#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 0.00 -1.26 4.61 0.00 -1.26 -4.97 120.51 117.63 2jmg n ALA 3 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 2jmg n ALA 3 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 2jmg n ALA 3 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2jmg n ARG 4 N -0.84 2.84 -0.03 0.00 1.74 -1.26 -4.91 116.66 114.20 2jmg n ARG 4 Ca 0.00 -2.08 0.00 0.00 -0.77 0.00 0.00 57.85 55.00 2jmg n ARG 4 Cb 0.00 -2.86 -0.00 0.00 -1.02 0.00 0.00 32.46 28.58 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 4.85 -0.11 -1.22 7.54 0.00 -1.26 -4.99 120.51 125.31 2jmg n ALA 5 Ca 0.61 0.01 0.10 0.00 0.00 0.00 0.00 53.44 54.16 2jmg n ALA 5 Cb 0.27 -0.04 -0.06 0.00 0.00 0.00 0.00 19.45 19.63 2jmg n ALA 5 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2jmg n SER 6 N -3.47 -6.62 0.00 0.00 7.64 -1.26 -5.04 113.62 104.87 2jmg n SER 6 Ca 0.00 1.31 0.00 0.00 1.01 0.00 0.00 58.87 61.19 2jmg n SER 6 Cb 0.01 -4.09 0.00 0.00 -1.01 0.00 0.00 64.21 59.13 2jmg n SER 6 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2jmg n ARG 7 N -3.50 0.00 -0.64 1.43 5.12 -1.26 -5.00 116.66 112.81 2jmg n ARG 7 Ca -0.06 0.00 -0.06 0.00 -1.93 0.00 0.00 57.85 55.80 2jmg n ARG 7 Cb 0.52 -0.03 0.04 0.00 -1.16 0.00 0.00 32.46 31.83 2jmg n ARG 7 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 2jmg n LEU 8 N -2.33 0.00 0.00 0.55 4.77 -1.26 -5.12 117.00 113.61 2jmg n LEU 8 Ca 0.00 -0.37 -0.07 0.00 -0.03 0.00 0.00 56.01 55.53 2jmg n LEU 8 Cb 0.00 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 2jmg n LEU 8 CO 0.00 -0.67 0.26 -0.24 -1.33 0.00 0.00 177.39 175.41 2jmg n SER 9 N -3.12 -1.29 -0.31 -1.43 2.88 -1.26 -5.01 113.62 104.08 2jmg n SER 9 Ca 0.04 -2.13 0.14 0.00 -1.33 0.00 0.00 58.87 55.59 2jmg n SER 9 Cb 0.13 2.22 0.33 0.00 -0.75 0.00 0.00 64.21 66.13 2jmg n SER 9 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 2jmg h GLY 10 N 1.31 1.61 0.73 0.46 0.00 -2.00 0.31 103.07 105.48 2jmg h GLY 10 Ca -0.21 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 46.93 2jmg h GLY 10 CO 0.27 -0.28 -0.37 -1.33 0.00 0.00 0.00 176.54 174.82 2jmg h GLY 11 N 0.41 -0.93 2.00 4.60 0.00 -2.02 -2.27 103.07 104.86 2jmg h GLY 11 Ca 0.58 0.42 -0.03 0.00 0.00 0.00 0.00 47.33 48.30 2jmg h GLY 11 CO -0.53 -0.33 -0.15 0.83 0.00 0.00 0.00 176.54 176.36 2jmg h GLU 12 N -0.84 0.00 0.00 4.80 4.39 -1.74 -2.47 114.58 118.72 2jmg h GLU 12 Ca -0.05 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.60 2jmg h GLU 12 Cb 0.72 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.36 2jmg h GLU 12 CO 0.00 0.15 -0.22 1.25 -1.16 0.00 0.00 179.01 179.04 2jmg h LEU 13 N 0.00 0.00 -0.48 1.33 5.85 0.13 -1.49 115.31 120.64 2jmg h LEU 13 Ca -0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 2jmg h LEU 13 Cb 0.50 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 2jmg h LEU 13 CO 0.02 0.22 0.26 -0.78 -0.34 0.00 0.00 178.44 177.81 2jmg h ASP 14 N 0.00 0.61 0.08 1.25 3.58 -0.96 -1.33 116.42 119.64 2jmg h ASP 14 Ca -0.00 -0.10 -0.26 0.00 0.42 0.00 0.00 57.03 57.09 2jmg h ASP 14 Cb 0.44 -0.15 0.02 0.00 1.72 0.00 0.00 39.33 41.36 2jmg h ASP 14 CO 0.03 0.53 -1.07 0.11 -2.88 0.00 0.00 179.24 175.96 2jmg h LYS 15 N 0.64 0.58 -0.90 0.28 1.57 -1.63 -2.95 116.57 114.15 2jmg h LYS 15 Ca 0.17 -0.73 0.10 0.00 -1.87 0.00 0.00 60.65 58.31 2jmg h LYS 15 Cb 0.06 0.23 -0.07 0.00 0.08 0.00 0.00 32.23 32.54 2jmg h LYS 15 CO -0.03 1.32 0.58 2.35 -0.57 0.00 0.00 179.45 183.10 2jmg h TRP 16 N 0.18 0.97 -0.00 -1.35 2.91 -1.19 0.22 115.95 117.69 2jmg h TRP 16 Ca -0.16 0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.89 2jmg h TRP 16 Cb 1.76 -0.31 0.00 0.00 -0.51 0.00 0.00 29.16 30.10 2jmg h TRP 16 CO 0.13 0.44 -0.12 0.39 -1.03 0.00 0.00 178.44 178.24 2jmg n GLU 17 N -4.53 0.60 0.17 2.65 1.02 -0.51 -3.40 120.64 116.64 2jmg n GLU 17 Ca 0.15 -0.20 0.12 0.00 -0.02 0.00 0.00 57.16 57.22 2jmg n GLU 17 Cb 0.31 -1.50 0.27 0.00 -0.02 0.00 0.00 31.44 30.50 2jmg n GLU 17 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 2jmg h LYS 18 N 0.49 0.00 -6.17 3.49 3.11 -0.37 -3.41 116.57 113.71 2jmg h LYS 18 Ca 0.00 0.00 -0.55 0.00 -2.81 0.00 0.00 60.65 57.29 2jmg h LYS 18 Cb 0.37 0.00 -0.04 0.00 -1.00 0.00 0.00 32.23 31.56 2jmg h LYS 18 CO 0.00 0.00 0.17 0.42 -2.81 0.00 0.00 179.45 177.23 2jmg