#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 3.82 -0.17 -3.43 0.05 -1.26 -4.63 118.68 113.05 3lme s LEU 29 Ca 0.00 2.28 0.01 0.00 0.05 0.00 0.00 54.13 56.47 3lme s LEU 29 Cb 0.00 -4.47 0.01 0.00 -2.05 0.00 0.00 46.19 39.68 3lme s LEU 29 CO 0.00 -1.22 -0.19 -0.75 -0.55 0.00 0.00 176.35 173.64 3lme s LYS 30 N -3.10 3.04 0.27 1.48 2.20 -0.48 -4.99 119.74 118.16 3lme s LYS 30 Ca 0.71 -0.81 -0.30 0.00 -0.36 0.00 0.00 55.97 55.21 3lme s LYS 30 Cb -0.27 -2.58 -0.11 0.00 -1.51 0.00 0.00 37.83 33.36 3lme s LYS 30 CO 0.31 -0.15 1.51 0.42 -0.36 0.00 0.00 175.35 177.08 3lme s ILE 31 N 1.17 2.38 -0.12 5.43 -1.09 -1.26 -0.70 121.20 127.01 3lme s ILE 31 Ca 0.02 0.32 -0.29 0.00 -2.23 0.00 0.00 60.65 58.46 3lme s ILE 31 Cb -0.14 -3.20 -0.04 0.00 -1.58 0.00 0.00 42.46 37.50 3lme s ILE 31 CO -0.09 0.05 1.62 -0.63 -1.23 0.00 0.00 174.94 174.66 3lme s ILE 32 N -0.07 3.67 0.14 2.92 1.01 0.88 -4.88 121.20 124.87 3lme s ILE 32 Ca 0.61 0.79 -0.30 0.00 0.00 0.00 0.00 60.65 61.74 3lme s ILE 32 Cb -0.45 -3.57 -0.08 0.00 0.01 0.00 0.00 42.46 38.38 3lme s ILE 32 CO 0.46 -0.14 1.27 0.00 0.00 0.00 0.00 174.94 176.53 3lme s ALA 33 N 4.46 3.48 0.74 9.38 0.00 -1.26 -4.52 121.76 134.04 3lme s ALA 33 Ca 0.72 1.00 -0.16 0.00 0.00 0.00 0.00 51.96 53.51 3lme s ALA 33 Cb -0.30 -3.47 -0.05 0.00 0.00 0.00 0.00 23.12 19.31 3lme s ALA 33 CO 0.28 -0.48 0.42 -2.30 0.00 0.00 0.00 175.76 173.67 3lme n PRO 34 N 3.26 0.23 -3.72 0.00 -0.02 -1.26 -5.03 135.00 128.46 3lme n PRO 34 Ca 0.08 0.11 -0.10 0.00 -2.02 0.00 0.00 63.50 61.57 3lme n PRO 34 Cb 0.44 -1.74 -0.05 0.00 -0.02 0.00 0.00 33.50 32.13 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 -1.95 0.09 -1.59 3.45 2.01 -1.26 -5.02 115.64 111.37 3lme s THR 35 Ca 0.63 -0.81 0.14 0.00 0.31 0.00 0.00 61.69 61.96 3lme s THR 35 Cb -0.34 -1.26 0.29 0.00 0.01 0.00 0.00 72.50 71.19 3lme s THR 35 CO 0.60 -0.42 1.34 -0.90 -0.69 0.00 0.00 174.62 174.55 3lme n ASP 36 N -0.17 0.00 -0.71 3.53 3.85 -1.26 -0.73 116.55 121.05 3lme n ASP 36 Ca -0.15 -0.06 0.11 0.00 -0.71 0.00 0.00 54.79 53.97 3lme n ASP 36 Cb 0.63 -0.20 0.06 0.00 -1.35 0.00 0.00 41.12 40.25 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 -1.20 1.77 -4.35 0.11 5.02 -1.26 -5.03 118.16 113.23 3lme n LYS 37 Ca 0.08 -1.48 -0.25 0.00 -2.02 0.00 0.00 58.31 54.64 3lme n LYS 37 Cb 0.09 -1.41 -0.09 0.00 -0.02 0.00 0.00 35.03 33.60 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 -1.98 2.99 0.38 -0.18 2.01 0.09 -4.79 115.64 114.17 3lme s THR 38 Ca 0.22 -1.92 -0.27 0.00 0.31 0.00 0.00 61.69 60.03 3lme s THR 38 Cb 0.17 -2.53 -0.11 0.00 0.01 0.00 0.00 72.50 70.05 3lme s THR 38 CO 0.36 -0.23 1.31 -0.38 -0.69 0.00 0.00 174.62 174.98 3lme n ILE 39 N -0.29 2.25 -3.62 1.82 2.08 -1.26 -4.66 119.36 115.68 3lme n ILE 39 Ca -0.09 -0.50 -0.40 0.00 0.56 0.00 0.00 62.75 62.32 3lme n ILE 39 Cb 0.57 -1.62 -0.11 0.00 -0.75 0.00 0.00 39.64 37.73 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 -1.14 4.61 0.64 1.39 2.01 -1.26 -4.68 115.64 117.20 3lme s THR 40 Ca 0.58 -0.68 -0.17 0.00 0.31 0.00 0.00 61.69 61.72 3lme s THR 40 Cb -0.53 -3.48 -0.04 0.00 0.01 0.00 0.00 72.50 68.45 3lme s THR 40 CO 0.61 -0.12 0.83 -0.81 -0.69 0.00 0.00 174.62 174.44 3lme n PRO 41 N 5.00 0.66 -2.70 4.92 -0.04 -1.26 -4.96 135.00 136.62 3lme n PRO 41 Ca -0.13 0.27 -0.06 0.00 -0.04 0.00 0.00 63.50 63.54 3lme n PRO 41 Cb 0.47 -2.05 0.08 0.00 -0.04 0.00 0.00 33.50 31.96 3lme n PRO 41 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3lme n SER 42 N -0.69 -0.05 0.00 3.54 3.41 -1.26 -5.10 113.62 113.47 3lme n SER 42 Ca 0.13 -2.48 0.00 0.00 -0.26 0.00 0.00 58.87 56.26 3lme n SER 42 Cb 0.48 0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.59 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 -0.48 -0.87 2.22 5.00 0.00 -1.26 -5.02 105.19 104.78 3lme n GLY 43 Ca 0.02 -0.93 -0.20 0.00 0.00 0.00 0.00 46.02 44.91 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 4.59 3.28 -3.80 2.61 -2.24 -1.26 -4.84 114.28 112.62 3lme n THR 44 Ca 0.00 -2.22 -0.10 0.00 -2.27 0.00 0.00 64.05 59.47 3lme n THR 44 Cb 0.00 -1.89 -0.05 0.00 -2.10 0.00 0.00 70.33 66.29 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 -0.01 0.04 0.24 4.78 1.48 -1.26 -5.18 118.94 119.04 3lme s TRP 45 Ca 0.64 -0.39 0.12 0.00 -1.06 0.00 0.00 56.10 55.40 3lme s TRP 45 Cb 0.33 0.21 -0.05 0.00 -1.16 0.00 0.00 33.47 32.80 3lme s TRP 45 CO -0.09 -0.80 -0.21 0.45 -4.06 0.00 0.00 176.95 172.24 3lme s SER 46 N -2.89 3.55 0.36 -2.66 0.15 -1.26 -4.76 113.70 106.19 3lme s SER 46 Ca 0.10 -0.95 0.14 0.00 0.70 0.00 0.00 55.95 55.95 3lme s SER 46 Cb 0.01 -0.30 0.68 0.00 -1.71 0.00 0.00 66.02 64.71 3lme s SER 46 CO -0.04 0.07 1.78 0.16 1.20 0.00 0.00 173.24 176.42 3lme h ILE 47 N 2.65 1.19 0.00 6.45 3.07 -1.93 -3.41 117.51 125.54 3lme h ILE 47 Ca -0.43 -1.46 0.00 0.00 1.55 0.00 0.00 64.86 64.53 3lme h ILE 47 Cb 1.24 1.81 0.00 0.00 -0.27 0.00 0.00 36.82 39.60 3lme h ILE 47 CO 0.55 0.40 0.00 0.61 -1.05 0.00 0.00 178.15 178.66 3lme n GLY 48 N -0.20 -0.62 2.91 0.16 0.00 -1.26 -1.22 105.19 104.95 3lme n GLY 48 Ca -0.01 -1.06 -0.15 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.00 0.32 -0.23 4.61 0.00 0.13 -0.08 121.76 124.50 3lme s ALA 49 Ca 0.00 -0.09 -0.16 0.00 0.00 0.00 0.00 51.96 51.71 3lme s ALA 49 Cb 0.00 -0.13 -0.04 0.00 0.00 0.00 0.00 23.12 22.95 3lme s ALA 49 CO 0.00 0.05 0.40 0.50 0.00 0.00 0.00 175.76 176.71 3lme s ARG 50 N 0.15 4.10 -0.31 0.00 3.52 0.12 -0.73 118.95 125.81 3lme