#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 4.49 -1.03 4.61 0.00 -1.26 -4.99 121.76 123.58 2jmg s ALA 3 Ca 0.00 -1.77 -0.07 0.00 0.00 0.00 0.00 51.96 50.12 2jmg s ALA 3 Cb 0.00 -1.64 -0.07 0.00 0.00 0.00 0.00 23.12 21.41 2jmg s ALA 3 CO 0.00 -0.53 2.99 0.54 0.00 0.00 0.00 175.76 178.76 2jmg n ARG 4 N -2.04 3.33 -2.30 0.00 1.74 -1.26 -4.84 116.66 111.29 2jmg n ARG 4 Ca 0.10 -2.18 -0.03 0.00 -0.77 0.00 0.00 57.85 54.97 2jmg n ARG 4 Cb 0.60 -2.49 -0.01 0.00 -1.02 0.00 0.00 32.46 29.53 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 2.62 0.09 -2.38 7.54 0.00 -1.26 -5.18 120.51 121.94 2jmg n ALA 5 Ca 0.63 -0.31 -0.25 0.00 0.00 0.00 0.00 53.44 53.52 2jmg n ALA 5 Cb 0.44 0.25 -0.03 0.00 0.00 0.00 0.00 19.45 20.11 2jmg n ALA 5 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2jmg s SER 6 N -1.37 4.65 -0.16 0.00 1.04 -1.26 -5.04 113.70 111.55 2jmg s SER 6 Ca 0.06 -1.11 -0.08 0.00 0.48 0.00 0.00 55.95 55.30 2jmg s SER 6 Cb 0.00 -0.02 -0.07 0.00 0.10 0.00 0.00 66.02 66.03 2jmg s SER 6 CO 0.04 -0.86 -0.21 -1.14 0.98 0.00 0.00 173.24 172.06 2jmg n ARG 7 N -1.56 0.35 -0.80 4.02 0.63 -1.26 -5.03 116.66 113.01 2jmg n ARG 7 Ca -0.01 0.15 -0.30 0.00 -0.92 0.00 0.00 57.85 56.77 2jmg n ARG 7 Cb 0.64 -1.09 0.17 0.00 0.45 0.00 0.00 32.46 32.63 2jmg n ARG 7 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2jmg s LEU 8 N -6.84 2.36 0.00 6.15 1.43 -1.26 -5.06 118.68 115.46 2jmg s LEU 8 Ca -0.23 1.92 0.04 0.00 -1.03 0.00 0.00 54.13 54.82 2jmg s LEU 8 Cb 0.09 -4.24 -0.01 0.00 0.03 0.00 0.00 46.19 42.06 2jmg s LEU 8 CO 0.29 -3.16 0.13 -1.20 0.23 0.00 0.00 176.35 172.65 2jmg n SER 9 N -4.25 0.54 -0.33 2.29 7.64 -1.26 -4.98 113.62 113.26 2jmg n SER 9 Ca 0.09 -2.44 0.17 0.00 1.01 0.00 0.00 58.87 57.69 2jmg n SER 9 Cb 0.53 0.84 0.37 0.00 -1.01 0.00 0.00 64.21 64.94 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 1.18 1.81 0.70 0.23 0.00 -1.97 0.30 103.07 105.32 2jmg h GLY 10 Ca -0.19 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 46.88 2jmg h GLY 10 CO 0.29 -0.29 -0.35 -1.33 0.00 0.00 0.00 176.54 174.86 2jmg h GLY 11 N 0.49 -0.87 2.00 4.60 0.00 -2.02 -2.23 103.07 105.04 2jmg h GLY 11 Ca 0.63 0.40 -0.06 0.00 0.00 0.00 0.00 47.33 48.30 2jmg h GLY 11 CO -0.51 -0.31 -0.31 -2.09 0.00 0.00 0.00 176.54 173.32 2jmg h GLU 12 N -0.78 0.00 0.00 4.80 4.57 -1.72 -2.68 114.58 118.77 2jmg h GLU 12 Ca -0.04 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.11 2jmg h GLU 12 Cb 0.68 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.26 2jmg h GLU 12 CO -0.02 0.31 -0.13 1.25 -1.18 0.00 0.00 179.01 179.24 2jmg h LEU 13 N 0.00 0.00 -0.63 1.64 5.85 0.01 -1.76 115.31 120.43 2jmg h LEU 13 Ca -0.00 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 2jmg h LEU 13 Cb 0.69 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.69 2jmg h LEU 13 CO 0.04 0.13 0.30 -0.78 -0.34 0.00 0.00 178.44 177.79 2jmg h ASP 14 N 0.00 0.83 0.01 1.25 3.58 -1.05 -1.78 116.42 119.26 2jmg h ASP 14 Ca -0.00 -0.14 -0.19 0.00 0.42 0.00 0.00 57.03 57.12 2jmg h ASP 14 Cb 0.27 -0.21 0.02 0.00 1.72 0.00 0.00 39.33 41.12 2jmg h ASP 14 CO 0.02 0.73 -0.77 0.11 -2.88 0.00 0.00 179.24 176.45 2jmg h LYS 15 N 0.87 0.50 -0.92 0.28 1.79 -1.58 -2.58 116.57 114.93 2jmg h LYS 15 Ca 0.22 -0.55 0.13 0.00 -2.18 0.00 0.00 60.65 58.26 2jmg h LYS 15 Cb 0.13 0.16 -0.07 0.00 -1.58 0.00 0.00 32.23 30.87 2jmg h LYS 15 CO -0.03 1.19 0.59 2.35 -1.08 0.00 0.00 179.45 182.47 2jmg h TRP 16 N 0.04 0.93 -0.00 -1.35 2.91 -1.24 0.25 115.95 117.50 2jmg h TRP 16 Ca -0.10 0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.95 2jmg h TRP 16 Cb 1.47 -0.30 0.00 0.00 -0.51 0.00 0.00 29.16 29.82 2jmg h TRP 16 CO 0.14 0.37 -0.29 0.39 -1.03 0.00 0.00 178.44 178.02 2jmg n GLU 17 N -4.57 0.13 0.19 2.65 1.02 -0.68 -3.53 120.64 115.85 2jmg n GLU 17 Ca 0.17 -0.05 0.12 0.00 -0.02 0.00 0.00 57.16 57.38 2jmg n GLU 17 Cb 0.40 -1.50 0.16 0.00 -0.02 0.00 0.00 31.44 30.49 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 0.13 0.00 -6.57 3.49 1.63 -0.08 -3.41 116.57 111.77 2jmg h LYS 18 Ca 0.00 0.00 -0.52 0.00 -0.85 0.00 0.00 60.65 59.28 2jmg h LYS 18 Cb 0.48 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.09 2jmg h LYS 18 CO 0.00 0.00 0.31 0.42 -3.45 0.00 0.00 179.45 176.73 2jmg s ILE 19 N -3.22 4.42 0.11 2.00 1.09 -1.00 -4.97 121.20 119.62 2jmg s ILE 