.48 -1.71 -0.04 0.00 1.02 0.00 0.00 30.24 30.00 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 -2.03 0.03 0.19 1.08 4.77 -1.00 -4.60 117.00 115.45 2jmg n LEU 64 Ca 0.06 -0.08 -0.17 0.00 -0.03 0.00 0.00 56.01 55.79 2jmg n LEU 64 Cb 0.40 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.40 2jmg n LEU 64 CO 0.30 0.01 0.53 -0.61 -1.33 0.00 0.00 177.39 176.28 2jmg h GLN 65 N 0.00 -0.83 0.00 3.23 4.15 0.70 0.43 115.11 122.80 2jmg h GLN 65 Ca 0.00 0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.48 2jmg h GLN 65 Cb 0.20 0.19 0.00 0.00 0.21 0.00 0.00 27.48 28.08 2jmg h GLN 65 CO 0.00 -0.55 0.00 -0.35 -1.93 0.00 0.00 178.83 176.00 2jmg n PRO 66 N -5.52 0.32 -0.00 -2.39 -0.04 -1.26 -1.92 135.00 124.19 2jmg n PRO 66 Ca -0.10 0.09 0.06 0.00 -0.04 0.00 0.00 63.50 63.52 2jmg n PRO 66 Cb 0.43 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.31 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 -1.17 0.89 -0.11 3.54 7.64 -0.25 -4.45 113.62 119.71 2jmg n SER 67 Ca 0.09 -0.64 0.27 0.00 1.01 0.00 0.00 58.87 59.59 2jmg n SER 67 Cb 0.09 1.13 0.72 0.00 -1.01 0.00 0.00 64.21 65.15 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 0.07 -3.43 3.38 0.48 0.45 115.31 116.27 2jmg h LEU 68 Ca 0.00 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.61 2jmg h LEU 68 Cb 0.39 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.10 2jmg h LEU 68 CO 0.00 0.00 -2.10 1.67 0.09 0.00 0.00 178.44 178.10 2jmg n GLN 69 N -4.05 0.71 -1.35 1.13 7.27 -1.26 -4.29 117.38 115.54 2jmg n GLN 69 Ca 0.16 0.22 -0.33 0.00 0.07 0.00 0.00 57.00 57.13 2jmg n GLN 69 Cb 0.91 -1.66 0.09 0.00 2.41 0.00 0.00 30.24 31.99 2jmg n GLN 69 CO 0.00 0.00 0.00 2.41 0.07 0.00 0.00 177.06 179.54 2jmg n THR 70 N -3.33 3.52 -3.89 1.69 -1.04 -0.18 -4.94 114.28 106.10 2jmg n THR 70 Ca -0.34 -2.86 -0.11 0.00 -2.04 0.00 0.00 64.05 58.70 2jmg n THR 70 Cb 1.04 -1.06 -0.11 0.00 -1.82 0.00 0.00 70.33 68.38 2jmg n THR 70 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2jmg s GLY 71 N -1.86 0.06 1.02 3.41 0.00 0.14 -4.92 107.32 105.17 2jmg s GLY 71 Ca 0.63 -0.14 -0.17 0.00 0.00 0.00 0.00 44.72 45.04 2jmg s GLY 71 CO 0.01 -0.22 1.05 -1.14 0.00 0.00 0.00 173.10 172.80 2jmg n SER 72 N 2.02 -1.24 0.11 1.64 3.41 -1.26 -4.88 113.62 113.42 2jmg n SER 72 Ca -0.20 -1.22 0.09 0.00 -0.26 0.00 0.00 58.87 57.29 2jmg n SER 72 Cb 0.57 -0.90 0.44 0.00 -0.26 0.00 0.00 64.21 64.06 2jmg n SER 72 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 2jmg n GLU 73 N -4.14 0.13 0.11 4.33 0.28 -1.26 -1.75 120.64 118.33 2jmg n GLU 73 Ca 0.14 0.49 0.11 0.00 -0.16 0.00 0.00 57.16 57.73 2jmg n GLU 73 Cb 0.52 -1.81 0.46 0.00 1.43 0.00 0.00 31.44 32.04 2jmg