s ILE 19 N -3.17 4.96 0.15 2.00 1.01 -1.18 -4.97 121.20 120.00 2jmg s ILE 19 Ca 0.08 1.63 -0.15 0.00 0.00 0.00 0.00 60.65 62.22 2jmg s ILE 19 Cb 0.08 -4.12 -0.07 0.00 0.01 0.00 0.00 42.46 38.36 2jmg s ILE 19 CO 0.64 0.24 0.57 -0.13 0.00 0.00 0.00 174.94 176.26 2jmg s ARG 20 N 0.73 4.02 0.05 2.79 0.52 -1.26 -2.02 118.95 123.79 2jmg s ARG 20 Ca 0.41 0.54 -0.19 0.00 -0.52 0.00 0.00 55.73 55.98 2jmg s ARG 20 Cb -0.19 -2.93 -0.14 0.00 0.52 0.00 0.00 34.95 32.21 2jmg s ARG 20 CO 0.21 0.47 1.33 -0.07 0.02 0.00 0.00 175.30 177.27 2jmg h LEU 21 N 3.57 0.50 -9.96 2.53 3.38 -0.62 -2.42 115.31 112.29 2jmg h LEU 21 Ca -0.49 -0.52 -0.50 0.00 0.09 0.00 0.00 57.88 56.46 2jmg h LEU 21 Cb 1.19 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.76 2jmg h LEU 21 CO 0.66 0.92 -0.49 -0.13 0.09 0.00 0.00 178.44 179.48 2jmg s ARG 22 N -4.17 2.76 -0.01 1.13 0.52 -1.26 -3.79 118.95 114.13 2jmg s ARG 22 Ca -0.14 -1.23 -0.25 0.00 -0.52 0.00 0.00 55.73 53.59 2jmg s ARG 22 Cb 0.06 -2.48 -0.20 0.00 0.52 0.00 0.00 34.95 32.86 2jmg s ARG 22 CO 0.78 0.22 1.28 -1.00 0.02 0.00 0.00 175.30 176.59 2jmg h PRO 23 N 1.38 0.05 -0.35 3.54 0.13 -1.89 -3.33 132.00 131.53 2jmg h PRO 23 Ca -0.46 -0.03 -0.23 0.00 -0.87 0.00 0.00 66.00 64.42 2jmg h PRO 23 Cb 1.25 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.23 2jmg h PRO 23 CO 0.60 0.52 -0.37 0.41 -0.23 0.00 0.00 178.00 178.93 2jmg n GLY 24 N 0.22 5.40 0.00 1.56 0.00 -1.26 -4.92 105.19 106.19 2jmg n GLY 24 Ca -0.08 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.29 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 -1.02 3.32 0.00 -0.02 0.00 -1.25 -5.06 105.19 101.16 2jmg n GLY 25 Ca 0.32 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 44.22 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 -0.41 -0.44 -2.95 1.61 4.81 -1.26 -4.91 118.16 114.60 2jmg n LYS 26 Ca 0.00 -0.56 -0.34 0.00 -0.87 0.00 0.00 58.31 56.55 2jmg n LYS 26 Cb 0.00 -0.94 -0.07 0.00 0.02 0.00 0.00 35.03 34.04 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 -0.11 4.19 0.01 1.64 2.47 -1.26 -4.98 119.74 121.70 2jmg s LYS 27 Ca 0.00 0.97 0.00 0.00 -1.56 0.00 0.00 55.97 55.38 2jmg s LYS 27 Cb 0.00 -2.40 -0.00 0.00 -1.46 0.00 0.00 37.83 33.97 2jmg s LYS 27 CO 0.00 0.11 0.00 1.04 0.16 0.00 0.00 175.35 176.66 2jmg n GLN 28 N -0.29 0.24 -3.71 4.03 3.00 -1.26 0.05 117.38 119.44 2jmg n GLN 28 Ca 0.04 -0.06 -0.32 0.00 -0.01 0.00 0.00 57.00 56.65 2jmg n GLN 28 Cb 0.53 0.05 -0.05 0.00 0.00 0.00 0.00 30.24 30.77 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 -1.91 3.50 0.24 1.08 2.02 -0.85 -4.54 117.35 116.88 2jmg s TYR 29 Ca 0.01 0.53 -0.00 0.00 -0.37 0.00 0.00 57.07 57.23 2jmg s TYR 29 Cb 0.00 -1.98 -0.03 0.00 -0.40 0.00 0.00 41.96 39.55 2jmg s TYR 29 CO 0.00 0.48 0.22 0.15 -1.57 0.00 0.00 175.55 174.83 2jmg s LYS 30 N -2.51 1.40 0.47 -0.62 1.02 -1.26 -4.16 119.74 114.07 2jmg s LYS 30 Ca 0.39 -1.68 0.25 0.00 0.02 0.00 0.00 55.97 54.94 2jmg s LYS 30 Cb -0.12 0.31 1.28 0.00 -0.52 0.00 0.00 37.83 38.78 2jmg s LYS 30 CO 0.24 -0.50 1.83 -0.07 -0.92 0.00 0.00 175.35 175.93 2jmg h LEU 31 N 2.45 0.24 -1.22 3.17 3.38 -1.98 0.60 115.31 121.95 2jmg h LEU 31 Ca -0.32 0.04 0.31 0.00 0.09 0.00 0.00 57.88 58.00 2jmg h LEU 31 Cb 1.25 -0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.87 2jmg h LEU 31 CO 0.47 0.07 0.67 0.11 0.09 0.00 0.00 178.44 179.84 2jmg h LYS 32 N 0.22 0.33 0.03 1.13 1.79 -2.00 -0.59 116.57 117.49 2jmg h LYS 32 Ca 0.52 -0.02 -0.04 0.00 -2.18 0.00 0.00 60.65 58.93 2jmg h LYS 32 Cb 1.62 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 32.20 2jmg h LYS 32 CO -0.14 0.22 -0.18 0.45 -1.08 0.00 0.00 179.45 178.72 2jmg h HIS 33 N 0.34 0.13 -0.92 -1.35 3.86 -1.29 -2.38 115.15 113.55 2jmg h HIS 33 Ca 0.69 -0.09 0.26 0.00 -1.16 0.00 0.00 60.37 60.07 2jmg h HIS 33 Cb 1.72 -0.01 -0.04 0.00 1.06 0.00 0.00 27.41 30.14 2jmg h HIS 33 CO -0.01 1.04 0.65 0.82 0.86 0.00 0.00 177.93 181.30 2jmg h ILE 34 N -0.83 0.55 0.03 2.45 2.04 -1.16 0.13 117.51 120.72 2jmg h ILE 34 Ca -0.03 -0.01 -0.09 0.00 1.00 0.00 0.00 64.86 65.73 2jmg h ILE 34 Cb 1.11 0.51 -0.00 0.00 -0.74 0.00 0.00 36.82 37.70 2jmg h ILE 34 CO 0.03 0.01 -0.43 0.58 0.00 0.00 0.00 178.15 178.34 2jmg h VAL 35 N 0.04 1.55 -0.86 1.67 2.07 -1.29 -2.78 116.25 116.66 2jmg h VAL 35 Ca 0.44 -2.35 0.07 0.00 0.82 