#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hme n SER 22 N 0.00 2.66 -4.53 4.31 2.88 -1.26 -5.17 113.62 112.52 3hme n SER 22 Ca 0.00 -2.81 -0.26 0.00 -1.33 0.00 0.00 58.87 54.48 3hme n SER 22 Cb 0.00 -0.06 -0.10 0.00 -0.75 0.00 0.00 64.21 63.30 3hme n SER 22 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 3hme s THR 23 N -2.62 2.24 0.17 2.46 -4.23 -1.26 -5.06 115.64 107.33 3hme s THR 23 Ca 0.31 -2.22 -0.14 0.00 -1.18 0.00 0.00 61.69 58.46 3hme s THR 23 Cb -0.02 -2.60 0.06 0.00 1.34 0.00 0.00 72.50 71.27 3hme s THR 23 CO 0.20 -0.23 1.81 -0.65 -0.54 0.00 0.00 174.62 175.21 3hme h PRO 24 N 2.06 0.73 -0.45 3.99 0.11 -2.02 -1.94 132.00 134.48 3hme h PRO 24 Ca -0.42 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3hme h PRO 24 Cb 1.25 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 3hme h PRO 24 CO 0.69 0.53 0.30 0.97 -0.21 0.00 0.00 178.00 180.28 3hme h ILE 25 N 0.72 1.12 -0.71 4.15 6.09 -1.99 -0.94 117.51 125.95 3hme h ILE 25 Ca 0.19 -0.22 0.05 0.00 -1.37 0.00 0.00 64.86 63.51 3hme h ILE 25 Cb -0.01 0.46 -0.04 0.00 0.47 0.00 0.00 36.82 37.69 3hme h ILE 25 CO -0.04 0.11 0.47 1.56 -3.07 0.00 0.00 178.15 177.19 3hme h GLN 26 N 0.61 0.77 -0.56 2.19 4.20 -1.87 -1.69 115.11 118.76 3hme h GLN 26 Ca 0.16 -0.05 -0.11 0.00 0.06 0.00 0.00 58.65 58.72 3hme h GLN 26 Cb -0.07 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.52 3hme h GLN 26 CO -0.04 0.51 -0.09 1.96 -0.67 0.00 0.00 178.83 180.50 3hme h GLN 27 N 0.79 1.05 -0.35 1.46 1.08 -0.55 -0.95 115.11 117.64 3hme h GLN 27 Ca 0.30 -0.38 -0.10 0.00 -1.45 0.00 0.00 58.65 57.02 3hme h GLN 27 Cb 0.17 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.53 3hme h GLN 27 CO -0.09 1.08 -0.16 1.25 -0.95 0.00 0.00 178.83 179.96 3hme h LEU 28 N 0.93 0.75 -1.04 1.46 5.85 -0.56 -1.94 115.31 120.76 3hme h LEU 28 Ca 0.15 -0.40 -0.08 0.00 0.84 0.00 0.00 57.88 58.39 3hme h LEU 28 Cb 0.67 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 3hme h LEU 28 CO 0.05 0.98 -0.13 -0.07 -0.34 0.00 0.00 178.44 178.93 3hme h LEU 29 N 0.51 0.52 -0.81 2.25 3.38 -1.19 -2.29 115.31 117.68 3hme h LEU 29 Ca 0.08 -0.14 -0.11 0.00 0.09 0.00 0.00 57.88 57.81 3hme h LEU 29 Cb 0.69 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 3hme h LEU 29 CO 0.05 0.68 -0.24 -0.33 0.09 0.00 0.00 178.44 178.69 3hme h GLU 30 N 0.49 0.63 0.58 1.13 5.08 -1.07 0.29 114.58 121.71 3hme h GLU 30 Ca 0.09 -0.25 -0.03 0.00 -1.00 0.00 0.00 59.36 58.18 3hme h GLU 30 Cb 0.51 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.74 3hme h GLU 30 CO 0.03 0.81 -0.28 1.25 -1.00 0.00 0.00 179.01 179.83 3hme h HIS 31 N 0.55 -0.72 -0.37 4.33 2.76 -1.03 0.02 115.15 120.69 3hme h HIS 31 Ca 0.08 -0.02 0.07 0.00 -2.20 0.00 0.00 60.37 58.31 3hme h HIS 31 Cb 0.70 0.24 -0.07 0.00 1.55 0.00 0.00 27.41 29.83 3hme h HIS 31 CO 0.03 -0.40 -0.10 0.74 -1.30 0.00 0.00 177.93 176.90 3hme h PHE 32 N -0.91 -0.21 -0.40 5.26 0.04 -1.30 0.76 116.94 120.18 3hme h PHE 32 Ca -0.08 0.03 0.05 0.00 2.80 0.00 0.00 57.97 60.77 3hme h PHE 32 Cb 0.64 0.15 -0.04 0.00 2.20 0.00 0.00 35.95 38.90 3hme h PHE 32 CO -0.01 -0.16 0.14 1.25 -0.60 0.00 0.00 178.31 178.93 3hme h LEU 33 N -0.00 0.15 -0.86 1.54 5.85 -0.34 -0.52 115.31 121.13 3hme h LEU 33 Ca 0.18 0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.97 3hme h LEU 33 Cb 0.28 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.29 3hme h LEU 33 CO -0.39 0.12 0.55 0.03 -0.34 0.00 0.00 178.44 178.42 3hme h ARG 34 N 0.30 1.05 -0.45 1.25 3.08 -0.10 0.47 114.38 119.99 3hme h ARG 34 Ca 0.19 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 60.11 3hme h ARG 34 Cb 0.17 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 3hme h ARG 34 CO -0.19 0.70 0.05 1.96 -1.07 0.00 0.00 179.97 181.42 3hme h GLN 35 N 1.08 0.76 -0.61 0.04 1.08 -0.41 -2.61 115.11 114.45 3hme h GLN 35 Ca 0.34 -0.22 -0.03 0.00 -1.45 0.00 0.00 58.65 57.29 3hme h GLN 35 Cb -0.01 -0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.31 3hme h GLN 35 CO -0.11 0.79 0.26 -0.07 -0.95 0.00 0.00 178.83 178.76 3hme h LEU 36 N 0.62 0.82 -1.55 1.46 3.38 -0.22 -3.12 115.31 116.70 3hme h LEU 36 Ca 0.13 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 3hme h LEU 36 Cb 0.42 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 3hme h LEU 36 CO 0.01 0.75 -0.17 1.56 0.09 0.00 0.00 178.44 180.68 3hme h GLN 37 N 0.84 0.00 0.00 1.13 4.20 0.08 -1.73 115.11 119.63 3hme h GLN 37 Ca 0.20 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.91 3hme h GLN 37 Cb 0.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.95 3hme h GLN 37 CO -0.02 0.17 0.00 0.00 -0.67 0.00 0.00 178.83 178.31 3hme h ARG 38 N 0.00 0.00 0.00 1.46 3.08 -1.40 -1.87 114.38 115.65 3hme h ARG 38 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3hme h ARG 38 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.58 3hme h ARG 38 CO 0.02 0.00 0.00 1.63 -1.07 0.00 0.00 179.97 180.55 3hme n LYS 39 N -2.65 0.22 -3.17 0.04 5.02 -0.65 -4.19 118.16 112.79 3hme n LYS 39 Ca 0.03 0.23 -0.28 0.00 -2.02 0.00 0.00 58.31 56.27 3hme n LYS 39 Cb 0.36 -1.78 -0.06 0.00 -0.02 0.00 0.00 35.03 33.54 3hme n LYS 39 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3hme n ASP 40 N -2.17 4.27 0.22 4.39 2.03 -0.70 -4.96 116.55 119.63 3hme n ASP 40 Ca 0.05 -3.57 0.15 0.00 0.52 0.00 0.00 54.79 51.95 3hme n ASP 40 Cb 0.38 -0.65 0.66 0.00 -0.72 0.00 0.00 41.12 40.79 3hme n ASP 40 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3hme h PRO 41 N 3.65 0.00 -0.10 -0.67 0.13 -1.73 -2.02 132.00 131.26 3hme h PRO 41 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 3hme h PRO 41 Cb 0.58 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.71 3hme h PRO 41 CO 0.85 0.00 0.00 0.72 -0.23 0.00 0.00 178.00 179.34 3hme n HIS 42 N -2.69 0.11 -2.37 1.56 8.25 -1.26 -4.95 115.22 113.88 3hme n HIS 42 Ca 0.01 -0.06 -0.18 0.00 -0.26 0.00 0.00 57.72 57.23 3hme n HIS 42 Cb 0.23 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.33 3hme n HIS 42 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hme n GLY 43 N 1.19 -0.35 0.36 -1.41 0.00 -0.76 -4.90 105.19 99.32 3hme n GLY 43 Ca 0.18 -0.14 0.14 0.00 0.00 0.00 0.00 46.02 46.20 3hme n GLY 43 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3hme h PHE 44 N -0.08 0.97 -0.34 1.61 0.04 -1.93 -2.55 116.94 114.66 3hme h PHE 44 Ca -0.42 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.38 3hme h PHE 44 Cb 1.31 -0.29 0.00 0.00 2.20 0.00 0.00 35.95 39.16 3hme h PHE 44 CO 0.46 0.22 0.00 1.19 -0.60 0.00 0.00 178.31 179.58 3hme n PHE 45 N -4.72 0.79 0.12 -0.55 3.72 -1.26 -4.65 117.46 110.91 3hme n PHE 45 Ca 0.23 -0.68 -0.01 0.00 -0.05 0.00 0.00 57.45 56.94 3hme n PHE 45 Cb 0.61 -0.18 0.08 0.00 -0.94 0.00 0.00 39.48 39.04 3hme n PHE 45 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3hme h ALA 46 N 2.15 0.71 -2.43 4.37 0.00 -1.82 0.24 119.26 122.47 3hme h ALA 46 Ca 0.00 -0.61 -0.22 0.00 0.00 0.00 0.00 54.91 54.08 3hme h ALA 46 Cb 1.13 -0.11 -0.15 0.00 0.00 0.00 0.00 17.79 18.66 3hme h ALA 46 CO 0.13 0.84 -0.64 -0.06 0.00 0.00 0.00 179.25 179.51 3hme s PHE 47 N -3.17 1.03 0.60 0.00 0.08 -1.26 -1.72 117.98 113.54 3hme s PHE 47 Ca 0.01 -1.23 -0.18 0.00 0.12 0.00 0.00 56.93 55.65 3hme s PHE 47 Cb 0.10 -0.56 -0.05 0.00 -0.57 0.00 0.00 43.02 41.94 3hme s PHE 47 CO 0.76 -0.48 0.93 -2.30 -0.10 0.00 0.00 175.22 174.03 3hme n PRO 48 N -0.18 0.86 -3.35 0.24 -0.02 -1.26 -4.86 135.00 126.44 3hme n PRO 48 Ca -0.04 0.33 -0.38 0.00 -2.02 0.00 0.00 63.50 61.40 3hme n PRO 48 Cb 0.64 -2.13 -0.06 0.00 -0.02 0.00 0.00 33.50 31.93 3hme n PRO 48 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3hme s VAL 49 N -1.53 5.17 0.25 -1.45 1.01 -1.26 -5.08 120.40 117.50 3hme s VAL 49 Ca 0.75 0.92 -0.07 0.00 0.00 0.00 0.00 61.98 63.58 3hme s VAL 49 Cb -0.42 -3.80 -0.06 0.00 0.00 0.00 0.00 36.38 32.10 3hme s