s ARG 50 Ca -0.01 0.16 0.01 0.00 -0.13 0.00 0.00 55.73 55.76 3lme s ARG 50 Cb -0.04 -3.59 0.09 0.00 -1.56 0.00 0.00 34.95 29.85 3lme s ARG 50 CO -0.00 -0.16 0.05 0.00 -0.81 0.00 0.00 175.30 174.38 3lme s ALA 51 N 1.71 2.07 0.00 6.12 0.00 0.15 -1.38 121.76 130.43 3lme s ALA 51 Ca 0.18 -1.90 0.00 0.00 0.00 0.00 0.00 51.96 50.24 3lme s ALA 51 Cb -0.15 -1.70 0.00 0.00 0.00 0.00 0.00 23.12 21.27 3lme s ALA 51 CO 0.09 -1.58 0.00 0.41 0.00 0.00 0.00 175.76 174.67 3lme n GLY 52 N 4.61 2.79 0.01 0.00 0.00 -1.26 -0.51 105.19 110.84 3lme n GLY 52 Ca -0.02 0.31 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 8.92 0.42 -4.93 1.61 8.00 -1.26 -4.94 116.55 124.36 3lme n ASP 53 Ca 0.00 0.03 -0.26 0.00 0.71 0.00 0.00 54.79 55.27 3lme n ASP 53 Cb 0.00 0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.08 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 -3.03 3.48 -0.14 1.24 0.08 0.34 -0.90 117.98 119.06 3lme s PHE 54 Ca 0.11 0.29 0.00 0.00 0.12 0.00 0.00 56.93 57.45 3lme s PHE 54 Cb 0.17 -1.81 0.02 0.00 -0.57 0.00 0.00 43.02 40.83 3lme s PHE 54 CO 0.66 0.37 -0.12 0.08 -0.10 0.00 0.00 175.22 176.10 3lme s VAL 55 N -1.92 1.41 -0.23 -0.44 1.01 -0.00 -0.68 120.40 119.55 3lme s VAL 55 Ca 0.38 -0.53 -0.05 0.00 0.00 0.00 0.00 61.98 61.78 3lme s VAL 55 Cb -0.11 -1.34 -0.02 0.00 0.00 0.00 0.00 36.38 34.91 3lme s VAL 55 CO 0.30 0.43 0.00 -0.36 0.00 0.00 0.00 175.10 175.47 3lme s PHE 56 N 1.54 3.01 -0.13 5.22 0.08 0.09 0.07 117.98 127.85 3lme s PHE 56 Ca 0.05 -0.67 -0.08 0.00 0.12 0.00 0.00 56.93 56.35 3lme s PHE 56 Cb -0.13 -2.14 -0.04 0.00 -0.57 0.00 0.00 43.02 40.14 3lme s PHE 56 CO -0.10 -0.42 0.14 0.42 -0.10 0.00 0.00 175.22 175.16 3lme s ILE 57 N 1.42 5.48 0.90 0.64 -1.09 -0.11 -0.70 121.20 127.75 3lme s ILE 57 Ca 0.05 0.22 -0.12 0.00 -2.23 0.00 0.00 60.65 58.57 3lme s ILE 57 Cb -0.15 -3.42 0.13 0.00 -1.58 0.00 0.00 42.46 37.44 3lme s ILE 57 CO 0.00 0.58 1.09 -0.83 -1.23 0.00 0.00 174.94 174.56 3lme s GLY 58 N -0.75 1.62 0.32 6.18 0.00 -0.36 -3.88 107.32 110.45 3lme s GLY 58 Ca 0.14 -0.07 -0.26 0.00 0.00 0.00 0.00 44.72 44.53 3lme s GLY 58 CO 0.03 0.42 0.69 0.61 0.00 0.00 0.00 173.10 174.84 3lme n GLY 59 N -1.14 -1.17 2.97 0.20 0.00 -1.26 -4.73 105.19 100.05 3lme n GLY 59 Ca 0.07 0.22 -0.10 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.40 0.27 0.23 1.61 1.00 -0.83 -4.92 119.30 115.26 3lme s MET 60 Ca 0.62 -0.48 0.05 0.00 0.00 0.00 0.00 55.69 55.88 3lme s MET 60 Cb -0.72 0.02 -0.02 0.00 0.00 0.00 0.00 34.83 34.11 3lme s MET 60 CO 0.58 -0.02 0.19 -2.39 0.00 0.00 0.00 175.02 173.38 3lme n HIS 61 N 1.95 -0.54 -0.68 -0.03 1.44 -1.26 -1.73 115.22 114.36 3lme n HIS 61 Ca -0.21 -1.90 -0.06 0.00 -2.01 0.00 0.00 57.72 53.53 3lme n HIS 61 Cb 