#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lme s LEU 29 N 0.00 3.34 -0.21 -3.43 0.05 -1.26 -4.58 118.68 112.59 3lme s LEU 29 Ca 0.00 1.98 0.01 0.00 0.05 0.00 0.00 54.13 56.17 3lme s LEU 29 Cb 0.00 -4.55 0.05 0.00 -2.05 0.00 0.00 46.19 39.64 3lme s LEU 29 CO 0.00 -1.70 -0.07 -0.75 -0.55 0.00 0.00 176.35 173.28 3lme s LYS 30 N -4.20 1.76 0.18 1.48 2.20 -0.55 -4.99 119.74 115.63 3lme s LYS 30 Ca 0.66 -0.84 -0.33 0.00 -0.36 0.00 0.00 55.97 55.10 3lme s LYS 30 Cb -0.20 -2.41 -0.14 0.00 -1.51 0.00 0.00 37.83 33.57 3lme s LYS 30 CO 0.43 -0.49 1.54 -0.89 -0.36 0.00 0.00 175.35 175.58 3lme n ILE 31 N 4.71 0.24 -2.23 5.43 2.08 -1.26 -1.61 119.36 126.73 3lme n ILE 31 Ca -0.13 -0.06 -0.43 0.00 0.56 0.00 0.00 62.75 62.69 3lme n ILE 31 Cb 0.46 -1.53 -0.02 0.00 -0.75 0.00 0.00 39.64 37.79 3lme n ILE 31 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 3lme s ILE 32 N 0.66 3.92 0.10 1.39 1.01 -0.61 -4.91 121.20 122.77 3lme s ILE 32 Ca 0.76 1.09 -0.24 0.00 0.00 0.00 0.00 60.65 62.26 3lme s ILE 32 Cb -0.67 -3.80 -0.07 0.00 0.01 0.00 0.00 42.46 37.93 3lme s ILE 32 CO 0.41 -0.21 0.72 0.00 0.00 0.00 0.00 174.94 175.87 3lme s ALA 33 N 4.22 3.45 0.91 9.38 0.00 -1.26 -4.47 121.76 134.00 3lme s ALA 33 Ca 0.64 0.26 -0.16 0.00 0.00 0.00 0.00 51.96 52.70 3lme s ALA 33 Cb -0.25 -2.90 -0.08 0.00 0.00 0.00 0.00 23.12 19.89 3lme s ALA 33 CO 0.24 0.23 -0.24 -2.30 0.00 0.00 0.00 175.76 173.68 3lme n PRO 34 N 2.09 -0.05 -3.88 0.00 -0.02 -1.26 -5.05 135.00 126.83 3lme n PRO 34 Ca -0.05 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.33 3lme n PRO 34 Cb 0.50 -1.34 -0.06 0.00 -0.02 0.00 0.00 33.50 32.58 3lme n PRO 34 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3lme s THR 35 N -2.11 0.06 0.26 3.45 2.01 -1.26 -4.98 115.64 113.07 3lme s THR 35 Ca 0.49 -1.16 0.23 0.00 0.31 0.00 0.00 61.69 61.56 3lme s THR 35 Cb -0.24 -1.70 0.21 0.00 0.01 0.00 0.00 72.50 70.78 3lme s THR 35 CO 0.74 -0.27 1.89 -2.24 -0.69 0.00 0.00 174.62 174.05 3lme h ASP 36 N 2.45 0.00 1.47 3.53 3.04 -1.97 -2.15 116.42 122.79 3lme h ASP 36 Ca -0.31 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.48 3lme h ASP 36 Cb 1.24 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.53 3lme h ASP 36 CO 0.45 0.24 -0.18 0.11 -2.04 0.00 0.00 179.24 177.83 3lme h LYS 37 N 0.00 0.00 -6.21 4.15 6.56 -1.98 -3.49 116.57 115.60 3lme h LYS 37 Ca -0.00 0.00 -0.48 0.00 -1.06 0.00 0.00 60.65 59.10 3lme h LYS 37 Cb 0.64 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.27 3lme h LYS 37 CO 0.03 0.00 -0.47 0.99 -2.06 0.00 0.00 179.45 177.94 3lme s THR 38 N -3.16 4.44 0.57 -0.16 2.01 -0.81 -4.86 115.64 113.67 3lme s THR 38 Ca 0.08 -1.25 -0.19 0.00 0.31 0.00 0.00 61.69 60.64 3lme s THR 38 Cb 0.10 -3.48 -0.05 0.00 0.01 0.00 0.00 72.50 69.09 3lme s THR 38 CO 0.65 -0.29 1.16 -0.63 -0.69 0.00 0.00 174.62 174.82 3lme s ILE 39 N -2.13 2.97 -0.24 1.82 1.01 -1.26 -4.51 121.20 118.85 3lme s ILE 39 Ca 0.36 0.59 -0.07 0.00 0.00 0.00 0.00 60.65 61.54 3lme s ILE 39 Cb -0.08 -3.22 -0.02 0.00 0.01 0.00 0.00 42.46 39.14 3lme s ILE 39 CO 0.27 -0.14 0.05 -0.89 0.00 0.00 0.00 174.94 174.22 3lme s THR 40 N -1.75 4.14 0.10 2.92 2.01 -1.26 -4.56 115.64 117.24 3lme s THR 40 Ca 0.74 -0.23 -0.31 0.00 0.31 0.00 0.00 61.69 62.20 3lme s THR 40 Cb -0.26 -2.92 -0.10 0.00 0.01 0.00 0.00 72.50 69.23 3lme s THR 40 CO 0.30 0.36 1.87 -2.16 -0.69 0.00 0.00 174.62 174.30 3lme s PRO 41 N 1.55 4.14 -0.20 4.92 0.04 -1.26 -4.93 135.00 139.26 3lme s PRO 41 Ca 0.06 2.61 0.16 0.00 0.04 0.00 0.00 61.00 63.87 3lme s PRO 41 Cb -0.15 -3.74 0.62 0.00 0.04 0.00 0.00 34.50 31.27 3lme s PRO 41 CO 0.02 -0.87 1.53 -1.13 0.04 0.00 0.00 177.00 176.58 3lme n SER 42 N 6.15 4.41 -0.05 6.66 3.41 -1.26 -5.04 113.62 127.90 3lme n SER 42 Ca 0.18 -3.02 0.00 0.00 -0.26 0.00 0.00 58.87 55.78 3lme n SER 42 Cb 0.39 -0.59 0.00 0.00 -0.26 0.00 0.00 64.21 63.75 3lme n SER 42 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3lme n GLY 43 N -0.20 1.03 2.65 5.00 0.00 -1.26 -5.05 105.19 107.36 3lme n GLY 43 Ca 0.24 -0.63 -0.23 0.00 0.00 0.00 0.00 46.02 45.41 3lme n GLY 43 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3lme n THR 44 N 0.00 2.34 -3.80 2.61 -2.24 -1.26 -4.76 114.28 107.17 3lme n THR 44 Ca 0.00 -1.42 -0.05 0.00 -2.27 0.00 0.00 