VAL 49 CO 0.48 0.36 0.54 0.42 0.00 0.00 0.00 175.10 176.90 3hme s THR 50 N 0.39 4.99 0.58 3.92 -4.23 -1.26 -4.91 115.64 115.12 3hme s THR 50 Ca 0.25 0.25 0.28 0.00 -1.18 0.00 0.00 61.69 61.29 3hme s THR 50 Cb -0.15 -3.67 0.34 0.00 1.34 0.00 0.00 72.50 70.36 3hme s THR 50 CO 0.10 -0.18 2.24 0.44 -0.54 0.00 0.00 174.62 176.68 3hme h ASP 51 N 2.16 0.00 0.15 3.99 3.32 -1.98 -2.28 116.42 121.78 3hme h ASP 51 Ca -0.47 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.52 3hme h ASP 51 Cb 1.18 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.72 3hme h ASP 51 CO 0.68 0.00 -0.22 0.00 -1.72 0.00 0.00 179.24 177.98 3hme h ALA 52 N 2.00 1.48 0.00 3.45 0.00 -1.99 -2.72 119.26 121.48 3hme h ALA 52 Ca -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3hme h ALA 52 Cb 0.01 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3hme h ALA 52 CO 0.00 0.37 -1.46 -0.89 0.00 0.00 0.00 179.25 177.27 3hme n ILE 53 N -4.22 0.05 -3.33 0.00 5.41 -1.04 -4.81 119.36 111.41 3hme n ILE 53 Ca -0.01 -0.29 -0.24 0.00 1.00 0.00 0.00 62.75 63.21 3hme n ILE 53 Cb 0.31 0.36 -0.09 0.00 -0.71 0.00 0.00 39.64 39.52 3hme n ILE 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3hme s ALA 54 N -3.28 0.80 0.34 -1.39 0.00 -0.89 -5.05 121.76 112.29 3hme s ALA 54 Ca -0.00 -2.03 -0.29 0.00 0.00 0.00 0.00 51.96 49.64 3hme s ALA 54 Cb 0.15 -1.75 -0.12 0.00 0.00 0.00 0.00 23.12 21.40 3hme s ALA 54 CO 0.87 -2.03 1.43 -2.30 0.00 0.00 0.00 175.76 173.73 3hme n PRO 55 N 3.14 2.45 -0.61 0.00 -0.02 -1.10 -1.67 135.00 137.19 3hme n PRO 55 Ca 0.25 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.59 3hme n PRO 55 Cb 0.47 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 3hme n PRO 55 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hme n GLY 56 N 0.95 1.63 0.15 -1.23 0.00 -1.26 -4.93 105.19 100.51 3hme n GLY 56 Ca 0.04 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.99 3hme n GLY 56 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3hme h TYR 57 N 0.00 -0.22 0.00 1.61 3.20 -1.65 -0.37 116.97 119.54 3hme h TYR 57 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 3hme h TYR 57 Cb 0.00 0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.41 3hme h TYR 57 CO 0.00 -0.15 0.00 0.66 -1.64 0.00 0.00 178.16 177.03 3hme h SER 58 N -0.04 0.00 0.52 -2.11 4.64 -1.84 0.44 113.55 115.16 3hme h SER 58 Ca 0.14 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.21 3hme h SER 58 Cb 0.25 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.30 3hme h SER 58 CO -0.31 0.00 -1.66 0.23 -0.87 0.00 0.00 176.83 174.22 3hme n MET 59 N -2.85 0.63 0.02 4.77 2.81 -0.27 -4.40 117.12 117.84 3hme n MET 59 Ca -0.02 0.25 -0.16 0.00 -1.81 0.00 0.00 57.70 55.96 3hme n MET 59 Cb 0.11 -1.78 -0.14 0.00 -0.71 0.00 0.00 33.22 30.70 3hme n MET 59 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 3hme h ILE 60 N 0.00 0.88 -3.53 2.02 2.04 -0.69 -3.42 117.51 114.81 3hme h ILE 60 Ca -0.26 -2.60 -0.69 0.00 1.00 0.00 0.00 64.86 62.31 3hme h ILE 60 Cb 1.88 2.58 -0.34 0.00 -0.74 0.00 0.00 36.82 40.20 3hme h ILE 60 CO 0.07 0.76 -0.57 -0.63 0.00 0.00 0.00 178.15 177.77 3hme s ILE 61 N -2.59 3.24 -0.62 -0.67 -1.09 0.15 -4.92 121.20 114.70 3hme s ILE 61 Ca -0.13 -1.95 0.24 0.00 -2.23 0.00 0.00 60.65 56.58 3hme s ILE 61 Cb 0.07 -3.17 -0.01 0.00 -1.58 0.00 0.00 42.46 37.77 3hme s ILE 61 CO 0.82 -0.60 1.21 0.29 -1.23 0.00 0.00 174.94 175.42 3hme n LYS 62 N 4.59 0.30 -3.47 2.79 5.02 -1.26 -4.35 118.16 121.78 3hme n LYS 62 Ca -0.04 0.05 -0.27 0.00 -2.02 0.00 0.00 58.31 56.04 3hme n LYS 62 Cb 0.42 -1.65 -0.09 0.00 -0.02 0.00 0.00 35.03 33.69 3hme n LYS 62 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3hme n HIS 63 N -2.07 2.95 -1.88 2.13 8.25 -1.26 -5.10 115.22 118.24 3hme n HIS 63 Ca 0.03 -4.08 -0.35 0.00 -0.26 0.00 0.00 57.72 53.06 3hme n HIS 63 Cb 0.44 -0.52 0.04 0.00 1.12 0.00 0.00 29.99 31.08 3hme n HIS 63 