19 Ca 0.06 1.98 -0.10 0.00 -1.10 0.00 0.00 60.65 61.49 2jmg s ILE 19 Cb 0.06 -4.28 -0.06 0.00 -1.06 0.00 0.00 42.46 37.12 2jmg s ILE 19 CO 0.68 0.38 0.44 -0.13 -0.10 0.00 0.00 174.94 176.21 2jmg s ARG 20 N -0.39 3.79 0.11 2.79 0.52 -1.25 -2.27 118.95 122.25 2jmg s ARG 20 Ca 0.43 0.22 -0.11 0.00 -0.52 0.00 0.00 55.73 55.75 2jmg s ARG 20 Cb -0.24 -2.95 -0.13 0.00 0.52 0.00 0.00 34.95 32.16 2jmg s ARG 20 CO 0.29 0.52 1.32 -0.07 0.02 0.00 0.00 175.30 177.38 2jmg h LEU 21 N 3.52 0.91 -9.81 2.53 3.38 -0.65 -0.09 115.31 115.09 2jmg h LEU 21 Ca -0.49 -0.59 -0.52 0.00 0.09 0.00 0.00 57.88 56.37 2jmg h LEU 21 Cb 1.19 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 41.61 2jmg h LEU 21 CO 0.67 1.39 -0.55 -0.13 0.09 0.00 0.00 178.44 179.91 2jmg s ARG 22 N -3.75 2.63 0.07 1.13 0.52 -1.26 -3.85 118.95 114.45 2jmg s ARG 22 Ca -0.10 -1.27 -0.18 0.00 -0.52 0.00 0.00 55.73 53.66 2jmg s ARG 22 Cb 0.09 -2.38 -0.12 0.00 0.52 0.00 0.00 34.95 33.07 2jmg s ARG 22 CO 0.90 0.29 1.38 -1.00 0.02 0.00 0.00 175.30 176.89 2jmg h PRO 23 N 1.57 0.53 -0.05 3.54 0.13 -1.93 -3.32 132.00 132.46 2jmg h PRO 23 Ca -0.46 -0.28 -0.02 0.00 -0.87 0.00 0.00 66.00 64.37 2jmg h PRO 23 Cb 1.25 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 2jmg h PRO 23 CO 0.61 0.86 -0.38 0.41 -0.23 0.00 0.00 178.00 179.27 2jmg n GLY 24 N 0.18 5.07 0.00 1.56 0.00 -1.26 -4.93 105.19 105.82 2jmg n GLY 24 Ca -0.05 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.69 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 -1.15 2.78 0.00 -0.02 0.00 -1.25 -5.06 105.19 100.49 2jmg n GLY 25 Ca 0.21 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 44.11 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 -0.53 0.62 -2.69 1.61 4.81 -1.26 -4.90 118.16 115.83 2jmg n LYS 26 Ca 0.00 -0.31 -0.34 0.00 -0.87 0.00 0.00 58.31 56.79 2jmg n LYS 26 Cb 0.00 -0.79 -0.05 0.00 0.02 0.00 0.00 35.03 34.21 2jmg n LYS 26 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 2jmg s LYS 27 N -0.18 4.06 0.22 1.64 2.20 -1.26 -4.95 119.74 121.47 2jmg s LYS 27 Ca 0.00 1.26 0.04 0.00 -0.36 0.00 0.00 55.97 56.90 2jmg s LYS 27 Cb 0.00 -2.20 -0.01 0.00 -1.51 0.00 0.00 37.83 34.11 2jmg s LYS 27 CO 0.00 -0.19 0.14 1.04 -0.36 0.00 0.00 175.35 175.98 2jmg n GLN 28 N -0.68 0.44 -3.45 4.03 6.02 -1.26 0.04 117.38 122.52 2jmg n GLN 28 Ca 0.08 -2.03 -0.33 0.00 -0.01 0.00 0.00 57.00 54.71 2jmg n GLN 28 Cb 0.53 1.42 -0.05 0.00 1.02 0.00 0.00 30.24 33.16 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 -2.67 3.47 0.20 1.08 2.02 -0.96 -4.62 117.35 115.87 2jmg s TYR 29 Ca 0.19 0.86 -0.01 0.00 -0.37 0.00 0.00 57.07 57.74 2jmg s TYR 29 Cb 0.01 -2.24 -0.04 0.00 -0.40 0.00 0.00 41.96 39.29 2jmg s TYR 29 CO 0.14 0.33 0.14 0.15 -1.57 0.00 0.00 175.55 174.73 2jmg s LYS 30 N -2.62 1.21 0.49 -0.62 1.02 -1.26 -4.07 119.74 113.90 2jmg s LYS 30 Ca 0.44 -1.63 0.29 0.00 0.02 0.00 0.00 55.97 55.10 2jmg s LYS 30 Cb -0.12 0.27 1.37 0.00 -0.52 0.00 0.00 37.83 38.84 2jmg s LYS 30 CO 0.21 -0.40 1.80 -0.07 -0.92 0.00 0.00 175.35 175.97 2jmg h LEU 31 N 2.61 0.17 -1.16 3.17 -0.00 -1.98 0.12 115.31 118.24 2jmg h LEU 31 Ca -0.36 0.03 0.29 0.00 -0.00 0.00 0.00 57.88 57.85 2jmg h LEU 31 Cb 1.25 0.01 -0.12 0.00 -0.00 0.00 0.00 40.66 41.80 2jmg h LEU 31 CO 0.52 0.03 0.64 0.50 -0.00 0.00 0.00 178.44 180.13 2jmg h LYS 32 N 0.15 0.40 0.05 1.13 3.64 -2.00 -0.63 116.57 119.31 2jmg h LYS 32 Ca 0.57 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.85 2jmg h LYS 32 Cb 1.94 -0.09 0.01 0.00 -0.41 0.00 0.00 32.23 33.68 2jmg h LYS 32 CO -0.13 0.26 -0.34 0.45 -2.27 0.00 0.00 179.45 177.42 2jmg h HIS 33 N 0.41 0.25 -0.80 1.91 3.86 -1.17 -2.56 115.15 117.05 2jmg h HIS 33 Ca 0.67 -0.17 0.21 0.00 -1.16 0.00 0.00 60.37 59.92 2jmg h HIS 33 Cb 1.57 -0.01 -0.04 0.00 1.06 0.00 0.00 27.41 29.98 2jmg h HIS 33 CO -0.01 1.09 0.56 0.82 0.86 0.00 0.00 177.93 181.26 2jmg h ILE 34 N -0.66 0.66 0.00 2.45 2.04 -1.19 0.11 117.51 120.92 2jmg h ILE 34 Ca -0.06 -0.