64.05 60.31 3lme n THR 44 Cb 0.00 -2.13 -0.01 0.00 -2.10 0.00 0.00 70.33 66.09 3lme n THR 44 CO 0.00 0.00 0.00 -1.66 -0.57 0.00 0.00 175.07 172.84 3lme s TRP 45 N 3.54 -0.13 0.41 4.78 1.48 -1.26 -5.18 118.94 122.58 3lme s TRP 45 Ca 0.39 -0.25 0.07 0.00 -1.06 0.00 0.00 56.10 55.25 3lme s TRP 45 Cb 0.10 0.68 -0.07 0.00 -1.16 0.00 0.00 33.47 33.01 3lme s TRP 45 CO -0.02 -1.00 0.04 -1.12 -4.06 0.00 0.00 176.95 170.78 3lme s SER 46 N -2.97 3.97 0.17 -2.66 0.01 -1.26 -4.85 113.70 106.11 3lme s SER 46 Ca 0.12 -1.32 0.02 0.00 1.31 0.00 0.00 55.95 56.08 3lme s SER 46 Cb -0.03 -0.41 0.00 0.00 0.21 0.00 0.00 66.02 65.79 3lme s SER 46 CO 0.04 -0.47 1.38 0.16 0.41 0.00 0.00 173.24 174.77 3lme h ILE 47 N 1.71 1.49 0.00 1.44 3.07 -1.95 -3.42 117.51 119.85 3lme h ILE 47 Ca -0.44 -2.59 0.00 0.00 1.55 0.00 0.00 64.86 63.39 3lme h ILE 47 Cb 1.24 2.44 0.00 0.00 -0.27 0.00 0.00 36.82 40.23 3lme h ILE 47 CO 0.79 0.75 0.00 0.61 -1.05 0.00 0.00 178.15 179.26 3lme n GLY 48 N 0.85 -1.68 3.18 0.16 0.00 -1.26 -0.71 105.19 105.73 3lme n GLY 48 Ca -0.04 -1.10 -0.13 0.00 0.00 0.00 0.00 46.02 44.76 3lme n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lme s ALA 49 N -1.48 -0.63 -0.06 4.61 0.00 -0.47 -1.57 121.76 122.15 3lme s ALA 49 Ca 0.00 0.34 -0.16 0.00 0.00 0.00 0.00 51.96 52.14 3lme s ALA 49 Cb 0.00 -0.08 -0.05 0.00 0.00 0.00 0.00 23.12 22.99 3lme s ALA 49 CO 0.00 -0.21 0.43 0.50 0.00 0.00 0.00 175.76 176.48 3lme s ARG 50 N -0.89 4.14 -0.29 0.00 3.52 -0.63 -0.57 118.95 124.22 3lme s ARG 50 Ca -0.10 0.40 -0.03 0.00 -0.13 0.00 0.00 55.73 55.88 3lme s ARG 50 Cb -0.05 -3.33 0.10 0.00 -1.56 0.00 0.00 34.95 30.11 3lme s ARG 50 CO 0.02 0.42 0.11 0.00 -0.81 0.00 0.00 175.30 175.05 3lme s ALA 51 N -0.21 0.99 0.00 6.12 0.00 0.24 -1.47 121.76 127.43 3lme s ALA 51 Ca 0.24 -1.29 0.00 0.00 0.00 0.00 0.00 51.96 50.91 3lme s ALA 51 Cb -0.16 -1.47 0.00 0.00 0.00 0.00 0.00 23.12 21.49 3lme s ALA 51 CO 0.11 -1.63 0.00 0.41 0.00 0.00 0.00 175.76 174.65 3lme n GLY 52 N 5.09 2.50 0.33 0.00 0.00 -1.26 -1.69 105.19 110.15 3lme n GLY 52 Ca -0.05 0.34 0.13 0.00 0.00 0.00 0.00 46.02 46.44 3lme n GLY 52 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3lme n ASP 53 N 9.24 1.32 -4.72 1.61 8.00 -1.26 -4.93 116.55 125.81 3lme n ASP 53 Ca 0.00 -1.10 -0.23 0.00 0.71 0.00 0.00 54.79 54.17 3lme n ASP 53 Cb 0.00 0.20 -0.06 0.00 -0.02 0.00 0.00 41.12 41.24 3lme n ASP 53 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3lme s PHE 54 N -2.45 2.74 -0.04 1.24 0.08 -0.68 -0.11 117.98 118.76 3lme s PHE 54 Ca 0.24 -0.31 -0.00 0.00 0.12 0.00 0.00 56.93 56.98 3lme s PHE 54 Cb 0.19 -1.51 0.03 0.00 -0.57 0.00 0.00 43.02 41.16 3lme s PHE 54 CO 0.51 0.42 -0.00 0.08 -0.10 0.00 0.00 175.22 176.14 3lme s VAL 55 N -2.37 0.25 -0.33 -0.44 1.01 -0.38 -0.59 120.40 117.55 3lme s VAL 55 Ca 0.36 0.09 0.01 0.00 0.00 0.00 0.00 61.98 62.43 3lme s VAL 55 Cb -0.04 -0.36 0.08 0.00 0.00 0.00 0.00 36.38 36.06 3lme s VAL 55 CO 0.22 0.18 0.04 -0.36 0.00 0.00 0.00 175.10 175.18 3lme s PHE 56 N 1.30 3.49 -0.12 5.22 0.08 0.26 -0.88 117.98 127.33 3lme s PHE 56 Ca -0.06 -2.43 -0.23 0.00 0.12 0.00 0.00 56.93 54.34 3lme s PHE 56 Cb -0.13 -2.56 -0.03 0.00 -0.57 0.00 0.00 43.02 39.73 3lme s PHE 56 CO -0.02 -0.90 0.69 0.42 -0.10 0.00 0.00 175.22 175.31 3lme s ILE 57 N 1.09 5.02 1.26 0.64 -1.09 -0.78 -1.37 121.20 125.97 3lme s ILE 57 Ca 0.02 1.39 -0.20 0.00 -2.23 0.00 0.00 60.65 59.62 3lme s ILE 57 Cb -0.20 -4.02 0.31 0.00 -1.58 0.00 0.00 42.46 36.96 3lme s ILE 57 CO -0.05 0.18 1.07 -0.83 -1.23 0.00 0.00 174.94 174.08 3lme s GLY 58 N 0.95 1.55 0.25 6.18 0.00 0.11 -3.48 107.32 112.88 3lme s GLY 58 Ca 0.35 -0.94 -0.31 0.00 0.00 0.00 0.00 44.72 43.82 3lme s GLY 58 CO 0.15 -0.01 1.52 0.61 0.00 0.00 0.00 173.10 175.36 3lme n GLY 59 N -0.40 1.07 3.24 0.20 0.00 -1.26 -4.69 105.19 103.36 3lme n GLY 59 Ca 0.13 0.51 -0.30 0.00 0.00 0.00 0.00 46.02 46.36 3lme n GLY 59 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3lme s MET 60 N -0.17 2.40 0.37 1.61 -1.94 -0.78 -4.96 119.30 115.84 3lme s MET 60 Ca 0.68 -0.85 0.07 0.00 -1.71 0.00 0.00 55.69 53.89 3lme s MET 60 Cb -0.59 -2.05 -0.01 0.00 2.01 0.00 0.00 34.83 34.19 3lme s MET 60 CO 0.47 0.36 0.43 -1.01 -0.01 0.00 0.00 175.02 175.26 3lme s HIS 61 N -0.13 2.90 -1.61 -0.03 