#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 3.48 -0.23 -3.43 0.05 -1.26 -4.69 118.68 112.60 3lme s LEU 29 Ca 0.00 2.54 -0.02 0.00 0.05 0.00 0.00 54.13 56.70 3lme s LEU 29 Cb 0.00 -4.61 0.02 0.00 -2.05 0.00 0.00 46.19 39.55 3lme s LEU 29 CO 0.00 -2.11 -0.08 -0.75 -0.55 0.00 0.00 176.35 172.86 3lme s LYS 30 N -3.55 2.98 0.23 1.48 2.20 -0.44 -5.00 119.74 117.64 3lme s LYS 30 Ca 0.80 -0.87 -0.30 0.00 -0.36 0.00 0.00 55.97 55.23 3lme s LYS 30 Cb -0.35 -2.92 -0.10 0.00 -1.51 0.00 0.00 37.83 32.95 3lme s LYS 30 CO 0.41 -0.32 1.50 0.42 -0.36 0.00 0.00 175.35 177.00 3lme s ILE 31 N 1.35 2.57 -0.42 5.43 -1.09 -1.26 -0.82 121.20 126.96 3lme s ILE 31 Ca 0.02 0.45 -0.29 0.00 -2.23 0.00 0.00 60.65 58.61 3lme s ILE 31 Cb -0.15 -3.29 0.01 0.00 -1.58 0.00 0.00 42.46 37.45 3lme s ILE 31 CO -0.06 0.06 1.35 -0.63 -1.23 0.00 0.00 174.94 174.44 3lme s ILE 32 N 0.36 3.98 0.44 2.92 1.01 -0.23 -4.90 121.20 124.77 3lme s ILE 32 Ca 0.63 1.00 -0.25 0.00 0.00 0.00 0.00 60.65 62.04 3lme s ILE 32 Cb -0.43 -4.28 -0.08 0.00 0.01 0.00 0.00 42.46 37.68 3lme s ILE 32 CO 0.40 -0.79 1.35 0.00 0.00 0.00 0.00 174.94 175.90 3lme s ALA 33 N 5.18 3.19 0.54 9.38 0.00 -1.26 -4.55 121.76 134.25 3lme s ALA 33 Ca 0.58 1.33 -0.19 0.00 0.00 0.00 0.00 51.96 53.68 3lme s ALA 33 Cb -0.13 -3.53 -0.06 0.00 0.00 0.00 0.00 23.12 19.40 3lme s ALA 33 CO 0.32 -1.03 1.14 -2.14 0.00 0.00 0.00 175.76 174.05 3lme s PRO 34 N -2.42 3.34 0.32 0.00 0.02 -1.26 -5.03 135.00 129.96 3lme s PRO 34 Ca 0.60 1.63 0.03 0.00 0.02 0.00 0.00 61.00 63.29 3lme s PRO 34 Cb -0.40 -2.01 -0.05 0.00 0.02 0.00 0.00 34.50 32.06 3lme s PRO 34 CO 0.51 -0.87 0.10 0.99 -0.33 0.00 0.00 177.00 177.40 3lme s THR 35 N -1.75 0.77 -2.08 0.99 2.01 -1.26 -5.03 115.64 109.29 3lme s THR 35 Ca 0.73 -2.00 0.30 0.00 0.31 0.00 0.00 61.69 61.03 3lme s THR 35 Cb -0.25 -2.63 0.83 0.00 0.01 0.00 0.00 72.50 70.47 3lme s THR 35 CO 0.28 0.00 2.12 -0.90 -0.69 0.00 0.00 174.62 175.43 3lme n ASP 36 N -0.76 0.24 -0.56 3.53 3.85 -1.26 -2.74 116.55 118.84 3lme n ASP 36 Ca -0.02 -1.11 0.09 0.00 -0.71 0.00 0.00 54.79 53.05 3lme n ASP 36 Cb 0.66 -0.00 0.03 0.00 -1.35 0.00 0.00 41.12 40.46 3lme n ASP 36 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 3lme n LYS 37 N -0.80 1.59 -4.45 0.11 5.02 -1.26 -5.05 118.16 113.32 3lme n LYS 37 Ca 0.23 -1.19 -0.24 0.00 -2.02 0.00 0.00 58.31 55.08 3lme n LYS 37 Cb 0.15 -1.35 -0.10 0.00 -0.02 0.00 0.00 35.03 33.71 3lme n LYS 37 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3lme s THR 38 N -1.87 2.53 0.73 -0.18 2.01 -1.11 -4.84 115.64 112.91 3lme s THR 38 Ca 0.18 -2.33 -0.16 0.00 0.31 0.00 0.00 61.69 59.69 3lme s THR 38 Cb 0.15 -2.32 0.04 0.00 0.01 0.00 0.00 72.50 70.38 3lme s THR 38 CO 0.37 -0.36 1.25 -0.38 -0.69 0.00 0.00 174.62 174.81 3lme n ILE 39 N -0.53 3.50 -3.98 1.82 2.08 -1.26 -4.63 119.36 116.35 3lme n ILE 39 Ca -0.06 -0.35 -0.34 0.00 0.56 0.00 0.00 62.75 62.56 3lme n ILE 39 Cb 0.59 -1.35 -0.14 0.00 -0.75 0.00 0.00 39.64 37.99 3lme n ILE 39 CO 0.00 0.00 0.00 -0.89 0.56 0.00 0.00 176.55 176.22 3lme s THR 40 N -1.76 2.61 0.31 1.39 2.01 -1.26 -4.58 115.64 114.36 3lme s THR 40 Ca 0.78 -1.49 -0.29 0.00 0.31 0.00 0.00 61.69 61.00 3lme s THR 40 Cb -0.34 -2.51 -0.11 0.00 0.01 0.00 0.00 72.50 69.56 3lme s THR 40 CO 0.45 -0.06 1.49 -2.16 -0.69 0.00 0.00 174.62 173.65 3lme s PRO 41 N 1.18 4.18 -0.13 4.92 0.04 -1.26 -4.92 135.00 139.03 3lme s PRO 41 Ca -0.07 2.46 0.17 0.00 0.04 0.00 0.00 61.00 63.60 3lme s PRO 41 Cb -0.20 -3.04 0.28 0.00 0.04 0.00 0.00 34.50 31.59 3lme s PRO 41 CO -0.03 -0.50 1.15 -1.13 0.04 0.00 0.00 177.00 176.53 3lme n SER 42 N 1.59 2.07 0.00 6.66 3.41 -1.26 -5.04 113.62 121.05 3lme n SER 42 Ca 0.05 -3.07 0.00 0.00 -0.26 0.00 0.00 58.87 55.58 3lme n SER 42 Cb 0.39 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.92 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 -1.27 2.32 1.88 5.00 0.00 -1.26 -5.04 105.19 106.82 3lme n GLY 43 Ca 0.15 -0.50 -0.10 0.00 0.00 0.00 0.00 46.02 45.56 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 2.69 -4.00 2.61 -2.24 -1.26 -4.83 114.28 107.25 3lme n THR 44 Ca 0.00 -1.37 -0.11 0.00 -2.27 0.00 0.00 64.05 60.30 3lme n THR 44 Cb 0.00 -1.72 -0.04 0.00 -2.10 0.00 0.00 70.33 66.48 