n GLU 73 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2jmg n GLU 74 N -2.06 0.15 -0.08 3.44 4.71 -1.26 -2.82 120.64 122.73 2jmg n GLU 74 Ca 0.01 0.42 -0.09 0.00 -0.01 0.00 0.00 57.16 57.48 2jmg n GLU 74 Cb 0.12 -1.81 -0.10 0.00 -1.01 0.00 0.00 31.44 28.64 2jmg n GLU 74 CO 0.00 0.00 0.00 -0.11 0.09 0.00 0.00 177.13 177.11 2jmg n LEU 75 N -2.10 0.93 -0.16 -4.62 0.00 -0.72 -4.49 117.00 105.84 2jmg n LEU 75 Ca 0.02 -0.03 -0.06 0.00 0.00 0.00 0.00 56.01 55.94 2jmg n LEU 75 Cb 0.20 0.04 0.03 0.00 0.00 0.00 0.00 43.42 43.69 2jmg n LEU 75 CO 0.17 0.50 1.05 0.03 0.00 0.00 0.00 177.39 179.14 2jmg h ARG 76 N 0.00 0.55 -0.59 1.96 2.47 -1.52 -2.45 114.38 114.80 2jmg h ARG 76 Ca -0.40 -0.03 0.10 0.00 -1.26 0.00 0.00 59.98 58.39 2jmg h ARG 76 Cb 1.81 -0.12 -0.08 0.00 -1.65 0.00 0.00 29.97 29.93 2jmg h ARG 76 CO -0.01 0.36 0.16 0.66 0.56 0.00 0.00 179.97 181.70 2jmg h SER 77 N 0.57 0.07 0.40 7.04 4.64 -1.76 -2.04 113.55 122.47 2jmg h SER 77 Ca 0.20 0.10 -0.01 0.00 -0.47 0.00 0.00 61.79 61.61 2jmg h SER 77 Cb 0.04 0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.24 2jmg h SER 77 CO -0.10 0.05 -0.28 -0.07 -0.87 0.00 0.00 176.83 175.57 2jmg h LEU 78 N 0.30 -0.70 -0.71 5.97 -0.00 -1.68 -2.79 115.31 115.70 2jmg h LEU 78 Ca 0.30 0.05 0.15 0.00 -0.00 0.00 0.00 57.88 58.38 2jmg h LEU 78 Cb 0.42 0.22 -0.13 0.00 -0.00 0.00 0.00 40.66 41.17 2jmg h LEU 78 CO -0.36 -0.43 -0.10 0.22 -0.00 0.00 0.00 178.44 177.77 2jmg h TYR 79 N -0.66 -0.24 -0.01 1.13 3.20 -1.02 0.25 116.97 119.63 2jmg h TYR 79 Ca -0.04 0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.89 2jmg h TYR 79 Cb 0.56 0.22 -0.01 0.00 1.54 0.00 0.00 36.73 39.04 2jmg h TYR 79 CO -0.12 -0.27 -0.06 -0.97 -1.64 0.00 0.00 178.16 175.10 2jmg h ASN 80 N 0.04 -0.18 0.10 -2.11 -1.24 -1.12 0.75 115.58 111.81 2jmg h ASN 80 Ca 0.36 0.02 0.02 0.00 0.71 0.00 0.00 56.30 57.41 2jmg h ASN 80 Cb 0.59 0.07 -0.04 0.00 0.73 0.00 0.00 38.32 39.66 2jmg h ASN 80 CO -0.69 -0.05 -0.33 0.74 -1.29 0.00 0.00 177.43 175.81 2jmg h THR 81 N -0.07 0.30 -0.93 -3.57 2.02 -1.25 -2.02 112.91 107.39 2jmg h THR 81 Ca 0.00 0.00 0.27 0.00 0.77 0.00 0.00 66.41 67.45 2jmg h THR 81 Cb 0.07 0.30 -0.16 0.00 -1.74 0.00 0.00 68.15 66.62 2jmg h THR 81 CO -0.04 0.00 0.17 0.40 0.37 0.00 0.00 175.52 176.42 2jmg h ILE 82 N -0.54 0.15 -0.36 3.11 2.04 -0.37 0.39 117.51 121.93 2jmg h ILE 82 Ca 0.04 -0.03 0.05 0.00 1.00 0.00 0.00 64.86 65.92 2jmg h ILE 82 Cb 0.58 0.05 -0.05 0.00 -0.74 0.00 0.00 36.82 36.67 2jmg h ILE 82 CO -0.21 0.02 0.07 0.00 0.00 0.00 0.00 178.15 178.03 2jmg h ALA 83 N 1.89 0.39 0.51 1.87 0.00 -0.09 -1.94 119.26 121.88 2jmg h ALA 83 Ca 0.60 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.56 