0.00 0.00 66.70 65.68 2jmg h VAL 35 Cb 1.70 3.12 -0.06 0.00 -1.52 0.00 0.00 31.29 34.53 2jmg h VAL 35 CO -0.02 0.58 0.53 -0.25 0.02 0.00 0.00 177.57 178.42 2jmg h TRP 36 N -0.86 0.97 0.22 1.57 7.01 -0.69 0.94 115.95 125.11 2jmg h TRP 36 Ca -0.10 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 60.92 2jmg h TRP 36 Cb 1.20 -0.31 0.00 0.00 -2.10 0.00 0.00 29.16 27.95 2jmg h TRP 36 CO 0.23 0.48 -0.11 0.00 -2.79 0.00 0.00 178.44 176.25 2jmg h ALA 37 N 1.41 -0.30 -0.66 2.65 0.00 -0.93 0.38 119.26 121.81 2jmg h ALA 37 Ca 0.38 -0.19 0.10 0.00 0.00 0.00 0.00 54.91 55.20 2jmg h ALA 37 Cb 0.20 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 2jmg h ALA 37 CO -0.18 -0.46 0.44 0.66 0.00 0.00 0.00 179.25 179.70 2jmg h SER 38 N -0.71 0.43 0.02 0.00 4.64 -1.26 -0.39 113.55 116.28 2jmg h SER 38 Ca -0.03 0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.27 2jmg h SER 38 Cb 0.49 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 2jmg h SER 38 CO 0.05 0.25 -0.12 -0.09 -0.87 0.00 0.00 176.83 176.05 2jmg h ARG 39 N 0.47 0.05 -0.06 4.77 9.65 -0.76 -3.22 114.38 125.28 2jmg h ARG 39 Ca 0.31 -0.08 0.04 0.00 -1.10 0.00 0.00 59.98 59.15 2jmg h ARG 39 Cb 0.56 0.03 -0.05 0.00 -1.39 0.00 0.00 29.97 29.11 2jmg h ARG 39 CO -0.09 1.02 -0.28 1.49 2.80 0.00 0.00 179.97 184.91 2jmg h GLU 40 N -0.89 -0.37 -0.84 0.20 4.57 0.19 -0.48 114.58 116.96 2jmg h GLU 40 Ca -0.02 0.03 0.20 0.00 -1.18 0.00 0.00 59.36 58.38 2jmg h GLU 40 Cb 1.08 0.08 -0.05 0.00 -0.16 0.00 0.00 28.75 29.71 2jmg h GLU 40 CO 0.02 -0.25 0.57 -0.07 -1.18 0.00 0.00 179.01 178.10 2jmg h LEU 41 N -0.39 0.28 -1.96 1.64 3.38 -1.23 0.74 115.31 117.77 2jmg h LEU 41 Ca 0.08 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 2jmg h LEU 41 Cb 0.51 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 2jmg h LEU 41 CO -0.28 0.12 -0.03 -0.08 0.09 0.00 0.00 178.44 178.26 2jmg h GLU 42 N 0.29 0.00 0.00 1.13 4.81 -1.09 -2.23 114.58 117.48 2jmg h GLU 42 Ca 0.42 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.64 2jmg h GLU 42 Cb 1.20 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.58 2jmg h GLU 42 CO -0.12 0.03 -1.76 -2.13 -0.73 0.00 0.00 179.01 174.30 2jmg n ARG 43 N -4.47 0.52 0.00 1.92 3.00 0.11 -4.31 116.66 113.43 2jmg n ARG 43 Ca -0.03 -0.15 0.07 0.00 -0.00 0.00 0.00 57.85 57.74 2jmg n ARG 43 Cb 0.11 -1.39 0.29 0.00 0.00 0.00 0.00 32.46 31.47 2jmg n ARG 43 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2jmg n PHE 44 N -2.09 0.02 -0.28 -0.14 7.35 0.22 -4.83 117.46 117.71 2jmg n PHE 44 Ca -0.04 0.01 0.00 0.00 -0.76 0.00 0.00 57.45 56.66 2jmg n PHE 44 Cb 0.45 -0.51 0.00 0.00 0.35 0.00 0.00 39.48 39.76 2jmg n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2jmg n ALA 45 N -1.51 0.00 -3.14 3.13 0.00 -1.10 -5.03 120.51 112.86 2jmg n ALA 45 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.11 2jmg n ALA 45 Cb 0.16 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.48 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 -2.62 4.14 0.05 0.00 1.01 -0.88 -5.06 120.40 117.04 2jmg s VAL 46 Ca 0.00 -0.24 -0.36 0.00 0.00 0.00 0.00 61.98 61.38 2jmg s VAL 46 Cb 0.00 -2.94 -0.15 0.00 0.00 0.00 0.00 36.38 33.29 2jmg s VAL 46 CO 0.00 0.34 1.51 0.59 0.00 0.00 0.00 175.10 177.54 2jmg n ASN 47 N 4.90 2.32 0.00 3.32 3.02 -1.26 -3.90 115.26 123.67 2jmg n ASN 47 Ca -0.16 1.09 0.07 0.00 -0.03 0.00 0.00 54.58 55.54 2jmg n ASN 47 Cb 0.51 -1.27 0.31 0.00 -0.61 0.00 0.00 39.78 38.72 2jmg n ASN 47 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 2jmg n PRO 48 N 3.51 0.01 0.00 3.52 -0.04 -1.26 -2.87 135.00 137.87 2jmg n PRO 48 Ca 0.19 0.25 0.06 0.00 -0.04 0.00 0.00 63.50 63.96 2jmg n PRO 48 Cb 0.22 -1.50 0.35 0.00 -0.04 0.00 0.00 33.50 32.53 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 -0.58 0.54 0.55 0.00 -1.26 -2.43 105.19 101.97 2jmg n GLY 49 Ca 0.04 -0.07 0.12 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.82 1.63 0.02 0.99 4.77 -1.14 -3.62 117.00 118.83 2jmg n LEU 50 Ca 0.09 -0.64 0.11 0.00 -0.03 0.00 0.00 56.01 55.54 2jmg n LEU 50 Cb 0.04 -0.08 0.04 0.00 -2.33 0.00 0.00 43.42 41.09 2jmg n LEU 50 CO 0.07 0.32 0.05 0.18 -1.33 0.00 0.00 177.39 176.68 2jmg n LEU 51 N 0.29 0.64 -2.76 2.23 4.77 -1.02 -2.13 117.00 119.02 2jmg n LEU 51 Ca 0.17 -0.07 -0.38 0.00 -0.03 0.00 0.00 56.01 55.70 2jmg n LEU 