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 3hme s PRO 64 N -2.09 2.82 0.10 -0.41 0.04 -1.26 -4.88 135.00 129.33 3hme s PRO 64 Ca 0.37 1.69 -0.21 0.00 0.04 0.00 0.00 61.00 62.89 3hme s PRO 64 Cb 0.12 -1.93 0.05 0.00 0.04 0.00 0.00 34.50 32.79 3hme s PRO 64 CO -0.05 -1.29 0.53 1.41 0.04 0.00 0.00 177.00 177.63 3hme s MET 65 N -3.60 1.13 0.12 4.56 1.75 -1.26 -5.01 119.30 117.00 3hme s MET 65 Ca 0.74 -0.42 -0.25 0.00 -1.25 0.00 0.00 55.69 54.52 3hme s MET 65 Cb -0.27 0.52 0.07 0.00 2.84 0.00 0.00 34.83 37.99 3hme s MET 65 CO 0.36 -0.45 0.72 0.16 -0.65 0.00 0.00 175.02 175.16 3hme s ASP 66 N -2.43 -0.46 0.35 1.11 -4.77 -1.26 -4.70 116.67 104.51 3hme s ASP 66 Ca -0.01 -0.08 0.03 0.00 -3.30 0.00 0.00 52.55 49.19 3hme s ASP 66 Cb -0.00 0.54 0.64 0.00 -1.09 0.00 0.00 42.92 43.01 3hme s ASP 66 CO -0.08 -0.90 1.96 -0.26 0.70 0.00 0.00 175.17 176.59 3hme h PHE 67 N 2.00 0.69 -0.72 2.11 0.04 -1.09 -2.53 116.94 117.43 3hme h PHE 67 Ca -0.28 -0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.46 3hme h PHE 67 Cb 1.28 -0.22 -0.03 0.00 2.20 0.00 0.00 35.95 39.17 3hme h PHE 67 CO 0.27 0.51 0.40 0.78 -0.60 0.00 0.00 178.31 179.66 3hme h GLY 68 N 0.80 1.08 1.18 -1.45 0.00 -1.56 0.13 103.07 103.26 3hme h GLY 68 Ca 0.18 -0.49 -0.06 0.00 0.00 0.00 0.00 47.33 46.96 3hme h GLY 68 CO -0.02 0.47 0.19 -0.84 0.00 0.00 0.00 176.54 176.33 3hme h THR 69 N 0.99 1.25 -0.11 4.70 2.02 -1.73 -0.45 112.91 119.57 3hme h THR 69 Ca 0.25 -0.88 -0.16 0.00 0.77 0.00 0.00 66.41 66.39 3hme h THR 69 Cb 0.04 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 3hme h THR 69 CO -0.04 0.34 -0.61 0.24 0.37 0.00 0.00 175.52 175.81 3hme h MET 70 N 0.98 0.39 -0.18 6.66 2.07 -1.00 -1.75 114.93 122.10 3hme h MET 70 Ca 0.21 -0.27 0.01 0.00 -2.07 0.00 0.00 59.70 57.58 3hme h MET 70 Cb 0.31 0.04 -0.02 0.00 -1.87 0.00 0.00 31.60 30.06 3hme h MET 70 CO -0.00 0.89 0.08 -0.22 1.07 0.00 0.00 176.91 178.72 3hme h LYS 71 N 0.29 0.18 -0.39 1.72 1.63 -0.38 -1.08 116.57 118.53 3hme h LYS 71 Ca -0.01 -0.01 -0.06 0.00 -0.85 0.00 0.00 60.65 59.72 3hme h LYS 71 Cb 1.15 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 32.72 3hme h LYS 71 CO 0.10 0.12 -0.01 -0.44 -3.45 0.00 0.00 179.45 175.78 3hme h ASP 72 N 0.18 0.59 -0.29 4.20 3.32 -0.74 -0.25 116.42 123.44 3hme h ASP 72 Ca 0.08 -0.13 -0.10 0.00 0.02 0.00 0.00 57.03 56.90 3hme h ASP 72 Cb 0.02 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 3hme h ASP 72 CO -0.06 0.67 -0.15 0.11 -1.72 0.00 0.00 179.24 178.09 3hme h LYS 73 N 0.59 0.73 0.17 3.56 1.57 -1.09 -0.27 116.57 121.84 3hme h LYS 73 Ca 0.12 -0.25 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 3hme h LYS 73 Cb 0.38 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.64 3hme h LYS 73 CO 0.01 0.84 -0.08 0.82 -0.57 0.00 0.00 179.45 180.47 3hme h ILE 74 N 0.65 0.90 -0.67 1.86 2.04 -0.47 0.52 117.51 122.35 3hme h ILE 74 Ca 0.11 -0.32 0.14 0.00 1.00 0.00 0.00 64.86 65.78 3hme h ILE 74 Cb 0.62 1.10 -0.04 0.00 -0.74 0.00 0.00 36.82 37.76 3hme h ILE 74 CO 0.04 0.08 0.45 0.58 0.00 0.00 0.00 178.15 179.30 3hme h VAL 75 N -0.38 0.81 -0.18 1.67 2.07 -0.73 -0.55 116.25 118.96 3hme h VAL 75 Ca -0.02 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.39 3hme h VAL 75 Cb 0.30 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 3hme h VAL 75 CO 0.04 0.06 0.00 0.00 0.02 0.00 0.00 177.57 177.69 3hme n ALA 76 N -2.55 2.51 -3.94 1.67 0.00 -0.14 -4.93 120.51 113.13 3hme n ALA 76 Ca 0.12 -0.46 -0.30 0.00 0.00 0.00 0.00 53.44 52.80 3hme n ALA 76 Cb 0.51 -1.08 0.02 0.00 0.00 0.00 0.00 19.45 18.89 3hme n ALA 76 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3hme n ASN 77 N 0.18 -4.29 -0.15 0.00 2.85 -0.21 -4.91 115.26 108.73 3hme n ASN 77 Ca 0.14 -0.82 0.13 0.00 -0.11 0.00 0.00 54.58 53.92 3hme n ASN 77 Cb 0.27 -3.74 0.42 0.00 1.24 0.00 0.00 39.78 37.97 3hme n ASN 77 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 3hme n GLU 78 N -4.62 0.59 -3.60 1.20 1.02 0.14 -4.76 120.64 110.61 3hme n GLU 78 Ca 0.01 -0.30 -0.37 0.00 -0.02 0.00 0.00 57.16 56.48 3hme n GLU 78 Cb 0.54 -1.49 -0.10 0.00 -0.02 0.00 0.00 31.44 30.37 3hme n GLU 78 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 3hme s TYR 79 N -2.62 3.30 -0.31 -0.32 2.02 -1.26 -4.94 117.35 113.22 3hme s TYR 79 Ca 0.22 0.26 0.23 0.00 -0.37 0.00 0.00 57.07 57.41 3hme s TYR 79 Cb 0.19 -2.34 0.06 0.00 -0.40 0.00 0.00 41.96 39.48 3hme s TYR 79 CO 0.54 -0.00 1.10 1.57 -1.57 0.00 0.00 175.55 177.20 3hme h LYS 80 N 7.69 0.00 -3.50 -0.62 2.10 -1.99 -3.49 116.57 116.77 3hme h LYS 80 Ca -0.37 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.22 3hme h LYS 80 Cb 1.17 0.00 -0.13 0.00 -0.90 0.00 0.00 32.23 32.37 3hme h LYS 80 CO 0.64 0.00 -0.14 -1.54 -2.00 0.00 0.00 179.45 176.41 3hme s SER 81 N -5.17 -0.15 0.34 7.07 1.04 -1.26 -5.02 113.70 110.55 3hme s SER 81 Ca 0.01 -0.41 0.13 0.00 0.48 0.00 0.00 55.95 56.16 3hme s SER 81 Cb 0.10 0.45 0.59 0.00 0.10 0.00 0.00 66.02 67.26 3hme s SER 81 CO 0.78 -0.83 1.73 0.58 0.98 0.00 0.00 173.24 176.48 3hme h VAL 82 N 2.45 1.25 -0.37 5.02 2.07 -2.00 -2.73 116.25 121.95 3hme h VAL 82 Ca -0.34 -1.64 0.00 0.00 0.82 0.00 0.00 66.70 65.54 3hme h VAL 82 Cb 1.24 1.90 -0.02 0.00 -1.52 0.00 0.00 31.29 32.90 3hme h VAL 82 CO 0.49 0.46 0.24 0.74 0.02 0.00 0.00 177.57 179.51 3hme h THR 83 N 0.00 1.10 -0.09 2.57 2.02 -1.98 0.97 112.91 117.50 3hme h THR 83 Ca -0.00 -0.20 -0.13 0.00 0.77 0.00 0.00 66.41 66.84 3hme h THR 83 Cb 0.87 0.56 0.01 0.00 -1.74 0.00 0.00 68.15 67.85 3hme h THR 83 CO 0.06 0.10 -0.46 -0.33 0.37 0.00 0.00 175.52 175.26 3hme h GLU 84 N 0.50 0.48 -0.50 6.66 5.08 -1.90 -1.98 114.58 122.92 3hme h GLU 84 Ca 0.14 -0.39 0.07 0.00 -1.00 0.00 0.00 59.36 58.18 3hme h GLU 84 Cb -0.04 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.23 3hme h GLU 84 CO -0.03 1.02 0.17 0.35 -1.00 0.00 0.00 179.01 179.52 3hme h PHE 85 N 0.05 0.29 -0.25 4.33 3.57 -1.21 -2.44 116.94 121.28 3hme h PHE 85 Ca -0.03 0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.43 3hme h PHE 85 Cb 1.11 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.78 3hme h PHE 85 CO 0.12 0.08 -0.12 0.87 -2.23 0.00 0.00 178.31 177.03 3hme h LYS 86 N 0.34 0.42 -0.01 1.11 1.57 -0.76 -1.48 116.57 117.75 3hme h LYS 86 Ca 0.24 -0.11 -0.13 0.00 -1.87 0.00 0.00 60.65 58.78 3hme h LYS 86 Cb 0.28 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 3hme h LYS 86 CO -0.26 0.55 -0.62 0.00 -0.57 0.00 0.00 179.45 178.54 3hme h ALA 87 N 1.48 0.94 -0.26 3.86 0.00 -0.96 0.77 119.26 125.10 3hme h ALA 87 Ca 0.08 -0.57 -0.19 0.00 0.00 0.00 0.00 54.91 54.23 3hme h ALA 87 Cb 0.46 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3hme h ALA 87 CO 0.03 0.77 -0.58 -0.44 0.00 0.00 0.00 179.25 179.03 3hme h ASP 88 N 0.04 0.91 -0.44 0.00 5.19 -1.03 -1.74 116.42 119.35 3hme h ASP 88 Ca -0.01 -0.50 -0.06 0.00 -0.62 0.00 0.00 57.03 55.84 3hme h ASP 88 Cb 1.11 -0.26 -0.02 0.00 0.18 0.00 0.00 39.33 40.34 3hme h ASP 88 CO 0.08 1.29 0.04 0.15 -3.12 0.00 0.00 179.24 177.68 3hme h PHE 89 N 0.62 0.80 -0.56 4.55 3.57 -0.91 -2.13 116.94 122.88 3hme h PHE 89 Ca 0.01 -0.13 0.01 0.00 3.53 0.00 0.00 57.97 61.39 3hme h PHE 89 Cb 1.18 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 39.67 3hme h PHE 89 CO 0.07 0.78 0.36 -0.22 -2.23 0.00 0.00 178.31 177.07 3hme h LYS 90 N 0.60 0.70 -0.07 1.11 3.64 -0.81 -2.66 116.57 119.07 3hme h LYS 90 Ca 0.13 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.48 3hme h LYS 90 Cb 0.44 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 3hme h LYS 90 CO 0.02 0.46 -0.03 1.25 -2.27 0.00 0.00 179.45 178.88 3hme h LEU 91 N 0.72 -0.10 -0.38 5.20 5.85 -1.09 0.89 115.31 126.40 3hme h LEU 91 Ca 0.21 0.03 0.07 0.00 0.84 0.00 0.00 57.88 59.03 3hme h LEU 91 Cb -0.04 0.06 -0.07 0.00 0.37 0.00 0.00 40.66 40.98 3hme h LEU 91 CO -0.07 -0.04 -0.04 -0.03 -0.34 0.00 0.00 178.44 