0.56 0.20 -0.09 0.00 0.12 0.00 0.00 29.99 30.78 3lme n HIS 61 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3lme n GLY 62 N -0.43 2.49 3.89 -1.39 0.00 -1.25 -4.11 105.19 104.40 3lme n GLY 62 Ca 0.05 -0.64 -0.29 0.00 0.00 0.00 0.00 46.02 45.14 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 0.95 4.85 0.02 2.61 -4.23 -1.26 -2.55 115.64 116.03 3lme s THR 63 Ca 0.35 0.43 -0.24 0.00 -1.18 0.00 0.00 61.69 61.06 3lme s THR 63 Cb 0.17 -3.77 -0.05 0.00 1.34 0.00 0.00 72.50 70.18 3lme s THR 63 CO 0.00 -0.61 0.71 -0.62 -0.54 0.00 0.00 174.62 173.56 3lme s ASP 64 N -3.46 7.12 0.44 3.99 2.15 -0.06 -4.91 116.67 121.94 3lme s ASP 64 Ca 0.49 1.34 0.12 0.00 0.43 0.00 0.00 52.55 54.94 3lme s ASP 64 Cb -0.10 -2.43 0.99 0.00 -0.30 0.00 0.00 42.92 41.08 3lme s ASP 64 CO 0.36 0.02 2.02 0.08 -0.17 0.00 0.00 175.17 177.48 3lme h ARG 65 N 5.79 0.14 0.22 4.34 0.11 -1.89 -0.33 114.38 122.76 3lme h ARG 65 Ca -0.44 -0.02 -0.01 0.00 0.10 0.00 0.00 59.98 59.61 3lme h ARG 65 Cb 1.20 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 32.26 3lme h ARG 65 CO 0.71 0.21 -0.11 0.28 0.10 0.00 0.00 179.97 181.17 3lme h VAL 66 N 0.14 0.00 0.22 0.08 2.07 -1.93 -3.38 116.25 113.44 3lme h VAL 66 Ca 0.03 -0.42 0.01 0.00 0.82 0.00 0.00 66.70 67.14 3lme h VAL 66 Cb 0.20 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.94 3lme h VAL 66 CO 0.01 0.00 -0.35 0.74 0.02 0.00 0.00 177.57 177.99 3lme h THR 67 N -0.72 0.27 0.00 2.57 2.02 -2.00 -3.47 112.91 111.58 3lme h THR 67 Ca -0.03 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.15 3lme h THR 67 Cb 0.23 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 3lme h THR 67 CO 0.05 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.55 3lme n GLY 68 N -1.44 0.73 3.91 2.16 0.00 -0.14 -5.04 105.19 105.37 3lme n GLY 68 Ca -0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.63 3.51 1.06 1.61 1.02 -1.26 -4.75 119.74 120.30 3lme s LYS 69 Ca 0.00 -0.30 -0.12 0.00 0.02 0.00 0.00 55.97 55.57 3lme s LYS 69 Cb 0.00 -2.95 0.22 0.00 -0.52 0.00 0.00 37.83 34.58 3lme s LYS 69 CO 0.00 0.54 1.07 -1.64 -0.92 0.00 0.00 175.35 174.40 3lme s MET 70 N -2.62 -0.05 0.09 1.68 -1.94 -1.26 -0.88 119.30 114.31 3lme s MET 70 Ca 0.38 0.85 0.10 0.00 -1.71 0.00 0.00 55.69 55.30 3lme s MET 70 Cb -0.13 -1.65 -0.04 0.00 2.01 0.00 0.00 34.83 35.03 3lme s MET 70 CO 0.27 -3.15 -0.25 0.08 -0.01 0.00 0.00 175.02 171.96 3lme s VAL 71 N -2.67 2.31 0.17 -6.03 1.01 -1.06 -4.76 120.40 109.38 3lme s VAL 71 Ca 0.67 -1.55 -0.24 0.00 0.00 0.00 0.00 61.98 60.85 3lme s VAL 71 Cb -0.22 -1.98 -0.08 0.00 0.00 0.00 0.00 36.38 34.10 3lme s VAL 71 CO 0.61 0.21 0.76 -1.81 0.00 0.00 0.00 175.10 174.88 3lme s ASP 72 N -1.71 7.34 0.00 3.32 1.01 -1.26 -4.61 116.67 120.76 