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 2jmg h ILE 34 Cb 1.23 0.47 0.00 0.00 -0.74 0.00 0.00 36.82 37.78 2jmg h ILE 34 CO 0.06 0.03 -0.03 0.58 0.00 0.00 0.00 178.15 178.80 2jmg h VAL 35 N 0.17 1.73 -0.89 1.67 2.07 -1.24 -2.30 116.25 117.46 2jmg h VAL 35 Ca 0.40 -2.19 0.06 0.00 0.82 0.00 0.00 66.70 65.79 2jmg h VAL 35 Cb 1.30 3.22 -0.06 0.00 -1.52 0.00 0.00 31.29 34.24 2jmg h VAL 35 CO -0.07 0.57 0.58 -0.25 0.02 0.00 0.00 177.57 178.42 2jmg h TRP 36 N -0.91 1.03 0.27 1.57 7.01 -0.89 0.03 115.95 124.05 2jmg h TRP 36 Ca -0.00 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.01 2jmg h TRP 36 Cb 0.95 -0.34 0.00 0.00 -2.10 0.00 0.00 29.16 27.67 2jmg h TRP 36 CO 0.25 0.55 -0.13 0.00 -2.79 0.00 0.00 178.44 176.32 2jmg h ALA 37 N 1.51 -0.36 -0.81 2.65 0.00 -0.92 0.18 119.26 121.51 2jmg h ALA 37 Ca 0.38 -0.19 0.17 0.00 0.00 0.00 0.00 54.91 55.27 2jmg h ALA 37 Cb 0.18 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 2jmg h ALA 37 CO -0.14 -0.42 0.54 0.77 0.00 0.00 0.00 179.25 180.00 2jmg h SER 38 N -0.92 0.41 0.06 0.00 0.02 -1.23 -0.81 113.55 111.08 2jmg h SER 38 Ca -0.04 0.03 -0.09 0.00 -0.84 0.00 0.00 61.79 60.86 2jmg h SER 38 Cb 0.50 -0.05 0.01 0.00 0.14 0.00 0.00 62.40 63.00 2jmg h SER 38 CO 0.06 0.19 -0.38 0.03 -1.14 0.00 0.00 176.83 175.60 2jmg h ARG 39 N 0.42 0.15 -0.34 3.45 2.47 -1.00 -3.29 114.38 116.24 2jmg h ARG 39 Ca 0.41 -0.24 0.07 0.00 -1.26 0.00 0.00 59.98 58.96 2jmg h ARG 39 Cb 0.96 0.09 -0.08 0.00 -1.65 0.00 0.00 29.97 29.29 2jmg h ARG 39 CO -0.14 1.10 -0.16 1.49 0.56 0.00 0.00 179.97 182.82 2jmg h GLU 40 N -0.68 -0.10 -0.95 0.04 4.57 0.12 0.21 114.58 117.79 2jmg h GLU 40 Ca -0.06 0.01 0.22 0.00 -1.18 0.00 0.00 59.36 58.34 2jmg h GLU 40 Cb 1.28 0.02 -0.08 0.00 -0.16 0.00 0.00 28.75 29.82 2jmg h GLU 40 CO 0.07 -0.07 0.62 -0.07 -1.18 0.00 0.00 179.01 178.39 2jmg h LEU 41 N -0.11 0.45 -1.95 1.64 3.38 -1.31 0.39 115.31 117.80 2jmg h LEU 41 Ca 0.17 0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.22 2jmg h LEU 41 Cb 0.37 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 2jmg h LEU 41 CO -0.41 0.16 0.07 -0.08 0.09 0.00 0.00 178.44 178.27 2jmg h GLU 42 N 0.43 0.06 0.00 1.13 4.81 -0.66 0.14 114.58 120.50 2jmg h GLU 42 Ca 0.51 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.74 2jmg h GLU 42 Cb 1.24 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.61 2jmg h GLU 42 CO -0.22 0.04 -0.70 -0.09 -0.73 0.00 0.00 179.01 177.31 2jmg h ARG 43 N 0.06 0.00 -1.06 1.92 9.65 -0.17 -3.33 114.38 121.45 2jmg h ARG 43 Ca 0.05 0.00 -0.45 0.00 -1.10 0.00 0.00 59.98 58.47 2jmg h ARG 43 Cb 0.11 0.00 -0.24 0.00 -1.39 0.00 0.00 29.97 28.44 2jmg h ARG 43 CO -0.01 0.00 0.58 1.19 2.80 0.00 0.00 179.97 184.53 2jmg n PHE 44 N -2.60 2.49 -2.05 2.20 3.72 -0.19 -4.85 117.46 116.19 2jmg n PHE 44 Ca 0.02 -1.90 -0.12 0.00 -0.05 0.00 0.00 57.45 55.40 2jmg n PHE 44 Cb 0.52 -0.95 -0.02 0.00 -0.94 0.00 0.00 39.48 38.09 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 -0.69 -0.56 -2.38 4.37 0.00 -1.18 -4.93 120.51 115.13 2jmg n ALA 45 Ca 0.48 0.13 -0.29 0.00 0.00 0.00 0.00 53.44 53.77 2jmg n ALA 45 Cb 1.19 -1.42 -0.15 0.00 0.00 0.00 0.00 19.45 19.07 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 -2.40 1.96 0.04 0.00 1.01 0.32 -5.04 120.40 116.30 2jmg s VAL 46 Ca 0.00 -1.24 -0.21 0.00 0.00 0.00 0.00 61.98 60.53 2jmg s VAL 46 Cb 0.00 -1.67 -0.06 0.00 0.00 0.00 0.00 36.38 34.65 2jmg s VAL 46 CO 0.00 0.38 0.64 0.20 0.00 0.00 0.00 175.10 176.32 2jmg s ASN 47 N -1.03 7.08 0.00 3.32 -0.87 -1.26 -2.54 114.94 119.65 2jmg s ASN 47 Ca 0.10 1.29 0.15 0.00 -1.57 0.00 0.00 52.86 52.83 2jmg s ASN 47 Cb -0.09 -2.39 0.72 0.00 -0.02 0.00 0.00 41.25 39.46 2jmg s ASN 47 CO 0.01 0.15 1.42 -0.81 -2.57 0.00 0.00 177.10 175.30 2jmg n PRO 48 N 2.34 0.16 0.00 -0.60 -0.04 -1.26 -2.78 135.00 132.82 2jmg n PRO 48 Ca -0.07 0.17 0.02 0.00 -0.04 0.00 0.00 63.50 63.58 2jmg n PRO 48 Cb 0.51 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.56 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 -0.99 0.09 0.55 0.00 -1.26 -3.18 105.19 100.37 2jmg n GLY 49 Ca 0.06 -0.02 -0.09 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.55 0.41 0.00 0.99 4.77 -1.12 -4.05 117.00 117.45 2jmg n LEU 50 Ca 0.02 0.19 0.09 0.00 -0.03 0.00 0.00 56.01 56.29 2jmg n LEU 50 Cb 0.01 0.33 0.45 0.00 -2.33 0.00 0.00 43.42 41.88 2jmg n LEU 50 CO 0.02 0.43 0.81 0.18 -1.33 0.00 0.00 177.39 177.49 2jmg n LEU 51 N -2.87 0.00 0.16 2.23 4.77 -1.19 -2.67 117.00 117.43 2jmg n LEU 51 Ca -0.25 0.41 0.03 0.00 -0.03 0.00 0.00 56.01 56.17 2jmg n LEU 51 Cb 1.09 -0.41 0.25 0.00 -2.33 0.00 0.00 43.42 42.02 2jmg n LEU 51 CO 0.44 -0.14 0.59 1.05 -1.33 0.00 0.00 177.39 178.00 2jmg h