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 0.04 0.59 0.31 4.78 1.48 -1.26 -5.18 118.94 119.70 3lme s TRP 45 Ca 0.40 -0.95 0.06 0.00 -1.06 0.00 0.00 56.10 54.55 3lme s TRP 45 Cb 0.21 0.19 -0.06 0.00 -1.16 0.00 0.00 33.47 32.65 3lme s TRP 45 CO -0.03 -1.14 -0.01 -1.12 -4.06 0.00 0.00 176.95 170.59 3lme s SER 46 N -3.11 2.79 0.33 -2.66 0.01 -1.26 -4.81 113.70 104.99 3lme s SER 46 Ca 0.24 -1.27 0.17 0.00 1.31 0.00 0.00 55.95 56.40 3lme s SER 46 Cb -0.01 -0.17 0.17 0.00 0.21 0.00 0.00 66.02 66.21 3lme s SER 46 CO 0.14 -0.44 1.50 0.16 0.41 0.00 0.00 173.24 175.01 3lme h ILE 47 N 2.16 0.63 0.00 1.44 3.07 -1.94 -3.42 117.51 119.45 3lme h ILE 47 Ca -0.41 -1.86 0.00 0.00 1.55 0.00 0.00 64.86 64.14 3lme h ILE 47 Cb 1.24 2.29 0.00 0.00 -0.27 0.00 0.00 36.82 40.08 3lme h ILE 47 CO 0.70 0.35 0.00 0.61 -1.05 0.00 0.00 178.15 178.76 3lme n GLY 48 N 1.15 -2.26 3.02 0.16 0.00 -1.26 -0.40 105.19 105.60 3lme n GLY 48 Ca 0.02 -1.23 -0.12 0.00 0.00 0.00 0.00 46.02 44.70 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 -1.76 -0.29 -0.06 4.61 0.00 -0.66 -1.07 121.76 122.52 3lme s ALA 49 Ca 0.00 0.23 -0.22 0.00 0.00 0.00 0.00 51.96 51.97 3lme s ALA 49 Cb 0.00 -0.14 -0.04 0.00 0.00 0.00 0.00 23.12 22.94 3lme s ALA 49 CO 0.00 -0.09 0.63 0.50 0.00 0.00 0.00 175.76 176.80 3lme s ARG 50 N -0.25 4.39 -0.31 0.00 3.52 -0.01 -0.98 118.95 125.32 3lme s ARG 50 Ca -0.03 0.77 -0.02 0.00 -0.13 0.00 0.00 55.73 56.32 3lme s ARG 50 Cb -0.02 -3.42 0.10 0.00 -1.56 0.00 0.00 34.95 30.05 3lme s ARG 50 CO 0.00 0.17 0.11 0.00 -0.81 0.00 0.00 175.30 174.77 3lme s ALA 51 N 0.48 1.31 0.00 6.12 0.00 0.87 -1.33 121.76 129.21 3lme s ALA 51 Ca 0.34 -1.55 0.00 0.00 0.00 0.00 0.00 51.96 50.74 3lme s ALA 51 Cb -0.17 -1.57 0.00 0.00 0.00 0.00 0.00 23.12 21.37 3lme s ALA 51 CO 0.17 -1.68 0.00 0.41 0.00 0.00 0.00 175.76 174.66 3lme n GLY 52 N 4.90 2.82 0.11 0.00 0.00 -1.26 -0.91 105.19 110.85 3lme n GLY 52 Ca -0.02 0.30 0.12 0.00 0.00 0.00 0.00 46.02 46.42 3lme n GLY 52 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3lme h ASP 53 N 0.00 0.00 -3.17 1.61 3.32 -1.96 -3.46 116.42 112.76 3lme h ASP 53 Ca 0.00 -0.09 -0.55 0.00 0.02 0.00 0.00 57.03 56.41 3lme h ASP 53 Cb 0.00 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 3lme h ASP 53 CO 0.00 0.05 -0.23 -0.36 -1.72 0.00 0.00 179.24 176.97 3lme s PHE 54 N -3.22 3.47 -0.11 4.55 0.08 -0.09 -0.64 117.98 122.01 3lme s PHE 54 Ca 0.05 0.60 -0.00 0.00 0.12 0.00 0.00 56.93 57.70 3lme s PHE 54 Cb 0.11 -2.05 0.02 0.00 -0.57 0.00 0.00 43.02 40.53 3lme s PHE 54 CO 0.72 0.32 -0.08 0.08 -0.10 0.00 0.00 175.22 176.16 3lme s VAL 55 N -1.84 1.04 -0.34 -0.44 1.01 0.70 -0.09 120.40 120.45 3lme s VAL 55 Ca 0.43 -0.30 -0.09 0.00 0.00 0.00 0.00 61.98 62.02 3lme s VAL 55 Cb -0.11 -1.05 0.02 0.00 0.00 0.00 0.00 36.38 35.24 3lme s VAL 55 CO 0.26 0.37 0.14 -0.36 0.00 0.00 0.00 175.10 175.51 3lme s PHE 56 N 1.66 3.21 -0.10 5.22 0.08 -0.15 -0.09 117.98 127.81 3lme s PHE 56 Ca 0.04 -1.02 -0.17 0.00 0.12 0.00 0.00 56.93 55.90 3lme s PHE 56 Cb -0.13 -2.34 -0.04 0.00 -0.57 0.00 0.00 43.02 39.94 3lme s PHE 56 CO -0.08 -0.62 0.45 0.42 -0.10 0.00 0.00 175.22 175.29 3lme s ILE 57 N 1.51 5.17 1.12 0.64 -1.09 -0.03 -1.66 121.20 126.87 3lme s ILE 57 Ca 0.02 0.90 -0.13 0.00 -2.23 0.00 0.00 60.65 59.21 3lme s ILE 57 Cb -0.18 -3.79 0.26 0.00 -1.58 0.00 0.00 42.46 37.17 3lme s ILE 57 CO 0.05 0.37 1.05 -0.83 -1.23 0.00 0.00 174.94 174.34 3lme s GLY 58 N 0.37 1.55 0.17 6.18 0.00 0.46 -3.71 107.32 112.34 3lme s GLY 58 Ca 0.25 -0.18 -0.33 0.00 0.00 0.00 0.00 44.72 44.46 3lme s GLY 58 CO 0.10 0.51 1.69 0.61 0.00 0.00 0.00 173.10 176.00 3lme n GLY 59 N 0.27 1.38 3.45 0.20 0.00 -1.26 -4.70 105.19 104.54 3lme n GLY 59 Ca 0.04 0.66 -0.32 0.00 0.00 0.00 0.00 46.02 46.40 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 1.37 2.25 0.37 1.61 -1.94 -0.70 -4.92 119.30 117.32 3lme s MET 60 Ca 0.78 -0.87 0.06 0.00 -1.71 0.00 0.00 55.69 53.95 3lme s MET 60 Cb -0.58 -2.25 -0.03 0.00 2.01 0.00 0.00 34.83 33.98 3lme s MET 60 CO 0.36 0.57 0.21 -3.38 -0.01 0.00 0.00 175.02 172.78 3lme s HIS 61 N -0.83 1.76 0.00 -0.03 -3.43 -1.26 -1.48 115.29 110.03 3lme s HIS 61 Ca 0.13 -1.51 -0.04 0.00 -0.80 0.00 0.00 55.06 52.84 3lme s HIS 61 Cb -0.10 -0.91 -0.17 0.00 -1.43 