51 Cb 0.34 -0.11 0.05 0.00 -2.33 0.00 0.00 43.42 41.37 2jmg n LEU 51 CO 0.14 0.08 1.43 -1.84 -1.33 0.00 0.00 177.39 175.86 2jmg n GLU 52 N -1.85 2.79 -3.35 3.23 0.00 -1.24 -4.86 120.64 115.37 2jmg n GLU 52 Ca 0.03 -3.54 0.02 0.00 0.00 0.00 0.00 57.16 53.67 2jmg n GLU 52 Cb 0.41 -2.27 -0.05 0.00 0.00 0.00 0.00 31.44 29.53 2jmg n GLU 52 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.13 177.05 2jmg s THR 53 N -5.05 -0.17 0.46 3.84 -1.32 -1.26 -4.97 115.64 107.17 2jmg s THR 53 Ca 0.54 0.00 0.22 0.00 -1.21 0.00 0.00 61.69 61.24 2jmg s THR 53 Cb 0.45 -1.00 0.41 0.00 -1.51 0.00 0.00 72.50 70.85 2jmg s THR 53 CO -0.31 0.00 1.88 0.77 -2.21 0.00 0.00 174.62 174.75 2jmg h SER 54 N 6.81 0.26 1.29 8.08 4.64 -1.89 0.38 113.55 133.12 2jmg h SER 54 Ca -0.17 0.03 -0.11 0.00 -0.47 0.00 0.00 61.79 61.07 2jmg h SER 54 Cb 1.13 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 63.18 2jmg h SER 54 CO 0.10 0.11 -0.74 -0.33 -0.87 0.00 0.00 176.83 175.10 2jmg h GLU 55 N 0.26 0.00 0.00 4.77 5.08 -1.95 -3.29 114.58 119.45 2jmg h GLU 55 Ca 0.43 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.68 2jmg h GLU 55 Cb 1.26 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 2jmg h GLU 55 CO -0.11 0.39 -0.49 0.78 -1.00 0.00 0.00 179.01 178.57 2jmg h GLY 56 N 3.61 0.00 0.39 -3.84 0.00 -0.47 -3.12 103.07 99.65 2jmg h GLY 56 Ca -0.05 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.27 2jmg h GLY 56 CO 0.05 0.00 -0.19 0.00 0.00 0.00 0.00 176.54 176.40 2jmg h ARG 58 N -0.95 0.28 -0.77 0.00 3.08 -1.68 0.38 114.38 114.73 2jmg h ARG 58 Ca -0.05 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 2jmg h ARG 58 Cb 0.40 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.35 2jmg h ARG 58 CO 0.09 0.19 0.45 0.37 -1.07 0.00 0.00 179.97 179.99 2jmg h GLN 59 N 0.29 1.04 -0.08 0.04 5.75 -1.56 -1.93 115.11 118.66 2jmg h GLN 59 Ca 0.57 -0.10 -0.02 0.00 -0.15 0.00 0.00 58.65 58.95 2jmg h GLN 59 Cb 1.66 -0.22 -0.00 0.00 1.07 0.00 0.00 27.48 29.99 2jmg h GLN 59 CO -0.22 0.74 -0.04 0.82 -2.65 0.00 0.00 178.83 177.48 2jmg h ILE 60 N 1.06 1.33 -0.15 2.39 2.04 -0.18 -2.98 117.51 121.02 2jmg h ILE 60 Ca 0.27 -1.07 0.04 0.00 1.00 0.00 0.00 64.86 65.11 2jmg h ILE 60 Cb -0.02 1.86 -0.01 0.00 -0.74 0.00 0.00 36.82 37.92 2jmg h ILE 60 CO -0.05 0.30 0.12 -0.07 0.00 0.00 0.00 178.15 178.45 2jmg h LEU 61 N -0.20 0.00 -1.03 1.44 3.38 -1.24 -1.05 115.31 116.60 2jmg h LEU 61 Ca 0.02 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 2jmg h LEU 61 Cb 0.49 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 2jmg h LEU 61 CO 0.01 0.00 -0.28 1.23 0.09 0.00 0.00 178.44 179.49 2jmg h GLY 62 N 0.00 0.37 1.29 0.83 0.00 -1.20 0.44 103.07 104.80 2jmg h GLY 62 Ca 0.07 -0.30 -0.15 0.00 0.00 0.00 0.00 47.33 46.95 2jmg h GLY 62 CO -0.00 0.28 -0.39 1.46 0.00 0.00 0.00 176.54 177.89 2jmg h GLN 63 N 0.30 0.78 0.00 4.80 1.08 -1.16 -3.06 115.11 117.85 2jmg h GLN 63 Ca 0.04 -0.41 0.00 0.00 -1.45 0.00 0.00 58.65 56.84 2jmg h GLN 63 Cb 0.66 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.10 2jmg h GLN 63 CO 0.05 1.03 -0.73 -0.07 -0.95 0.00 0.00 178.83 178.17 2jmg h LEU 64 N 0.64 0.00 -0.14 1.46 3.38 -1.41 -3.38 115.31 115.86 2jmg h LEU 64 Ca 0.05 -0.09 0.03 0.00 0.09 0.00 0.00 57.88 57.96 2jmg h LEU 64 Cb 0.95 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.63 2jmg h LEU 64 CO 0.09 0.05 -0.52 -0.61 0.09 0.00 0.00 178.44 177.53 2jmg h GLN 65 N 0.00 -0.55 0.00 1.13 4.15 -0.01 0.37 115.11 120.20 2jmg h GLN 65 Ca 0.00 0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.46 2jmg h GLN 65 Cb 0.88 0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.70 2jmg h GLN 65 CO 0.00 -0.36 0.00 -0.35 -1.93 0.00 0.00 178.83 176.19 2jmg n PRO 66 N -5.44 0.25 -0.00 -2.39 -0.04 -1.25 -1.92 135.00 124.21 2jmg n PRO 66 Ca -0.06 0.13 0.08 0.00 -0.04 0.00 0.00 63.50 63.61 2jmg n PRO 66 Cb 0.38 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.23 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 -1.24 0.83 0.15 3.54 2.88 0.65 -4.38 113.62 116.05 2jmg n SER 67 Ca 0.08 -0.77 0.18 0.00 -1.33 0.00 0.00 58.87 57.02 2jmg n SER 67 Cb 0.11 1.12 0.78 0.00 -0.75 0.00 0.00 64.21 65.47 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 -0.74 2.46 3.38 0.26 0.31 115.31 120.98 2jmg h LEU 68 Ca 0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 