#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2blg h ILE 2 N 0.00 1.38 -1.32 -0.08 2.10 -2.00 -3.40 117.51 114.19 2blg h ILE 2 Ca 0.00 -1.94 -0.37 0.00 1.08 0.00 0.00 64.86 63.63 2blg h ILE 2 Cb 0.00 1.97 -0.03 0.00 -1.09 0.00 0.00 36.82 37.66 2blg h ILE 2 CO 0.00 0.57 1.03 -0.69 -1.08 0.00 0.00 178.15 177.98 2blg s VAL 3 N -3.80 3.32 -0.44 2.19 1.01 -1.26 -4.78 120.40 116.64 2blg s VAL 3 Ca -0.04 -0.06 0.23 0.00 0.00 0.00 0.00 61.98 62.11 2blg s VAL 3 Cb 0.12 -3.79 0.24 0.00 0.00 0.00 0.00 36.38 32.95 2blg s VAL 3 CO 0.80 -0.75 1.69 0.35 0.00 0.00 0.00 175.10 177.18 2blg n THR 4 N 7.69 0.89 -4.17 3.92 -2.24 -1.26 -4.62 114.28 114.49 2blg n THR 4 Ca 0.32 0.33 -0.34 0.00 -2.27 0.00 0.00 64.05 62.09 2blg n THR 4 Cb 0.50 -1.28 -0.11 0.00 -2.10 0.00 0.00 70.33 67.34 2blg n THR 4 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 2blg s GLN 5 N -3.35 3.77 0.04 -0.78 0.74 -1.26 -5.08 119.66 113.73 2blg s GLN 5 Ca 0.03 -0.46 -0.05 0.00 0.05 0.00 0.00 55.36 54.93 2blg s GLN 5 Cb 0.09 -3.07 -0.01 0.00 1.10 0.00 0.00 33.01 31.11 2blg s GLN 5 CO 0.35 0.19 0.08 0.95 -0.55 0.00 0.00 175.29 176.30 2blg s THR 6 N 0.55 0.13 0.07 -0.34 -4.23 -1.26 -4.50 115.64 106.07 2blg s THR 6 Ca -0.00 -1.11 -0.21 0.00 -1.18 0.00 0.00 61.69 59.19 2blg s THR 6 Cb -0.14 -0.88 -0.07 0.00 1.34 0.00 0.00 72.50 72.76 2blg s THR 6 CO 0.02 -0.61 0.61 -0.32 -0.54 0.00 0.00 174.62 173.78 2blg s MET 7 N -2.58 4.29 0.02 3.99 1.75 -0.78 -4.90 119.30 121.09 2blg s MET 7 Ca -0.05 0.82 -0.16 0.00 -1.25 0.00 0.00 55.69 55.04 2blg s MET 7 Cb -0.01 -3.27 -0.06 0.00 2.84 0.00 0.00 34.83 34.33 2blg s MET 7 CO -0.05 0.57 0.46 0.15 -0.65 0.00 0.00 175.02 175.50 2blg s LYS 8 N -0.91 4.01 -0.87 4.11 1.02 -1.26 -4.43 119.74 121.40 2blg s LYS 8 Ca 0.31 0.51 -0.01 0.00 0.02 0.00 0.00 55.97 56.80 2blg s LYS 8 Cb -0.20 -3.23 0.00 0.00 -0.52 0.00 0.00 37.83 33.88 2blg s LYS 8 CO 0.20 0.67 0.74 0.41 -0.92 0.00 0.00 175.35 176.44 2blg n GLY 9 N 1.81 -0.13 3.72 -3.33 0.00 -1.26 -4.98 105.19 101.02 2blg n GLY 9 Ca -0.13 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 2blg n GLY 9 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2blg s LEU 10 N -5.17 4.41 -0.70 0.99 2.96 -1.26 -4.99 118.68 114.92 2blg s LEU 10 Ca 0.07 1.84 -0.04 0.00 -0.22 0.00 0.00 54.13 55.79 2blg s LEU 10 Cb -0.03 -3.58 0.18 0.00 0.50 0.00 0.00 46.19 43.26 2blg s LEU 10 CO 0.52 -0.27 0.53 -0.62 -1.32 0.00 0.00 176.35 175.19 2blg s ASP 11 N 0.67 5.49 0.65 3.68 -1.08 -1.26 -4.94 116.67 119.88 2blg s ASP 11 Ca 0.52 -3.02 0.23 0.00 -0.52 0.00 0.00 52.55 49.77 2blg s ASP 11 Cb -0.25 -1.89 1.20 0.00 -1.46 0.00 0.00 42.92 40.51 2blg s ASP 11 CO 0.30 -0.35 1.67 0.40 0.52 0.00 0.00 175.17 177.71 2blg h ILE 12 N 4.99 0.07 -0.30 4.11 1.08 -1.94 0.43 117.51 125.94 2blg h ILE 12 Ca 0.03 0.00 -0.10 0.00 -0.39 0.00 0.00 64.86 64.40 2blg h ILE 12 Cb 0.93 0.47 -0.01 0.00 -3.07 0.00 0.00 36.82 35.14 2blg h ILE 12 CO 0.74 0.00 -0.21 1.56 -0.69 0.00 0.00 178.15 179.54 2blg h GLN 13 N 0.00 0.68 0.00 2.37 1.08 -1.97 -3.21 115.11 114.06 2blg h GLN 13 Ca 0.07 -0.33 -0.02 0.00 -1.45 0.00 0.00 58.65 56.93 2blg h GLN 13 Cb 1.21 -0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.63 2blg h GLN 13 CO -0.00 0.93 -0.09 0.87 -0.95 0.00 0.00 178.83 179.59 2blg h LYS 14 N 0.44 0.00 -0.38 1.46 1.57 -1.34 -2.78 116.57 115.53 2blg h LYS 14 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2blg h LYS 14 Cb 0.76 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.07 2blg h LYS 14 CO 0.06 0.09 0.00 1.33 -0.57 0.00 0.00 179.45 180.36 2blg n VAL 15 N -3.53 0.43 -2.58 0.50 0.24 -1.21 -4.91 118.33 107.28 2blg n VAL 15 Ca -0.02 -0.33 -0.35 0.00 -2.04 0.00 0.00 64.34 61.60 2blg n VAL 15 Cb 0.23 0.01 -0.04 0.00 -1.47 0.00 0.00 33.84 32.56 2blg n VAL 15 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2blg s ALA 16 N -1.66 2.97 0.00 2.33 0.00 -1.05 -4.67 121.76 119.68 2blg s ALA 16 Ca 0.15 0.62 0.00 0.00 0.00 0.00 0.00 51.96 52.73 2blg s ALA 16 Cb 0.09 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.96 2blg s ALA 16 CO 0.09 -0.22 0.00 0.41 0.00 0.00 0.00 175.76 176.04 2blg n GLY 17 N -0.06 0.44 3.82 0.00 0.00 -0.88 -4.96 105.19 103.55 2blg n GLY 17 Ca 0.07 -2.25 -0.37 0.00 0.00 0.00 0.00 46.02 43.47 2blg n GLY 17 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2blg s THR 18 N -0.31 4.68 0.07 2.61 -4.23 -1.26 -1.52 115.64 115.67 2blg s THR 18 Ca 0.00 1.18 -0.01 0.00 -1.18 0.00 0.00 61.69 61.68 2blg s THR 18 Cb 0.00 -3.86 -0.04 0.00 1.34 0.00 0.00 72.50 69.94 2blg s THR 18 CO 0.00 0.36 -0.03 0.26 -0.54 0.00 0.00 174.62 174.67 2blg s TRP 19 N -1.34 0.61 -0.08 3.99 0.52 -1.05 -4.67 118.94 116.91 2blg s TRP 19 Ca 0.36 -1.07 0.03 0.00 0.02 0.00 0.00 56.10 55.45 2blg s TRP 19 Cb -0.18 -0.42 0.01 0.00 -1.15 0.00 0.00 33.47 31.73 2blg s TRP 19 CO 0.20 -0.36 -0.16 0.71 0.02 0.00 0.00 176.95 177.36 2blg s TYR 20 N -3.89 1.86 -0.86 -1.98 1.51 0.90 -4.33 117.35 110.56 2blg s TYR 20 Ca 0.09 -0.74 -0.25 0.00 -1.01 0.00 0.00 57.07 55.16 2blg s TYR 20 Cb 0.08 -1.31 0.02 0.00 -0.11 0.00 0.00 41.96 40.63 2blg s TYR 20 CO -0.08 -0.34 1.53 -1.12 -1.11 0.00 0.00 175.55 174.43 2blg s SER 21 N 0.60 6.01 0.08 2.29 0.01 -1.26 -1.47 113.70 119.96 2blg s SER 21 Ca -0.15 -0.78 -0.07 0.00 1.31 0.00 0.00 55.95 56.26 2blg s SER 21 Cb -0.16 -2.56 -0.24 0.00 0.21 0.00 0.00 66.02 63.27 2blg s SER 21 CO 0.05 -1.93 1.17 0.25 