0.00 0.00 32.58 29.97 3lme s HIS 61 CO 0.03 -0.63 2.87 0.41 -2.00 0.00 0.00 174.74 175.42 3lme n GLY 62 N -0.76 2.67 3.90 -1.38 0.00 -1.26 -4.34 105.19 104.03 3lme n GLY 62 Ca 0.01 -0.75 -0.29 0.00 0.00 0.00 0.00 46.02 44.99 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 0.85 4.96 -0.00 2.61 -4.23 -1.26 -1.95 115.64 116.62 3lme s THR 63 Ca 0.42 0.19 -0.30 0.00 -1.18 0.00 0.00 61.69 60.82 3lme s THR 63 Cb 0.20 -3.74 -0.04 0.00 1.34 0.00 0.00 72.50 70.26 3lme s THR 63 CO 0.00 -0.41 1.07 -0.62 -0.54 0.00 0.00 174.62 174.11 3lme s ASP 64 N -3.24 7.24 0.55 3.99 -1.08 0.48 -4.90 116.67 119.71 3lme s ASP 64 Ca 0.46 1.76 0.24 0.00 -0.52 0.00 0.00 52.55 54.48 3lme s ASP 64 Cb -0.11 -2.57 1.49 0.00 -1.46 0.00 0.00 42.92 40.28 3lme s ASP 64 CO 0.31 -0.37 2.13 0.08 0.52 0.00 0.00 175.17 177.83 3lme h ARG 65 N 6.90 0.00 0.00 4.34 0.11 -1.91 0.11 114.38 123.94 3lme h ARG 65 Ca -0.39 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 59.64 3lme h ARG 65 Cb 1.20 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.28 3lme h ARG 65 CO 0.79 0.00 -0.34 0.28 0.10 0.00 0.00 179.97 180.81 3lme h VAL 66 N 0.00 0.74 0.00 0.08 2.07 -1.92 -3.40 116.25 113.83 3lme h VAL 66 Ca 0.07 -1.65 -0.13 0.00 0.82 0.00 0.00 66.70 65.81 3lme h VAL 66 Cb 0.33 1.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 3lme h VAL 66 CO -0.00 0.25 -1.19 0.71 0.02 0.00 0.00 177.57 177.36 3lme h THR 67 N -1.00 0.46 0.00 2.57 1.35 -1.98 -3.48 112.91 110.83 3lme h THR 67 Ca -0.07 -1.85 0.00 0.00 -0.55 0.00 0.00 66.41 63.94 3lme h THR 67 Cb 0.66 2.00 0.00 0.00 -1.73 0.00 0.00 68.15 69.08 3lme h THR 67 CO -0.04 0.26 0.00 0.61 -0.25 0.00 0.00 175.52 176.10 3lme n GLY 68 N 1.33 0.93 3.86 5.82 0.00 0.39 -5.02 105.19 112.50 3lme n GLY 68 Ca -0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.08 3.94 0.35 1.61 -0.14 -1.26 -4.69 119.74 119.47 3lme s LYS 69 Ca 0.00 0.57 -0.26 0.00 -1.36 0.00 0.00 55.97 54.92 3lme s LYS 69 Cb 0.00 -2.47 -0.09 0.00 -1.68 0.00 0.00 37.83 33.59 3lme s LYS 69 CO 0.00 0.17 1.04 -1.64 -0.76 0.00 0.00 175.35 174.15 3lme s MET 70 N -3.05 4.37 0.42 1.68 -1.94 -1.26 -0.38 119.30 119.13 3lme s MET 70 Ca 0.53 1.54 -0.10 0.00 -1.71 0.00 0.00 55.69 55.94 3lme s MET 70 Cb -0.10 -2.75 -0.06 0.00 2.01 0.00 0.00 34.83 33.92 3lme s MET 70 CO 0.20 0.04 0.79 0.08 -0.01 0.00 0.00 175.02 176.11 3lme s VAL 71 N -1.53 4.79 0.47 -6.03 1.01 -0.82 -4.88 120.40 113.41 3lme s VAL 71 Ca 0.53 0.60 -0.11 0.00 0.00 0.00 0.00 61.98 62.99 3lme s VAL 71 Cb -0.24 -3.75 -0.06 0.00 0.00 0.00 0.00 36.38 32.33 3lme s VAL 71 CO 0.30 -0.58 0.86 -1.81 0.00 0.00 0.00 175.10 173.87 3lme s ASP 72 N -3.29 6.48 0.00 3.32 1.01 -1.26 -4.64 116.67 118.28 3lme s ASP 72 Ca 0.51 1.25 0.00 0.00 0.71 0.00 0.00 52.55 55.02 3lme s ASP 72 Cb -0.10 -2.38 0.00 0.00 1.01 0.00 0.00 42.92 41.45 3lme s ASP 72 CO 0.33 -0.53 0.00 0.61 0.21 0.00 0.00 175.17 175.79 3lme n GLY 73 N -1.69 -1.09 0.41 0.21 0.00 -1.26 -4.22 105.19 97.55 3lme n GLY 73 Ca 0.04 -1.09 -0.09 0.00 0.00 0.00 0.00 46.02 44.87 3lme n GLY 73 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3lme h ASP 74 N 0.00 -1.67 0.12 1.61 3.32 -1.99 0.15 116.42 117.97 3lme h ASP 74 Ca 0.00 0.26 -0.24 0.00 0.02 0.00 0.00 57.03 57.07 3lme h ASP 74 Cb 0.00 0.74 0.01 0.00 0.22 0.00 0.00 39.33 40.31 3lme h ASP 74 CO 0.00 -0.33 -0.95 -0.08 -1.72 0.00 0.00 179.24 176.16 3lme h GLU 75 N -0.21 0.59 -0.92 3.56 4.81 -1.97 -2.61 114.58 117.83 3lme h GLU 75 Ca 0.17 -0.60 0.04 0.00 -0.13 0.00 0.00 59.36 58.84 3lme h GLU 75 Cb 0.55 0.16 -0.05 0.00 0.63 0.00 0.00 28.75 30.04 3lme h GLU 75 CO -0.73 1.21 0.60 0.00 -0.73 0.00 0.00 179.01 179.36 3lme h ALA 76 N 0.59 1.43 -0.11 2.92 0.00 -1.74 0.74 119.26 123.09 3lme h ALA 76 Ca -0.09 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3lme h ALA 76 Cb 1.59 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 3lme h ALA 76 CO 0.18 0.47 0.03 -0.09 0.00 0.00 0.00 179.25 179.84 3lme h ARG 77 N 1.13 0.17 -0.20 0.00 9.65 -0.47 -1.24 114.38 123.43 3lme h ARG 77 Ca 0.37 -0.04 -0.08 0.00 -1.10 0.00 0.00 59.98 59.13 3lme h ARG 77 Cb 0.05 -0.02 -0.00 0.00 -1.39 0.00 0.00 29.97 28.60 3lme h ARG 77 CO -0.12 0.32 -0.19 0.82 2.80 0.00 0.00 179.97 183.60 3lme h ILE 78 N -0.01 1.33 -0.76 1.20 