2jmg h LEU 68 Cb 0.47 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 2jmg h LEU 68 CO 0.00 0.00 0.48 -0.61 0.09 0.00 0.00 178.44 178.40 2jmg h GLN 69 N 0.00 0.94 -1.01 1.13 4.15 -1.77 -3.30 115.11 115.25 2jmg h GLN 69 Ca 0.13 -0.06 -0.36 0.00 0.77 0.00 0.00 58.65 59.13 2jmg h GLN 69 Cb 0.68 -0.21 -0.40 0.00 0.21 0.00 0.00 27.48 27.76 2jmg h GLN 69 CO -0.00 0.62 -1.19 2.41 -1.93 0.00 0.00 178.83 178.74 2jmg n THR 70 N -4.59 1.02 -3.49 2.39 -1.04 -0.37 -5.10 114.28 103.10 2jmg n THR 70 Ca 0.07 -3.09 -0.37 0.00 -2.04 0.00 0.00 64.05 58.62 2jmg n THR 70 Cb 0.04 0.63 -0.06 0.00 -1.82 0.00 0.00 70.33 69.12 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 -3.13 2.45 0.98 3.41 0.00 0.95 -5.04 107.32 106.94 2jmg s GLY 71 Ca 0.27 -0.23 -0.12 0.00 0.00 0.00 0.00 44.72 44.64 2jmg s GLY 71 CO 0.03 0.08 1.08 -1.35 0.00 0.00 0.00 173.10 172.95 2jmg s SER 72 N -1.34 2.68 0.48 1.64 1.04 -1.26 -4.68 113.70 112.25 2jmg s SER 72 Ca 0.28 1.50 0.23 0.00 0.48 0.00 0.00 55.95 58.44 2jmg s SER 72 Cb -0.16 -2.18 1.26 0.00 0.10 0.00 0.00 66.02 65.04 2jmg s SER 72 CO 0.16 -3.14 1.92 -0.33 0.98 0.00 0.00 173.24 172.82 2jmg h GLU 73 N -1.90 0.20 -0.11 4.02 3.07 -2.00 -0.75 114.58 117.11 2jmg h GLU 73 Ca -0.53 -0.01 -0.03 0.00 -0.50 0.00 0.00 59.36 58.29 2jmg h GLU 73 Cb 1.30 -0.04 -0.00 0.00 -0.84 0.00 0.00 28.75 29.17 2jmg h GLU 73 CO 0.53 0.13 -0.04 0.93 -1.40 0.00 0.00 179.01 179.16 2jmg h GLU 74 N 0.20 0.23 -0.15 2.33 3.07 -2.01 -2.76 114.58 115.50 2jmg h GLU 74 Ca 0.38 -0.09 0.01 0.00 -0.50 0.00 0.00 59.36 59.16 2jmg h GLU 74 Cb 1.19 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 29.07 2jmg h GLU 74 CO -0.08 0.55 0.06 1.25 -1.40 0.00 0.00 179.01 179.39 2jmg h LEU 75 N -0.11 0.07 -0.24 1.33 6.46 -1.50 -2.50 115.31 118.83 2jmg h LEU 75 Ca 0.03 0.01 0.06 0.00 -0.12 0.00 0.00 57.88 57.86 2jmg h LEU 75 Cb 0.48 0.00 -0.07 0.00 -0.73 0.00 0.00 40.66 40.34 2jmg h LEU 75 CO 0.01 0.06 -0.25 -0.09 -0.62 0.00 0.00 178.44 177.56 2jmg h ARG 76 N 0.13 -0.25 -0.34 1.25 2.43 -1.36 -1.62 114.38 114.61 2jmg h ARG 76 Ca 0.06 0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.32 2jmg h ARG 76 Cb 0.03 0.06 -0.08 0.00 -0.42 0.00 0.00 29.97 29.56 2jmg h ARG 76 CO -0.06 -0.17 -0.19 0.66 -1.51 0.00 0.00 179.97 178.71 2jmg h SER 77 N -0.26 -0.63 -0.21 -3.80 4.64 -1.29 -1.83 113.55 110.17 2jmg h SER 77 Ca 0.13 0.14 0.06 0.00 -0.47 0.00 0.00 61.79 61.65 2jmg h SER 77 Cb 0.47 0.33 -0.07 0.00 -0.31 0.00 0.00 62.40 62.82 2jmg h SER 77 CO -0.39 -0.22 -0.27 -0.07 -0.87 0.00 0.00 176.83 175.01 2jmg h LEU 78 N -0.14 -0.84 -0.49 5.97 -0.00 -0.94 0.17 115.31 119.04 2jmg h LEU 78 Ca 0.17 0.14 0.10 0.00 -0.00 0.00 0.00 57.88 58.29 2jmg h LEU 78 Cb 0.40 0.38 -0.10 0.00 -0.00 0.00 0.00 40.66 41.35 2jmg h LEU 78 CO -0.43 -0.30 -0.15 0.22 -0.00 0.00 0.00 178.44 177.78 2jmg h TYR 79 N -0.29 -0.35 0.00 1.13 3.20 -0.63 0.52 116.97 120.55 2jmg h TYR 79 Ca 0.12 0.05 -0.00 0.00 3.14 0.00 0.00 58.73 62.04 2jmg h TYR 79 Cb 0.49 0.23 -0.00 0.00 1.54 0.00 0.00 36.73 38.99 2jmg h TYR 79 CO -0.40 -0.24 -0.02 -0.91 -1.64 0.00 0.00 178.16 174.95 2jmg h ASN 80 N -0.04 0.00 0.00 -2.11 -0.26 -0.58 -2.42 115.58 110.17 2jmg h ASN 80 Ca 0.23 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.97 2jmg h ASN 80 Cb 0.40 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.66 2jmg h ASN 80 CO -0.52 0.02 -0.03 0.74 -1.06 0.00 0.00 177.43 176.57 2jmg h THR 81 N 0.00 0.00 -1.05 2.81 2.02 0.28 -3.27 112.91 113.70 2jmg h THR 81 Ca -0.00 -0.31 0.27 0.00 0.77 0.00 0.00 66.41 67.14 2jmg h THR 81 Cb 0.40 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.71 2jmg h THR 81 CO 0.00 0.00 0.67 0.40 0.37 0.00 0.00 175.52 176.96 2jmg h ILE 82 N -0.31 0.50 -0.72 3.11 2.04 -0.50 0.42 117.51 122.05 2jmg h ILE 82 Ca 0.00 -0.14 0.03 0.00 1.00 0.00 0.00 64.86 65.75 2jmg h ILE 82 Cb 0.03 0.06 -0.04 0.00 -0.74 0.00 0.00 36.82 36.13 2jmg h ILE 82 CO 0.00 0.07 0.47 0.00 0.00 0.00 0.00 178.15 178.70 2jmg h ALA 83 N 1.64 1.58 0.00 1.87 0.00 -1.59 0.14 119.26 122.90 2jmg h ALA 83 Ca 0.62 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 55.35 2jmg h ALA 83 Cb 1.53 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 2jmg h ALA 83 CO -0.34 0.35 -0.68 0.28 0.00 0.00 0.00 179.25 178.87 2jmg h VAL 84 N 0.88 1.48 0.06 