GLU 52 N 0.00 0.00 -6.70 3.23 4.11 -1.74 -3.44 114.58 110.03 2jmg h GLU 52 Ca 0.00 0.00 -0.68 0.00 0.07 0.00 0.00 59.36 58.75 2jmg h GLU 52 Cb 0.27 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 29.32 2jmg h GLU 52 CO 0.00 0.48 -0.81 0.95 0.07 0.00 0.00 179.01 179.70 2jmg s THR 53 N -3.54 2.72 0.34 -1.06 -4.23 -1.09 -5.02 115.64 103.75 2jmg s THR 53 Ca -0.00 -1.43 0.03 0.00 -1.18 0.00 0.00 61.69 59.11 2jmg s THR 53 Cb 0.11 -2.20 0.22 0.00 1.34 0.00 0.00 72.50 71.97 2jmg s THR 53 CO 0.72 0.19 1.96 0.77 -0.54 0.00 0.00 174.62 177.71 2jmg h SER 54 N 4.06 0.64 -0.55 3.99 4.64 -1.86 -2.38 113.55 122.09 2jmg h SER 54 Ca -0.49 -0.06 -0.10 0.00 -0.47 0.00 0.00 61.79 60.67 2jmg h SER 54 Cb 1.16 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 63.07 2jmg h SER 54 CO 0.46 0.55 -0.07 -0.33 -0.87 0.00 0.00 176.83 176.57 2jmg h GLU 55 N 0.72 1.01 -0.80 4.77 5.08 -1.96 -2.94 114.58 120.47 2jmg h GLU 55 Ca 0.18 -0.36 0.02 0.00 -1.00 0.00 0.00 59.36 58.20 2jmg h GLU 55 Cb 0.07 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.20 2jmg h GLU 55 CO -0.03 1.04 0.53 0.78 -1.00 0.00 0.00 179.01 180.33 2jmg h GLY 56 N 0.89 1.13 0.80 -3.84 0.00 -1.51 -2.68 103.07 97.85 2jmg h GLY 56 Ca 0.15 -0.41 -0.02 0.00 0.00 0.00 0.00 47.33 47.05 2jmg h GLY 56 CO 0.04 0.39 -0.18 0.00 0.00 0.00 0.00 176.54 176.80 2jmg h ARG 58 N -0.71 0.18 -0.98 0.00 2.43 -1.36 0.29 114.38 114.23 2jmg h ARG 58 Ca -0.05 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.15 2jmg h ARG 58 Cb 0.50 -0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.95 2jmg h ARG 58 CO 0.08 0.12 0.64 0.37 -1.51 0.00 0.00 179.97 179.67 2jmg h GLN 59 N 0.18 1.18 -0.01 0.20 5.75 -1.40 -1.66 115.11 119.35 2jmg h GLN 59 Ca 0.43 -0.07 -0.00 0.00 -0.15 0.00 0.00 58.65 58.85 2jmg h GLN 59 Cb 0.76 -0.27 -0.00 0.00 1.07 0.00 0.00 27.48 29.05 2jmg h GLN 59 CO -0.59 0.78 -0.00 0.82 -2.65 0.00 0.00 178.83 177.18 2jmg h ILE 60 N 1.21 1.32 -0.83 2.39 2.04 -0.18 -3.01 117.51 120.44 2jmg h ILE 60 Ca 0.40 -0.94 0.14 0.00 1.00 0.00 0.00 64.86 65.46 2jmg h ILE 60 Cb 0.05 1.94 -0.06 0.00 -0.74 0.00 0.00 36.82 38.01 2jmg h ILE 60 CO -0.13 0.25 0.54 -0.07 0.00 0.00 0.00 178.15 178.74 2jmg h LEU 61 N -0.37 0.56 -1.20 1.44 3.38 -0.70 0.09 115.31 118.52 2jmg h LEU 61 Ca 0.00 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 2jmg h LEU 61 Cb 0.40 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2jmg h LEU 61 CO 0.00 0.29 -0.13 1.23 0.09 0.00 0.00 178.44 179.92 2jmg h GLY 62 N 0.60 0.43 0.99 0.83 0.00 -1.21 0.50 103.07 105.20 2jmg h GLY 62 Ca 0.41 -0.28 -0.13 0.00 0.00 0.00 0.00 47.33 47.32 2jmg h GLY 62 CO -0.17 0.26 -0.35 -1.61 0.00 0.00 0.00 176.54 174.67 2jmg h GLN 63 N 0.37 0.71 0.00 4.80 4.15 -0.86 -3.13 115.11 121.14 2jmg h GLN 63 Ca 0.07 -0.41 0.00 0.00 0.77 0.00 0.00 58.65 59.08 2jmg h GLN 63 Cb 0.46 0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.18 2jmg h GLN 63 CO 0.03 1.03 -0.26 -0.07 -1.93 0.00 0.00 178.83 177.63 2jmg h LEU 64 N 0.44 0.00 -0.25 -2.39 3.38 -1.27 -3.36 115.31 111.85 2jmg h LEU 64 Ca 0.03 -0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.04 2jmg h LEU 64 Cb 0.94 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.62 2jmg h LEU 64 CO 0.08 0.00 -0.54 1.56 0.09 0.00 0.00 178.44 179.63 2jmg h GLN 65 N 0.00 -0.48 0.00 1.13 4.20 0.06 0.52 115.11 120.55 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 0.99 0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.88 2jmg h GLN 65 CO 0.00 -0.32 0.00 -0.35 -0.67 0.00 0.00 178.83 177.49 2jmg n PRO 66 N -5.36 0.37 -0.00 1.46 -0.04 -1.25 -1.89 135.00 128.28 2jmg n PRO 66 Ca -0.05 0.06 0.06 0.00 -0.04 0.00 0.00 63.50 63.54 2jmg n PRO 66 Cb 0.36 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.24 2jmg n PRO 66 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2jmg n SER 67 N -1.12 0.82 0.29 3.54 2.88 0.11 -4.43 113.62 115.71 2jmg n SER 67 Ca 0.10 -0.69 0.16 0.00 -1.33 0.00 0.00 58.87 57.11 2jmg n SER 67 Cb 0.08 1.10 0.90 0.00 -0.75 0.00 0.00 64.21 65.55 2jmg n SER 67 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2jmg h LEU 68 N 0.00 0.00 -0.38 2.46 3.38 0.54 0.27 115.31 121.59 2jmg h LEU 68 Ca 0.00 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 2jmg h LEU 68 Cb 0.36 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2jmg h LEU 68 CO 0.00 