0.41 0.00 0.00 173.24 173.19 2blg h LEU 22 N 14.16 0.55 -7.62 2.44 5.85 -1.43 -3.45 115.31 125.81 2blg h LEU 22 Ca -0.03 -0.53 -0.14 0.00 0.84 0.00 0.00 57.88 58.02 2blg h LEU 22 Cb 1.04 -0.18 -0.21 0.00 0.37 0.00 0.00 40.66 41.69 2blg h LEU 22 CO 1.32 1.38 -0.40 0.00 -0.34 0.00 0.00 178.44 180.40 2blg s ALA 23 N -2.86 -0.54 0.09 1.25 0.00 -1.17 -1.03 121.76 117.50 2blg s ALA 23 Ca -0.06 0.15 0.03 0.00 0.00 0.00 0.00 51.96 52.09 2blg s ALA 23 Cb 0.07 0.03 -0.04 0.00 0.00 0.00 0.00 23.12 23.19 2blg s ALA 23 CO 0.89 -0.22 -0.09 -1.64 0.00 0.00 0.00 175.76 174.70 2blg s MET 24 N -1.17 0.82 -0.09 0.00 -1.94 0.03 -1.19 119.30 115.76 2blg s MET 24 Ca -0.12 -1.15 -0.20 0.00 -1.71 0.00 0.00 55.69 52.50 2blg s MET 24 Cb -0.06 -0.48 0.05 0.00 2.01 0.00 0.00 34.83 36.35 2blg s MET 24 CO 0.02 0.07 0.49 0.00 -0.01 0.00 0.00 175.02 175.59 2blg s ALA 25 N -2.52 -1.24 0.05 3.03 0.00 -0.70 -0.11 121.76 120.27 2blg s ALA 25 Ca 0.05 1.02 -0.06 0.00 0.00 0.00 0.00 51.96 52.97 2blg s ALA 25 Cb -0.02 -0.29 -0.01 0.00 0.00 0.00 0.00 23.12 22.80 2blg s ALA 25 CO -0.01 -0.28 0.12 0.00 0.00 0.00 0.00 175.76 175.59 2blg s ALA 26 N -0.69 -0.09 0.13 0.00 0.00 -0.72 -1.07 121.76 119.32 2blg s ALA 26 Ca -0.08 -0.58 0.15 0.00 0.00 0.00 0.00 51.96 51.46 2blg s ALA 26 Cb -0.03 0.29 0.40 0.00 0.00 0.00 0.00 23.12 23.78 2blg s ALA 26 CO 0.05 -0.36 1.60 0.66 0.00 0.00 0.00 175.76 177.71 2blg h SER 27 N 3.43 0.00 -4.02 0.00 4.64 -1.52 0.18 113.55 116.27 2blg h SER 27 Ca -0.33 0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 60.34 2blg h SER 27 Cb 1.18 0.00 -0.31 0.00 -0.31 0.00 0.00 62.40 62.96 2blg h SER 27 CO 0.52 0.52 -0.87 -0.62 -0.87 0.00 0.00 176.83 175.52 2blg s ASP 28 N -6.56 2.80 0.23 4.97 -1.08 -1.26 -3.69 116.67 112.07 2blg s ASP 28 Ca 0.01 -0.46 -0.08 0.00 -0.52 0.00 0.00 52.55 51.49 2blg s ASP 28 Cb 0.11 -0.74 0.23 0.00 -1.46 0.00 0.00 42.92 41.06 2blg s ASP 28 CO 0.73 0.22 1.88 0.40 0.52 0.00 0.00 175.17 178.93 2blg h ILE 29 N 5.08 1.17 0.00 4.11 2.04 -1.84 -2.42 117.51 125.63 2blg h ILE 29 Ca -0.33 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.16 2blg h ILE 29 Cb 1.17 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.24 2blg h ILE 29 CO 0.47 0.20 0.00 0.77 0.00 0.00 0.00 178.15 179.59 2blg h SER 30 N 1.09 0.00 0.20 1.72 4.64 -1.98 0.16 113.55 119.37 2blg h SER 30 Ca 0.32 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.45 2blg h SER 30 Cb -0.05 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.04 2blg h SER 30 CO -0.10 0.00 -0.75 -0.07 -0.87 0.00 0.00 176.83 175.04 2blg h LEU 31 N 0.00 0.56 -1.38 5.97 4.07 -1.83 -3.35 115.31 119.35 2blg h LEU 31 Ca 0.00 -0.37 0.00 0.00 0.08 0.00 0.00 57.88 57.59 2blg h LEU 31 Cb 0.04 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 41.61 2blg h LEU 31 CO 0.00 1.13 0.00 0.18 -1.08 0.00 0.00 178.44 178.67 2blg n LEU 32 N -3.85 1.30 0.00 1.67 4.77 -0.94 -2.65 117.00 117.31 2blg n LEU 32 Ca -0.05 -1.17 0.00 0.00 -0.03 0.00 0.00 56.01 54.77 2blg n LEU 32 Cb 0.72 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.81 2blg n LEU 32 CO 0.49 0.31 0.06 -0.67 -1.33 0.00 0.00 177.39 176.25 2blg n ASP 33 N 0.02 0.00 -4.24 -1.43 2.03 0.52 -4.76 116.55 108.69 2blg n ASP 33 Ca 0.01 0.13 -0.29 0.00 0.52 0.00 0.00 54.79 55.16 2blg n ASP 33 Cb 0.08 0.00 0.17 0.00 -0.72 0.00 0.00 41.12 40.65 2blg n ASP 33 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2blg s ALA 34 N -2.93 2.47 0.05 -1.67 0.00 -1.26 -4.94 121.76 113.47 2blg s ALA 34 Ca 0.00 -1.26 0.23 0.00 0.00 0.00 0.00 51.96 50.92 2blg s ALA 34 Cb 0.00 -2.67 0.76 0.00 0.00 0.00 0.00 23.12 21.22 2blg s ALA 34 CO 0.00 -2.27 1.76 1.96 0.00 0.00 0.00 175.76 177.21 2blg h GLN 35 N -1.46 0.00 -0.64 0.00 4.20 -1.97 -2.54 115.11 112.69 2blg h GLN 35 Ca -0.43 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.28 2blg h GLN 35 Cb 1.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.02 2blg h GLN 35 CO 0.39 0.24 0.00 -1.13 -0.67 0.00 0.00 178.83 177.66 2blg n SER 36 N -3.33 4.59 -4.77 1.46 3.41 -1.26 -4.43 113.62 109.29 2blg n SER 36 Ca 0.01 -2.55 -0.39 0.00 -0.26 0.00 0.00 58.87 55.68 2blg n SER 36 Cb 0.48 -0.59 0.00 0.00 -0.26 0.00 0.00 64.21 63.84 2blg n SER 36 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2blg s ALA 37 N -2.08 3.18 0.22 7.33 0.00 -0.96 -4.94 121.76 124.51 2blg s ALA 37 Ca 0.46 1.22 -0.12 0.00 0.00 0.00 0.00 51.96 53.52 2blg s ALA 37 Cb 0.32 -3.49 0.29 0.00 0.00 0.00 0.00 23.12 20.24 2blg s ALA 37 CO 0.19 -0.88 1.62 -1.00 0.00 0.00 0.00 175.76 175.69 2blg h PRO 38 N 2.47 0.02 -0.72 0.00 0.13 -1.82 -2.21 132.00 129.86 2blg h PRO 38 Ca -0.50 -0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.35 2blg h PRO 38 Cb 1.25 -0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.21 2blg h PRO 38 CO 0.62 0.01 0.31 1.28 -0.23 0.00 0.00 178.00 179.99 2blg n LEU 39 N -5.44 5.83 -4.44 1.56 4.77 -1.08 -4.78 117.00 113.42 2blg n LEU 39 Ca 0.09 -3.41 -0.44 0.00 -0.03 0.00 0.00 56.01 52.22 2blg n LEU 39 Cb 0.36 -0.74 -0.00 0.00 -2.33 0.00 0.00 43.42 40.71 2blg n LEU 39 CO 0.03 0.94 1.24 -0.60 -1.33 0.00 0.00 177.39 177.67 2blg s ARG 40 N -3.11 4.06 0.08 3.23 6.06 -0.83 -4.87 118.95 123.57 2blg s ARG 40 Ca 0.53 -2.62 0.08 0.00 -2.50 0.00 0.00 55.73 51.22 2blg s ARG 40 Cb 0.44 -4.96 -0.04 0.00 0.06 0.00 0.00 34.95 30.46 2blg s ARG 40 CO 0.10 -1.67 -0.15 0.14 -2.50 0.00 0.00 175.30 171.22 2blg s VAL 41 N 