2.04 -1.26 -1.32 117.51 118.72 3lme h ILE 78 Ca 0.04 -1.35 0.11 0.00 1.00 0.00 0.00 64.86 64.66 3lme h ILE 78 Cb 0.22 1.75 -0.08 0.00 -0.74 0.00 0.00 36.82 37.97 3lme h ILE 78 CO -0.00 0.41 0.38 -0.09 0.00 0.00 0.00 178.15 178.85 3lme h ARG 79 N 0.17 0.59 -0.18 2.37 9.65 -0.84 -0.74 114.38 125.39 3lme h ARG 79 Ca 0.03 -0.04 -0.10 0.00 -1.10 0.00 0.00 59.98 58.78 3lme h ARG 79 Cb 0.73 -0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 29.17 3lme h ARG 79 CO 0.05 0.39 -0.34 -0.09 2.80 0.00 0.00 179.97 182.78 3lme h ARG 80 N 0.60 0.36 -0.22 0.20 9.65 -1.08 0.11 114.38 124.01 3lme h ARG 80 Ca 0.39 -0.16 -0.00 0.00 -1.10 0.00 0.00 59.98 59.11 3lme h ARG 80 Cb 0.48 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 29.03 3lme h ARG 80 CO -0.31 0.66 0.12 1.98 2.80 0.00 0.00 179.97 185.23 3lme h MET 81 N 0.31 0.31 -0.32 0.20 4.05 -0.40 -0.02 114.93 119.06 3lme h MET 81 Ca 0.04 -0.03 -0.01 0.00 -0.28 0.00 0.00 59.70 59.41 3lme h MET 81 Cb 0.75 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.47 3lme h MET 81 CO 0.06 0.28 0.17 0.74 0.23 0.00 0.00 176.91 178.39 3lme h PHE 82 N 0.25 0.45 -0.43 1.39 0.04 -0.59 -2.00 116.94 116.05 3lme h PHE 82 Ca 0.08 -0.01 0.01 0.00 2.80 0.00 0.00 57.97 60.85 3lme h PHE 82 Cb 0.06 -0.14 -0.03 0.00 2.20 0.00 0.00 35.95 38.04 3lme h PHE 82 CO -0.04 0.37 0.26 -0.44 -0.60 0.00 0.00 178.31 177.87 3lme h ASP 83 N 0.39 0.44 -0.54 2.17 3.32 -0.74 0.11 116.42 121.57 3lme h ASP 83 Ca 0.11 -0.00 0.05 0.00 0.02 0.00 0.00 57.03 57.21 3lme h ASP 83 Cb 0.08 -0.10 -0.05 0.00 0.22 0.00 0.00 39.33 39.49 3lme h ASP 83 CO -0.02 0.31 0.26 0.78 -1.72 0.00 0.00 179.24 178.86 3lme h ASN 84 N 0.53 0.36 -0.13 6.45 -0.26 -0.84 -0.69 115.58 121.00 3lme h ASN 84 Ca 0.17 0.04 -0.00 0.00 -0.56 0.00 0.00 56.30 55.94 3lme h ASN 84 Cb -0.01 -0.03 -0.01 0.00 -1.06 0.00 0.00 38.32 37.22 3lme h ASN 84 CO -0.07 0.24 0.07 -0.03 -1.06 0.00 0.00 177.43 176.58 3lme h MET 85 N 0.50 0.18 -0.06 0.81 4.05 -0.87 -2.40 114.93 117.14 3lme h MET 85 Ca 0.24 -0.02 -0.06 0.00 -0.28 0.00 0.00 59.70 59.59 3lme h MET 85 Cb 0.18 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 30.94 3lme h MET 85 CO -0.19 0.20 -0.23 -0.07 0.23 0.00 0.00 176.91 176.85 3lme h LEU 86 N 0.11 0.10 -0.15 3.39 3.38 -0.41 -0.95 115.31 120.76 3lme h LEU 86 Ca 0.04 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 3lme h LEU 86 Cb 0.07 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3lme h LEU 86 CO -0.01 0.33 -0.02 0.00 0.09 0.00 0.00 178.44 178.83 3lme h ALA 87 N 1.68 0.21 -0.71 1.53 0.00 -0.96 0.15 119.26 121.15 3lme h ALA 87 Ca 0.02 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 54.75 3lme h ALA 87 Cb 0.46 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 3lme h ALA 87 CO 0.03 -0.05 0.43 0.00 0.00 0.00 0.00 179.25 179.66 3lme h ALA 88 N 0.73 0.95 -0.10 0.00 0.00 -0.90 -0.11 119.26 119.83 3lme h ALA 88 Ca 0.04 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3lme h ALA 88 Cb 0.44 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3lme h ALA 88 CO 0.01 0.15 0.04 0.00 0.00 0.00 0.00 179.25 179.45 3lme h ALA 89 N 1.34 0.13 -0.31 0.00 0.00 -0.88 -2.55 119.26 116.98 3lme h ALA 89 Ca 0.30 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3lme h ALA 89 Cb 0.12 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3lme h ALA 89 CO -0.15 -0.27 0.16 1.49 0.00 0.00 0.00 179.25 180.48 3lme h GLU 90 N -0.01 0.42 0.00 0.00 4.22 -0.09 0.11 114.58 119.23 3lme h GLU 90 Ca 0.03 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.44 3lme h GLU 90 Cb 0.19 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.36 3lme h GLU 90 CO -0.00 0.32 0.00 0.00 -2.18 0.00 0.00 179.01 177.14 3lme n ALA 91 N -2.49 1.45 0.01 2.92 0.00 -0.08 -1.65 120.51 120.68 3lme n ALA 91 Ca 0.02 -0.01 0.04 0.00 0.00 0.00 0.00 53.44 53.49 3lme n ALA 91 Cb 0.10 -1.19 0.09 0.00 0.00 0.00 0.00 19.45 18.45 3lme n ALA 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3lme n ALA 92 N -1.54 2.24 -0.34 0.00 0.00 0.27 -4.94 120.51 116.20 3lme n ALA 92 Ca 0.02 -0.95 0.00 0.00 0.00 0.00 0.00 53.44 52.51 3lme n ALA 92 Cb 0.12 -0.32 0.00 0.00 0.00 0.00 0.00 19.45 19.25 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 0.34 0.82 3.89 0.00 0.00 -0.66 -5.02 105.19 