0.04 -0.04 -0.61 0.09 0.00 0.00 178.44 177.92 2jmg h GLN 69 N 0.00 0.70 -0.99 1.13 5.75 -1.77 -3.31 115.11 116.61 2jmg h GLN 69 Ca -0.00 -0.24 -0.47 0.00 -0.15 0.00 0.00 58.65 57.79 2jmg h GLN 69 Cb 0.11 -0.05 -0.42 0.00 1.07 0.00 0.00 27.48 28.20 2jmg h GLN 69 CO 0.00 0.82 -0.92 0.25 -2.65 0.00 0.00 178.83 176.33 2jmg n THR 70 N -4.43 1.95 -4.15 2.39 -2.24 -0.84 -5.06 114.28 101.90 2jmg n THR 70 Ca -0.01 -3.99 -0.35 0.00 -2.27 0.00 0.00 64.05 57.42 2jmg n THR 70 Cb 0.31 -0.39 -0.08 0.00 -2.10 0.00 0.00 70.33 68.07 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 -3.52 1.96 1.27 3.38 0.00 0.91 -5.03 107.32 106.28 2jmg s GLY 71 Ca 0.41 -0.74 -0.19 0.00 0.00 0.00 0.00 44.72 44.20 2jmg s GLY 71 CO -0.05 -0.38 1.02 -1.35 0.00 0.00 0.00 173.10 172.35 2jmg s SER 72 N -0.66 0.24 0.63 1.64 1.04 -1.26 -4.65 113.70 110.68 2jmg s SER 72 Ca 0.11 0.90 0.37 0.00 0.48 0.00 0.00 55.95 57.81 2jmg s SER 72 Cb -0.12 -1.31 2.09 0.00 0.10 0.00 0.00 66.02 66.78 2jmg s SER 72 CO 0.02 -4.57 2.27 -0.33 0.98 0.00 0.00 173.24 171.62 2jmg h GLU 73 N -2.88 0.00 0.22 4.02 4.39 -1.99 -2.19 114.58 116.15 2jmg h GLU 73 Ca -0.48 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.21 2jmg h GLU 73 Cb 1.32 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.98 2jmg h GLU 73 CO 0.37 0.00 -0.11 0.93 -1.16 0.00 0.00 179.01 179.04 2jmg h GLU 74 N 0.00 -0.29 -0.72 2.33 3.07 -2.00 -2.39 114.58 114.58 2jmg h GLU 74 Ca 0.01 0.02 -0.02 0.00 -0.50 0.00 0.00 59.36 58.87 2jmg h GLU 74 Cb 0.10 0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 28.04 2jmg h GLU 74 CO -0.00 0.07 0.36 1.25 -1.40 0.00 0.00 179.01 179.30 2jmg h LEU 75 N -0.74 0.93 -0.70 1.33 6.46 -1.77 -2.63 115.31 118.19 2jmg h LEU 75 Ca -0.03 -0.12 0.06 0.00 -0.12 0.00 0.00 57.88 57.67 2jmg h LEU 75 Cb 0.50 -0.24 -0.05 0.00 -0.73 0.00 0.00 40.66 40.14 2jmg h LEU 75 CO 0.05 0.78 0.40 -0.09 -0.62 0.00 0.00 178.44 178.97 2jmg h ARG 76 N 1.00 0.72 -0.50 1.25 2.43 -1.45 -1.34 114.38 116.50 2jmg h ARG 76 Ca 0.25 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.35 2jmg h ARG 76 Cb 0.09 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.45 2jmg h ARG 76 CO -0.03 0.48 0.19 0.77 -1.51 0.00 0.00 179.97 179.86 2jmg h SER 77 N 0.75 0.65 0.40 -3.80 0.02 -1.09 -2.37 113.55 108.10 2jmg h SER 77 Ca 0.31 -0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 61.16 2jmg h SER 77 Cb 0.17 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2jmg h SER 77 CO -0.17 0.59 -0.19 -0.07 -1.14 0.00 0.00 176.83 175.85 2jmg h LEU 78 N 0.71 -0.46 -0.80 5.07 -0.00 -0.93 -1.90 115.31 117.00 2jmg h LEU 78 Ca 0.17 -0.10 0.14 0.00 -0.00 0.00 0.00 57.88 58.09 2jmg h LEU 78 Cb 0.15 0.12 -0.09 0.00 -0.00 0.00 0.00 40.66 40.84 2jmg h LEU 78 CO -0.02 -0.14 0.36 0.22 -0.00 0.00 0.00 178.44 178.87 2jmg h TYR 79 N -0.80 0.63 0.00 1.13 3.20 -1.24 0.46 116.97 120.35 2jmg h TYR 79 Ca -0.06 0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.82 2jmg h TYR 79 Cb 0.53 -0.16 -0.00 0.00 1.54 0.00 0.00 36.73 38.64 2jmg h TYR 79 CO 0.01 0.11 -0.14 -0.91 -1.64 0.00 0.00 178.16 175.59 2jmg h ASN 80 N 0.52 0.00 0.00 -2.11 4.21 -1.37 -2.10 115.58 114.74 2jmg h ASN 80 Ca 0.44 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.95 2jmg h ASN 80 Cb 0.64 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.84 2jmg h ASN 80 CO -0.39 0.14 -0.01 0.74 -1.29 0.00 0.00 177.43 176.62 2jmg h THR 81 N 0.00 0.00 -1.11 2.81 2.02 0.57 -3.33 112.91 113.87 2jmg h THR 81 Ca -0.00 -0.03 0.35 0.00 0.77 0.00 0.00 66.41 67.50 2jmg h THR 81 Cb 0.46 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 66.74 2jmg h THR 81 CO 0.02 0.00 0.68 0.40 0.37 0.00 0.00 175.52 176.99 2jmg h ILE 82 N -0.03 0.29 -0.63 3.11 2.04 -0.66 0.43 117.51 122.05 2jmg h ILE 82 Ca 0.00 -0.09 0.07 0.00 1.00 0.00 0.00 64.86 65.84 2jmg h ILE 82 Cb 0.01 0.01 -0.06 0.00 -0.74 0.00 0.00 36.82 36.03 2jmg h ILE 82 CO 0.00 0.05 0.31 0.00 0.00 0.00 0.00 178.15 178.51 2jmg h ALA 83 N 1.72 0.84 0.56 1.87 0.00 -1.56 -0.84 119.26 121.86 2jmg h ALA 83 Ca 0.73 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.66 2jmg h ALA 83 Cb 1.93 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 19.67 2jmg h ALA 83 CO -0.48 -0.06 -0.27 0.28 0.00 0.00 0.00 179.25 178.72 2jmg h VAL 84 N 0.57 0.37 -0.67 0.00 2.07 -0.26 -3.11 116.25 115.21 2jmg h VAL 84 Ca 0.30 -0.27 0.14 0.00 0.82 0.00 0.00 66.70 67.69 2jmg h VAL 84 Cb 0.27 0.47 -0.11 0.00 -1.52 0.00 0.00 31.29 30.40 2jmg h VAL 84 CO -0.23 0.04 0.06 0.25 0.02 0.00 0.00 177.57 177.71 2jmg h LEU 85 N -0.94 -0.19 -0.84 2.57 5.85 -1.29 0.35 115.31 120.82 2jmg h LEU 85 Ca -0.08 0.16 0.21 0.00 0.84 0.00 0.00 57.88 59.01 2jmg h LEU 85 Cb 0.64 0.26 -0.13 0.00 0.37 0.00 0.00 40.66 41.79 2jmg h LEU 85 CO 0.13 -0.10 0.24 0.22 -0.34 0.00 0.00 178.44 178.59 2jmg h TYR 86 N 0.16 0.37 -0.31 1.25 3.20 -1.10 0.29 116.97 120.82 2jmg h TYR 86 Ca 0.36 0.05 -0.14 0.00 3.14 0.00 0.00 58.73 62.14 2jmg h TYR 86 Cb 0.60 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.84 2jmg h TYR 86 CO -0.34 -0.15 -0.37 0.00 -1.64 0.00 0.00 178.16 175.66 2jmg h VAL 88 N 0.60 0.97 0.00 0.00 2.07 0.30 0.16 116.25 120.34 2jmg h VAL 88 Ca 0.06 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 2jmg h VAL 88 Cb 0.91 0.76 -0.00 0.00 -1.52 0.00 0.00 31.29 31.43 2jmg h VAL 88 CO 0.08 0.03 -1.34 1.41 0.02 0.00 0.00 177.57 177.78 2jmg n HIS 89 N -4.49 0.69 -0.18 1.57 -0.00 -0.66 -4.09 115.22 108.05 2jmg n HIS 89 Ca 0.02 0.20 -0.12 0.00 -0.00 0.00 0.00 57.72 57.82 2jmg n HIS 89 Cb 0.21 -0.84 0.10 0.00 -0.00 0.00 0.00 29.99 29.45 2jmg n HIS 89 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 176.34 177.28 2jmg n GLN 90 N -2.58 1.72 -3.56 -0.41 -0.06 -0.57 -4.84 117.38 107.08 2jmg n GLN 90 Ca -0.03 -1.61 -0.22 0.00 -2.00 0.00 0.00 57.00 53.15 2jmg n GLN 90 Cb 0.59 -1.64 0.08 0.00 -4.06 0.00 0.00 30.24 25.21 2jmg n GLN 90 CO 0.00 0.00 0.00 -2.13 -0.20 0.00 0.00 177.06 174.73 2jmg n ARG 91 N -0.35 -7.13 -4.64 3.69 3.00 -1.19 -5.00 116.66 105.05 2jmg n ARG 91 Ca 0.31 0.81 -0.24 0.00 -0.00 0.00 0.00 57.85 58.73 2jmg n ARG 91 Cb 1.12 -5.82 -0.16 0.00 0.00 0.00 0.00 32.46 27.60 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 -3.35 1.16 -0.51 5.15 1.01 0.47 -5.04 121.20 120.08 2jmg s ILE 92 Ca 0.33 -0.55 0.02 0.00 0.00 0.00 0.00 60.65 60.46 2jmg s ILE 92 Cb -0.15 -1.02 0.44 0.00 0.01 0.00 0.00 42.46 41.74 2jmg s ILE 92 CO 0.74 0.35 1.58 -0.67 0.00 0.00 0.00 174.94 176.94 2jmg n ASP 93 N 3.36 6.19 -0.35 3.58 -0.08 -1.26 -3.47 116.55 124.52 2jmg n ASP 93 Ca -0.19 -3.77 -0.05 0.00 -1.51 0.00 0.00 54.79 49.27 2jmg n ASP 93 Cb 0.53 -0.67 -0.01 0.00 2.34 0.00 0.00 41.12 43.31 2jmg n ASP 93 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 2jmg n VAL 94 N -0.73 0.00 0.27 5.18 0.24 -1.26 -4.74 118.33 117.28 2jmg n VAL 94 Ca 0.51 0.00 0.16 0.00 -2.04 0.00 0.00 64.34 62.98 2jmg n VAL 94 Cb 0.73 -0.01 0.63 0.00 -1.47 0.00 0.00 33.84 33.72 2jmg n VAL 94 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 2jmg h LYS 95 N 0.26 0.00 -2.32 7.34 6.56 -1.94 -3.42 116.57 123.05 2jmg h LYS 95 Ca -0.04 0.00 0.18 0.00 -1.06 0.00 0.00 60.65 59.73 2jmg h LYS 95 Cb 0.11 0.00 -0.07 0.00 -0.57 0.00 0.00 32.23 31.70 2jmg h LYS 95 CO 0.05 0.02 0.52 0.16 -2.06 0.00 0.00 179.45 178.14 2jmg s ASP 96 N -5.77 -0.13 0.16 0.86 1.47 -1.26 -3.76 116.67 108.23 2jmg s ASP 96 Ca 0.02 -0.45 -0.21 0.00 1.18 0.00 0.00 52.55 53.09 2jmg s ASP 96 Cb 0.09 0.48 0.07 0.00 -0.34 0.00 0.00 42.92 43.21 2jmg s ASP 96 CO 0.56 -0.89 1.62 0.74 0.68 0.00 0.00 175.17 177.88 2jmg h THR 97 N 2.00 0.35 -0.23 2.11 2.02 -1.11 -1.88 112.91 116.17 2jmg h THR 97 Ca -0.25 0.00 0.06 0.00 0.77 0.00 0.00 66.41 66.99 2jmg h THR 97 Cb 1.23 0.35 -0.06 0.00 -1.74 0.00 0.00 68.15 67.92 2jmg h THR 97 CO 0.28 0.00 -0.19 0.50 0.37 0.00 0.00 175.52 176.47 2jmg h LYS 98 N -0.21 -0.19 -0.99 6.66 3.64 -1.88 -1.02 116.57 122.59 2jmg h LYS 98 Ca 0.17 0.01 0.31 0.00 -1.27 0.00 0.00 60.65 59.87 2jmg h LYS 98 Cb 0.48 0.04 -0.15 0.00 -0.41 0.00 0.00 32.23 32.19 2jmg h LYS 98 CO -0.47 -0.13 0.52 1.49 -2.27 0.00 0.00 179.45 178.59 2jmg h GLU 99 N -0.20 0.30 -0.22 1.90 4.57 -1.74 0.28 114.58 119.47 2jmg h GLU 99 Ca 0.13 -0.02 0.01 0.00 -1.18 0.00 0.00 59.36 58.31 2jmg h GLU 99 Cb 0.40 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.90 2jmg h GLU 99 CO -0.34 0.20 0.11 0.00 -1.18 0.00 0.00 179.01 177.80 2jmg h ALA 100 N 1.84 0.27 0.73 2.92 0.00 -0.85 0.49 119.26 124.66 2jmg h ALA 100 Ca 0.71 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.59 2jmg h ALA 100 Cb 1.59 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.34 2jmg h ALA 100 CO -0.61 -0.30 -0.46 -0.07 0.00 0.00 0.00 179.25 177.81 