1.18 3.03 -0.20 7.11 -7.23 -1.26 -4.58 120.40 118.45 2blg s VAL 41 Ca 0.39 -1.30 0.00 0.00 -1.81 0.00 0.00 61.98 59.27 2blg s VAL 41 Cb -0.04 -2.36 0.02 0.00 0.56 0.00 0.00 36.38 34.56 2blg s VAL 41 CO -0.02 0.19 -0.16 -0.31 -0.31 0.00 0.00 175.10 174.49 2blg s TYR 42 N -1.09 2.89 0.18 2.82 2.02 -0.39 -4.93 117.35 118.84 2blg s TYR 42 Ca 0.18 -1.65 -0.30 0.00 -0.37 0.00 0.00 57.07 54.93 2blg s TYR 42 Cb -0.11 -1.96 -0.08 0.00 -0.40 0.00 0.00 41.96 39.42 2blg s TYR 42 CO 0.10 -0.78 1.23 0.08 -1.57 0.00 0.00 175.55 174.61 2blg s VAL 43 N 1.29 3.50 -0.14 0.71 1.01 -1.26 -0.38 120.40 125.13 2blg s VAL 43 Ca 0.03 1.23 -0.07 0.00 0.00 0.00 0.00 61.98 63.17 2blg s VAL 43 Cb -0.14 -3.79 -0.06 0.00 0.00 0.00 0.00 36.38 32.39 2blg s VAL 43 CO -0.10 0.18 -0.18 -0.62 0.00 0.00 0.00 175.10 174.38 2blg n GLU 44 N 2.70 0.30 -3.65 2.72 -0.58 0.90 -4.26 120.64 118.78 2blg n GLU 44 Ca 0.05 0.13 -0.15 0.00 -0.42 0.00 0.00 57.16 56.77 2blg n GLU 44 Cb 0.44 -1.01 -0.08 0.00 -0.57 0.00 0.00 31.44 30.23 2blg n GLU 44 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 2blg s GLU 45 N -2.26 0.81 -0.24 3.49 2.12 -1.01 -2.53 118.70 119.07 2blg s GLU 45 Ca -0.20 0.28 -0.05 0.00 0.36 0.00 0.00 54.97 55.37 2blg s GLU 45 Cb 0.08 0.38 -0.00 0.00 0.26 0.00 0.00 34.13 34.84 2blg s GLU 45 CO 0.25 -0.20 -0.00 -0.51 -0.54 0.00 0.00 175.26 174.25 2blg s LEU 46 N -0.76 3.19 -0.41 2.70 1.43 -0.57 -0.45 118.68 123.81 2blg s LEU 46 Ca -0.08 -0.47 -0.01 0.00 -1.03 0.00 0.00 54.13 52.54 2blg s LEU 46 Cb -0.03 -1.79 0.11 0.00 0.03 0.00 0.00 46.19 44.52 2blg s LEU 46 CO 0.05 -0.06 0.18 -0.54 0.23 0.00 0.00 176.35 176.20 2blg s LYS 47 N 1.49 1.88 0.16 1.70 1.02 0.97 -2.08 119.74 124.89 2blg s LYS 47 Ca 0.05 -1.91 -0.30 0.00 0.02 0.00 0.00 55.97 53.82 2blg s LYS 47 Cb -0.15 -3.48 -0.07 0.00 -0.52 0.00 0.00 37.83 33.61 2blg s LYS 47 CO -0.01 -1.04 0.97 -1.25 -0.92 0.00 0.00 175.35 173.09 2blg s PRO 48 N 0.94 4.74 0.30 -1.68 0.04 -1.26 0.69 135.00 138.77 2blg s PRO 48 Ca 0.10 1.49 -0.09 0.00 0.04 0.00 0.00 61.00 62.55 2blg s PRO 48 Cb -0.22 -3.33 -0.06 0.00 0.04 0.00 0.00 34.50 30.93 2blg s PRO 48 CO -0.05 0.31 0.61 0.95 0.04 0.00 0.00 177.00 178.86 2blg s THR 49 N -0.45 4.91 0.51 1.26 -4.23 -0.59 -4.92 115.64 112.14 2blg s THR 49 Ca 0.45 0.39 0.38 0.00 -1.18 0.00 0.00 61.69 61.73 2blg s THR 49 Cb -0.25 -3.68 0.40 0.00 1.34 0.00 0.00 72.50 70.31 2blg s THR 49 CO 0.31 -0.27 2.24 1.55 -0.54 0.00 0.00 174.62 177.91 2blg h PRO 50 N 1.92 0.00 -0.28 3.99 0.13 -1.97 -1.50 132.00 134.29 2blg h PRO 50 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2blg h PRO 50 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2blg h PRO 50 CO 0.67 0.02 0.00 0.39 -0.23 0.00 0.00 178.00 178.85 2blg n GLU 51 N -3.28 0.90 0.00 0.86 1.02 -1.26 -4.85 120.64 114.03 2blg n GLU 51 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 2blg n GLU 51 Cb 0.14 -1.14 0.00 0.00 -0.02 0.00 0.00 31.44 30.42 2blg n GLU 51 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2blg n GLY 52 N 0.29 2.56 3.14 0.62 0.00 -0.56 -4.94 105.19 106.30 2blg n GLY 52 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 2blg n GLY 52 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2blg n ASP 53 N 0.00 -1.02 -3.57 1.61 8.00 -1.25 -4.35 116.55 115.97 2blg n ASP 53 Ca 0.00 -1.23 -0.17 0.00 0.71 0.00 0.00 54.79 54.10 2blg n ASP 53 Cb 0.00 -0.87 -0.14 0.00 -0.02 0.00 0.00 41.12 40.10 2blg n ASP 53 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2blg s LEU 54 N 0.00 -0.11 0.03 0.64 2.96 0.88 -1.55 118.68 121.53 2blg s LEU 54 Ca 0.63 0.04 -0.24 0.00 -0.22 0.00 0.00 54.13 54.33 2blg s LEU 54 Cb -0.04 0.38 -0.05 0.00 0.50 0.00 0.00 46.19 46.98 2blg s LEU 54 CO 0.46 -0.29 0.74 -1.61 -1.32 0.00 0.00 176.35 174.32 2blg s GLU 55 N 2.32 4.46 -0.21 1.98 2.02 0.22 0.67 118.70 130.16 2blg s GLU 55 Ca 0.05 1.00 -0.01 0.00 0.02 0.00 0.00 54.97 56.03 2blg s GLU 55 Cb -0.14 -3.37 0.02 0.00 0.10 0.00 0.00 34.13 30.74 2blg s GLU 55 CO -0.10 0.28 -0.11 0.42 0.02 0.00 0.00 175.26 175.77 2blg s ILE 56 N -0.01 2.67 -0.26 -1.63 1.01 0.22 -0.02 121.20 123.19 2blg s ILE 56 Ca 0.37 -0.86 -0.15 0.00 0.00 0.00 0.00 60.65 60.01 2blg s ILE 56 Cb -0.20 -2.24 -0.04 0.00 0.01 0.00 0.00 42.46 40.00 2blg s ILE 56 CO 0.22 0.39 0.40 -0.76 0.00 0.00 0.00 174.94 175.19 2blg s LEU 57 N 1.35 4.05 0.21 2.97 2.01 0.40 -0.71 118.68 128.96 2blg s LEU 57 Ca 0.03 0.35 -0.00 0.00 0.01 0.00 0.00 54.13 54.51 2blg s LEU 57 Cb -0.15 -2.47 -0.04 0.00 0.01 0.00 0.00 46.19 43.54 2blg s LEU 57 CO -0.07 -0.20 0.15 -1.48 1.01 0.00 0.00 176.35 175.76 2blg s LEU 58 N 2.06 1.19 0.24 1.79 0.05 -0.26 -0.07 118.68 123.69 2blg s LEU 58 Ca 0.16 -1.42 0.11 0.00 0.05 0.00 0.00 54.13 53.04 2blg s LEU 58 Cb -0.16 0.41 -0.05 0.00 -2.05 0.00 0.00 46.19 44.35 2blg s LEU 58 CO 0.10 -0.86 -0.20 -1.10 -0.55 0.00 0.00 176.35 173.73 2blg s GLN 59 N -4.09 1.56 -0.28 1.48 -0.21 0.49 -0.19 119.66 118.43 2blg s GLN 59 Ca 0.39 -1.66 -0.23 0.00 0.02 0.00 0.00 55.36 53.88 2blg s GLN 59 Cb 0.06 -1.66 0.10 0.00 1.00 0.00 0.00 33.01 32.51 2blg s GLN 59 CO 0.13 0.32 0.87 0.21 -2.12 0.00 0.00 175.29 174.71 2blg s LYS 60 N -3.28 0.63 -0.69 2.91 2.20 -0.37 -1.26 119.74 119.87 2blg s LYS 60 Ca 0.26 0.83 -0.25 0.00 -0.36 0.00 0.00 55.97 56.45 2blg s LYS 60 Cb -0.05 0.26 0.05 0.00 -1.51 0.00 0.00 37.83 36.58 2blg s LYS 60 CO 0.12 -0.09 1.14 -0.46 -0.36 0.00 0.00 175.35 