177.93 3hme h MET 92 N -0.02 0.06 -0.32 1.25 4.05 -1.29 0.15 114.93 118.80 3hme h MET 92 Ca 0.04 -0.00 -0.11 0.00 -0.28 0.00 0.00 59.70 59.35 3hme h MET 92 Cb 0.08 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 30.86 3hme h MET 92 CO -0.09 0.04 -0.22 0.00 0.23 0.00 0.00 176.91 176.87 3hme h ASP 94 N 0.48 0.62 -0.06 0.00 3.32 -0.38 -1.18 116.42 119.22 3hme h ASP 94 Ca 0.06 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 3hme h ASP 94 Cb 0.77 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 40.16 3hme h ASP 94 CO 0.06 0.48 0.00 0.78 -1.72 0.00 0.00 179.24 178.85 3hme h ASN 95 N 0.72 0.10 -0.79 6.45 2.35 -0.58 -0.46 115.58 123.37 3hme h ASN 95 Ca 0.19 -0.29 0.08 0.00 -0.55 0.00 0.00 56.30 55.73 3hme h ASN 95 Cb -0.02 -0.03 -0.05 0.00 0.05 0.00 0.00 38.32 38.27 3hme h ASN 95 CO -0.03 0.36 0.52 0.00 -1.65 0.00 0.00 177.43 176.62 3hme h ALA 96 N 0.74 1.71 0.00 -0.83 0.00 -0.92 -0.51 119.26 119.45 3hme h ALA 96 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3hme h ALA 96 Cb 0.31 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3hme h ALA 96 CO 0.00 0.15 -0.31 -1.33 0.00 0.00 0.00 179.25 177.76 3hme n MET 97 N -4.50 0.17 -0.06 0.00 2.81 -0.49 -2.05 117.12 113.00 3hme n MET 97 Ca 0.13 0.09 -0.20 0.00 -1.81 0.00 0.00 57.70 55.90 3hme n MET 97 Cb 0.28 -1.64 -0.13 0.00 -0.71 0.00 0.00 33.22 31.02 3hme n MET 97 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 3hme h THR 98 N 0.00 1.11 0.18 2.03 2.02 0.01 -3.41 112.91 114.84 3hme h THR 98 Ca 0.00 -2.28 -0.31 0.00 0.77 0.00 0.00 66.41 64.59 3hme h THR 98 Cb 0.65 2.60 0.03 0.00 -1.74 0.00 0.00 68.15 69.69 3hme h THR 98 CO 0.00 0.50 -1.31 0.22 0.37 0.00 0.00 175.52 175.30 3hme h TYR 99 N -0.76 0.97 -3.56 3.16 3.20 -1.23 -3.45 116.97 115.31 3hme h TYR 99 Ca -0.27 -0.66 -0.52 0.00 3.14 0.00 0.00 58.73 60.42 3hme h TYR 99 Cb 1.40 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 39.58 3hme h TYR 99 CO 0.14 1.50 0.14 -0.80 -1.64 0.00 0.00 178.16 177.50 3hme s ASN 100 N -7.46 7.17 0.59 -2.11 0.01 -0.87 -5.05 114.94 107.23 3hme s ASN 100 Ca -0.10 1.51 -0.16 0.00 -0.71 0.00 0.00 52.86 53.40 3hme s ASN 100 Cb 0.04 -2.45 -0.04 0.00 0.41 0.00 0.00 41.25 39.22 3hme s ASN 100 CO 0.93 0.09 1.06 -0.13 -1.51 0.00 0.00 177.10 177.54 3hme s ARG 101 N -1.69 3.34 0.62 -0.60 0.52 -1.26 -4.71 118.95 115.16 3hme s ARG 101 Ca 0.41 1.21 0.38 0.00 -0.52 0.00 0.00 55.73 57.20 3hme s ARG 101 Cb -0.19 -2.04 2.08 0.00 0.52 0.00 0.00 34.95 35.33 3hme s ARG 101 CO 0.23 -0.80 2.28 -1.35 0.02 0.00 0.00 175.30 175.68 3hme h PRO 102 N 0.48 0.00 -0.24 3.54 0.11 -1.96 -2.12 132.00 131.81 3hme h PRO 102 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3hme h PRO 102 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3hme h PRO 102 CO 0.57 0.01 0.00 -0.40 -0.21 0.00 0.00 178.00 177.98 3hme n ASP 103 N -3.37 2.11 -4.86 -2.05 5.75 -1.26 -4.61 116.55 108.26 3hme n ASP 103 Ca -0.03 -1.80 -0.31 0.00 -0.01 0.00 0.00 54.79 52.64 3hme n ASP 103 Cb 0.11 -0.15 -0.01 0.00 -1.03 0.00 0.00 41.12 40.03 3hme n ASP 103 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 3hme s THR 104 N -1.70 4.66 0.46 2.12 -4.23 -0.80 -4.96 115.64 111.20 3hme s THR 104 Ca 0.33 0.94 0.19 0.00 -1.18 0.00 0.00 61.69 61.97 3hme s THR 104 Cb 0.18 -3.80 0.23 0.00 1.34 0.00 0.00 72.50 70.45 3hme s THR 104 CO 0.27 -0.88 2.04 0.58 -0.54 0.00 0.00 174.62 176.09 3hme h VAL 105 N 0.35 0.94 0.02 2.29 2.07 -1.91 -2.91 116.25 117.09 3hme h VAL 105 Ca -0.46 -0.51 -0.21 0.00 0.82 0.00 0.00 66.70 66.35 3hme h VAL 105 Cb 1.19 1.29 0.02 0.00 -1.52 0.00 0.00 31.29 32.26 3hme h VAL 105 CO 0.62 0.14 -0.82 1.88 0.02 0.00 0.00 177.57 179.40 3hme h TYR 106 N 0.00 0.80 -0.03 1.57 0.05 -1.92 -1.10 116.97 116.34 3hme h TYR 106 Ca -0.00 -0.45 0.00 0.00 0.05 0.00 0.00 58.73 58.33 3hme h TYR 106 Cb 0.28 -0.09 -0.00 0.00 1.01 0.00 0.00 36.73 37.93 3hme h TYR 106 CO 0.00 1.28 0.01 -0.92 -1.05 