2jmg h LEU 101 N 0.24 -1.17 -1.76 0.00 -0.00 -0.34 0.20 115.31 112.47 2jmg h LEU 101 Ca 0.09 0.07 0.00 0.00 -0.00 0.00 0.00 57.88 58.04 2jmg h LEU 101 Cb 0.02 0.35 0.00 0.00 -0.00 0.00 0.00 40.66 41.03 2jmg h LEU 101 CO -0.06 -0.70 0.01 0.44 -0.00 0.00 0.00 178.44 178.12 2jmg h ASP 102 N -1.12 0.00 0.00 -0.43 3.32 -1.37 -1.94 116.42 114.88 2jmg h ASP 102 Ca -0.10 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.92 2jmg h ASP 102 Cb 0.90 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.44 2jmg h ASP 102 CO 0.09 0.00 -0.27 0.11 -1.72 0.00 0.00 179.24 177.45 2jmg h LYS 103 N 0.00 0.00 -0.47 3.56 1.79 0.13 -3.16 116.57 118.42 2jmg h LYS 103 Ca 0.00 0.00 0.07 0.00 -2.18 0.00 0.00 60.65 58.54 2jmg h LYS 103 Cb 0.02 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.64 2jmg h LYS 103 CO 0.00 0.41 0.32 0.82 -1.08 0.00 0.00 179.45 179.92 2jmg h ILE 104 N -1.00 0.94 -0.49 1.86 2.04 -0.28 -1.23 117.51 119.36 2jmg h ILE 104 Ca -0.05 -0.12 -0.12 0.00 1.00 0.00 0.00 64.86 65.57 2jmg h ILE 104 Cb 0.55 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 2jmg h ILE 104 CO -0.03 0.06 -0.19 -0.33 0.00 0.00 0.00 178.15 177.67 2jmg h GLU 105 N 0.35 0.97 -0.10 2.37 5.08 -1.50 -2.84 114.58 118.90 2jmg h GLU 105 Ca 0.21 -0.39 -0.08 0.00 -1.00 0.00 0.00 59.36 58.10 2jmg h GLU 105 Cb 0.38 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2jmg h GLU 105 CO -0.05 1.06 -0.30 1.49 -1.00 0.00 0.00 179.01 180.22 2jmg h GLU 106 N 0.84 0.18 0.00 2.33 4.81 -1.20 -0.68 114.58 120.86 2jmg h GLU 106 Ca 0.12 -0.07 -0.07 0.00 -0.13 0.00 0.00 59.36 59.22 2jmg h GLU 106 Cb 0.75 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.11 2jmg h GLU 106 CO 0.06 0.47 -0.31 0.93 -0.73 0.00 0.00 179.01 179.43 2jmg h GLU 107 N 0.16 0.00 0.11 1.92 4.39 -1.19 -3.10 114.58 116.87 2jmg h GLU 107 Ca 0.02 0.00 -0.34 0.00 0.34 0.00 0.00 59.36 59.39 2jmg h GLU 107 Cb 0.62 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.25 2jmg h GLU 107 CO 0.04 0.31 -1.81 0.37 -1.16 0.00 0.00 179.01 176.77 2jmg h GLN 108 N 0.00 0.23 -0.86 2.33 4.15 -1.21 -3.10 115.11 116.65 2jmg h GLN 108 Ca -0.00 -0.39 0.12 0.00 0.77 0.00 0.00 58.65 59.15 2jmg h GLN 108 Cb 0.76 0.15 -0.06 0.00 0.21 0.00 0.00 27.48 28.53 2jmg h GLN 108 CO 0.04 1.07 0.56 -0.97 -1.93 0.00 0.00 178.83 177.60 2jmg h ASN 109 N 0.06 0.67 0.55 -0.69 -1.24 -1.08 -1.33 115.58 112.51 2jmg h ASN 109 Ca -0.35 0.03 -0.29 0.00 0.71 0.00 0.00 56.30 56.41 2jmg h ASN 109 Cb 2.04 -0.10 -0.00 0.00 0.73 0.00 0.00 38.32 40.98 2jmg h ASN 109 CO 0.12 0.36 -1.39 0.07 -1.29 0.00 0.00 177.43 175.30 2jmg h LYS 110 N 0.72 0.25 -0.10 6.67 2.10 -1.68 -3.29 116.57 121.25 2jmg h LYS 110 Ca 0.42 -0.43 0.03 0.00 -2.00 0.00 0.00 60.65 58.67 2jmg h LYS 110 Cb 0.61 0.16 -0.00 0.00 -0.90 0.00 0.00 32.23 32.09 2jmg h LYS 110 CO -0.18 1.15 0.08 1.03 -2.00 0.00 0.00 179.45 179.53 2jmg h SER 111 N 0.07 0.00 0.58 7.07 0.87 -1.19 0.65 113.55 121.60 2jmg h SER 111 Ca -0.19 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.31 2jmg h SER 111 Cb 1.99 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.94 2jmg h SER 111 CO 0.18 0.00 -0.30 0.50 -0.53 0.00 0.00 176.83 176.68 2jmg h LYS 112 N 0.00 0.00 0.00 2.24 3.64 -1.42 -1.79 116.57 119.24 2jmg h LYS 112 Ca 0.05 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 59.18 2jmg h LYS 112 Cb 0.21 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.99 2jmg h LYS 112 CO -0.00 0.30 -1.79 1.63 -2.27 0.00 0.00 179.45 177.32 2jmg n LYS 113 N -3.72 0.64 -1.42 1.90 4.76 0.07 -4.20 118.16 116.18 2jmg n LYS 113 Ca -0.01 0.16 -0.27 0.00 -2.87 0.00 0.00 58.31 55.33 2jmg n LYS 113 Cb 0.40 -1.71 0.09 0.00 -1.84 0.00 0.00 35.03 31.97 2jmg n LYS 113 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2jmg n LYS 114 N -2.87 2.76 -0.92 1.97 5.02 -0.31 -4.60 118.16 119.21 2jmg n LYS 114 Ca -0.17 -3.47 -0.09 0.00 -2.02 0.00 0.00 58.31 52.56 2jmg n LYS 114 Cb 0.97 -2.21 0.24 0.00 -0.02 0.00 0.00 35.03 34.01 2jmg n LYS 114 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2jmg n ALA 115 N -0.92 4.49 0.14 7.82 0.00 -0.69 -4.31 120.51 127.03 2jmg n ALA 115 Ca 0.54 -2.08 0.00 0.00 0.00 0.00 0.00 53.44 51.90 2jmg n ALA 115 Cb 0.91 -1.26 0.12 0.00 0.00 0.00 0.00 19.45 19.22 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 1.96 0.00 0.00 0.00 3.07 -1.87 -2.52 115.11 