175.70 2blg s TRP 61 N 0.62 2.47 0.00 4.03 -0.11 -1.26 -1.16 118.94 123.53 2blg s TRP 61 Ca -0.01 -0.21 0.00 0.00 1.22 0.00 0.00 56.10 57.10 2blg s TRP 61 Cb -0.05 -4.46 0.00 0.00 -1.50 0.00 0.00 33.47 27.46 2blg s TRP 61 CO -0.07 -1.85 0.00 -1.91 -4.62 0.00 0.00 176.95 168.50 2blg n GLU 62 N 8.59 0.00 0.00 5.86 4.07 -1.16 -4.54 120.64 133.46 2blg n GLU 62 Ca 0.01 0.03 0.00 0.00 -0.06 0.00 0.00 57.16 57.13 2blg n GLU 62 Cb 0.48 -0.27 0.00 0.00 -0.06 0.00 0.00 31.44 31.58 2blg n GLU 62 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 2blg n ASN 63 N -1.27 0.00 -0.24 4.31 3.02 -1.26 -4.88 115.26 114.94 2blg n ASN 63 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2blg n ASN 63 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 2blg n ASN 63 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2blg n ASP 64 N -0.06 0.00 -4.40 6.41 -0.08 -1.26 -5.08 116.55 112.09 2blg n ASP 64 Ca 0.00 -1.37 -0.28 0.00 -1.51 0.00 0.00 54.79 51.63 2blg n ASP 64 Cb 0.00 -0.07 -0.12 0.00 2.34 0.00 0.00 41.12 43.26 2blg n ASP 64 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 2blg s GLU 65 N 0.00 1.43 -0.81 -0.67 0.41 -1.26 -5.07 118.70 112.72 2blg s GLU 65 Ca 0.00 -1.41 -0.20 0.00 -0.41 0.00 0.00 54.97 52.95 2blg s GLU 65 Cb 0.00 -1.83 0.11 0.00 -1.78 0.00 0.00 34.13 30.64 2blg s GLU 65 CO 0.00 0.41 1.02 0.00 -0.49 0.00 0.00 175.26 176.20 2blg s ALA 67 N 2.98 3.31 -0.31 0.00 0.00 -0.31 -4.86 121.76 122.57 2blg s ALA 67 Ca 0.27 0.48 -0.13 0.00 0.00 0.00 0.00 51.96 52.58 2blg s ALA 67 Cb -0.11 -3.11 -0.03 0.00 0.00 0.00 0.00 23.12 19.87 2blg s ALA 67 CO -0.02 0.22 0.25 -0.65 0.00 0.00 0.00 175.76 175.56 2blg s GLN 68 N -1.64 3.72 0.22 0.00 -0.21 -1.26 -1.24 119.66 119.24 2blg s GLN 68 Ca 0.44 -0.43 0.08 0.00 0.02 0.00 0.00 55.36 55.47 2blg s GLN 68 Cb -0.21 -3.74 -0.04 0.00 1.00 0.00 0.00 33.01 30.02 2blg s GLN 68 CO 0.26 -0.34 0.03 0.15 -2.12 0.00 0.00 175.29 173.27 2blg s LYS 69 N 1.81 2.47 -0.20 2.91 1.02 0.73 -4.98 119.74 123.50 2blg s LYS 69 Ca 0.08 -1.19 -0.01 0.00 0.02 0.00 0.00 55.97 54.88 2blg s LYS 69 Cb -0.17 -2.34 0.05 0.00 -0.52 0.00 0.00 37.83 34.86 2blg s LYS 69 CO 0.11 0.42 -0.03 0.21 -0.92 0.00 0.00 175.35 175.14 2blg s LYS 70 N -3.32 1.28 -0.07 1.68 2.20 -1.26 -1.11 119.74 119.14 2blg s LYS 70 Ca 0.30 -0.67 -0.04 0.00 -0.36 0.00 0.00 55.97 55.20 2blg s LYS 70 Cb -0.08 -2.25 -0.04 0.00 -1.51 0.00 0.00 37.83 33.95 2blg s LYS 70 CO 0.20 -0.55 0.10 0.42 -0.36 0.00 0.00 175.35 175.15 2blg s ILE 71 N 1.61 5.02 -0.17 5.43 1.01 0.11 -4.94 121.20 129.27 2blg s ILE 71 Ca -0.02 -0.08 -0.02 0.00 0.00 0.00 0.00 60.65 60.52 2blg s ILE 71 Cb -0.17 -3.21 -0.01 0.00 0.01 0.00 0.00 42.46 39.08 2blg s ILE 71 CO -0.07 0.53 -0.08 -0.51 0.00 0.00 0.00 174.94 174.81 2blg s ILE 72 N -1.06 3.32 -0.31 2.92 1.10 -1.26 0.73 121.20 126.64 2blg s ILE 72 Ca 0.18 -0.54 -0.09 0.00 -0.51 0.00 0.00 60.65 59.68 2blg s ILE 72 Cb -0.12 -2.46 -0.00 0.00 0.15 0.00 0.00 42.46 40.03 2blg s ILE 72 CO 0.07 0.48 0.15 0.00 -2.11 0.00 0.00 174.94 173.53 2blg s ALA 73 N 0.83 3.26 0.19 1.50 0.00 0.21 -3.85 121.76 123.89 2blg s ALA 73 Ca -0.02 -1.41 -0.28 0.00 0.00 0.00 0.00 51.96 50.25 2blg s ALA 73 Cb -0.15 -2.37 -0.08 0.00 0.00 0.00 0.00 23.12 20.52 2blg s ALA 73 CO 0.01 -0.92 0.87 -1.21 0.00 0.00 0.00 175.76 174.51 2blg s GLU 74 N 1.60 4.71 0.65 0.00 2.02 -1.02 -0.09 118.70 126.57 2blg s GLU 74 Ca 0.04 1.34 -0.14 0.00 0.02 0.00 0.00 54.97 56.23 2blg s GLU 74 Cb -0.17 -3.29 -0.01 0.00 0.10 0.00 0.00 34.13 30.76 2blg s GLU 74 CO 0.06 0.49 1.07 -1.59 0.02 0.00 0.00 175.26 175.30 2blg s LYS 75 N -0.95 3.04 0.00 1.61 -2.85 -1.26 -1.51 119.74 117.82 2blg s LYS 75 Ca 0.40 1.16 0.00 0.00 -1.00 0.00 0.00 55.97 56.52 2blg s LYS 75 Cb -0.24 -2.00 0.00 0.00 -2.06 0.00 0.00 37.83 33.53 2blg s LYS 75 CO 0.29 -1.03 0.00 0.25 0.10 0.00 0.00 175.35 174.96 2blg n THR 76 N -2.53 0.00 -0.16 3.79 -2.24 -1.22 -4.83 114.28 107.09 2blg n THR 76 Ca 0.09 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.84 2blg n THR 76 Cb 0.53 0.00 0.18 0.00 -2.10 0.00 0.00 70.33 68.94 2blg n THR 76 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 2blg h LYS 77 N 0.00 0.90 -5.96 -0.78 1.57 -1.98 -3.40 116.57 106.93 2blg h LYS 77 Ca 0.00 -0.17 -0.57 0.00 -1.87 0.00 0.00 60.65 58.04 2blg h LYS 77 Cb 0.00 -0.14 -0.06 0.00 0.08 0.00 0.00 32.23 32.10 2blg h LYS 77 CO 0.00 0.77 0.23 0.42 -0.57 0.00 0.00 179.45 180.30 2blg s ILE 78 N -5.33 4.97 -0.47 1.86 1.09 -1.26 -4.96 121.20 117.10 2blg s ILE 78 Ca -0.10 1.51 0.21 0.00 -1.10 0.00 0.00 60.65 61.17 2blg s ILE 78 Cb 0.16 -4.08 0.22 0.00 -1.06 0.00 0.00 42.46 37.70 2blg s ILE 78 CO 0.81 0.13 1.65 -0.81 -0.10 0.00 0.00 174.94 176.62 2blg n PRO 79 N 4.56 0.16 0.00 2.79 -0.04 -1.26 -2.69 135.00 138.52 2blg n PRO 79 Ca 0.01 0.47 0.10 0.00 -0.04 0.00 0.00 63.50 64.05 2blg n PRO 79 Cb 0.50 -1.85 -0.08 0.00 -0.04 0.00 0.00 33.50 32.03 2blg n PRO 79 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2blg n ALA 80 N -1.74 4.44 -2.70 0.55 0.00 -1.26 -4.88 120.51 114.91 2blg n ALA 80 Ca 0.01 -0.56 -0.34 0.00 0.00 0.00 0.00 53.44 52.55 2blg n ALA 80 Cb 0.16 -0.81 -0.09 0.00 0.00 0.00 0.00 19.45 18.72 2blg n ALA 80 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2blg s VAL 81 N -3.05 4.34 0.08 0.00 1.01 -1.09 -1.78 120.40 119.91 2blg s VAL 81 Ca 0.07 -0.38 0.03 0.00 0.00 0.00 0.00 61.98 61.70 2blg s VAL 81 Cb 0.16 -2.89 -0.03 