2jmg h ALA 83 Cb 1.28 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.17 2jmg h ALA 83 CO -0.78 -0.33 -0.24 0.28 0.00 0.00 0.00 179.25 178.17 2jmg h VAL 84 N 0.19 0.45 -1.17 0.00 2.07 -0.12 -2.88 116.25 114.79 2jmg h VAL 84 Ca 0.17 -0.28 0.36 0.00 0.82 0.00 0.00 66.70 67.78 2jmg h VAL 84 Cb 0.20 0.56 -0.12 0.00 -1.52 0.00 0.00 31.29 30.41 2jmg h VAL 84 CO -0.23 0.04 0.74 0.25 0.02 0.00 0.00 177.57 178.40 2jmg h LEU 85 N -0.86 0.35 -0.70 2.57 5.85 -0.98 0.58 115.31 122.11 2jmg h LEU 85 Ca -0.07 0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.80 2jmg h LEU 85 Cb 0.59 0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.67 2jmg h LEU 85 CO 0.11 -0.08 0.45 0.22 -0.34 0.00 0.00 178.44 178.80 2jmg h TYR 86 N 0.23 0.85 0.00 1.25 3.20 -1.13 -1.85 116.97 119.52 2jmg h TYR 86 Ca 0.73 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 62.51 2jmg h TYR 86 Cb 2.06 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 40.03 2jmg h TYR 86 CO -0.01 0.51 -0.52 0.00 -1.64 0.00 0.00 178.16 176.50 2jmg h VAL 88 N 0.00 1.12 0.01 0.00 2.07 -0.54 0.68 116.25 119.59 2jmg h VAL 88 Ca -0.01 -0.52 -0.24 0.00 0.82 0.00 0.00 66.70 66.75 2jmg h VAL 88 Cb 0.93 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.80 2jmg h VAL 88 CO 0.07 0.16 -1.32 0.45 0.02 0.00 0.00 177.57 176.95 2jmg h HIS 89 N 0.14 0.03 0.00 1.57 -0.00 -1.27 -3.36 115.15 112.27 2jmg h HIS 89 Ca 0.03 -0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.38 2jmg h HIS 89 Cb 0.24 -0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.65 2jmg h HIS 89 CO 0.00 1.51 0.00 0.94 -0.00 0.00 0.00 177.93 180.39 2jmg n GLN 90 N -4.37 0.41 -3.27 2.45 -0.06 -0.74 -4.90 117.38 106.90 2jmg n GLN 90 Ca -0.32 0.04 -0.15 0.00 -2.00 0.00 0.00 57.00 54.56 2jmg n GLN 90 Cb 0.71 -1.50 0.08 0.00 -4.06 0.00 0.00 30.24 25.47 2jmg n GLN 90 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 2jmg n ARG 91 N -1.26 -5.89 -3.28 3.69 1.74 0.22 -4.97 116.66 106.90 2jmg n ARG 91 Ca 0.13 0.74 -0.40 0.00 -0.77 0.00 0.00 57.85 57.55 2jmg n ARG 91 Cb 0.20 -5.46 -0.08 0.00 -1.02 0.00 0.00 32.46 26.10 2jmg n ARG 91 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2jmg s ILE 92 N -3.31 5.09 0.20 0.55 1.01 -0.11 -5.02 121.20 119.61 2jmg s ILE 92 Ca 0.03 0.67 -0.31 0.00 0.00 0.00 0.00 60.65 61.04 2jmg s ILE 92 Cb -0.02 -3.82 -0.15 0.00 0.01 0.00 0.00 42.46 38.48 2jmg s ILE 92 CO 0.64 0.04 1.10 -0.67 0.00 0.00 0.00 174.94 176.05 2jmg n ASP 93 N 5.52 1.20 -3.34 3.58 -0.08 -1.26 -4.78 116.55 117.40 2jmg n ASP 93 Ca -0.05 1.15 -0.04 0.00 -1.51 0.00 0.00 54.79 54.33 2jmg n ASP 93 Cb 0.50 -1.22 -0.06 0.00 2.34 0.00 0.00 41.12 42.68 2jmg n ASP 