104.57 3lme n GLY 93 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.03 3.91 0.46 4.61 0.00 -0.53 -4.95 121.76 123.22 3lme s ALA 94 Ca 0.00 -0.85 0.06 0.00 0.00 0.00 0.00 51.96 51.17 3lme s ALA 94 Cb 0.00 -1.77 -0.02 0.00 0.00 0.00 0.00 23.12 21.33 3lme s ALA 94 CO 0.00 0.79 0.23 0.95 0.00 0.00 0.00 175.76 177.74 3lme s THR 95 N -1.43 2.00 0.65 0.00 -4.23 -1.26 -2.02 115.64 109.34 3lme s THR 95 Ca 0.32 -1.65 0.36 0.00 -1.18 0.00 0.00 61.69 59.53 3lme s THR 95 Cb -0.13 -2.66 0.38 0.00 1.34 0.00 0.00 72.50 71.43 3lme s THR 95 CO 0.24 0.00 2.15 0.07 -0.54 0.00 0.00 174.62 176.55 3lme h LYS 96 N 1.20 0.00 -0.00 3.99 2.10 -1.99 -1.19 116.57 120.68 3lme h LYS 96 Ca -0.41 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.24 3lme h LYS 96 Cb 1.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.61 3lme h LYS 96 CO 0.66 0.00 -0.20 0.00 -2.00 0.00 0.00 179.45 177.91 3lme n ALA 97 N -2.07 2.93 0.48 0.07 0.00 -1.26 -3.48 120.51 117.18 3lme n ALA 97 Ca -0.02 -0.31 0.11 0.00 0.00 0.00 0.00 53.44 53.22 3lme n ALA 97 Cb 0.24 -1.25 0.27 0.00 0.00 0.00 0.00 19.45 18.70 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 -0.98 2.90 -4.67 0.00 8.00 -0.45 -4.97 116.55 116.38 3lme n ASP 98 Ca 0.12 -1.93 -0.43 0.00 0.71 0.00 0.00 54.79 53.26 3lme n ASP 98 Cb 0.31 -0.26 -0.02 0.00 -0.02 0.00 0.00 41.12 41.12 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 -1.47 3.61 -0.16 2.24 0.00 -1.23 -0.49 121.76 124.26 3lme s ALA 99 Ca 0.37 0.64 0.20 0.00 0.00 0.00 0.00 51.96 53.17 3lme s ALA 99 Cb 0.21 -3.61 -0.30 0.00 0.00 0.00 0.00 23.12 19.42 3lme s ALA 99 CO 0.28 -1.07 0.50 1.33 0.00 0.00 0.00 175.76 176.81 3lme n VAL 100 N 5.09 0.00 -3.66 0.00 0.24 0.70 -4.65 118.33 116.06 3lme n VAL 100 Ca 0.14 -0.40 -0.11 0.00 -2.04 0.00 0.00 64.34 61.92 3lme n VAL 100 Cb 0.45 0.18 -0.08 0.00 -1.47 0.00 0.00 33.84 32.92 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 -3.33 0.68 -0.13 7.34 3.52 -1.09 -4.30 118.95 121.64 3lme s ARG 101 Ca -0.05 0.96 0.02 0.00 -0.13 0.00 0.00 55.73 56.53 3lme s ARG 101 Cb 0.13 0.25 0.01 0.00 -1.56 0.00 0.00 34.95 33.78 3lme s ARG 101 CO 0.84 -0.11 -0.19 -0.51 -0.81 0.00 0.00 175.30 174.51 3lme s LEU 102 N 0.85 1.93 -0.34 -0.88 1.43 -0.68 -1.78 118.68 119.20 3lme s LEU 102 Ca -0.04 -0.53 -0.02 0.00 -1.03 0.00 0.00 54.13 52.51 3lme s LEU 102 Cb -0.05 -1.29 0.07 0.00 0.03 0.00 0.00 46.19 44.95 3lme s LEU 102 CO -0.07 0.04 0.08 -0.89 0.23 0.00 0.00 176.35 175.74 3lme s THR 103 N 0.95 3.10 -0.27 5.49 2.01 -0.14 -1.07 115.64 125.70 3lme s THR 103 Ca -0.06 -1.66 -0.14 0.00 0.31 0.00 0.00 61.69 60.15 3lme s THR 103 Cb -0.15 -2.93 -0.04 0.00 0.01 0.00 0.00 72.50 69.39 3lme s THR 103 CO -0.03 -0.34 0.34 -0.69 -0.69 0.00 0.00 174.62 173.21 3lme s VAL 104 N 1.20 5.20 -0.23 3.82 1.01 0.11 -1.29 120.40 130.23 3lme s VAL 104 Ca 0.01 0.48 -0.09 0.00 0.00 0.00 0.00 61.98 62.37 3lme s VAL 104 Cb -0.21 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.46 3lme s VAL 104 CO -0.02 0.16 0.12 -0.36 0.00 0.00 0.00 175.10 175.00 3lme s PHE 105 N 2.01 3.25 0.40 5.22 0.08 0.06 -1.28 117.98 127.72 3lme s PHE 105 Ca 0.13 0.07 0.03 0.00 0.12 0.00 0.00 56.93 57.29 3lme s PHE 105 Cb -0.16 -2.23 -0.03 0.00 -0.57 0.00 0.00 43.02 40.03 3lme s PHE 105 CO 0.10 -0.00 0.09 0.14 -0.10 0.00 0.00 175.22 175.45 3lme s VAL 106 N 1.04 0.83 -0.03 -0.44 -7.23 -0.52 -0.40 120.40 113.65 3lme s VAL 106 Ca 0.06 -2.00 0.20 0.00 -1.81 0.00 0.00 61.98 58.43 3lme s VAL 106 Cb -0.14 -2.44 -0.30 0.00 0.56 0.00 0.00 36.38 34.06 3lme s VAL 106 CO 0.04 0.00 0.42 0.41 -0.31 0.00 0.00 175.10 175.66 3lme n THR 107 N -0.90 0.02 -3.29 5.32 -1.04 -0.92 -0.68 114.28 112.79 3lme n THR 107 Ca -0.07 -0.45 -0.09 0.00 -2.04 0.00 0.00 64.05 61.40 3lme n THR 107 Cb 0.66 0.05 -0.05 0.00 -1.82 0.00 0.00 70.33 69.16 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 -4.26 -0.02 0.22 8.00 -1.08 -1.26 -4.66 116.67 113.60 3lme s ASP 108 Ca -0.07 -1.21 -0.08 0.00 -0.52 0.00 0.00 52.55 50.67 3lme s ASP 108 Cb 0.12 1.18 0.29 0.00 -1.46 0.00 0.00 42.92 43.06 3lme s ASP 108 CO 0.81 -0.22 1.79 1.62 0.52 0.00 0.00 175.17 179.68 3lme h VAL 109 N 5.05 0.89 -0.96 1.11 3.04 -1.90 -0.28 116.25 123.21 3lme h VAL 109 Ca 0.05 -0.21 0.16 0.00 -1.01 0.00 0.00 66.70 