3.76 -1.26 -1.89 115.29 117.02 3lme s HIS 61 Ca -0.03 -0.34 -0.10 0.00 -0.15 0.00 0.00 55.06 54.43 3lme s HIS 61 Cb -0.13 -2.08 -0.07 0.00 1.11 0.00 0.00 32.58 31.40 3lme s HIS 61 CO 0.03 -0.09 2.92 0.41 -0.85 0.00 0.00 174.74 177.16 3lme n GLY 62 N -1.61 4.32 3.77 -2.22 0.00 -1.26 -4.09 105.19 104.11 3lme n GLY 62 Ca 0.02 -1.54 -0.22 0.00 0.00 0.00 0.00 46.02 44.28 3lme n GLY 62 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3lme s THR 63 N 1.95 3.36 0.00 2.61 -4.23 -1.26 -2.36 115.64 115.71 3lme s THR 63 Ca 0.69 -1.58 -0.30 0.00 -1.18 0.00 0.00 61.69 59.31 3lme s THR 63 Cb 0.18 -3.07 -0.04 0.00 1.34 0.00 0.00 72.50 70.91 3lme s THR 63 CO -0.06 -0.21 1.07 -0.62 -0.54 0.00 0.00 174.62 174.26 3lme s ASP 64 N -3.88 7.23 0.30 3.99 -1.08 -0.30 -4.85 116.67 118.09 3lme s ASP 64 Ca 0.38 1.77 0.02 0.00 -0.52 0.00 0.00 52.55 54.20 3lme s ASP 64 Cb -0.04 -2.57 0.58 0.00 -1.46 0.00 0.00 42.92 39.42 3lme s ASP 64 CO 0.24 -0.38 1.87 0.08 0.52 0.00 0.00 175.17 177.49 3lme h ARG 65 N 6.91 0.94 0.00 4.34 0.11 -1.91 -0.96 114.38 123.81 3lme h ARG 65 Ca -0.39 -0.06 -0.15 0.00 0.10 0.00 0.00 59.98 59.48 3lme h ARG 65 Cb 1.20 -0.21 -0.02 0.00 1.11 0.00 0.00 29.97 32.05 3lme h ARG 65 CO 0.80 0.63 -1.03 -0.24 0.10 0.00 0.00 179.97 180.22 3lme h VAL 66 N 0.97 0.72 0.00 0.08 3.04 -1.92 -3.38 116.25 115.76 3lme h VAL 66 Ca 0.45 -2.18 -0.15 0.00 -1.01 0.00 0.00 66.70 63.82 3lme h VAL 66 Cb 0.41 2.24 -0.03 0.00 -2.01 0.00 0.00 31.29 31.91 3lme h VAL 66 CO -0.21 0.41 -1.56 0.35 -1.01 0.00 0.00 177.57 175.55 3lme n THR 67 N -3.05 0.56 -0.91 3.17 -2.24 -1.17 -5.00 114.28 105.65 3lme n THR 67 Ca -0.05 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 3lme n THR 67 Cb 0.81 -0.80 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 3lme n THR 67 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3lme n GLY 68 N 2.61 0.88 3.77 3.38 0.00 -0.37 -5.01 105.19 110.45 3lme n GLY 68 Ca -0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.49 3lme n GLY 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3lme s LYS 69 N -0.09 4.53 -0.26 1.61 -0.14 -1.26 -4.76 119.74 119.36 3lme s LYS 69 Ca 0.00 1.60 -0.29 0.00 -1.36 0.00 0.00 55.97 55.92 3lme s LYS 69 Cb 0.00 -2.96 -0.02 0.00 -1.68 0.00 0.00 37.83 33.18 3lme s LYS 69 CO 0.00 0.17 1.52 -1.64 -0.76 0.00 0.00 175.35 174.64 3lme s MET 70 N -1.79 3.78 0.35 1.68 -1.94 -1.26 -1.14 119.30 118.97 3lme s MET 70 Ca 0.49 1.47 -0.25 0.00 -1.71 0.00 0.00 55.69 55.69 3lme s MET 70 Cb -0.26 -4.00 -0.13 0.00 2.01 0.00 0.00 34.83 32.45 3lme s MET 70 CO 0.33 -1.30 0.76 0.28 -0.01 0.00 0.00 175.02 175.08 3lme n VAL 71 N 6.47 1.98 -2.88 -6.03 0.31 -0.99 -4.94 118.33 112.25 3lme n VAL 71 Ca 0.18 -0.50 -0.40 0.00 -0.01 0.00 0.00 64.34 63.61 3lme n VAL 71 Cb 0.46 -0.72 -0.06 0.00 -0.91 0.00 0.00 33.84 32.62 3lme n VAL 71 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 3lme s ASP 72 N -0.80 7.47 0.00 4.52 1.01 -1.26 -4.60 116.67 123.00 3lme s ASP 72 Ca 0.62 1.74 0.00 0.00 0.71 0.00 0.00 52.55 55.62 3lme s ASP 72 Cb -0.67 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 40.72 3lme s ASP 72 CO 0.58 0.14 0.00 0.61 0.21 0.00 0.00 175.17 176.71 3lme n GLY 73 N 1.72 -2.04 0.00 0.21 0.00 -1.26 -4.51 105.19 99.31 3lme n GLY 73 Ca -0.03 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.87 3lme n GLY 73 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3lme n ASP 74 N -0.48 0.00 -0.21 1.61 8.00 -1.26 -1.26 116.55 122.95 3lme n ASP 74 Ca 0.00 0.91 0.00 0.00 0.71 0.00 0.00 54.79 56.41 3lme n ASP 74 Cb 0.00 -0.41 0.09 0.00 -0.02 0.00 0.00 41.12 40.78 3lme n ASP 74 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 3lme h GLU 75 N 0.00 0.06 -0.36 -1.24 4.81 -1.97 -0.19 114.58 115.69 3lme h GLU 75 Ca 0.00 -0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 3lme h GLU 75 Cb 0.00 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 3lme h GLU 75 CO 0.00 0.04 -0.03 0.00 -0.73 0.00 0.00 179.01 178.29 3lme h ALA 76 N 1.60 1.29 0.19 2.92 0.00 -1.73 -2.23 119.26 121.29 3lme h ALA 76 Ca 0.32 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3lme h ALA 76 Cb 0.51 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3lme h ALA 76 CO -0.59 0.48 -0.09 -0.09 0.00 0.00 0.00 179.25 178.96 3lme h ARG 77 N 0.54 -0.24 -0.06 0.00 2.43 0.35 0.32 114.38 117.71 3lme h ARG 77 Ca 0.11 0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.31 3lme h ARG 77 Cb 0.39 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.99 3lme h ARG 77 CO 0.02 0.10 0.05 0.82 -1.51 0.00 0.00 179.97 179.44 3lme h ILE 78 N -0.61 0.82 0.00 1.20 2.04 -1.29 -0.88 117.51 118.79 3lme h ILE 78 Ca -0.03 0.00 -0.16 0.00 1.00 0.00 0.00 64.86 65.68 3lme h ILE 78 Cb 0.45 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 3lme h ILE 78 CO 0.04 0.00 -0.76 -0.09 0.00 0.00 0.00 178.15 177.34 3lme h ARG 79 N 0.00 0.00 -0.06 2.37 9.65 -1.01 -2.97 114.38 122.36 3lme h ARG 79 Ca 0.03 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.89 3lme h ARG 79 Cb 0.13 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.70 3lme h ARG 79 CO -0.00 0.76 -0.02 -0.09 2.80 0.00 0.00 179.97 183.41 3lme h ARG 80 N 0.00 0.12 -0.75 0.20 9.65 0.36 -1.49 114.38 122.48 3lme h ARG 80 Ca -0.01 -0.05 0.07 0.00 -1.10 0.00 0.00 59.98 58.89 3lme h ARG 80 Cb 1.50 -0.00 -0.10 0.00 -1.39 0.00 0.00 29.97 29.98 3lme h ARG 80 CO 0.10 0.49 -0.53 1.98 2.80 0.00 0.00 179.97 184.81 3lme h MET 81 N -0.25 -0.10 -0.73 0.20 4.05 -1.31 0.63 114.93 117.42 3lme h MET 81 Ca 0.01 0.01 0.01 0.00 -0.28 0.00 0.00 59.70 59.45 3lme h MET 81 Cb 0.45 0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 31.23 3lme h MET 81 CO 0.01 -0.07 0.49 0.74 0.23 0.00 0.00 176.91 178.30 3lme h PHE 82 N -0.11 0.92 -0.50 1.39 0.04 -1.45 -1.30 116.94 115.93 3lme h PHE 82 Ca 0.12 0.02 -0.08 0.00 2.80 0.00 0.00 57.97 60.84 3lme h PHE 82 Cb 0.42 -0.31 -0.02 0.00 2.20 0.00 0.00 35.95 38.24 3lme h PHE 82 CO -0.93 0.58 0.00 -0.44 -0.60 0.00 0.00 178.31 176.92 3lme h ASP 83 N 0.99 0.80 0.69 2.17 3.32 -0.05 0.33 116.42 124.66 3lme h ASP 83 Ca 0.27 -0.20 -0.03 0.00 0.02 0.00 0.00 57.03 57.09 3lme h ASP 83 Cb -0.11 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.23 3lme h ASP 83 CO -0.06 0.86 -0.38 0.78 -1.72 0.00 0.00 179.24 178.73 3lme h ASN 84 N 0.77 -0.92 -0.89 6.45 -0.26 0.54 -0.92 115.58 120.36 3lme h ASN 84 Ca 0.15 0.04 0.24 0.00 -0.56 0.00 0.00 56.30 56.17 3lme h ASN 84 Cb 0.46 0.25 -0.14 0.00 -1.06 0.00 0.00 38.32 37.84 3lme h ASN 84 CO 0.02 -0.61 0.29 -0.03 -1.06 0.00 0.00 177.43 176.05 3lme h MET 85 N -0.98 0.25 0.00 0.81 4.05 -0.88 -1.40 114.93 116.78 3lme h MET 85 Ca -0.09 -0.01 -0.12 0.00 -0.28 0.00 0.00 59.70 59.19 3lme h MET 85 Cb 0.77 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 31.50 3lme h MET 85 CO 0.13 0.16 -0.59 -0.07 0.23 0.00 0.00 176.91 176.78 3lme h LEU 86 N 0.26 0.00 -0.21 3.39 3.38 -0.25 -1.40 115.31 120.46 3lme h LEU 86 Ca 0.57 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.48 3lme h LEU 86 Cb 1.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 3lme h LEU 86 CO -0.62 0.59 -0.09 0.00 0.09 0.00 0.00 178.44 178.41 3lme h ALA 87 N 1.41 0.30 -0.48 1.53 0.00 -0.13 -0.98 119.26 120.91 3lme h ALA 87 Ca -0.01 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 3lme h ALA 87 Cb 1.31 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 3lme h ALA 87 CO 0.08 0.12 0.29 0.00 0.00 0.00 0.00 179.25 179.74 3lme h ALA 88 N 0.72 0.61 -0.69 0.00 0.00 -1.21 0.15 119.26 118.84 3lme h ALA 88 Ca 0.05 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.92 3lme h ALA 88 Cb 0.57 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 3lme h ALA 88 CO 0.03 0.09 0.46 0.00 0.00 0.00 0.00 179.25 179.83 3lme h ALA 89 N 1.14 1.55 -0.28 0.00 0.00 -1.20 -2.09 119.26 118.39 3lme h ALA 89 Ca 0.17 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.91 3lme h ALA 89 Cb -0.02 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 3lme h ALA 89 CO -0.03 0.40 -0.37 1.49 0.00 0.00 0.00 179.25 180.74 3lme h GLU 90 N 0.89 0.62 -0.01 0.00 4.22 0.25 0.12 114.58 120.67 3lme h GLU 90 Ca 0.26 -0.30 0.00 0.00 0.08 0.00 0.00 59.36 59.40 3lme h GLU 90 Cb -0.04 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 3lme h GLU 90 CO -0.06 0.90 0.01 0.00 -2.18 0.00 0.00 179.01 177.68 3lme h ALA 91 N 1.07 1.25 -0.44 2.92 0.00 -0.04 0.05 119.26 124.06 3lme h ALA 91 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3lme h ALA 91 Cb 0.88 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.67 3lme h ALA 91 CO 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.31 