93 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 2jmg s VAL 94 N -0.43 -0.76 -0.12 5.18 -7.23 -1.26 -4.75 120.40 111.03 2jmg s VAL 94 Ca 0.69 -0.01 0.29 0.00 -1.81 0.00 0.00 61.98 61.14 2jmg s VAL 94 Cb -0.82 -0.86 0.37 0.00 0.56 0.00 0.00 36.38 35.63 2jmg s VAL 94 CO 0.54 -0.05 1.84 0.11 -0.31 0.00 0.00 175.10 177.23 2jmg h LYS 95 N 8.11 0.00 -2.31 4.82 1.57 -1.93 -3.45 116.57 123.39 2jmg h LYS 95 Ca -0.20 0.00 0.27 0.00 -1.87 0.00 0.00 60.65 58.85 2jmg h LYS 95 Cb 1.15 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.41 2jmg h LYS 95 CO 0.24 0.00 0.78 0.16 -0.57 0.00 0.00 179.45 180.06 2jmg s ASP 96 N -5.87 0.01 0.51 0.86 1.47 -1.26 -4.28 116.67 108.10 2jmg s ASP 96 Ca 0.03 -0.39 0.21 0.00 1.18 0.00 0.00 52.55 53.59 2jmg s ASP 96 Cb 0.07 0.28 1.29 0.00 -0.34 0.00 0.00 42.92 44.23 2jmg s ASP 96 CO 0.59 -0.57 2.01 0.74 0.68 0.00 0.00 175.17 178.62 2jmg h THR 97 N 2.00 0.80 0.01 2.11 2.02 -1.38 -1.92 112.91 116.54 2jmg h THR 97 Ca -0.24 -0.03 -0.00 0.00 0.77 0.00 0.00 66.41 66.91 2jmg h THR 97 Cb 1.20 0.70 0.00 0.00 -1.74 0.00 0.00 68.15 68.30 2jmg h THR 97 CO 0.33 0.02 -0.00 0.50 0.37 0.00 0.00 175.52 176.74 2jmg h LYS 98 N 0.10 -0.01 -0.79 6.66 3.64 -1.88 -2.37 116.57 121.93 2jmg h LYS 98 Ca 0.23 0.00 0.14 0.00 -1.27 0.00 0.00 60.65 59.75 2jmg h LYS 98 Cb 0.79 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.56 2jmg h LYS 98 CO -0.02 0.60 0.52 1.49 -2.27 0.00 0.00 179.45 179.76 2jmg h GLU 99 N -0.62 0.49 -0.08 1.90 4.57 -1.75 -1.53 114.58 117.57 2jmg h GLU 99 Ca -0.00 -0.03 -0.06 0.00 -1.18 0.00 0.00 59.36 58.09 2jmg h GLU 99 Cb 0.61 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.09 2jmg h GLU 99 CO 0.00 0.33 -0.17 0.00 -1.18 0.00 0.00 179.01 177.98 2jmg h ALA 100 N 1.63 0.13 -0.52 2.92 0.00 -1.39 -1.33 119.26 120.69 2jmg h ALA 100 Ca 0.39 -0.36 0.07 0.00 0.00 0.00 0.00 54.91 55.01 2jmg h ALA 100 Cb 0.78 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.49 2jmg h ALA 100 CO -0.14 0.05 0.18 1.25 0.00 0.00 0.00 179.25 180.59 2jmg h LEU 101 N -0.22 0.17 0.00 0.00 7.12 -0.76 0.07 115.31 121.69 2jmg h LEU 101 Ca 0.00 0.07 -0.00 0.00 0.13 0.00 0.00 57.88 58.08 2jmg h LEU 101 Cb 0.76 0.06 0.00 0.00 -0.53 0.00 0.00 40.66 40.95 2jmg h LEU 101 CO 0.04 0.12 -0.00 0.44 -0.13 0.00 0.00 178.44 178.91 2jmg h ASP 102 N 0.35 -0.00 -0.88 1.25 3.32 -1.36 0.11 116.42 119.20 2jmg h ASP 102 Ca 0.25 0.00 0.28 0.00 0.02 0.00 0.00 57.03 57.59 2jmg h ASP 102 Cb 0.29 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 39.67 2jmg h ASP 102 CO -0.27 -0.00 0.16 1.17 -1.72 0.00 0.00 179.24 178.58 2jmg n LYS 103 N -2.01 -0.06 0.05 3.56 4.81 -0.50 -0.02 118.16 123.97 2jmg n LYS 103 