65.68 3lme h VAL 109 Cb 1.11 0.21 -0.08 0.00 -2.01 0.00 0.00 31.29 30.52 3lme h VAL 109 CO 0.16 0.11 0.60 0.00 -1.01 0.00 0.00 177.57 177.44 3lme h ALA 110 N 1.40 1.76 0.15 3.17 0.00 -2.01 -1.75 119.26 121.97 3lme h ALA 110 Ca 0.33 0.04 -0.28 0.00 0.00 0.00 0.00 54.91 54.99 3lme h ALA 110 Cb 0.30 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.97 3lme h ALA 110 CO -0.24 -0.04 -1.38 -0.22 0.00 0.00 0.00 179.25 177.37 3lme h LYS 111 N 0.76 0.32 0.00 0.00 3.64 -1.57 -3.41 116.57 116.30 3lme h LYS 111 Ca 0.50 -0.54 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3lme h LYS 111 Cb 0.77 0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.79 3lme h LYS 111 CO -0.27 1.26 -1.51 0.66 -2.27 0.00 0.00 179.45 177.32 3lme n TYR 112 N -3.87 0.01 -0.15 1.91 4.01 -0.27 -4.31 117.16 114.48 3lme n TYR 112 Ca -0.22 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.48 3lme n TYR 112 Cb 0.94 -0.26 0.05 0.00 -0.31 0.00 0.00 39.34 39.76 3lme n TYR 112 CO 0.00 0.00 0.00 -0.09 -0.46 0.00 0.00 176.86 176.31 3lme h ARG 113 N 0.00 0.39 0.00 -0.72 2.43 -1.52 0.94 114.38 115.91 3lme h ARG 113 Ca 0.00 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 3lme h ARG 113 Cb 0.76 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.22 3lme h ARG 113 CO 0.00 0.26 -0.11 -1.00 -1.51 0.00 0.00 179.97 177.61 3lme h PRO 114 N 0.41 0.00 0.00 0.20 0.13 -1.81 -0.13 132.00 130.80 3lme h PRO 114 Ca 0.22 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.35 3lme h PRO 114 Cb 0.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.31 3lme h PRO 114 CO -0.19 0.11 -0.00 0.28 -0.23 0.00 0.00 178.00 177.96 3lme h VAL 115 N 0.00 1.50 -0.80 1.56 2.07 -1.34 -0.64 116.25 118.59 3lme h VAL 115 Ca -0.00 -1.50 0.14 0.00 0.82 0.00 0.00 66.70 66.16 3lme h VAL 115 Cb 0.22 2.51 -0.09 0.00 -1.52 0.00 0.00 31.29 32.41 3lme h VAL 115 CO 0.01 0.39 0.38 0.58 0.02 0.00 0.00 177.57 178.95 3lme h VAL 116 N -0.65 0.71 0.24 2.57 2.07 -0.59 0.27 116.25 120.87 3lme h VAL 116 Ca -0.00 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 67.34 3lme h VAL 116 Cb 0.64 0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 3lme h VAL 116 CO 0.00 0.10 -0.32 0.78 0.02 0.00 0.00 177.57 178.16 3lme h ASN 117 N 0.56 -0.88 -0.59 0.57 2.35 -0.95 -0.55 115.58 116.09 3lme h ASN 117 Ca 0.44 0.09 0.05 0.00 -0.55 0.00 0.00 56.30 56.33 3lme h ASN 117 Cb 0.62 0.31 -0.05 0.00 0.05 0.00 0.00 38.32 39.25 3lme h ASN 117 CO -0.37 -0.43 0.31 0.50 -1.65 0.00 0.00 177.43 175.79 3lme h LYS 118 N -0.61 0.56 -0.46 0.81 1.63 0.33 0.42 116.57 119.25 3lme h LYS 118 Ca 0.00 -0.03 -0.08 0.00 -0.85 0.00 0.00 60.65 59.69 3lme h LYS 118 Cb 0.59 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 32.07 3lme h LYS 118 CO -0.11 0.37 -0.05 0.28 -3.45 0.00 0.00 179.45 176.49 3lme h VAL 119 N 0.58 1.25 -0.30 2.00 2.07 -0.38 -1.89 116.25 119.57 3lme h VAL 119 Ca 0.26 -1.07 -0.12 0.00 0.82 0.00 0.00 66.70 66.58 3lme h VAL 119 Cb 0.17 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 3lme h VAL 119 CO -0.18 0.37 -0.33 1.56 0.02 0.00 0.00 177.57 179.02 3lme h GLN 120 N 0.72 0.65 -0.61 1.57 4.20 -0.26 -2.09 115.11 119.29 3lme h GLN 120 Ca 0.13 -0.30 0.04 0.00 0.06 0.00 0.00 58.65 58.58 3lme h GLN 120 Cb 0.51 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.24 3lme h GLN 120 CO 0.03 0.89 0.41 0.87 -0.67 0.00 0.00 178.83 180.35 3lme h LYS 121 N 0.55 0.68 -0.25 1.46 1.57 -0.52 0.11 116.57 120.17 3lme h LYS 121 Ca 0.06 -0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 58.70 3lme h LYS 121 Cb 0.83 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.97 3lme h LYS 121 CO 0.07 0.45 -0.27 -0.44 -0.57 0.00 0.00 179.45 178.68 3lme h ASP 122 N 0.70 0.50 0.04 0.86 3.32 -0.71 -1.63 116.42 119.49 3lme h ASP 122 Ca 0.25 -0.18 -0.30 0.00 0.02 0.00 0.00 57.03 56.82 3lme h ASP 122 Cb 0.12 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.50 3lme h ASP 122 CO -0.07 0.76 -1.66 -0.38 -1.72 0.00 0.00 179.24 176.18 3lme n ILE 123 N -4.11 1.60 1.12 0.35 5.41 -0.87 -4.39 119.36 118.48 3lme n ILE 123 Ca -0.01 -0.26 0.12 0.00 1.00 0.00 0.00 62.75 63.60 3lme n ILE 123 Cb 0.42 -1.91 0.18 0.00 -0.71 0.00 0.00 39.64 37.62 3lme n ILE 123 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 176.55 177.34 