0.00 0.00 0.00 0.00 36.38 33.62 2blg s VAL 81 CO 0.85 0.50 -0.09 -0.36 0.00 0.00 0.00 175.10 176.00 2blg s PHE 82 N -1.00 0.91 -0.28 5.22 0.40 0.44 -3.44 117.98 120.24 2blg s PHE 82 Ca 0.17 -0.67 -0.06 0.00 -0.60 0.00 0.00 56.93 55.77 2blg s PHE 82 Cb -0.11 -0.52 0.01 0.00 0.51 0.00 0.00 43.02 42.91 2blg s PHE 82 CO 0.06 -0.06 0.05 0.15 0.70 0.00 0.00 175.22 176.12 2blg s LYS 83 N -2.66 3.07 0.49 0.44 1.02 -0.57 0.16 119.74 121.68 2blg s LYS 83 Ca 0.02 -0.86 -0.12 0.00 0.02 0.00 0.00 55.97 55.03 2blg s LYS 83 Cb -0.03 -3.28 -0.06 0.00 -0.52 0.00 0.00 37.83 33.93 2blg s LYS 83 CO -0.01 -0.42 0.89 0.96 -0.92 0.00 0.00 175.35 175.85 2blg s ILE 84 N 1.47 4.71 -1.08 2.17 -4.36 0.53 -2.44 121.20 122.20 2blg s ILE 84 Ca 0.02 0.79 -0.23 0.00 -0.26 0.00 0.00 60.65 60.98 2blg s ILE 84 Cb -0.17 -3.78 -0.03 0.00 1.25 0.00 0.00 42.46 39.74 2blg s ILE 84 CO 0.01 -0.74 1.84 -1.81 0.24 0.00 0.00 174.94 174.47 2blg s ASP 85 N -3.47 5.57 -0.04 4.36 1.11 -1.25 -4.35 116.67 118.60 2blg s ASP 85 Ca 0.54 -1.42 -0.30 0.00 0.18 0.00 0.00 52.55 51.55 2blg s ASP 85 Cb -0.10 -2.57 0.11 0.00 1.07 0.00 0.00 42.92 41.42 2blg s ASP 85 CO 0.38 -2.44 1.09 0.00 1.18 0.00 0.00 175.17 175.38 2blg s ALA 86 N 8.75 -1.96 0.17 5.23 0.00 -1.26 -5.00 121.76 127.69 2blg s ALA 86 Ca 0.63 0.96 -0.25 0.00 0.00 0.00 0.00 51.96 53.30 2blg s ALA 86 Cb -0.02 0.28 0.04 0.00 0.00 0.00 0.00 23.12 23.42 2blg s ALA 86 CO 0.04 -0.81 1.57 1.25 0.00 0.00 0.00 175.76 177.81 2blg h LEU 87 N 2.00 -1.50 -8.27 0.00 6.46 -2.04 -3.37 115.31 108.60 2blg h LEU 87 Ca -0.20 0.25 -0.55 0.00 -0.12 0.00 0.00 57.88 57.25 2blg h LEU 87 Cb 1.21 0.68 -0.04 0.00 -0.73 0.00 0.00 40.66 41.78 2blg h LEU 87 CO 0.27 -0.33 1.61 0.59 -0.62 0.00 0.00 178.44 179.96 2blg n ASN 88 N -5.40 1.25 -4.58 1.25 3.02 -1.26 -4.74 115.26 104.80 2blg n ASN 88 Ca 0.02 0.09 -0.26 0.00 -0.03 0.00 0.00 54.58 54.41 2blg n ASN 88 Cb 0.35 -1.16 -0.07 0.00 -0.61 0.00 0.00 39.78 38.28 2blg n ASN 88 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2blg s GLU 89 N 7.94 2.28 -0.04 3.52 2.02 -1.26 -4.86 118.70 128.31 2blg s GLU 89 Ca 1.19 -0.93 -0.03 0.00 0.02 0.00 0.00 54.97 55.22 2blg s GLU 89 Cb -0.91 -5.17 -0.04 0.00 0.10 0.00 0.00 34.13 28.10 2blg s GLU 89 CO 0.45 -4.16 0.16 -0.80 0.02 0.00 0.00 175.26 170.92 2blg s ASN 90 N 7.06 6.27 0.09 -0.19 -0.87 -1.26 -2.67 114.94 123.38 2blg s ASN 90 Ca 0.71 0.35 0.08 0.00 -1.57 0.00 0.00 52.86 52.43 2blg s ASN 90 Cb -0.02 -1.96 -0.04 0.00 -0.02 0.00 0.00 41.25 39.21 2blg s ASN 90 CO 0.12 0.30 -0.17 -0.54 -2.57 0.00 0.00 177.10 174.25 2blg s LYS 91 N -1.67 1.93 -0.23 -0.60 1.02 -0.38 -0.35 119.74 119.46 2blg s LYS 91 Ca 0.23 -1.09 0.00 0.00 0.02 0.00 0.00 55.97 55.13 2blg s LYS 91 Cb -0.12 -2.17 0.03 0.00 -0.52 0.00 0.00 37.83 35.04 2blg s LYS 91 CO 0.14 0.50 -0.11 0.08 -0.92 0.00 0.00 175.35 175.04 2blg s VAL 92 N -1.09 2.50 -0.14 3.17 1.01 0.12 -1.26 120.40 124.72 2blg s VAL 92 Ca 0.17 -1.10 -0.01 0.00 0.00 0.00 0.00 61.98 61.04 2blg s VAL 92 Cb -0.11 -2.24 -0.02 0.00 0.00 0.00 0.00 36.38 34.01 2blg s VAL 92 CO 0.09 0.27 -0.10 -0.76 0.00 0.00 0.00 175.10 174.60 2blg s LEU 93 N 1.28 2.87 -0.32 3.92 1.02 -0.24 -0.42 118.68 126.80 2blg s LEU 93 Ca 0.00 -0.27 -0.16 0.00 0.02 0.00 0.00 54.13 53.72 2blg s LEU 93 Cb -0.16 -1.66 -0.02 0.00 0.02 0.00 0.00 46.19 44.37 2blg s LEU 93 CO -0.07 0.17 0.43 -0.69 0.02 0.00 0.00 176.35 176.20 2blg s VAL 94 N 0.35 5.11 -0.05 -1.59 1.01 -0.73 -0.80 120.40 123.71 2blg s VAL 94 Ca -0.09 0.37 -0.19 0.00 0.00 0.00 0.00 61.98 62.07 2blg s VAL 94 Cb -0.15 -3.83 -0.31 0.00 0.00 0.00 0.00 36.38 32.09 2blg s VAL 94 CO 0.05 -0.04 0.83 -0.07 0.00 0.00 0.00 175.10 175.86 2blg h LEU 95 N 8.81 0.51 -7.00 3.92 4.07 -0.94 -2.08 115.31 122.61 2blg h LEU 95 Ca -0.30 -0.92 0.09 0.00 0.08 0.00 0.00 57.88 56.83 2blg h LEU 95 Cb 1.14 -0.17 -0.17 0.00 1.08 0.00 0.00 40.66 42.55 2blg h LEU 95 CO 0.70 1.51 0.48 -0.62 -1.08 0.00 0.00 178.44 179.43 2blg s ASP 96 N -7.10 -0.39 -0.28 -0.43 2.15 -1.19 -2.66 116.67 106.78 2blg s ASP 96 Ca -0.14 0.11 -0.27 0.00 0.43 0.00 0.00 52.55 52.68 2blg s ASP 96 Cb 0.02 0.38 0.17 0.00 -0.30 0.00 0.00 42.92 43.20 2blg s ASP 96 CO 0.84 -0.58 1.31 0.28 -0.17 0.00 0.00 175.17 176.84 2blg s THR 97 N -2.68 0.00 -1.08 1.71 -1.32 -1.26 -0.94 115.64 110.07 2blg s THR 97 Ca 0.03 0.00 0.12 0.00 -1.21 0.00 0.00 61.69 60.63 2blg s THR 97 Cb -0.01 -1.00 0.35 0.00 -1.51 0.00 0.00 72.50 70.34 2blg s THR 97 CO -0.06 0.00 1.29 -0.90 -2.21 0.00 0.00 174.62 172.74 2blg n ASP 98 N 1.32 3.07 0.00 8.08 5.75 -1.24 -4.99 116.55 128.54 2blg n ASP 98 Ca -0.08 -2.00 0.00 0.00 -0.01 0.00 0.00 54.79 52.70 2blg n ASP 98 Cb 0.57 -0.27 0.00 0.00 -1.03 0.00 0.00 41.12 40.40 2blg n ASP 98 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 2blg n TYR 99 N 0.68 0.00 0.11 2.11 4.01 -1.26 -4.50 117.16 118.31 2blg n TYR 99 Ca 0.13 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.96 2blg n TYR 99 Cb 0.45 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.49 2blg n TYR 99 CO 0.00 0.00 0.00 1.57 -0.46 0.00 0.00 176.86 177.97 2blg h LYS 100 N 0.00 0.00 0.00 -0.72 2.10 -1.94 -3.46 116.57 112.55 2blg h LYS 100 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2blg h LYS 100 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2blg h LYS 100 CO 0.00 0.09 0.00 1.63 -2.00 0.00 0.00 179.45 179.17 2blg n LYS 101 N -2.82 0.00 -4.36 0.07 5.02 -1.26 -4.78 118.16 110.03 2blg n LYS 101 Ca -0.01 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.98 2blg n LYS 101 Cb 0.62 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.59 2blg n LYS 101 CO 0.00 0.00 0.00 2.48 -0.52 0.00 0.00 177.40 179.36 2blg n TYR 102 N -2.41 0.54 -3.52 2.13 4.11 -1.26 -0.21 117.16 116.54 2blg n TYR 102 Ca 0.00 -2.43 -0.00 0.00 -0.00 0.00 0.00 57.90 55.47 2blg n TYR 102 Cb 0.00 -0.37 -0.04 0.00 -0.00 0.00 0.00 39.34 38.92 2blg n TYR 102 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.86 175.69 2blg s LEU 103 N 0.00 -0.78 -0.16 -3.48 0.20 -0.11 -3.60 118.68 110.75 2blg s LEU 103 Ca 0.11 1.10 -0.05 0.00 0.69 0.00 0.00 54.13 55.98 2blg s LEU 103 Cb -0.01 1.92 -0.03 0.00 -0.43 0.00 0.00 46.19 47.64 2blg s LEU 103 CO 0.07 -0.15 -0.01 -0.76 -0.29 0.00 0.00 176.35 175.20 2blg s LEU 104 N 2.48 3.38 0.14 -0.68 1.43 -0.11 -1.18 118.68 124.13 2blg s LEU 104 Ca -0.05 -0.08 -0.05 0.00 -1.03 0.00 0.00 54.13 52.92 2blg s LEU 104 Cb -0.08 -1.83 -0.02 0.00 0.03 0.00 0.00 46.19 44.29 2blg s LEU 104 CO -0.18 0.17 0.16 0.72 0.23 0.00 0.00 176.35 177.44 2blg s PHE 105 N 0.39 0.59 -0.04 0.29 -0.12 -1.13 -0.37 117.98 117.57 2blg s PHE 105 Ca -0.02 -0.97 -0.02 0.00 -0.05 0.00 0.00 56.93 55.87 2blg s PHE 105 Cb -0.14 -0.26 0.03 0.00 -0.63 0.00 0.00 43.02 42.02 2blg s PHE 105 CO 0.02 -0.60 0.09 0.00 -0.05 0.00 0.00 175.22 174.69 2blg s MET 107 N 0.98 3.75 0.01 0.00 -1.94 0.17 -1.08 119.30 121.19 2blg s MET 107 Ca -0.08 0.16 -0.16 0.00 -1.71 0.00 0.00 55.69 53.90 2blg s MET 107 Cb -0.11 -2.99 0.03 0.00 2.01 0.00 0.00 34.83 33.78 2blg s MET 107 CO -0.04 0.55 0.36 -2.00 -0.01 0.00 0.00 175.02 173.88 2blg s GLU 108 N -1.95 0.78 -0.24 2.03 2.12 -0.39 -1.84 118.70 119.22 2blg s GLU 108 Ca 0.33 -0.26 -0.07 0.00 0.36 0.00 0.00 54.97 55.34 2blg s GLU 108 Cb -0.14 0.35 -0.03 0.00 0.26 0.00 0.00 34.13 34.57 2blg s GLU 108 CO 0.18 -0.24 0.05 1.21 -0.54 0.00 0.00 175.26 175.93 2blg s ASN 109 N -1.61 5.05 0.56 -1.70 2.47 -0.99 -1.25 114.94 117.46 2blg s ASN 109 Ca -0.10 -0.21 0.29 0.00 0.42 0.00 0.00 52.86 53.27 2blg s ASN 109 Cb -0.03 -1.90 1.64 0.00 -1.45 0.00 0.00 41.25 39.51 2blg s ASN 109 CO 0.02 -0.01 2.15 0.28 -3.72 0.00 0.00 177.10 175.82 2blg h SER 110 N 8.08 0.00 0.00 -4.21 0.02 -1.88 -2.56 113.55 113.00 2blg h SER 110 Ca -0.38 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.56 2blg h SER 110 Cb 1.17 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.71 2blg h SER 110 CO 0.59 0.07 -0.05 0.00 -1.14 0.00 0.00 176.83 176.30 2blg h ALA 111 N 1.93 0.01 -3.17 3.77 0.00 -1.94 -3.42 119.26 116.44 2blg h ALA 111 Ca -0.00 -0.51 -0.62 0.00 0.00 0.00 0.00 54.91 53.77 2blg h ALA 111 Cb 0.20 0.03 -0.41 0.00 0.00 0.00 0.00 17.79 17.62 2blg h ALA 111 CO 0.01 0.03 -0.68 -1.21 0.00 0.00 0.00 179.25 177.39 2blg s GLU 112 N -2.21 1.67 0.00 0.00 2.02 -1.14 -5.02 118.70 114.03 2blg s GLU 112 Ca -0.19 -2.37 -0.06 0.00 0.02 0.00 0.00 54.97 52.38 2blg s GLU 112 Cb -0.03 -2.84 -0.03 0.00 0.10 0.00 0.00 34.13 31.33 2blg s GLU 112 CO 0.67 -1.15 0.75 -1.35 0.02 0.00 0.00 175.26 174.20 2blg h PRO 113 N 6.54 -0.20 -0.00 0.39 0.11 -1.72 -2.55 132.00 134.57 2blg h PRO 113 Ca -0.03 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.09 2blg h PRO 113 Cb 0.90 0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.06 2blg h PRO 113 CO 0.59 -0.13 0.03 0.93 -0.21 0.00 0.00 178.00 179.21 2blg h GLU 114 N -0.29 0.00 0.00 1.05 5.08 -1.95 0.23 114.58 118.70 2blg h GLU 114 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2blg h GLU 114 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2blg h GLU 114 CO 0.04 0.00 -0.84 1.04 -1.00 0.00 0.00 179.01 178.24 2blg n GLN 115 N -3.09 0.23 -3.17 2.33 6.02 -1.25 -4.62 117.38 113.84 2blg n GLN 115 Ca -0.03 0.02 -0.22 0.00 -0.01 0.00 0.00 57.00 56.76 2blg n GLN 115 Cb 0.10 -1.60 -0.06 0.00 1.02 0.00 0.00 30.24 29.70 2blg n GLN 115 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 2blg n SER 116 N -1.91 -0.46 -3.84 1.08 7.64 0.06 -4.69 113.62 111.50 2blg n SER 116 Ca 0.03 -2.70 -0.24 0.00 1.01 0.00 0.00 58.87 56.97 2blg n SER 116 Cb 0.42 -0.25 -0.17 0.00 -1.01 0.00 0.00 64.21 63.20 2blg n SER 116 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2blg s LEU 117 N -0.78 0.92 -0.04 -3.43 2.96 -1.16 -2.35 118.68 114.80 2blg s LEU 117 Ca 0.34 -0.18 0.02 0.00 -0.22 0.00 0.00 54.13 54.09 2blg s LEU 117 Cb 0.14 -0.61 0.01 0.00 0.50 0.00 0.00 46.19 46.23 2blg s LEU 117 CO -0.14 -0.15 -0.10 -0.69 -1.32 0.00 0.00 176.35 173.95 2blg s VAL 118 N 1.74 0.91 0.18 1.68 1.01 -0.76 -1.66 120.40 123.50 2blg s VAL 118 Ca 0.03 -0.40 0.07 0.00 0.00 0.00 0.00 61.98 61.69 2blg s VAL 118 Cb -0.13 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 35.38 2blg s VAL 118 CO -0.06 0.29 -0.15 0.00 0.00 0.00 0.00 175.10 175.18 2blg s GLN 120 N -3.26 0.97 -0.26 0.00 -0.21 -0.29 -1.73 119.66 114.89 2blg s GLN 120 Ca 0.18 -1.37 0.01 0.00 0.02 0.00 0.00 55.36 54.19 2blg s GLN 120 Cb -0.03 0.27 0.07 0.00 1.00 0.00 0.00 33.01 34.33 2blg s GLN 120 CO 0.06 -0.29 -0.00 0.00 -2.12 0.00 0.00 175.29 172.93 2blg s LEU 122 N 1.39 4.38 0.21 0.00 1.43 -0.33 -0.98 118.68 124.78 2blg s LEU 122 Ca -0.00 0.58 0.09 0.00 -1.03 0.00 0.00 54.13 53.76 2blg s LEU 122 Cb -0.18 -2.22 -0.05 0.00 0.03 0.00 0.00 46.19 43.77 2blg s LEU 122 CO -0.10 0.35 -0.17 0.68 0.23 0.00 0.00 176.35 177.34 2blg s VAL 123 N -0.81 1.91 0.02 -1.59 -7.23 -0.54 -0.93 120.40 111.24 2blg s VAL 123 Ca 0.17 -2.15 -0.19 0.00 -1.81 0.00 0.00 61.98 58.00 2blg s VAL 123 Cb -0.13 -2.03 -0.21 0.00 0.56 0.00 0.00 36.38 34.57 2blg s VAL 123 CO 0.06 -0.46 1.16 0.03 -0.31 0.00 0.00 175.10 175.57 2blg h ARG 124 N 2.74 0.46 -6.17 4.82 2.47 -0.86 0.25 114.38 118.09 2blg h ARG 124 Ca -0.40 -0.44 -0.54 0.00 -1.26 0.00 0.00 59.98 57.34 2blg h ARG 124 Cb 1.22 0.11 -0.08 0.00 -1.65 0.00 0.00 29.97 29.58 2blg h ARG 124 CO 0.58 1.09 -0.58 0.95 0.56 0.00 0.00 179.97 182.56 2blg s THR 125 N -3.41 3.57 -0.20 2.04 -4.23 -1.26 -4.63 115.64 107.53 2blg s THR 125 Ca -0.13 -1.71 -0.06 0.00 -1.18 0.00 0.00 61.69 58.61 2blg s THR 125 Cb 0.04 -3.03 -0.24 0.00 1.34 0.00 0.00 72.50 70.61 2blg s THR 125 CO 0.83 -0.31 3.50 -0.81 -0.54 0.00 0.00 174.62 177.29 2blg n PRO 126 N -1.06 2.18 -4.90 3.99 -0.04 -1.26 -4.83 135.00 129.08 2blg n PRO 126 Ca -0.06 -1.13 -0.31 0.00 -0.04 0.00 0.00 63.50 61.96 2blg n PRO 126 Cb 0.59 -2.09 -0.14 0.00 -0.04 0.00 0.00 33.50 31.83 2blg n PRO 126 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2blg s GLU 127 N 1.18 2.21 -0.69 0.54 2.02 -1.26 -4.51 118.70 118.19 2blg s GLU 127 Ca 0.66 -0.88 -0.27 0.00 0.02 0.00 0.00 54.97 54.50 2blg s GLU 127 Cb 0.30 -2.21 0.03 0.00 0.10 0.00 0.00 34.13 32.35 2blg s GLU 127 CO -0.01 0.57 1.28 0.08 0.02 0.00 0.00 175.26 177.20 2blg s VAL 128 N -0.78 3.79 -0.35 2.63 1.01 -1.26 -4.97 120.40 120.47 2blg s VAL 128 Ca 0.12 0.55 -0.19 0.00 0.00 0.00 0.00 61.98 62.47 2blg s VAL 128 Cb -0.10 -4.82 -0.00 0.00 0.00 0.00 0.00 36.38 31.45 2blg s VAL 128 CO 0.02 -1.67 0.54 -0.62 0.00 0.00 0.00 175.10 173.38 2blg s ASP 129 N 3.67 6.35 0.26 3.32 2.15 -1.26 -4.95 116.67 126.22 2blg s ASP 129 Ca 0.39 0.05 0.03 0.00 0.43 0.00 0.00 52.55 53.45 2blg s ASP 129 Cb -0.08 -2.28 0.35 0.00 -0.30 0.00 0.00 42.92 40.60 2blg s ASP 129 CO 0.18 -0.50 1.65 0.44 -0.17 0.00 0.00 175.17 176.78 2blg h ASP 130 N 8.43 0.41 0.41 -0.34 3.32 -1.99 -2.90 116.42 123.76 2blg h ASP 130 Ca -0.27 -0.17 -0.06 0.00 0.02 0.00 0.00 57.03 56.54 2blg h ASP 130 Cb 1.12 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.55 2blg h ASP 130 CO 0.79 0.77 -0.29 -0.33 -1.72 0.00 0.00 179.24 178.45 2blg h GLU 131 N 0.32 0.00 0.16 3.56 5.08 -1.99 0.84 114.58 122.55 2blg h GLU 131 Ca 0.03 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.09 2blg h GLU 131 Cb 0.85 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.12 2blg h GLU 131 CO 0.07 0.29 -1.31 0.00 -1.00 0.00 0.00 179.01 177.06 2blg h ALA 132 N 1.71 -0.00 -0.09 3.43 0.00 -1.96 -2.92 119.26 119.42 2blg h ALA 132 Ca -0.00 -0.84 -0.10 0.00 0.00 0.00 0.00 54.91 53.97 2blg h ALA 132 Cb 0.57 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2blg h ALA 132 CO 0.04 0.80 -0.39 -0.07 0.00 0.00 0.00 179.25 179.62 2blg h LEU 133 N 0.16 0.21 0.06 0.00 3.38 -1.25 -0.78 115.31 117.09 2blg h LEU 133 Ca -0.19 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 2blg h LEU 133 Cb 2.00 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.70 2blg h LEU 133 CO 0.24 0.59 -0.03 -0.08 0.09 0.00 0.00 178.44 179.24 2blg h GLU 134 N 0.17 -0.08 -0.65 1.13 4.81 -0.86 -1.72 114.58 117.38 2blg h GLU 134 Ca 0.02 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 2blg h GLU 134 Cb 0.78 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.14 2blg h GLU 134 CO 0.06 0.17 0.32 0.87 -0.73 0.00 0.00 179.01 179.70 2blg h LYS 135 N -0.33 0.91 -0.27 1.92 1.57 -1.33 -1.76 116.57 117.29 2blg h LYS 135 Ca -0.01 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.66 2blg h LYS 135 Cb 0.29 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 2blg h LYS 135 CO 0.01 0.69 0.15 0.35 -0.57 0.00 0.00 179.45 180.09 2blg h PHE 136 N 0.91 0.36 -0.64 -1.35 3.57 -0.99 -2.34 116.94 116.46 2blg h PHE 136 Ca 0.23 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.66 2blg h PHE 136 Cb 0.07 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.67 2blg h PHE 136 CO 0.01 0.30 0.17 -0.44 -2.23 0.00 0.00 178.31 176.11 2blg h ASP 137 N 0.32 0.96 -0.72 0.41 3.32 -0.84 -2.05 116.42 117.82 2blg h ASP 137 Ca 0.09 -0.23 -0.00 0.00 0.02 0.00 0.00 57.03 56.91 2blg h ASP 137 Cb 0.05 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.31 2blg h ASP 137 CO -0.02 0.93 0.44 0.11 -1.72 0.00 0.00 179.24 178.99 2blg h LYS 138 N 0.93 0.99 0.00 3.56 1.57 -1.18 -0.54 116.57 121.90 2blg h LYS 138 Ca 0.20 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.88 2blg h LYS 138 Cb 0.34 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 2blg h LYS 138 CO -0.00 0.69 -0.09 0.00 -0.57 0.00 0.00 179.45 179.48 2blg h ALA 139 N 1.48 0.98 0.00 3.86 0.00 -1.16 -3.07 119.26 121.34 2blg h ALA 139 Ca 0.26 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2blg h ALA 139 Cb -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2blg h ALA 139 CO -0.05 0.11 -0.47 -0.07 0.00 0.00 0.00 179.25 178.77 2blg h LEU 140 N 0.00 0.00 -0.64 0.00 4.07 -0.41 -3.40 115.31 114.92 2blg h LEU 140 Ca -0.00 -0.00 0.09 0.00 0.08 0.00 0.00 57.88 58.05 2blg h LEU 140 Cb 0.79 0.00 -0.11 0.00 1.08 0.00 0.00 40.66 42.42 2blg h LEU 140 CO 0.01 0.00 -0.45 0.11 -1.08 0.00 0.00 178.44 177.03 2blg h LYS 141 N 0.00 -0.19 0.00 1.13 1.57 -1.21 -1.19 116.57 116.68 2blg h LYS 141 Ca 0.00 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2blg h LYS 141 Cb 1.00 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.35 