Ca -0.00 1.29 -0.12 0.00 -0.87 0.00 0.00 58.31 58.61 2jmg n LYS 103 Cb 0.00 -2.13 -0.08 0.00 0.02 0.00 0.00 35.03 32.84 2jmg n LYS 103 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 2jmg h ILE 104 N 0.00 0.98 -0.85 3.15 2.04 -1.05 -3.02 117.51 118.77 2jmg h ILE 104 Ca 0.60 -1.10 0.24 0.00 1.00 0.00 0.00 64.86 65.60 2jmg h ILE 104 Cb 1.38 1.61 -0.04 0.00 -0.74 0.00 0.00 36.82 39.03 2jmg h ILE 104 CO -0.78 0.24 0.61 -0.08 0.00 0.00 0.00 178.15 178.13 2jmg h GLU 105 N -0.77 0.03 -0.26 2.37 4.22 0.23 0.79 114.58 121.19 2jmg h GLU 105 Ca -0.02 -0.00 -0.10 0.00 0.08 0.00 0.00 59.36 59.32 2jmg h GLU 105 Cb 0.53 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 2jmg h GLU 105 CO 0.03 0.02 -0.23 0.93 -2.18 0.00 0.00 179.01 177.58 2jmg h GLU 106 N 0.03 0.61 0.00 1.92 5.08 -0.46 -2.13 114.58 119.62 2jmg h GLU 106 Ca 0.41 -0.31 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 2jmg h GLU 106 Cb 1.59 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.84 2jmg h GLU 106 CO -0.02 0.91 -0.14 1.49 -1.00 0.00 0.00 179.01 180.25 2jmg h GLU 107 N 0.33 0.00 0.08 2.33 4.57 -0.73 -2.30 114.58 118.85 2jmg h GLU 107 Ca 0.04 0.00 -0.25 0.00 -1.18 0.00 0.00 59.36 57.98 2jmg h GLU 107 Cb 0.78 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.36 2jmg h GLU 107 CO 0.06 0.14 -1.13 0.37 -1.18 0.00 0.00 179.01 177.27 2jmg h GLN 108 N 0.00 0.18 -0.90 1.92 4.15 -1.25 -3.29 115.11 115.93 2jmg h GLN 108 Ca -0.00 -0.30 0.05 0.00 0.77 0.00 0.00 58.65 59.17 2jmg h GLN 108 Cb 0.32 0.11 -0.05 0.00 0.21 0.00 0.00 27.48 28.06 2jmg h GLN 108 CO 0.02 1.13 0.59 -0.97 -1.93 0.00 0.00 178.83 177.67 2jmg h ASN 109 N 0.06 0.95 -0.42 -0.69 -1.24 -0.79 -0.77 115.58 112.67 2jmg h ASN 109 Ca -0.09 -0.00 0.12 0.00 0.71 0.00 0.00 56.30 57.04 2jmg h ASN 109 Cb 1.87 -0.21 -0.02 0.00 0.73 0.00 0.00 38.32 40.69 2jmg h ASN 109 CO 0.17 0.63 0.36 0.50 -1.29 0.00 0.00 177.43 177.81 2jmg h LYS 110 N 1.09 0.00 0.00 6.67 3.64 -1.60 0.21 116.57 126.57 2jmg h LYS 110 Ca 0.37 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.73 2jmg h LYS 110 Cb 0.09 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.91 2jmg h LYS 110 CO -0.12 0.00 -0.12 0.66 -2.27 0.00 0.00 179.45 177.59 2jmg h SER 111 N 0.00 0.00 0.22 4.20 4.64 -1.30 -2.23 113.55 119.07 2jmg h SER 111 Ca 0.20 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.31 2jmg h SER 111 Cb 0.92 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 2jmg h SER 111 CO -0.00 0.12 -0.84 0.50 -0.87 0.00 0.00 176.83 175.74 2jmg h LYS 112 N 0.00 0.48 -0.43 4.77 1.63 -0.69 -3.13 116.57 119.19 2jmg h LYS 112 Ca -0.00 -0.44 0.12 0.00 -0.85 0.00 0.00 60.65 59.48 2jmg h LYS 112 Cb 0.27 