3lme n TRP 124 N -4.10 0.00 -1.65 1.39 8.01 0.32 -5.04 117.44 116.38 3lme n TRP 124 Ca -0.35 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 55.84 3lme n TRP 124 Cb 0.82 -0.07 0.00 0.00 -2.01 0.00 0.00 31.31 30.05 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 1.39 2.72 0.58 6.99 0.00 -0.61 -1.64 105.19 114.62 3lme n GLY 125 Ca 0.10 -0.32 0.07 0.00 0.00 0.00 0.00 46.02 45.87 3lme n GLY 125 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3lme n ASP 126 N 4.14 1.70 0.00 1.61 5.75 -1.26 -4.58 116.55 123.90 3lme n ASP 126 Ca 0.00 -1.92 0.00 0.00 -0.01 0.00 0.00 54.79 52.86 3lme n ASP 126 Cb 0.00 -0.19 0.00 0.00 -1.03 0.00 0.00 41.12 39.90 3lme n ASP 126 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3lme n GLY 127 N 1.04 -0.22 3.79 6.12 0.00 -0.65 -4.86 105.19 110.41 3lme n GLY 127 Ca 0.12 -2.23 -0.34 0.00 0.00 0.00 0.00 46.02 43.57 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 0.00 3.45 0.05 1.61 0.04 -1.26 -5.04 135.00 133.85 3lme s PRO 128 Ca 0.00 1.43 -0.00 0.00 0.04 0.00 0.00 61.00 62.46 3lme s PRO 128 Cb 0.00 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.46 3lme s PRO 128 CO 0.00 -0.74 0.19 0.71 0.04 0.00 0.00 177.00 177.21 3lme s TYR 129 N -2.03 3.49 0.67 0.56 2.02 -1.26 -5.05 117.35 115.75 3lme s TYR 129 Ca 0.69 0.25 -0.13 0.00 -0.37 0.00 0.00 57.07 57.50 3lme s TYR 129 Cb -0.19 -1.76 -0.00 0.00 -0.40 0.00 0.00 41.96 39.61 3lme s TYR 129 CO 0.28 0.59 1.07 -1.25 -1.57 0.00 0.00 175.55 174.67 3lme s PRO 130 N -2.40 2.93 0.47 -1.71 0.05 -1.26 -5.00 135.00 128.08 3lme s PRO 130 Ca 0.33 1.16 -0.24 0.00 0.05 0.00 0.00 61.00 62.29 3lme s PRO 130 Cb -0.13 -1.98 -0.07 0.00 0.05 0.00 0.00 34.50 32.37 3lme s PRO 130 CO 0.26 -1.12 1.40 -2.14 0.05 0.00 0.00 177.00 175.46 3lme s PRO 131 N -4.51 3.55 -0.09 0.56 0.02 -1.26 -4.90 135.00 128.37 3lme s PRO 131 Ca 0.62 2.36 -0.15 0.00 0.02 0.00 0.00 61.00 63.85 3lme s PRO 131 Cb -0.16 -2.55 0.03 0.00 0.02 0.00 0.00 34.50 31.84 3lme s PRO 131 CO 0.46 -0.91 0.38 0.50 -0.33 0.00 0.00 177.00 177.10 3lme s ARG 132 N -2.57 0.57 -0.05 5.54 3.52 -1.26 -1.69 118.95 123.01 3lme s ARG 132 Ca 0.64 0.24 0.00 0.00 -0.13 0.00 0.00 55.73 56.48 3lme s ARG 132 Cb -0.43 0.27 0.02 0.00 -1.56 0.00 0.00 34.95 33.25 3lme s ARG 132 CO 0.54 -0.12 -0.03 -0.08 -0.81 0.00 0.00 175.30 174.80 3lme s THR 133 N -0.47 0.46 -0.28 4.11 -1.32 -0.23 -4.97 115.64 112.95 3lme s THR 133 Ca -0.06 -0.05 -0.02 0.00 -1.21 0.00 0.00 61.69 60.35 3lme s THR 133 Cb -0.04 -0.53 0.03 0.00 -1.51 0.00 0.00 72.50 70.46 3lme s THR 133 CO 0.03 0.23 -0.02 -0.69 -2.21 0.00 0.00 174.62 171.95 3lme s VAL 134 N 1.17 3.06 0.13 5.08 1.01 -1.26 -0.71 120.40 128.89 3lme s VAL 134 Ca -0.07 -1.13 0.11 0.00 0.00 0.00 0.00 61.98 60.89 3lme s VAL 134 Cb -0.14 -2.64 -0.04 0.00 0.00 0.00 0.00 36.38 33.56 3lme s VAL 134 CO -0.01 0.06 -0.25 -0.76 0.00 0.00 0.00 175.10 174.14 3lme s LEU 135 N 1.32 2.41 0.36 3.92 1.43 -0.40 -5.01 118.68 122.70 3lme s LEU 135 Ca -0.02 -0.72 -0.17 0.00 -1.03 0.00 0.00 54.13 52.19 3lme s LEU 135 Cb -0.18 -1.28 -0.10 0.00 0.03 0.00 0.00 46.19 44.67 3lme s LEU 135 CO -0.02 0.17 0.81 -1.58 0.23 0.00 0.00 176.35 175.96 3lme s GLN 136 N -2.14 4.08 0.04 1.70 0.74 -1.26 -1.44 119.66 121.38 3lme s GLN 136 Ca 0.15 0.83 -0.14 0.00 0.05 0.00 0.00 55.36 56.25 3lme s GLN 136 Cb -0.10 -2.34 0.02 0.00 1.10 0.00 0.00 33.01 31.69 3lme s GLN 136 CO 0.07 0.08 0.32 0.54 -0.55 0.00 0.00 175.29 175.76 3lme s VAL 137 N -2.07 0.08 -0.01 1.34 0.11 0.15 -4.88 120.40 115.12 3lme s VAL 137 Ca 0.57 -0.63 -0.15 0.00 -2.93 0.00 0.00 61.98 58.84 3lme s VAL 137 Cb -0.10 -0.92 -0.34 0.00 -1.53 0.00 0.00 36.38 33.49 3lme s VAL 137 CO 0.16 -0.35 0.87 -0.65 -3.33 0.00 0.00 175.10 171.80 3lme h PRO 138 N 3.22 0.47 -4.30 1.54 0.11 -1.91 -3.40 132.00 127.74 3lme h PRO 138 Ca -0.32 -0.81 -0.23 0.00 0.11 0.00 0.00 66.00 64.76 3lme h PRO 138 Cb 1.20 0.30 -0.21 0.00 0.11 0.00 0.00 31.00 32.40 3lme h PRO 138 CO 0.45 1.39 -0.72 0.00 -0.21 0.00 0.00 178.00 178.91 3lme s ALA 139 N -2.58 0.37 0.30 -0.75 0.00 -1.26 -4.99 121.76 112.85 3lme s ALA 139 Ca -0.12 -0.66 0.06 0.00 0.00 0.00 0.00 51.96 51.24 3lme s ALA 139 Cb 0.04 0.08 -0.06 0.00 0.00 0.00 0.00 23.12 23.19 3lme s ALA 139 CO 0.90 -0.08 -0.03 -0.51 