3lme n ALA 92 N -2.18 2.24 -1.55 0.00 0.00 -0.88 -4.97 120.51 113.17 3lme n ALA 92 Ca -0.03 -1.17 0.00 0.00 0.00 0.00 0.00 53.44 52.25 3lme n ALA 92 Cb 0.09 -0.57 0.00 0.00 0.00 0.00 0.00 19.45 18.97 3lme n ALA 92 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3lme n GLY 93 N 0.84 0.60 3.44 0.00 0.00 0.00 -5.05 105.19 105.02 3lme n GLY 93 Ca 0.15 -0.78 -0.33 0.00 0.00 0.00 0.00 46.02 45.06 3lme n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lme s ALA 94 N -2.00 2.72 0.38 4.61 0.00 0.35 -4.90 121.76 122.92 3lme s ALA 94 Ca 0.00 -0.91 0.07 0.00 0.00 0.00 0.00 51.96 51.13 3lme s ALA 94 Cb 0.00 -1.18 -0.01 0.00 0.00 0.00 0.00 23.12 21.92 3lme s ALA 94 CO 0.00 0.37 0.43 0.95 0.00 0.00 0.00 175.76 177.51 3lme s THR 95 N -0.08 3.30 0.53 0.00 -4.23 -1.26 -2.72 115.64 111.18 3lme s THR 95 Ca -0.01 -1.18 0.19 0.00 -1.18 0.00 0.00 61.69 59.51 3lme s THR 95 Cb -0.14 -3.14 0.30 0.00 1.34 0.00 0.00 72.50 70.86 3lme s THR 95 CO 0.03 -0.08 2.15 0.07 -0.54 0.00 0.00 174.62 176.25 3lme h LYS 96 N 0.95 0.00 0.00 3.99 2.10 -1.99 -0.21 116.57 121.42 3lme h LYS 96 Ca -0.43 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.22 3lme h LYS 96 Cb 1.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 3lme h LYS 96 CO 0.53 0.00 0.00 0.00 -2.00 0.00 0.00 179.45 177.98 3lme n ALA 97 N -2.51 1.49 0.82 0.07 0.00 -1.26 -2.82 120.51 116.29 3lme n ALA 97 Ca -0.01 -0.03 0.09 0.00 0.00 0.00 0.00 53.44 53.49 3lme n ALA 97 Cb 0.16 -1.10 0.03 0.00 0.00 0.00 0.00 19.45 18.54 3lme n ALA 97 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3lme n ASP 98 N -1.27 2.15 -4.67 0.00 8.00 -0.09 -4.97 116.55 115.70 3lme n ASP 98 Ca 0.03 -1.58 -0.42 0.00 0.71 0.00 0.00 54.79 53.53 3lme n ASP 98 Cb 0.05 0.27 -0.03 0.00 -0.02 0.00 0.00 41.12 41.39 3lme n ASP 98 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3lme s ALA 99 N -1.90 3.64 -0.25 2.24 0.00 -1.13 -0.65 121.76 123.71 3lme s ALA 99 Ca 0.19 1.06 0.20 0.00 0.00 0.00 0.00 51.96 53.41 3lme s ALA 99 Cb 0.15 -3.72 -0.30 0.00 0.00 0.00 0.00 23.12 19.25 3lme s ALA 99 CO 0.37 -1.27 0.55 1.33 0.00 0.00 0.00 175.76 176.74 3lme n VAL 100 N 5.15 0.00 -3.70 0.00 0.24 0.36 -4.60 118.33 115.78 3lme n VAL 100 Ca 0.17 -0.36 -0.11 0.00 -2.04 0.00 0.00 64.34 61.99 3lme n VAL 100 Cb 0.42 0.26 -0.10 0.00 -1.47 0.00 0.00 33.84 32.95 3lme n VAL 100 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3lme s ARG 101 N -3.30 0.48 -0.11 7.34 3.52 -1.08 -4.35 118.95 121.45 3lme s ARG 101 Ca -0.04 0.75 0.03 0.00 -0.13 0.00 0.00 55.73 56.34 3lme s ARG 101 Cb 0.14 0.12 0.01 0.00 -1.56 0.00 0.00 34.95 33.66 3lme s ARG 101 CO 0.85 -0.11 -0.19 -0.51 -0.81 0.00 0.00 175.30 174.52 3lme s LEU 102 N 0.89 1.92 -0.20 -0.88 1.43 -0.77 -1.72 118.68 119.35 3lme s LEU 102 Ca -0.05 -0.50 -0.01 0.00 -1.03 0.00 0.00 54.13 52.54 3lme s LEU 102 Cb -0.06 -1.25 0.01 0.00 0.03 0.00 0.00 46.19 44.93 3lme s LEU 102 CO -0.07 0.08 -0.13 -0.89 0.23 0.00 0.00 176.35 175.56 3lme s THR 103 N 0.72 2.62 -0.18 5.49 2.01 -0.35 -1.46 115.64 124.48 3lme s THR 103 Ca -0.11 -0.75 0.00 0.00 0.31 0.00 0.00 61.69 61.14 3lme s THR 103 Cb -0.16 -2.15 0.01 0.00 0.01 0.00 0.00 72.50 70.22 3lme s THR 103 CO 0.02 0.49 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.58 3lme s VAL 104 N 1.35 2.30 -0.16 3.82 1.01 -0.57 0.10 120.40 128.24 3lme s VAL 104 Ca 0.05 -0.86 -0.06 0.00 0.00 0.00 0.00 61.98 61.11 3lme s VAL 104 Cb -0.14 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.23 3lme s VAL 104 CO -0.09 0.52 0.04 -0.36 0.00 0.00 0.00 175.10 175.22 3lme s PHE 105 N 1.27 3.23 0.28 5.22 0.08 0.64 -1.46 117.98 127.24 3lme s PHE 105 Ca 0.04 0.06 0.03 0.00 0.12 0.00 0.00 56.93 57.18 3lme s PHE 105 Cb -0.13 -2.01 -0.06 0.00 -0.57 0.00 0.00 43.02 40.25 3lme s PHE 105 CO -0.10 0.21 0.05 0.14 -0.10 0.00 0.00 175.22 175.41 3lme s VAL 106 N 0.10 0.97 -0.40 -0.44 -7.23 0.12 -0.64 120.40 112.88 3lme s VAL 106 Ca 0.04 -2.01 0.22 0.00 -1.81 0.00 0.00 61.98 58.42 3lme s VAL 106 Cb -0.12 -2.61 -0.16 0.00 0.56 0.00 0.00 36.38 34.05 3lme s VAL 106 CO 0.01 -0.11 0.87 0.41 -0.31 0.00 0.00 175.10 175.97 3lme n THR 107 N -0.54 0.20 -3.33 5.32 -1.04 -0.55 0.02 114.28 114.36 3lme n THR 107 Ca -0.02 -0.36 -0.09 0.00 -2.04 0.00 0.00 64.05 61.53 3lme n THR 