0.00 2.07 -0.22 -3.25 116.25 117.27 2jmg h VAL 84 Ca 0.28 -2.35 -0.21 0.00 0.82 0.00 0.00 66.70 65.24 2jmg h VAL 84 Cb 0.04 2.27 0.02 0.00 -1.52 0.00 0.00 31.29 32.10 2jmg h VAL 84 CO -0.08 0.67 -0.85 0.25 0.02 0.00 0.00 177.57 177.58 2jmg h LEU 85 N 0.00 0.64 -0.85 2.57 5.85 -0.81 -3.15 115.31 119.56 2jmg h LEU 85 Ca -0.01 -0.82 0.20 0.00 0.84 0.00 0.00 57.88 58.09 2jmg h LEU 85 Cb 1.22 -0.20 -0.12 0.00 0.37 0.00 0.00 40.66 41.93 2jmg h LEU 85 CO 0.09 1.39 0.34 0.22 -0.34 0.00 0.00 178.44 180.14 2jmg h TYR 86 N -0.03 0.57 -0.15 1.25 3.20 -0.80 0.30 116.97 121.31 2jmg h TYR 86 Ca -0.12 0.04 -0.12 0.00 3.14 0.00 0.00 58.73 61.67 2jmg h TYR 86 Cb 1.57 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 39.71 2jmg h TYR 86 CO 0.15 -0.03 -0.42 0.00 -1.64 0.00 0.00 178.16 176.22 2jmg h VAL 88 N 0.29 1.10 0.00 0.00 2.07 -0.38 0.16 116.25 119.49 2jmg h VAL 88 Ca 0.02 -0.35 -0.25 0.00 0.82 0.00 0.00 66.70 66.94 2jmg h VAL 88 Cb 0.86 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 31.53 2jmg h VAL 88 CO 0.07 0.12 -1.67 1.41 0.02 0.00 0.00 177.57 177.52 2jmg n HIS 89 N -4.42 0.90 1.50 1.57 -0.00 -0.81 -3.91 115.22 110.04 2jmg n HIS 89 Ca -0.00 0.32 0.08 0.00 -0.00 0.00 0.00 57.72 58.11 2jmg n HIS 89 Cb 0.15 -1.13 0.33 0.00 -0.00 0.00 0.00 29.99 29.35 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 -2.95 1.43 -3.12 -0.41 6.02 -0.54 -4.88 117.38 112.92 2jmg n GLN 90 Ca -0.15 -0.66 -0.14 0.00 -0.01 0.00 0.00 57.00 56.04 2jmg n GLN 90 Cb 0.98 -1.29 0.07 0.00 1.02 0.00 0.00 30.24 31.02 2jmg n GLN 90 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 2jmg n ARG 91 N -0.08 -4.81 -4.95 -1.09 0.63 -0.70 -5.02 116.66 100.64 2jmg n ARG 91 Ca 0.12 0.69 -0.32 0.00 -0.92 0.00 0.00 57.85 57.43 2jmg n ARG 91 Cb 0.20 -5.21 -0.17 0.00 0.45 0.00 0.00 32.46 27.74 2jmg n ARG 91 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2jmg s ILE 92 N -3.30 2.00 -0.45 5.15 1.01 0.48 -5.04 121.20 121.04 2jmg s ILE 92 Ca 0.06 -0.97 -0.21 0.00 0.00 0.00 0.00 60.65 59.53 2jmg s ILE 92 Cb -0.01 -1.75 0.03 0.00 0.01 0.00 0.00 42.46 40.74 2jmg s ILE 92 CO 0.60 0.54 0.69 -0.62 0.00 0.00 0.00 174.94 176.14 2jmg s ASP 93 N 0.56 6.33 -0.12 3.58 2.15 -1.26 -4.40 116.67 123.51 2jmg s ASP 93 Ca -0.14 -0.35 -0.06 0.00 0.43 0.00 0.00 52.55 52.43 2jmg s ASP 93 Cb -0.17 -2.34 -0.04 0.00 -0.30 0.00 0.00 42.92 40.08 2jmg s ASP 93 CO 0.04 -0.84 0.11 0.68 -0.17 0.00 0.00 175.17 174.99 2jmg s VAL 94 N 2.96 5.28 -0.24 1.11 -7.23 -1.26 -4.99 120.40 116.02 2jmg s VAL 94 Ca 0.24 0.12 0.21 0.00 -1.81 0.00 0.00 61.98 60.74 2jmg s VAL 94 Cb -0.14 -3.29 0.23 0.00 0.56 0.00 0.00 36.38 33.73 2jmg s VAL 94 CO 0.19 0.61 1.59 0.11 -0.31 0.00 0.00 175.10 177.29 2jmg h LYS 95 N 5.08 0.00 -2.19 4.82 6.56 -1.93 -3.42 116.57 125.48 2jmg h LYS 95 Ca -0.54 0.00 0.29 0.00 -1.06 0.00 0.00 60.65 59.34 2jmg h LYS 95 Cb 1.22 0.00 -0.06 0.00 -0.57 0.00 0.00 32.23 32.82 2jmg h LYS 95 CO 0.58 0.21 0.80 0.16 -2.06 0.00 0.00 179.45 179.14 2jmg s ASP 96 N -6.27 -0.00 0.15 0.86 1.47 -1.26 -3.98 116.67 107.64 2jmg s ASP 96 Ca 0.05 -0.34 -0.24 0.00 1.18 0.00 0.00 52.55 53.20 2jmg s ASP 96 Cb 0.07 0.25 0.02 0.00 -0.34 0.00 0.00 42.92 42.92 2jmg s ASP 96 CO 0.69 -0.50 1.61 0.74 0.68 0.00 0.00 175.17 178.39 2jmg h THR 97 N 2.00 0.30 -0.02 2.11 2.02 -1.52 -2.18 112.91 115.61 2jmg h THR 97 Ca -0.24 0.00 0.03 0.00 0.77 0.00 0.00 66.41 66.96 2jmg h THR 97 Cb 1.20 0.30 -0.04 0.00 -1.74 0.00 0.00 68.15 67.87 2jmg h THR 97 CO 0.32 0.00 -0.16 0.50 0.37 0.00 0.00 175.52 176.55 2jmg h LYS 98 N -0.31 -0.25 -0.97 6.66 1.63 -1.90 -1.94 116.57 119.50 2jmg h LYS 98 Ca 0.13 0.02 0.31 0.00 -0.85 0.00 0.00 60.65 60.25 2jmg h LYS 98 Cb 0.52 0.06 -0.15 0.00 -0.60 0.00 0.00 32.23 32.05 2jmg h LYS 98 CO -0.42 -0.16 0.45 1.49 -3.45 0.00 0.00 179.45 177.36 2jmg h GLU 99 N -0.25 0.24 -0.14 1.90 4.22 -1.80 0.28 114.58 119.02 2jmg h GLU 99 Ca 0.06 -0.01 0.01 0.00 0.08 0.00 0.00 59.36 59.50 2jmg h GLU 99 Cb 0.34 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2jmg h GLU 99 CO -0.17 0.16 0.06 0.00 -2.18 0.00 0.00 179.01 176.88 2jmg h ALA 100 N 1.85 0.16 0.67 2.92 0.00 -0.78 0.29 119.26 124.37 2jmg h ALA 100 Ca 0.69 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.58 2jmg h ALA 100 Cb 1.56 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 2jmg