2blg h LYS 141 CO 0.00 -0.13 0.00 0.00 -0.57 0.00 0.00 179.45 178.75 2blg n ALA 142 N -3.19 2.56 -2.86 3.86 0.00 -1.26 -4.80 120.51 114.82 2blg n ALA 142 Ca 0.02 -0.18 -0.37 0.00 0.00 0.00 0.00 53.44 52.92 2blg n ALA 142 Cb 0.35 -1.47 -0.06 0.00 0.00 0.00 0.00 19.45 18.27 2blg n ALA 142 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2blg s LEU 143 N -2.01 4.36 -1.27 0.00 1.43 -0.45 -5.01 118.68 115.72 2blg s LEU 143 Ca 0.43 0.44 -0.08 0.00 -1.03 0.00 0.00 54.13 53.89 2blg s LEU 143 Cb 0.20 -2.07 -0.07 0.00 0.03 0.00 0.00 46.19 44.28 2blg s LEU 143 CO 0.33 0.39 2.52 -0.81 0.23 0.00 0.00 176.35 179.02 2blg n PRO 144 N 2.10 2.88 -2.76 1.29 -0.04 -1.26 -4.95 135.00 132.27 2blg n PRO 144 Ca -0.20 -1.86 -0.40 0.00 -0.04 0.00 0.00 63.50 61.00 2blg n PRO 144 Cb 0.55 -2.66 -0.06 0.00 -0.04 0.00 0.00 33.50 31.29 2blg n PRO 144 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 2blg s MET 145 N 2.84 4.83 0.00 0.54 -1.94 -1.26 -4.38 119.30 119.93 2blg s MET 145 Ca 0.55 1.47 0.00 0.00 -1.71 0.00 0.00 55.69 56.00 2blg s MET 145 Cb 0.14 -3.29 0.00 0.00 2.01 0.00 0.00 34.83 33.69 2blg s MET 145 CO -0.04 0.49 0.68 0.72 -0.01 0.00 0.00 175.02 176.86 2blg n HIS 146 N 1.62 0.00 -3.71 -0.03 8.25 0.61 -4.92 115.22 117.04 2blg n HIS 146 Ca -0.02 -0.22 -0.13 0.00 -0.26 0.00 0.00 57.72 57.09 2blg n HIS 146 Cb 0.47 -0.02 -0.09 0.00 1.12 0.00 0.00 29.99 31.47 2blg n HIS 146 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 2blg s ILE 147 N -0.44 0.00 -0.16 1.59 2.07 -1.08 -4.69 121.20 118.50 2blg s ILE 147 Ca 0.00 -0.00 -0.04 0.00 -1.41 0.00 0.00 60.65 59.20 2blg s ILE 147 Cb 0.00 -0.68 0.08 0.00 0.13 0.00 0.00 42.46 41.99 2blg s ILE 147 CO 0.00 -0.00 0.21 -0.60 -1.91 0.00 0.00 174.94 172.64 2blg s ARG 148 N 0.25 0.14 0.05 3.50 6.06 -1.26 -1.76 118.95 125.93 2blg s ARG 148 Ca -0.00 0.41 0.01 0.00 -2.50 0.00 0.00 55.73 53.65 2blg s ARG 148 Cb -0.03 -0.73 -0.04 0.00 0.06 0.00 0.00 34.95 34.21 2blg s ARG 148 CO 0.01 -0.49 0.10 -0.51 -2.50 0.00 0.00 175.30 171.91 2blg s LEU 149 N 2.34 3.93 0.02 -0.88 1.43 0.84 -4.97 118.68 121.39 2blg s LEU 149 Ca 0.05 0.09 0.01 0.00 -1.03 0.00 0.00 54.13 53.24 2blg s LEU 149 Cb -0.14 -2.49 -0.02 0.00 0.03 0.00 0.00 46.19 43.57 2blg s LEU 149 CO -0.10 0.21 -0.04 -0.55 0.23 0.00 0.00 176.35 176.10 2blg s SER 150 N -2.19 0.42 0.17 2.29 0.15 -1.26 -0.79 113.70 112.48 2blg s SER 150 Ca 0.28 -0.48 0.08 0.00 0.70 0.00 0.00 55.95 56.53 2blg s SER 150 Cb -0.12 0.07 -0.04 0.00 -1.71 0.00 0.00 66.02 64.22 2blg s SER 150 CO 0.20 -0.25 -0.17 -0.36 1.20 0.00 0.00 173.24 173.87 2blg s PHE 151 N -1.33 1.73 0.28 3.44 0.08 -0.20 -4.99 117.98 116.99 2blg s PHE 151 Ca -0.13 -0.51 0.07 0.00 0.12 0.00 0.00 56.93 56.48 2blg s PHE 151 Cb -0.09 -0.85 -0.03 0.00 -0.57 0.00 0.00 43.02 41.47 2blg s PHE 151 CO -0.01 0.31 0.27 0.54 -0.10 0.00 0.00 175.22 176.24 2blg s ASN 152 N -2.78 5.64 0.21 1.36 4.22 -1.26 -4.94 114.94 117.38 2blg s ASN 152 Ca 0.16 -0.25 -0.20 0.00 -2.14 0.00 0.00 52.86 50.43 2blg s ASN 152 Cb -0.04 -1.35 0.17 0.00 1.28 0.00 0.00 41.25 41.30 2blg s ASN 152 CO 0.06 -0.16 1.52 -2.65 -2.04 0.00 0.00 177.10 173.83 2blg n PRO 153 N -1.31 -0.27 -0.29 3.55 -0.02 -1.26 -0.86 135.00 134.53 2blg n PRO 153 Ca -0.06 1.50 0.02 0.00 -2.02 0.00 0.00 63.50 62.95 2blg n PRO 153 Cb 0.58 -2.23 0.16 0.00 -0.02 0.00 0.00 33.50 31.99 2blg n PRO 153 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 2blg h THR 154 N 0.00 0.95 -0.24 3.45 2.02 -1.96 -1.27 112.91 115.87 2blg h THR 154 Ca 0.30 -0.29 -0.12 0.00 0.77 0.00 0.00 66.41 67.08 2blg h THR 154 Cb 0.55 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 2blg h THR 154 CO -0.96 0.15 -0.34 1.56 0.37 0.00 0.00 175.52 176.30 2blg h GLN 155 N 0.84 0.51 0.00 6.66 4.20 -1.29 -2.97 115.11 123.06 2blg h GLN 155 Ca 0.39 -0.23 -0.04 0.00 0.06 0.00 0.00 58.65 58.83 2blg h GLN 155 Cb 0.29 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 2blg h GLN 155 CO -0.22 0.78 -0.18 -0.07 -0.67 0.00 0.00 178.83 178.47 2blg h LEU 156 N 0.43 0.00 0.00 1.46 3.38 0.02 -2.88 115.31 117.72 2blg h LEU 156 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2blg h LEU 156 Cb 0.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.55 2blg h LEU 156 CO 0.06 0.18 -0.40 -0.62 0.09 0.00 0.00 178.44 177.76 2blg n GLU 157 N -3.89 0.10 -3.97 1.13 -0.58 -0.93 -4.88 120.64 107.62 2blg n GLU 157 Ca -0.02 0.04 -0.29 0.00 -0.42 0.00 0.00 57.16 56.46 2blg n GLU 157 Cb 0.27 -1.57 -0.04 0.00 -0.57 0.00 0.00 31.44 29.53 2blg n GLU 157 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2blg s GLU 158 N -3.05 3.28 0.25 3.49 8.01 -1.09 -5.07 118.70 124.52 2blg s GLU 158 Ca 0.10 -0.57 -0.30 0.00 0.01 0.00 0.00 54.97 54.22 2blg s GLU 158 Cb 0.16 -2.92 -0.10 0.00 -4.31 0.00 0.00 34.13 26.96 2blg s GLU 158 CO 0.66 0.57 1.38 -0.65 0.01 0.00 0.00 175.26 177.23 2blg s GLN 159 N -2.71 4.32 -2.04 1.61 -0.21 -1.26 -2.29 119.66 117.08 2blg s GLN 159 Ca 0.33 2.21 0.00 0.00 0.02 0.00 0.00 55.36 57.93 2blg s GLN 159 Cb -0.12 -3.13 0.00 0.00 1.00 0.00 0.00 33.01 30.76 2blg s GLN 159 CO 0.26 -0.33 0.00 0.00 -2.12 0.00 0.00 175.29 173.11 2blg n HIS 161 N -2.77 -2.43 0.07 0.00 8.25 -0.97 -5.03 115.22 112.34 2blg n HIS 161 Ca -0.21 0.97 0.01 0.00 -0.26 0.00 0.00 57.72 58.23 2blg n HIS 161 Cb 0.66 -3.18 0.01 0.00 1.12 0.00 0.00 29.99 28.60 2blg n HIS 161 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09