107 Cb 0.66 0.10 -0.07 0.00 -1.82 0.00 0.00 70.33 69.19 3lme n THR 107 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3lme s ASP 108 N -4.31 0.37 0.01 8.00 -1.08 -1.26 -4.69 116.67 113.72 3lme s ASP 108 Ca -0.00 -0.09 -0.22 0.00 -0.52 0.00 0.00 52.55 51.72 3lme s ASP 108 Cb 0.13 1.09 -0.18 0.00 -1.46 0.00 0.00 42.92 42.50 3lme s ASP 108 CO 0.83 -0.33 1.23 1.62 0.52 0.00 0.00 175.17 179.05 3lme h VAL 109 N 6.18 1.41 -0.97 1.11 3.04 -1.90 -0.98 116.25 124.13 3lme h VAL 109 Ca -0.14 -1.52 0.14 0.00 -1.01 0.00 0.00 66.70 64.17 3lme h VAL 109 Cb 1.14 2.19 -0.09 0.00 -2.01 0.00 0.00 31.29 32.52 3lme h VAL 109 CO 0.27 0.43 0.59 0.00 -1.01 0.00 0.00 177.57 177.86 3lme h ALA 110 N 0.49 1.51 0.16 3.17 0.00 -2.01 -0.27 119.26 122.31 3lme h ALA 110 Ca -0.00 0.05 -0.31 0.00 0.00 0.00 0.00 54.91 54.65 3lme h ALA 110 Cb 0.79 -0.15 0.03 0.00 0.00 0.00 0.00 17.79 18.46 3lme h ALA 110 CO 0.04 0.11 -1.31 -0.22 0.00 0.00 0.00 179.25 177.87 3lme h LYS 111 N 0.88 0.54 0.00 0.00 3.64 -1.99 -3.41 116.57 116.23 3lme h LYS 111 Ca 0.51 -0.80 -0.01 0.00 -1.27 0.00 0.00 60.65 59.08 3lme h LYS 111 Cb 0.61 0.28 -0.00 0.00 -0.41 0.00 0.00 32.23 32.71 3lme h LYS 111 CO -0.31 1.37 -1.95 0.66 -2.27 0.00 0.00 179.45 176.95 3lme n TYR 112 N -3.73 0.06 -0.34 1.91 4.01 -0.38 -4.34 117.16 114.35 3lme n TYR 112 Ca -0.14 0.02 -0.00 0.00 -0.16 0.00 0.00 57.90 57.62 3lme n TYR 112 Cb 1.03 -0.55 0.13 0.00 -0.31 0.00 0.00 39.34 39.63 3lme n TYR 112 CO 0.00 0.00 0.00 0.07 -0.46 0.00 0.00 176.86 176.47 3lme h ARG 113 N 0.00 1.11 -0.68 -0.72 0.11 -1.28 0.14 114.38 113.06 3lme h ARG 113 Ca -0.02 -0.07 0.12 0.00 0.10 0.00 0.00 59.98 60.12 3lme h ARG 113 Cb 1.05 -0.25 -0.09 0.00 1.11 0.00 0.00 29.97 31.79 3lme h ARG 113 CO 0.00 0.74 0.23 -1.35 0.10 0.00 0.00 179.97 179.69 3lme h PRO 114 N 1.15 0.37 -0.13 0.08 0.11 -1.81 0.85 132.00 132.61 3lme h PRO 114 Ca 0.37 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.46 3lme h PRO 114 Cb 0.03 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.05 3lme h PRO 114 CO -0.13 0.24 0.06 0.28 -0.21 0.00 0.00 178.00 178.24 3lme h VAL 115 N 0.38 1.12 0.52 3.15 2.07 -1.39 -0.89 116.25 121.22 3lme h VAL 115 Ca 0.36 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 67.52 3lme h VAL 115 Cb 0.53 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 3lme h VAL 115 CO -0.39 0.11 -0.46 0.58 0.02 0.00 0.00 177.57 177.43 3lme h VAL 116 N 0.08 0.08 -0.96 2.57 2.07 0.01 0.12 116.25 120.23 3lme h VAL 116 Ca 0.04 0.00 0.29 0.00 0.82 0.00 0.00 66.70 67.85 3lme h VAL 116 Cb 0.12 0.08 -0.17 0.00 -1.52 0.00 0.00 31.29 29.80 3lme h VAL 116 CO -0.01 0.00 0.18 0.78 0.02 0.00 0.00 177.57 178.54 3lme h ASN 117 N -0.98 -0.20 -0.02 0.57 2.35 0.75 0.18 115.58 118.24 3lme h ASN 117 Ca -0.06 0.25 -0.01 0.00 -0.55 0.00 0.00 56.30 55.93 3lme h ASN 117 Cb 0.84 0.38 -0.00 0.00 0.05 0.00 0.00 38.32 39.60 3lme h ASN 117 CO -0.03 -0.31 -0.02 0.50 -1.65 0.00 0.00 177.43 175.92 3lme h LYS 118 N 0.06 0.04 -0.66 0.81 3.64 -0.71 -2.60 116.57 117.16 3lme h LYS 118 Ca 0.63 -0.02 0.07 0.00 -1.27 0.00 0.00 60.65 60.06 3lme h LYS 118 Cb 1.38 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.16 3lme h LYS 118 CO -0.82 0.52 0.44 0.28 -2.27 0.00 0.00 179.45 177.59 3lme h VAL 119 N -0.43 0.98 -0.17 2.00 2.07 0.11 -2.56 116.25 118.25 3lme h VAL 119 Ca 0.00 -0.21 -0.10 0.00 0.82 0.00 0.00 66.70 67.21 3lme h VAL 119 Cb 0.51 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 3lme h VAL 119 CO 0.00 0.11 -0.32 1.56 0.02 0.00 0.00 177.57 178.95 3lme h GLN 120 N 0.62 0.35 -0.33 1.57 4.20 -0.51 -2.51 115.11 118.49 3lme h GLN 120 Ca 0.29 -0.14 -0.08 0.00 0.06 0.00 0.00 58.65 58.78 3lme h GLN 120 Cb 0.34 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 3lme h GLN 120 CO -0.09 0.63 -0.10 -0.22 -0.67 0.00 0.00 178.83 178.38 3lme h LYS 121 N 0.30 0.64 -0.80 1.46 3.64 -1.08 0.13 116.57 120.86 3lme h LYS 121 Ca 0.04 -0.26 0.11 0.00 -1.27 0.00 0.00 60.65 59.27 3lme h LYS 121 Cb 0.71 -0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 32.42 3lme h LYS 121 CO 0.05 0.83 0.43 -0.44 -2.27 0.00 0.00 179.45 178.05 3lme h ASP 122 N 0.42 0.57 0.11 4.20 3.32 -1.31 0.95 116.42 124.67 3lme h ASP 122 Ca 0.08 0.07 -0.23 0.00 0.02 0.00 0.00 57.03 56.96 3lme h ASP 122 Cb 0.60 