0.00 0.00 178.16 177.48 3hme h TYR 107 N 0.09 0.02 -0.30 4.88 3.20 -1.76 -1.83 116.97 121.26 3hme h TYR 107 Ca -0.11 0.00 -0.14 0.00 3.14 0.00 0.00 58.73 61.63 3hme h TYR 107 Cb 1.52 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.78 3hme h TYR 107 CO 0.13 0.01 -0.37 0.87 -1.64 0.00 0.00 178.16 177.16 3hme h LYS 108 N 0.02 0.69 -0.46 1.82 1.57 -1.46 -0.90 116.57 117.85 3hme h LYS 108 Ca 0.01 -0.34 -0.11 0.00 -1.87 0.00 0.00 60.65 58.34 3hme h LYS 108 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 3hme h LYS 108 CO -0.01 0.95 -0.13 1.25 -0.57 0.00 0.00 179.45 180.93 3hme h LEU 109 N 0.57 0.92 -0.69 2.94 5.85 -1.15 -2.09 115.31 121.66 3hme h LEU 109 Ca 0.05 -0.37 -0.04 0.00 0.84 0.00 0.00 57.88 58.36 3hme h LEU 109 Cb 0.90 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 3hme h LEU 109 CO 0.08 1.08 0.28 0.00 -0.34 0.00 0.00 178.44 179.54 3hme h ALA 110 N 0.87 0.89 -0.09 1.25 0.00 -0.88 -0.67 119.26 120.64 3hme h ALA 110 Ca 0.11 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.87 3hme h ALA 110 Cb 0.69 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3hme h ALA 110 CO 0.05 0.51 -0.03 -0.22 0.00 0.00 0.00 179.25 179.56 3hme h LYS 111 N 0.98 -0.02 -0.46 0.00 3.64 -1.17 0.08 116.57 119.62 3hme h LYS 111 Ca 0.23 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.54 3hme h LYS 111 Cb 0.20 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 3hme h LYS 111 CO -0.02 -0.01 0.01 -0.22 -2.27 0.00 0.00 179.45 176.93 3hme h LYS 112 N -0.02 0.81 0.03 1.90 3.64 -1.02 -2.93 116.57 118.98 3hme h LYS 112 Ca 0.05 -0.25 -0.22 0.00 -1.27 0.00 0.00 60.65 58.96 3hme h LYS 112 Cb 0.09 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 3hme h LYS 112 CO -0.10 0.86 -0.98 -0.84 -2.27 0.00 0.00 179.45 176.12 3hme h ILE 113 N 0.66 1.55 -0.61 2.00 3.07 -1.11 -1.91 117.51 121.17 3hme h ILE 113 Ca 0.13 -2.91 0.12 0.00 1.55 0.00 0.00 64.86 63.75 3hme h ILE 113 Cb 0.49 2.66 -0.09 0.00 -0.27 0.00 0.00 36.82 39.61 3hme h ILE 113 CO 0.02 0.84 0.12 0.25 -1.05 0.00 0.00 178.15 178.33 3hme h LEU 114 N 0.07 -0.03 0.09 0.16 5.85 -0.92 0.31 115.31 120.85 3hme h LEU 114 Ca -0.05 0.12 -0.27 0.00 0.84 0.00 0.00 57.88 58.51 3hme h LEU 114 Cb 1.66 0.17 0.01 0.00 0.37 0.00 0.00 40.66 42.87 3hme h LEU 114 CO 0.15 -0.01 -1.22 0.45 -0.34 0.00 0.00 178.44 177.46 3hme h HIS 115 N 0.24 0.57 0.07 1.25 3.86 -1.47 -1.45 115.15 118.22 3hme h HIS 115 Ca 0.32 -0.40 -0.00 0.00 -1.16 0.00 0.00 60.37 59.13 3hme h HIS 115 Cb 0.50 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.94 3hme h HIS 115 CO -0.26 1.29 -0.03 0.00 0.86 0.00 0.00 177.93 179.79 3hme h ALA 116 N 0.56 -0.10 -0.61 2.45 0.00 -1.22 -2.61 119.26 117.73 3hme h ALA 116 Ca -0.14 -0.11 0.05 0.00 0.00 0.00 0.00 54.91 54.71 3hme h ALA 116 Cb 1.93 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 19.71 3hme h ALA 116 CO 0.21 -0.45 0.33 0.78 0.00 0.00 0.00 179.25 180.11 3hme h GLY 117 N -0.29 0.88 2.00 0.00 0.00 -0.36 -1.26 103.07 104.03 3hme h GLY 117 Ca -0.01 -0.23 -0.03 0.00 0.00 0.00 0.00 47.33 47.06 3hme h GLY 117 CO 0.02 0.14 -0.13 0.74 0.00 0.00 0.00 176.54 177.31 3hme h PHE 118 N 0.62 0.00 0.00 5.60 0.04 -1.26 -1.72 116.94 120.23 3hme h PHE 118 Ca 0.27 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.94 3hme h PHE 118 Cb 0.16 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.32 3hme h PHE 118 CO -0.09 0.13 -0.40 0.87 -0.60 0.00 0.00 178.31 178.22 3hme h LYS 119 N 0.00 0.26 -1.00 1.51 1.57 -0.97 -2.51 116.57 115.44 3hme h LYS 119 Ca -0.00 -0.29 0.19 0.00 -1.87 0.00 0.00 60.65 58.68 3hme h LYS 119 Cb 0.56 0.08 -0.11 0.00 0.08 0.00 0.00 32.23 32.84 3hme h LYS 119 CO 0.02 1.00 0.60 1.98 -0.57 0.00 0.00 179.45 182.48 3hme h MET 120 N -0.35 0.73 -0.62 3.15 4.05 -1.15 -2.23 114.93 118.51 3hme h MET 120 Ca -0.05 -0.04 -0.39 0.00 -0.28 0.00 0.00 59.70 58.94 3hme h MET 120 Cb 1.14 -0.17 -0.23 0.00 -0.80 0.00 0.00 31.60 31.54 