h ALA 100 CO -0.65 -0.38 -0.47 -0.07 0.00 0.00 0.00 179.25 177.68 2jmg h LEU 101 N 0.14 -1.22 -1.48 0.00 -0.00 -0.34 0.25 115.31 112.66 2jmg h LEU 101 Ca 0.06 0.08 0.00 0.00 -0.00 0.00 0.00 57.88 58.02 2jmg h LEU 101 Cb 0.02 0.37 0.00 0.00 -0.00 0.00 0.00 40.66 41.05 2jmg h LEU 101 CO -0.05 -0.69 0.00 0.47 -0.00 0.00 0.00 178.44 178.17 2jmg n ASP 102 N -5.37 0.58 -0.07 -0.43 8.00 -0.79 -1.88 116.55 116.59 2jmg n ASP 102 Ca -0.13 0.77 -0.10 0.00 0.71 0.00 0.00 54.79 56.04 2jmg n ASP 102 Cb 0.46 -0.84 -0.06 0.00 -0.02 0.00 0.00 41.12 40.66 2jmg n ASP 102 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 2jmg h LYS 103 N 0.00 0.00 -0.12 -1.24 1.79 0.25 -2.18 116.57 115.07 2jmg h LYS 103 Ca 0.00 0.00 0.03 0.00 -2.18 0.00 0.00 60.65 58.50 2jmg h LYS 103 Cb 0.00 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.65 2jmg h LYS 103 CO 0.00 0.47 0.10 0.82 -1.08 0.00 0.00 179.45 179.77 2jmg h ILE 104 N -1.00 0.69 0.13 1.86 2.04 -0.16 -1.52 117.51 119.55 2jmg h ILE 104 Ca -0.08 0.00 -0.33 0.00 1.00 0.00 0.00 64.86 65.45 2jmg h ILE 104 Cb 0.67 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 37.67 2jmg h ILE 104 CO -0.05 0.00 -1.69 -0.08 0.00 0.00 0.00 178.15 176.33 2jmg h GLU 105 N 0.00 0.28 0.00 2.37 4.57 -1.51 -3.33 114.58 116.96 2jmg h GLU 105 Ca 0.05 -0.48 -0.03 0.00 -1.18 0.00 0.00 59.36 57.73 2jmg h GLU 105 Cb 0.26 0.18 -0.00 0.00 -0.16 0.00 0.00 28.75 29.02 2jmg h GLU 105 CO -0.00 1.15 -0.15 1.49 -1.18 0.00 0.00 179.01 180.32 2jmg h GLU 106 N 0.08 0.00 -0.19 1.92 4.81 -0.65 -2.23 114.58 118.31 2jmg h GLU 106 Ca -0.31 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 58.78 2jmg h GLU 106 Cb 2.05 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.42 2jmg h GLU 106 CO 0.15 0.15 -0.49 1.49 -0.73 0.00 0.00 179.01 179.57 2jmg h GLU 107 N 0.00 0.50 0.00 1.92 4.81 -1.42 -2.99 114.58 117.41 2jmg h GLU 107 Ca -0.00 -0.29 -0.11 0.00 -0.13 0.00 0.00 59.36 58.82 2jmg h GLU 107 Cb 0.33 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 2jmg h GLU 107 CO 0.02 0.88 -0.54 1.96 -0.73 0.00 0.00 179.01 180.60 2jmg h GLN 108 N 0.40 0.00 -0.76 1.92 1.08 -1.52 -3.07 115.11 113.16 2jmg h GLN 108 Ca 0.02 0.00 0.14 0.00 -1.45 0.00 0.00 58.65 57.36 2jmg h GLN 108 Cb 1.01 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.39 2jmg h GLN 108 CO 0.09 0.54 0.50 -0.97 -0.95 0.00 0.00 178.83 178.05 2jmg h ASN 109 N 0.00 0.42 0.10 1.46 -1.24 -1.34 0.17 115.58 115.15 2jmg h ASN 109 Ca -0.01 0.02 -0.06 0.00 0.71 0.00 0.00 56.30 56.97 2jmg h ASN 109 Cb 1.03 -0.06 -0.01 0.00 0.73 0.00 0.00 38.32 40.00 2jmg h ASN 109 CO 0.07 0.22 -0.20 0.50 -1.29 0.00 0.00 177.43 176.74 2jmg h LYS 110 N 0.45 0.19 0.00 6.67 3.64 -1.64 -2.58 116.57 123.31 2jmg h LYS 110 Ca 0.37 -0.05 -0.19 0.00 -1.27 0.00 0.00 60.65 59.51 2jmg h LYS 110 Cb 0.79 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.56 2jmg h LYS 110 CO -0.12 0.39 -1.00 0.77 -2.27 0.00 0.00 179.45 177.21 2jmg h SER 111 N 0.18 0.00 -0.44 4.20 0.02 -0.88 -3.28 113.55 113.35 2jmg h SER 111 Ca 0.03 0.00 0.12 0.00 -0.84 0.00 0.00 61.79 61.10 2jmg h SER 111 Cb 0.46 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.98 2jmg h SER 111 CO 0.03 0.81 0.31 0.50 -1.14 0.00 0.00 176.83 177.34 2jmg h LYS 112 N 0.00 0.02 -1.00 3.45 3.64 -0.77 0.16 116.57 122.07 2jmg h LYS 112 Ca -0.07 -0.00 -0.45 0.00 -1.27 0.00 0.00 60.65 58.87 2jmg h LYS 112 Cb 1.67 -0.01 -0.26 0.00 -0.41 0.00 0.00 32.23 33.22 2jmg h LYS 112 CO 0.09 0.02 0.57 1.17 -2.27 0.00 0.00 179.45 179.03 2jmg n LYS 113 N -4.41 2.07 -1.29 1.90 4.81 -1.22 -3.93 118.16 116.09 2jmg n LYS 113 Ca 0.07 -2.57 -0.01 0.00 -0.87 0.00 0.00 58.31 54.93 2jmg n LYS 113 Cb 0.50 -2.01 0.01 0.00 0.02 0.00 0.00 35.03 33.55 2jmg n LYS 113 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 2jmg n LYS 114 N -0.90 0.23 0.00 1.64 4.81 0.42 -5.00 118.16 119.36 2jmg n LYS 114 Ca 0.51 -0.35 0.00 0.00 -0.87 0.00 0.00 58.31 57.60 2jmg n LYS 114 Cb 1.49 0.31 0.00 0.00 0.02 0.00 0.00 35.03 36.85 2jmg n LYS 114 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2jmg n ALA 115 N -0.26 0.83 -0.11 3.14 0.00 -0.44 -4.91 120.51 118.77 2jmg n ALA 115 Ca -0.07 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.47 2jmg n ALA 115 Cb 0.51 0.00 0.46 0.00 0.00 0.00 0.00 19.45 20.42 2jmg n ALA 115 