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.12 3lme h ASP 122 CO 0.04 0.30 -1.15 0.40 -1.72 0.00 0.00 179.24 177.11 3lme h ILE 123 N 0.69 1.21 -0.02 0.35 2.04 -1.17 -3.38 117.51 117.22 3lme h ILE 123 Ca 0.40 -2.42 0.00 0.00 1.00 0.00 0.00 64.86 63.84 3lme h ILE 123 Cb 0.45 2.86 0.00 0.00 -0.74 0.00 0.00 36.82 39.40 3lme h ILE 123 CO -0.29 0.68 -0.35 0.79 0.00 0.00 0.00 178.15 178.98 3lme n TRP 124 N -4.05 0.00 -3.89 1.37 8.01 0.44 -5.07 117.44 114.24 3lme n TRP 124 Ca -0.21 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 55.98 3lme n TRP 124 Cb 0.84 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 30.14 3lme n TRP 124 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3lme n GLY 125 N 1.37 2.68 0.17 6.99 0.00 0.33 -2.81 105.19 113.92 3lme n GLY 125 Ca 0.10 -0.40 0.12 0.00 0.00 0.00 0.00 46.02 45.83 3lme n GLY 125 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3lme h ASP 126 N 7.92 0.00 -0.60 1.61 3.32 -1.95 -3.43 116.42 123.29 3lme h ASP 126 Ca 0.00 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3lme h ASP 126 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3lme h ASP 126 CO 0.00 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.13 3lme n GLY 127 N 1.15 3.04 3.97 2.75 0.00 -1.12 -4.88 105.19 110.09 3lme n GLY 127 Ca 0.03 -1.03 -0.22 0.00 0.00 0.00 0.00 46.02 44.79 3lme n GLY 127 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3lme s PRO 128 N -2.11 2.33 0.12 1.61 0.05 -1.26 -5.09 135.00 130.65 3lme s PRO 128 Ca 0.00 -0.77 0.10 0.00 0.05 0.00 0.00 61.00 60.38 3lme s PRO 128 Cb 0.00 -2.41 -0.04 0.00 0.05 0.00 0.00 34.50 32.10 3lme s PRO 128 CO 0.00 -0.93 -0.23 0.71 0.05 0.00 0.00 177.00 176.60 3lme s TYR 129 N -2.90 2.42 0.72 0.56 2.02 -1.26 -4.93 117.35 113.97 3lme s TYR 129 Ca 0.59 -0.32 -0.11 0.00 -0.37 0.00 0.00 57.07 56.86 3lme s TYR 129 Cb -0.09 -1.30 0.02 0.00 -0.40 0.00 0.00 41.96 40.19 3lme s TYR 129 CO 0.40 0.35 1.07 -1.25 -1.57 0.00 0.00 175.55 174.56 3lme s PRO 130 N -2.05 2.71 0.65 -1.71 0.04 -1.26 -5.01 135.00 128.36 3lme s PRO 130 Ca 0.16 0.81 -0.18 0.00 0.04 0.00 0.00 61.00 61.82 3lme s PRO 130 Cb -0.10 -1.98 -0.01 0.00 0.04 0.00 0.00 34.50 32.45 3lme s PRO 130 CO 0.08 -1.22 1.29 -2.14 0.04 0.00 0.00 177.00 175.05 3lme s PRO 131 N -5.11 2.55 0.21 0.56 0.02 -1.26 -4.92 135.00 127.05 3lme s PRO 131 Ca 0.59 2.06 -0.16 0.00 0.02 0.00 0.00 61.00 63.51 3lme s PRO 131 Cb -0.14 -1.85 0.02 0.00 0.02 0.00 0.00 34.50 32.55 3lme s PRO 131 CO 0.54 -1.60 0.49 -0.98 -0.33 0.00 0.00 177.00 175.13 3lme s ARG 132 N -3.38 1.41 -0.10 5.54 1.70 -1.26 -1.85 118.95 121.01 3lme s ARG 132 Ca 0.83 -0.99 -0.08 0.00 -0.47 0.00 0.00 55.73 55.01 3lme s ARG 132 Cb -0.37 0.50 0.03 0.00 -0.57 0.00 0.00 34.95 34.53 3lme s ARG 132 CO 0.40 -0.59 0.27 -0.08 -1.08 0.00 0.00 175.30 174.21 3lme s THR 133 N -3.92 -0.01 -0.17 4.99 -1.32 -0.54 -4.95 115.64 109.73 3lme s THR 133 Ca 0.13 0.03 0.00 0.00 -1.21 0.00 0.00 61.69 60.65 3lme s THR 133 Cb -0.01 -0.38 0.04 0.00 -1.51 0.00 0.00 72.50 70.64 3lme s THR 133 CO 0.01 0.01 -0.09 -0.69 -2.21 0.00 0.00 174.62 171.65 3lme s VAL 134 N 0.42 1.42 0.23 5.08 1.01 -1.26 -1.52 120.40 125.79 3lme s VAL 134 Ca -0.02 -0.76 0.09 0.00 0.00 0.00 0.00 61.98 61.28 3lme s VAL 134 Cb -0.04 -1.49 -0.05 0.00 0.00 0.00 0.00 36.38 34.80 3lme s VAL 134 CO -0.02 0.23 -0.15 -0.76 0.00 0.00 0.00 175.10 174.40 3lme s LEU 135 N 1.51 2.56 -0.15 3.92 1.43 -0.53 -5.01 118.68 122.40 3lme s LEU 135 Ca 0.01 -1.05 -0.09 0.00 -1.03 0.00 0.00 54.13 51.97 3lme s LEU 135 Cb -0.15 -0.78 -0.05 0.00 0.03 0.00 0.00 46.19 45.25 3lme s LEU 135 CO -0.09 -0.14 0.16 -1.58 0.23 0.00 0.00 176.35 174.94 3lme s GLN 136 N -3.62 3.85 0.02 1.70 0.74 -1.26 -0.70 119.66 120.39 3lme s GLN 136 Ca 0.25 -0.12 0.04 0.00 0.05 0.00 0.00 55.36 55.58 3lme s GLN 136 Cb -0.01 -3.31 -0.02 0.00 1.10 0.00 0.00 33.01 30.78 3lme s GLN 136 CO 0.09 0.53 -0.11 0.08 -0.55 0.00 0.00 175.29 175.33 3lme s VAL 137 N -0.32 0.89 -0.02 1.34 1.01 0.10 -4.90 120.40 118.49 3lme s VAL 137 Ca 0.13 -0.75 0.25 0.00 0.00 0.00 0.00 61.98 61.61 3lme s VAL 137 Cb -0.12 -0.80 0.28 0.00 0.00 0.00 0.00 36.38 35.74 3lme s VAL 137 CO 0.02 0.05 1.78 1.55 0.00 0.00 0.00 175.10 178.50 3lme h PRO 138 N 5.30 0.00 -2.42 2.72 0.13 -1.88 -3.37 132.00 132.48 