3hme h MET 120 CO 0.08 0.48 0.01 -1.33 0.23 0.00 0.00 176.91 176.38 3hme n MET 121 N -4.78 2.41 -1.52 0.39 2.81 -0.66 -4.90 117.12 110.88 3hme n MET 121 Ca 0.23 -3.41 -0.34 0.00 -1.81 0.00 0.00 57.70 52.37 3hme n MET 121 Cb 0.57 -2.04 0.08 0.00 -0.71 0.00 0.00 33.22 31.13 3hme n MET 121 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 3hme s SER 122 N -2.52 4.39 0.29 7.83 1.04 -0.84 -4.80 113.70 119.09 3hme s SER 122 Ca 0.51 2.33 0.01 0.00 0.48 0.00 0.00 55.95 59.27 3hme s SER 122 Cb 0.44 -2.59 0.70 0.00 0.10 0.00 0.00 66.02 64.67 3hme s SER 122 CO 0.01 -2.13 1.60 0.07 0.98 0.00 0.00 173.24 173.77 3hme h LYS 123 N -0.14 0.07 -0.38 4.02 2.10 -1.91 -1.34 116.57 118.99 3hme h LYS 123 Ca -0.48 -0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.07 3hme h LYS 123 Cb 1.29 -0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 32.60 3hme h LYS 123 CO 0.51 0.05 -0.15 1.49 -2.00 0.00 0.00 179.45 179.34 3hme h GLU 124 N 0.07 0.78 0.00 0.07 4.81 -1.95 -1.85 114.58 116.51 3hme h GLU 124 Ca 0.56 -0.33 -0.05 0.00 -0.13 0.00 0.00 59.36 59.41 3hme h GLU 124 Cb 1.14 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.48 3hme h GLU 124 CO -0.81 0.94 -0.26 0.00 -0.73 0.00 0.00 179.01 178.16 3hme h ARG 125 N 0.58 0.00 0.00 1.92 3.08 -1.61 -2.08 114.38 116.26 3hme h ARG 125 Ca 0.09 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.02 3hme h ARG 125 Cb 0.69 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.73 3hme h ARG 125 CO 0.05 0.26 -0.69 -0.07 -1.07 0.00 0.00 179.97 178.45 3hme h LEU 126 N 0.00 0.00 -0.58 3.04 3.38 -1.11 -2.05 115.31 118.00 3hme h LEU 126 Ca -0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 3hme h LEU 126 Cb 0.77 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 3hme h LEU 126 CO 0.03 0.50 -0.01 -0.07 0.09 0.00 0.00 178.44 178.98 3hme h LEU 127 N 0.00 1.01 -0.46 1.67 3.38 -1.03 -1.38 115.31 118.49 3hme h LEU 127 Ca -0.03 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.60 3hme h LEU 127 Cb 1.41 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.87 3hme h LEU 127 CO 0.06 1.08 0.20 0.00 0.09 0.00 0.00 178.44 179.87 3hme h ALA 128 N 0.97 0.60 -0.72 1.53 0.00 -1.30 -1.18 119.26 119.15 3hme h ALA 128 Ca 0.16 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 3hme h ALA 128 Cb 0.57 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.15 3hme h ALA 128 CO 0.03 0.18 0.22 1.25 0.00 0.00 0.00 179.25 180.94 3hme h LEU 129 N 0.60 1.06 -1.05 0.00 5.85 -1.32 -1.89 115.31 118.56 3hme h LEU 129 Ca 0.16 -0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.66 3hme h LEU 129 Cb 0.16 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.87 3hme h LEU 129 CO -0.02 0.99 0.53 0.11 -0.34 0.00 0.00 178.44 179.71 3hme h LYS 130 N 1.07 1.18 0.39 1.25 1.57 -1.07 -0.57 116.57 120.39 3hme h LYS 130 Ca 0.23 -0.10 -0.01 0.00 -1.87 0.00 0.00 60.65 58.90 3hme h LYS 130 Cb 0.31 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 32.37 3hme h LYS 130 CO -0.01 0.82 -0.23 0.00 -0.57 0.00 0.00 179.45 179.47 3hme h ARG 131 N 1.20 -0.57 0.00 3.15 3.08 -0.81 -3.19 114.38 117.24 3hme h ARG 131 Ca 0.31 0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.39 3hme h ARG 131 Cb -0.06 0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.12 3hme h ARG 131 CO -0.06 -0.38 -0.08 0.66 -1.07 0.00 0.00 179.97 179.04 3hme h SER 132 N -0.59 0.00 0.00 7.04 4.64 -0.88 0.25 113.55 124.00 3hme h SER 132 Ca -0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3hme h SER 132 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 3hme h SER 132 CO 0.05 0.08 0.00 0.23 -0.87 0.00 0.00 176.83 176.32 3hme n MET 133 N -4.31 0.51 -0.67 4.77 2.81 -0.26 -5.11 117.12 114.87 3hme n MET 133 Ca -0.03 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.86 3hme n MET 133 Cb 0.16 -1.45 0.00 0.00 -0.71 0.00 0.00 33.22 31.22 3hme n MET 133 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91