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2jmg h GLN 116 N 0.00 0.49 -0.15 0.00 1.08 -1.76 0.78 115.11 115.55 2jmg h GLN 116 Ca 0.00 -0.03 0.04 0.00 -1.45 0.00 0.00 58.65 57.21 2jmg h GLN 116 Cb 0.00 -0.11 -0.05 0.00 -0.05 0.00 0.00 27.48 27.27 2jmg h GLN 116 CO 0.00 0.32 -0.14 0.37 -0.95 0.00 0.00 178.83 178.43 2jmg h GLN 117 N 0.50 -0.16 0.01 1.46 4.15 -1.91 -1.13 115.11 118.04 2jmg h GLN 117 Ca 0.29 0.01 -0.26 0.00 0.77 0.00 0.00 58.65 59.45 2jmg h GLN 117 Cb 0.46 0.04 0.02 0.00 0.21 0.00 0.00 27.48 28.21 2jmg h GLN 117 CO -0.09 -0.11 -1.05 0.00 -1.93 0.00 0.00 178.83 175.66 2jmg h ALA 118 N 0.92 0.15 -0.40 3.38 0.00 -1.77 -3.18 119.26 118.35 2jmg h ALA 118 Ca 0.10 -0.71 0.12 0.00 0.00 0.00 0.00 54.91 54.42 2jmg h ALA 118 Cb 0.31 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 2jmg h ALA 118 CO -0.25 0.71 0.36 0.00 0.00 0.00 0.00 179.25 180.07 2jmg h ALA 119 N 0.45 2.19 -1.98 0.00 0.00 -0.59 -3.38 119.26 115.95 2jmg h ALA 119 Ca -0.13 -0.01 -0.45 0.00 0.00 0.00 0.00 54.91 54.32 2jmg h ALA 119 Cb 1.70 0.03 0.05 0.00 0.00 0.00 0.00 17.79 19.57 2jmg h ALA 119 CO 0.20 -0.57 0.02 0.00 0.00 0.00 0.00 179.25 178.90 2jmg s ALA 120 N -4.77 3.70 0.00 0.00 0.00 -0.45 -4.62 121.76 115.62 2jmg s ALA 120 Ca -0.05 -1.18 0.00 0.00 0.00 0.00 0.00 51.96 50.73 2jmg s ALA 120 Cb 0.17 -2.22 0.00 0.00 0.00 0.00 0.00 23.12 21.07 2jmg s ALA 120 CO 0.62 -0.82 0.00 -0.25 0.00 0.00 0.00 175.76 175.30 2jmg n ASP 121 N -2.44 0.00 -0.58 0.00 9.92 -1.26 -4.93 116.55 117.25 2jmg n ASP 121 Ca 0.07 0.00 0.01 0.00 -0.53 0.00 0.00 54.79 54.34 2jmg n ASP 121 Cb 0.59 0.00 -0.00 0.00 -0.64 0.00 0.00 41.12 41.07 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 0.00 0.00 -1.79 -3.53 -2.24 -1.26 -4.90 114.28 100.57 2jmg n THR 122 Ca 0.00 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.77 2jmg n THR 122 Cb 0.00 -0.02 -0.00 0.00 -2.10 0.00 0.00 70.33 68.20 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 -0.22 -0.37 3.44 3.38 0.00 -1.26 -5.16 105.19 105.01 2jmg n GLY 123 Ca 0.00 -0.01 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.17 -0.54 -0.99 1.61 2.47 -1.26 -5.08 114.94 110.97 2jmg s ASN 124 Ca 0.00 0.06 -0.24 0.00 0.42 0.00 0.00 52.86 53.11 2jmg s ASN 124 Cb 0.02 0.55 -0.04 0.00 -1.45 0.00 0.00 41.25 40.33 2jmg s ASN 124 CO -0.00 -0.87 1.87 0.21 -3.72 0.00 0.00 177.10 174.58 2jmg s ASN 125 N -2.56 5.36 -0.01 -4.21 2.47 -1.26 -4.60 114.94 110.13 2jmg s ASN 125 Ca 0.01 -1.05 -0.07 0.00 0.42 0.00 0.00 52.86 52.17 2jmg s ASN 125 Cb -0.01 -2.57 -0.02 0.00 -1.45 0.00 0.00 41.25 37.20 2jmg s ASN 125 CO -0.10 -2.60 -0.13 -0.24 -3.72 0.00 0.00 177.10 170.31 2jmg n SER 126 N 13.20 1.33 -4.78 -4.21 2.88 -1.26 -5.05 113.62 115.73 2jmg n SER 126 Ca 0.41 0.20 -0.32 0.00 -1.33 0.00 0.00 58.87 57.83 2jmg n SER 126 Cb 0.47 -0.48 0.07 0.00 -0.75 0.00 0.00 64.21 63.52 2jmg n SER 126 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jmg s GLN 127 N -2.26 2.61 -0.14 -1.46 1.03 -1.26 -5.07 119.66 113.11 2jmg s GLN 127 Ca -0.11 1.19 -0.10 0.00 0.04 0.00 0.00 55.36 56.38 2jmg s GLN 127 Cb 0.01 -1.94 0.04 0.00 0.03 0.00 0.00 33.01 31.16 2jmg s GLN 127 CO 0.16 -1.37 0.35 0.54 -2.54 0.00 0.00 175.29 172.43 2jmg s VAL 128 N -2.75 -0.02 -0.22 3.63 0.11 -1.26 -5.15 120.40 114.74 2jmg s VAL 128 Ca 0.62 0.06 -0.09 0.00 -2.93 0.00 0.00 61.98 59.65 2jmg s VAL 128 Cb -0.17 -0.51 0.09 0.00 -1.53 0.00 0.00 36.38 34.26 2jmg s VAL 128 CO 0.51 0.02 0.49 -0.44 -3.33 0.00 0.00 175.10 172.35 2jmg s SER 129 N 0.81 -0.54 0.00 3.54 0.01 -1.26 -5.07 113.70 111.19 2jmg s SER 129 Ca -0.05 1.14 0.00 0.00 1.31 0.00 0.00 55.95 58.35 2jmg s SER 129 Cb -0.06 1.46 0.00 0.00 0.21 0.00 0.00 66.02 67.63 2jmg s SER 129 CO -0.06 -0.22 0.00 0.00 0.41 0.00 0.00 173.24 173.37 2jmg n GLN 130 N 5.14 0.00 -3.70 12.44 6.02 -1.26 -5.14 117.38 130.88 2jmg n GLN 130 Ca -0.13 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.74 2jmg n GLN 130 Cb 0.51 0.00 -0.10 0.00 1.02 0.00 0.00 30.24 31.67 2jmg n GLN 130 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 2jmg s ASN 131 N -3.74 -0.52 0.00 1.08 3.84 -1.26 -5.40 114.94 108.94 2jmg s ASN 131 Ca 0.00 0.97 0.00 0.00 0.21 0.00 0.00 52.86 54.04 2jmg s ASN 131 Cb 0.00 0.95 0.00 0.00 -0.55 0.00 0.00 41.25 41.65 2jmg s ASN 131 CO 0.00 -0.17 0.11 -1.22 -2.79 0.00 0.00 177.10 173.03