3lme h PRO 138 Ca -0.35 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.70 3lme h PRO 138 Cb 1.18 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.11 3lme h PRO 138 CO 0.46 0.15 -0.01 0.00 -0.23 0.00 0.00 178.00 178.37 3lme s ALA 139 N -3.49 -1.36 0.42 -0.56 0.00 -1.26 -5.01 121.76 110.51 3lme s ALA 139 Ca 0.02 0.99 0.06 0.00 0.00 0.00 0.00 51.96 53.04 3lme s ALA 139 Cb 0.09 -0.08 -0.07 0.00 0.00 0.00 0.00 23.12 23.05 3lme s ALA 139 CO 0.63 -0.32 0.03 -0.51 0.00 0.00 0.00 175.76 175.59 3lme s LEU 140 N -1.06 2.82 0.32 0.00 1.43 -1.26 -5.06 118.68 115.87 3lme s LEU 140 Ca -0.11 -1.38 -0.29 0.00 -1.03 0.00 0.00 54.13 51.32 3lme s LEU 140 Cb -0.02 -0.93 -0.12 0.00 0.03 0.00 0.00 46.19 45.15 3lme s LEU 140 CO 0.07 -0.52 1.50 -0.67 0.23 0.00 0.00 176.35 176.96 3lme n ASP 141 N -1.04 3.54 -3.69 2.29 2.03 -1.26 -2.54 116.55 115.89 3lme n ASP 141 Ca -0.06 1.18 -0.26 0.00 0.52 0.00 0.00 54.79 56.16 3lme n ASP 141 Cb 0.67 -1.56 0.06 0.00 -0.72 0.00 0.00 41.12 39.56 3lme n ASP 141 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3lme n GLN 142 N 1.43 -6.84 -2.19 -0.67 10.64 -1.26 -3.32 117.38 115.16 3lme n GLN 142 Ca 0.06 0.74 -0.18 0.00 -1.83 0.00 0.00 57.00 55.79 3lme n GLN 142 Cb 0.36 -5.72 -0.03 0.00 -0.86 0.00 0.00 30.24 23.99 3lme n GLN 142 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3lme n GLY 143 N -1.86 0.07 3.77 2.61 0.00 -1.05 -4.98 105.19 103.75 3lme n GLY 143 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 3lme n GLY 143 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3lme s ASP 144 N -2.18 4.07 0.16 1.61 -1.08 -1.21 -4.93 116.67 113.12 3lme s ASP 144 Ca 0.00 1.37 0.23 0.00 -0.52 0.00 0.00 52.55 53.63 3lme s ASP 144 Cb 0.00 -2.08 0.02 0.00 -1.46 0.00 0.00 42.92 39.40 3lme s ASP 144 CO 0.00 -2.24 1.03 2.30 0.52 0.00 0.00 175.17 176.78 3lme n ILE 145 N -3.62 0.50 -3.59 4.11 -5.35 -1.26 -4.30 119.36 105.86 3lme n ILE 145 Ca 0.07 -0.48 -0.16 0.00 -0.27 0.00 0.00 62.75 61.91 3lme n ILE 145 Cb 0.56 -0.24 -0.07 0.00 -1.74 0.00 0.00 39.64 38.16 3lme n ILE 145 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3lme s ALA 146 N -3.34 -1.78 -0.06 -1.28 0.00 -1.26 -1.48 121.76 112.56 3lme s ALA 146 Ca 0.00 1.74 -0.05 0.00 0.00 0.00 0.00 51.96 53.65 3lme s ALA 146 Cb 0.11 -0.70 0.02 0.00 0.00 0.00 0.00 23.12 22.55 3lme s ALA 146 CO 0.79 -0.35 0.16 -2.00 0.00 0.00 0.00 175.76 174.36 3lme s GLU 147 N -0.27 0.17 0.03 0.00 2.12 0.19 -4.44 118.70 116.50 3lme s GLU 147 Ca -0.04 0.27 0.08 0.00 0.36 0.00 0.00 54.97 55.63 3lme s GLU 147 Cb -0.03 0.03 -0.03 0.00 0.26 0.00 0.00 34.13 34.36 3lme s GLU 147 CO 0.05 -0.06 -0.22 -1.50 -0.54 0.00 0.00 175.26 172.98 3lme s ILE 148 N 0.36 2.45 -0.18 -3.70 2.07 -0.79 -0.26 121.20 121.15 3lme s ILE 148 Ca -0.02 -1.25 0.01 0.00 -1.41 0.00 0.00 60.65 57.97 3lme s ILE 148 Cb -0.04 -1.98 0.02 0.00 0.13 0.00 0.00 42.46 40.59 3lme s ILE 148 CO -0.02 0.38 -0.20 -1.81 -1.91 0.00 0.00 174.94 171.39 3lme s ASP 149 N -1.25 3.17 0.03 4.50 1.01 0.11 -1.86 116.67 122.39 3lme s ASP 149 Ca 0.13 -0.63 0.08 0.00 0.71 0.00 0.00 52.55 52.83 3lme s ASP 149 Cb -0.10 -1.49 -0.03 0.00 1.01 0.00 0.00 42.92 42.31 3lme s ASP 149 CO 0.03 0.01 -0.22 -0.83 0.21 0.00 0.00 175.17 174.37 3lme s GLY 150 N 1.24 1.47 -0.01 0.21 0.00 -1.23 -1.21 107.32 107.79 3lme s GLY 150 Ca 0.04 -1.20 0.03 0.00 0.00 0.00 0.00 44.72 43.59 3lme s GLY 150 CO -0.11 -1.07 -0.11 -1.59 0.00 0.00 0.00 173.10 170.21 3lme s THR 151 N -0.83 0.90 0.09 0.90 2.01 -0.70 -1.87 115.64 116.13 3lme s THR 151 Ca 0.13 -0.48 0.02 0.00 0.31 0.00 0.00 61.69 61.67 3lme s THR 151 Cb -0.10 -0.76 -0.04 0.00 0.01 0.00 0.00 72.50 71.61 3lme s THR 151 CO 0.03 0.26 -0.08 -0.36 -0.69 0.00 0.00 174.62 173.78 3lme s PHE 152 N -0.21 0.89 -0.13 4.92 0.40 -0.06 -0.48 117.98 123.32 3lme s PHE 152 Ca 0.03 -0.74 0.00 0.00 -0.60 0.00 0.00 56.93 55.63 3lme s PHE 152 Cb -0.05 -0.51 0.02 0.00 0.51 0.00 0.00 43.02 42.99 3lme s PHE 152 CO -0.00 -0.09 -0.12 -0.47 0.70 0.00 0.00 175.22 175.24 3lme s TYR 153 N -2.75 1.88 -2.38 0.36 5.04 0.18 -1.25 117.35 118.43 3lme s TYR 153 Ca 0.05 -0.99 0.19 0.00 -2.44 0.00 0.00 57.07 53.88 3lme s TYR 153 Cb -0.01 -1.43 0.15 0.00 0.35 0.00 0.00 41.96 41.03 3lme s TYR 153 CO -0.02 -0.57 1.10 0.00 -1.34 0.00 0.00 175.55 174.72