115.75 2jmg h GLN 116 Ca 0.30 0.00 -0.23 0.00 0.09 0.00 0.00 58.65 58.81 2jmg h GLN 116 Cb 2.22 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 29.74 2jmg h GLN 116 CO 0.71 0.61 -1.98 0.94 0.09 0.00 0.00 178.83 179.20 2jmg n GLN 117 N -3.48 0.66 0.15 0.06 7.27 -1.26 -4.20 117.38 116.58 2jmg n GLN 117 Ca 0.00 0.04 0.03 0.00 0.07 0.00 0.00 57.00 57.14 2jmg n GLN 117 Cb 0.69 -1.62 0.16 0.00 2.41 0.00 0.00 30.24 31.87 2jmg n GLN 117 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2jmg h ALA 118 N 1.33 0.80 -1.21 1.69 0.00 -1.81 -3.32 119.26 116.74 2jmg h ALA 118 Ca -0.30 -0.46 -0.81 0.00 0.00 0.00 0.00 54.91 53.35 2jmg h ALA 118 Cb 1.77 -0.08 -0.26 0.00 0.00 0.00 0.00 17.79 19.22 2jmg h ALA 118 CO 0.03 0.63 1.11 0.00 0.00 0.00 0.00 179.25 181.02 2jmg n ALA 119 N -2.28 6.12 -2.18 0.00 0.00 -0.95 -4.36 120.51 116.86 2jmg n ALA 119 Ca 0.01 -4.58 -0.00 0.00 0.00 0.00 0.00 53.44 48.86 2jmg n ALA 119 Cb 0.65 -2.22 -0.01 0.00 0.00 0.00 0.00 19.45 17.87 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 2.62 0.00 0.00 0.00 -1.25 -4.92 120.51 116.99 2jmg n ALA 120 Ca 0.48 -1.25 0.00 0.00 0.00 0.00 0.00 53.44 52.67 2jmg n ALA 120 Cb 0.26 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 19.25 2jmg n ALA 120 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2jmg n ASP 121 N 0.18 1.15 -0.59 0.00 9.92 -1.26 -5.14 116.55 120.82 2jmg n ASP 121 Ca -0.06 0.00 0.01 0.00 -0.53 0.00 0.00 54.79 54.21 2jmg n ASP 121 Cb 0.83 0.00 -0.00 0.00 -0.64 0.00 0.00 41.12 41.31 2jmg n ASP 121 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 2jmg n THR 122 N -2.49 0.00 0.00 -3.53 -2.24 -1.26 -5.01 114.28 99.75 2jmg n THR 122 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2jmg n THR 122 Cb 0.31 -0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.52 2jmg n THR 122 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jmg n GLY 123 N -0.23 1.21 2.77 3.38 0.00 -1.26 -5.15 105.19 105.91 2jmg n GLY 123 Ca 0.00 -0.03 -0.18 0.00 0.00 0.00 0.00 46.02 45.82 2jmg n GLY 123 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2jmg s ASN 124 N 1.36 0.72 0.01 1.61 0.01 -1.26 -5.15 114.94 112.25 2jmg s ASN 124 Ca 0.00 0.18 -0.15 0.00 -0.71 0.00 0.00 52.86 52.18 2jmg s ASN 124 Cb 0.00 0.05 0.02 0.00 0.41 0.00 0.00 41.25 41.73 2jmg s ASN 124 CO 0.00 -0.22 0.33 0.20 -1.51 0.00 0.00 177.10 175.90 2jmg s ASN 125 N 1.95 -0.19 -0.09 -1.22 0.01 -1.26 -5.17 114.94 108.98 2jmg s ASN 125 Ca 0.01 -0.01 -0.06 0.00 -0.71 0.00 0.00 52.86 52.10 2jmg s ASN 125 Cb -0.12 0.34 0.04 0.00 0.41 0.00 0.00 41.25 41.92 2jmg s ASN 125 CO -0.04 -0.53 0.22 -0.94 -1.51 0.00 0.00 177.10 174.29 2jmg s SER 126 N -1.65 -0.22 0.69 -1.22 1.04 -1.26 -5.15 113.70 105.93 2jmg s SER 126 Ca -0.10 0.45 -0.17 0.00 0.48 0.00 0.00 55.95 56.62 2jmg s SER 126 Cb -0.03 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.47 2jmg s SER 126 CO 0.01 -0.13 1.11 0.00 0.98 0.00 0.00 173.24 175.21 2jmg n GLN 127 N 3.78 0.72 -2.53 4.02 10.64 -1.26 -5.01 117.38 127.74 2jmg n GLN 127 Ca -0.21 0.30 -0.22 0.00 -1.83 0.00 0.00 57.00 55.04 2jmg n GLN 127 Cb 0.55 -2.35 0.05 0.00 -0.86 0.00 0.00 30.24 27.63 2jmg n GLN 127 CO 0.00 0.00 0.00 0.14 -1.83 0.00 0.00 177.06 175.37 2jmg s VAL 128 N -1.67 2.55 -0.19 -0.39 -7.23 -1.26 -5.10 120.40 107.10 2jmg s VAL 128 Ca 0.77 -0.57 -0.04 0.00 -1.81 0.00 0.00 61.98 60.33 2jmg s VAL 128 Cb -0.36 -2.98 0.07 0.00 0.56 0.00 0.00 36.38 33.66 2jmg s VAL 128 CO 0.46 0.00 0.08 -0.55 -0.31 0.00 0.00 175.10 174.79 2jmg s SER 129 N -4.46 2.66 -0.42 4.85 0.15 -1.26 -5.03 113.70 110.19 2jmg s SER 129 Ca 0.58 -0.77 0.10 0.00 0.70 0.00 0.00 55.95 56.57 2jmg s SER 129 Cb -0.10 -0.34 0.34 0.00 -1.71 0.00 0.00 66.02 64.20 2jmg s SER 129 CO 0.40 -0.35 0.76 0.00 1.20 0.00 0.00 173.24 175.24 2jmg n GLN 130 N 5.22 1.43 -1.61 5.44 6.02 -1.26 -4.99 117.38 127.63 2jmg n GLN 130 Ca -0.07 -3.68 -0.40 0.00 -0.01 0.00 0.00 57.00 52.84 2jmg n GLN 130 Cb 0.48 -1.79 -0.02 0.00 1.02 0.00 0.00 30.24 29.93 2jmg n GLN 130 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 2jmg n ASN 131 N 0.27 8.38 0.00 1.08 0.23 -1.26 -5.38 115.26 118.58 2jmg n ASN 131 Ca 0.26 -2.82 0.00 0.00 -0.53 0.00 0.00 54.58 51.49 2jmg n ASN 131 Cb 0.59 -1.48 0.00 0.00 -2.08 0.00 0.00 39.78 36.82 2jmg n ASN 131 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33