0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 31.99 2jmg h LYS 112 CO 0.02 1.08 0.33 -0.22 -3.45 0.00 0.00 179.45 177.21 2jmg h LYS 113 N 0.30 0.00 -0.78 1.90 3.64 -1.41 -0.19 116.57 120.02 2jmg h LYS 113 Ca -0.06 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.29 2jmg h LYS 113 Cb 1.45 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.23 2jmg h LYS 113 CO 0.15 0.00 0.35 0.87 -2.27 0.00 0.00 179.45 178.55 2jmg h LYS 114 N 0.00 1.14 -0.24 1.90 1.57 -1.58 -1.87 116.57 117.49 2jmg h LYS 114 Ca 0.20 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2jmg h LYS 114 Cb 0.86 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 2jmg h LYS 114 CO -0.00 0.89 0.16 0.00 -0.57 0.00 0.00 179.45 179.93 2jmg h ALA 115 N 1.26 1.84 0.02 3.86 0.00 -1.17 -3.24 119.26 121.83 2jmg h ALA 115 Ca 0.27 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 2jmg h ALA 115 Cb 0.15 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2jmg h ALA 115 CO -0.03 0.14 -0.01 1.96 0.00 0.00 0.00 179.25 181.31 2jmg h GLN 116 N 0.31 -0.02 -4.22 0.00 4.20 -1.41 -3.47 115.11 110.50 2jmg h GLN 116 Ca 0.09 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.50 2jmg h GLN 116 Cb -0.02 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.74 2jmg h GLN 116 CO -0.02 -0.02 -0.41 0.94 -0.67 0.00 0.00 178.83 178.65 2jmg n GLN 117 N -2.53 -2.73 0.00 1.46 7.27 -0.77 -4.30 117.38 115.78 2jmg n GLN 117 Ca -0.00 0.63 0.00 0.00 0.07 0.00 0.00 57.00 57.69 2jmg n GLN 117 Cb 0.01 -5.28 0.00 0.00 2.41 0.00 0.00 30.24 27.38 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 -2.64 0.00 -1.18 1.69 0.00 -1.26 -4.95 120.51 112.17 2jmg n ALA 118 Ca -0.12 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.17 2jmg n ALA 118 Cb 0.60 0.00 0.23 0.00 0.00 0.00 0.00 19.45 20.28 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 -0.76 5.11 -0.02 0.00 0.00 -1.26 -4.13 120.51 119.46 2jmg n ALA 119 Ca 0.00 -2.71 -0.01 0.00 0.00 0.00 0.00 53.44 50.71 2jmg n ALA 119 Cb 0.00 -1.31 -0.04 0.00 0.00 0.00 0.00 19.45 18.10 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 -0.78 1.94 -0.02 0.00 0.00 -1.26 -4.67 120.51 115.72 2jmg n ALA 120 Ca 0.51 -0.27 -0.06 0.00 0.00 0.00 0.00 53.44 53.61 2jmg n ALA 120 Cb 1.52 0.09 -0.13 0.00 0.00 0.00 0.00 19.45 20.93 2jmg n ALA 120 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2jmg n ASP 121 N -2.08 0.72 -0.59 0.00 5.75 -1.26 -5.07 116.55 114.03 2jmg n ASP 121 Ca -0.06 0.33 0.01 0.00 -0.01 0.00 0.00 54.79 55.06 2jmg n ASP 121 Cb 0.55 0.20 -0.00 0.00 -1.03 0.00 0.00 41.12 40.84 2jmg n ASP 121 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 2jmg n THR 122 N -2.94 0.00 -1.92 2.12 -2.24 -1.26 -4.32 114.28 103.71 2jmg n THR 122 Ca -0.17 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.19 2jmg n THR 122 Cb 1.00 -0.02 -0.03 0.00 -2.10 0.00 0.00 70.33 69.18 2jmg n THR 122 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2jmg s GLY 123 N -3.50 0.61 0.50 3.38 0.00 -1.26 -4.96 107.32 102.08 2jmg s GLY 123 Ca 0.00 0.20 0.02 0.00 0.00 0.00 0.00 44.72 44.94 2jmg s GLY 123 CO 0.00 3.41 0.14 1.16 0.00 0.00 0.00 173.10 177.81 2jmg n ASN 124 N 11.12 3.12 -2.71 1.64 6.94 -1.26 -5.08 115.26 129.03 2jmg n ASN 124 Ca 0.24 -3.03 -0.24 0.00 -0.02 0.00 0.00 54.58 51.54 2jmg n ASN 124 Cb 0.48 0.21 -0.01 0.00 -2.36 0.00 0.00 39.78 38.09 2jmg n ASN 124 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 2jmg n ASN 125 N -1.49 3.90 -3.57 0.53 0.23 -1.26 -5.04 115.26 108.57 2jmg n ASN 125 Ca -0.14 -3.52 -0.15 0.00 -0.53 0.00 0.00 54.58 50.24 2jmg n ASN 125 Cb 0.61 -0.51 -0.06 0.00 -2.08 0.00 0.00 39.78 37.74 2jmg n ASN 125 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 2jmg s SER 126 N -3.37 -0.63 0.41 0.53 0.15 -1.26 -5.15 113.70 104.38 2jmg s SER 126 Ca 0.45 0.87 -0.26 0.00 0.70 0.00 0.00 55.95 57.71 2jmg s SER 126 Cb 0.37 0.77 -0.09 0.00 -1.71 0.00 0.00 66.02 65.35 2jmg s SER 126 CO -0.14 -0.45 1.39 0.00 1.20 0.00 0.00 173.24 175.25 2jmg s GLN 127 N -0.67 3.90 0.66 5.44 0.00 -1.26 -5.01 119.66 122.72 2jmg s GLN 127 Ca -0.06 2.35 -0.08 0.00 -0.00 0.00 0.00 55.36 57.57 2jmg s GLN 127 Cb -0.02 -2.78 0.03 0.00 0.00 0.00 0.00 33.01 30.25 2jmg s GLN 127 CO 0.05 -0.61 0.99 0.14 0.00 0.00 0.00 175.29 175.86 2jmg s VAL 128 N -1.20 3.14 0.92 3.63 -7.23 -1.26 -5.09 120.40 113.31 2jmg s VAL 128 Ca 0.57 0.02 -0.13 0.00 -1.81 0.00 0.00 61.98 60.63 2jmg s VAL 128 Cb -0.42 -3.31 0.21 0.00 0.56 0.00 0.00 36.38 33.42 2jmg s VAL 128 CO 0.55 -0.34 1.25 -0.24 -0.31 0.00 0.00 175.10 176.01 2jmg n SER 129 N -2.81 0.32 -3.67 4.85 2.88 -1.26 -4.98 113.62 108.95 2jmg n SER 129 Ca 0.06 -1.59 -0.41 0.00 -1.33 0.00 0.00 58.87 55.60 2jmg n SER 129 Cb 0.58 -0.93 0.01 0.00 -0.75 0.00 0.00 64.21 63.12 2jmg n SER 129 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jmg n GLN 130 N -3.60 4.93 -4.36 -1.46 10.64 -1.26 -4.97 117.38 117.30 2jmg n GLN 130 Ca 0.16 -4.24 -0.24 0.00 -1.83 0.00 0.00 57.00 50.85 2jmg n GLN 130 Cb 0.57 -2.55 -0.09 0.00 -0.86 0.00 0.00 30.24 27.31 2jmg n GLN 130 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 2jmg s ASN 131 N -0.80 4.11 0.00 2.61 4.22 -1.26 -5.39 114.94 118.43 2jmg s ASN 131 Ca 0.42 -0.79 0.00 0.00 -2.14 0.00 0.00 52.86 50.35 2jmg s ASN 131 Cb 0.16 -0.60 0.00 0.00 1.28 0.00 0.00 41.25 42.08 2jmg s ASN 131 CO -0.07 0.03 0.00 -1.22 -2.04 0.00 0.00 177.10 173.80