0.00 0.00 0.00 175.76 176.05 3lme s LEU 140 N -1.46 2.46 -0.28 0.00 1.43 -1.26 -5.04 118.68 114.53 3lme s LEU 140 Ca -0.12 -1.25 -0.25 0.00 -1.03 0.00 0.00 54.13 51.48 3lme s LEU 140 Cb -0.10 -0.61 -0.11 0.00 0.03 0.00 0.00 46.19 45.40 3lme s LEU 140 CO -0.00 -0.41 0.98 0.47 0.23 0.00 0.00 176.35 177.62 3lme n ASP 141 N -0.65 0.59 0.00 2.29 9.92 -1.26 -2.08 116.55 125.36 3lme n ASP 141 Ca -0.05 0.57 0.00 0.00 -0.53 0.00 0.00 54.79 54.78 3lme n ASP 141 Cb 0.64 -0.49 0.00 0.00 -0.64 0.00 0.00 41.12 40.64 3lme n ASP 141 CO 0.00 0.00 0.00 1.67 0.13 0.00 0.00 177.20 179.00 3lme n GLN 142 N 2.81 0.00 -0.58 -1.24 7.27 -1.26 -2.11 117.38 122.27 3lme n GLN 142 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.28 3lme n GLN 142 Cb -0.03 -3.22 0.00 0.00 2.41 0.00 0.00 30.24 29.40 3lme n GLN 142 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3lme n GLY 143 N -2.00 0.69 3.63 1.69 0.00 -0.88 -5.06 105.19 103.25 3lme n GLY 143 Ca 0.00 -0.21 -0.30 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.19 2.47 0.01 1.61 -1.08 -0.89 -4.90 116.67 111.69 3lme s ASP 144 Ca 0.00 1.92 0.25 0.00 -0.52 0.00 0.00 52.55 54.20 3lme s ASP 144 Cb 0.00 -2.46 0.43 0.00 -1.46 0.00 0.00 42.92 39.43 3lme s ASP 144 CO 0.00 -3.34 1.36 2.30 0.52 0.00 0.00 175.17 176.01 3lme n ILE 145 N -4.38 0.03 -3.64 4.11 -5.35 -1.26 -4.48 119.36 104.41 3lme n ILE 145 Ca 0.09 -0.03 -0.10 0.00 -0.27 0.00 0.00 62.75 62.43 3lme n ILE 145 Cb 0.53 0.26 -0.07 0.00 -1.74 0.00 0.00 39.64 38.62 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 -3.02 -1.92 0.03 -1.28 0.00 -1.26 -2.17 121.76 112.14 3lme s ALA 146 Ca 0.10 2.00 0.01 0.00 0.00 0.00 0.00 51.96 54.07 3lme s ALA 146 Cb 0.17 -1.36 -0.02 0.00 0.00 0.00 0.00 23.12 21.91 3lme s ALA 146 CO 0.71 -0.29 -0.05 -2.00 0.00 0.00 0.00 175.76 174.13 3lme s GLU 147 N 0.47 0.41 0.02 0.00 2.12 0.46 -4.45 118.70 117.75 3lme s GLU 147 Ca 0.00 -0.61 0.03 0.00 0.36 0.00 0.00 54.97 54.75 3lme s GLU 147 Cb -0.05 -0.15 -0.02 0.00 0.26 0.00 0.00 34.13 34.17 3lme s GLU 147 CO -0.05 0.02 -0.10 -1.50 -0.54 0.00 0.00 175.26 173.08 3lme s ILE 148 N -1.21 0.81 -0.18 -3.70 2.07 -0.55 -0.76 121.20 117.68 3lme s ILE 148 Ca -0.10 -0.75 -0.01 0.00 -1.41 0.00 0.00 60.65 58.37 3lme s ILE 148 Cb -0.09 -0.74 -0.00 0.00 0.13 0.00 0.00 42.46 41.76 3lme s ILE 148 CO -0.00 -0.00 -0.12 -1.81 -1.91 0.00 0.00 174.94 171.10 3lme s ASP 149 N -0.85 3.84 -0.03 4.50 1.01 -0.41 -1.73 116.67 123.00 3lme s ASP 149 Ca -0.00 -0.45 0.06 0.00 0.71 0.00 0.00 52.55 52.87 3lme s ASP 149 Cb -0.06 -1.61 -0.01 0.00 1.01 0.00 0.00 42.92 42.24 3lme s ASP 149 CO 0.00 0.05 -0.22 -0.83 0.21 0.00 0.00 175.17 174.38 3lme s GLY 150 N 1.03 1.13 -0.06 0.21 0.00 -1.24 -0.97 107.32 107.42 3lme s GLY 150 Ca -0.01 -0.95 0.02 0.00 0.00 0.00 0.00 44.72 43.78 3lme s GLY 150 CO -0.02 -0.68 -0.11 -1.59 0.00 0.00 0.00 173.10 170.69 3lme s THR 151 N -0.32 1.05 0.10 0.90 2.01 -0.73 -0.85 115.64 117.79 3lme s THR 151 Ca 0.03 -0.42 0.08 0.00 0.31 0.00 0.00 61.69 61.69 3lme s THR 151 Cb -0.11 -0.97 -0.03 0.00 0.01 0.00 0.00 72.50 71.39 3lme s THR 151 CO 0.01 0.34 -0.21 -0.36 -0.69 0.00 0.00 174.62 173.71 3lme s PHE 152 N 0.75 1.76 -0.26 4.92 0.40 0.87 -0.22 117.98 126.20 3lme s PHE 152 Ca -0.13 -0.42 -0.01 0.00 -0.60 0.00 0.00 56.93 55.77 3lme s PHE 152 Cb -0.15 -0.96 0.04 0.00 0.51 0.00 0.00 43.02 42.45 3lme s PHE 152 CO 0.03 0.20 -0.05 -0.47 0.70 0.00 0.00 175.22 175.62 3lme s TYR 153 N -1.17 3.13 -0.40 0.36 5.04 0.36 -0.21 117.35 124.46 3lme s TYR 153 Ca 0.06 -1.71 0.07 0.00 -2.44 0.00 0.00 57.07 53.05 3lme s TYR 153 Cb -0.10 -2.06 0.22 0.00 0.35 0.00 0.00 41.96 40.37 3lme s TYR 153 CO 0.04 -0.76 0.46 0.00 -1.34 0.00 0.00 175.55 173.95 3lme n ALA 154 N 4.64 2.61 -1.57 3.97 0.00 0.18 -4.68 120.51 125.67 3lme n ALA 154 Ca -0.15 -3.32 -0.41 0.00 0.00 0.00 0.00 53.44 49.55 3lme n ALA 154 Cb 0.46 -0.79 0.01 0.00 0.00 0.00 0.00 19.45 19.13 3lme n ALA 154 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3lme n PRO 155 N 1.91 1.10 0.00 0.00 -0.02 -1.25 -4.84 135.00 131.90 3lme n PRO 155 Ca 0.24 0.40 0.14 0.00 -2.02 0.00 0.00 63.50 62.26 3lme n PRO 155 Cb 0.51 -1.89 0.51 0.00 -0.02 0.00 0.00 33.50 32.61 3lme n PRO 155 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48