3lme s ASP 72 Ca 0.14 1.61 0.00 0.00 0.71 0.00 0.00 52.55 55.00 3lme s ASP 72 Cb -0.10 -2.49 0.00 0.00 1.01 0.00 0.00 42.92 41.34 3lme s ASP 72 CO 0.05 0.19 0.00 0.61 0.21 0.00 0.00 175.17 176.23 3lme n GLY 73 N 1.49 2.35 0.41 0.21 0.00 -1.26 -4.56 105.19 103.83 3lme n GLY 73 Ca -0.05 -1.33 -0.16 0.00 0.00 0.00 0.00 46.02 44.48 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 -1.12 0.52 1.61 5.19 -1.99 -1.07 116.42 119.56 3lme h ASP 74 Ca 0.00 0.11 -0.03 0.00 -0.62 0.00 0.00 57.03 56.49 3lme h ASP 74 Cb 0.00 0.39 0.01 0.00 0.18 0.00 0.00 39.33 39.91 3lme h ASP 74 CO 0.00 -0.52 -0.25 -0.08 -3.12 0.00 0.00 179.24 175.27 3lme h GLU 75 N -0.76 -0.67 -1.00 3.56 4.81 -1.97 -2.03 114.58 116.53 3lme h GLU 75 Ca -0.01 0.05 0.26 0.00 -0.13 0.00 0.00 59.36 59.52 3lme h GLU 75 Cb 0.71 0.15 -0.19 0.00 0.63 0.00 0.00 28.75 30.05 3lme h GLU 75 CO -0.12 -0.41 -0.04 0.00 -0.73 0.00 0.00 179.01 177.70 3lme n ALA 76 N -2.43 0.45 -0.26 2.92 0.00 -1.25 -0.80 120.51 119.13 3lme n ALA 76 Ca -0.12 1.07 -0.06 0.00 0.00 0.00 0.00 53.44 54.33 3lme n ALA 76 Cb 0.30 -0.75 0.05 0.00 0.00 0.00 0.00 19.45 19.05 3lme n ALA 76 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3lme h ARG 77 N 0.00 1.07 -0.01 0.00 9.65 -0.83 -1.08 114.38 123.18 3lme h ARG 77 Ca 0.57 -0.19 -0.20 0.00 -1.10 0.00 0.00 59.98 59.07 3lme h ARG 77 Cb 1.12 -0.17 -0.01 0.00 -1.39 0.00 0.00 29.97 29.52 3lme h ARG 77 CO -0.96 0.88 -0.86 0.82 2.80 0.00 0.00 179.97 182.65 3lme h ILE 78 N 1.02 1.46 -0.64 1.20 2.04 -0.35 -2.16 117.51 120.08 3lme h ILE 78 Ca 0.24 -2.51 -0.04 0.00 1.00 0.00 0.00 64.86 63.55 3lme h ILE 78 Cb 0.21 2.40 -0.03 0.00 -0.74 0.00 0.00 36.82 38.66 3lme h ILE 78 CO -0.02 0.74 0.23 -0.09 0.00 0.00 0.00 178.15 179.01 3lme h ARG 79 N 0.14 0.97 -0.26 2.37 9.65 -0.76 -2.52 114.38 123.97 3lme h ARG 79 Ca -0.05 -0.19 -0.11 0.00 -1.10 0.00 0.00 59.98 58.54 3lme h ARG 79 Cb 1.47 -0.15 -0.01 0.00 -1.39 0.00 0.00 29.97 29.89 3lme h ARG 79 CO 0.13 0.83 -0.30 -0.09 2.80 0.00 0.00 179.97 183.34 3lme h ARG 80 N 0.90 0.53 0.40 0.20 9.65 -1.07 0.19 114.38 125.18 3lme h ARG 80 Ca 0.21 -0.23 -0.01 0.00 -1.10 0.00 0.00 59.98 58.85 3lme h ARG 80 Cb 0.24 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.79 3lme h ARG 80 CO -0.01 0.78 -0.28 1.98 2.80 0.00 0.00 179.97 185.23 3lme h MET 81 N 0.46 -0.64 -0.20 0.20 4.05 -1.26 0.12 114.93 117.65 3lme h MET 81 Ca 0.06 0.04 0.04 0.00 -0.28 0.00 0.00 59.70 59.56 3lme h MET 81 Cb 0.75 0.15 -0.03 0.00 -0.80 0.00 0.00 31.60 31.67 3lme h MET 81 CO 0.06 -0.43 -0.02 0.74 0.23 0.00 0.00 176.91 177.49 3lme h PHE 82 N -0.66 -0.05 -0.79 1.39 0.04 -0.97 -1.97 116.94 113.92 3lme h PHE 82 Ca -0.04 0.02 0.11 0.00 2.80 0.00 0.00 57.97 60.86 3lme h PHE 82 Cb 0.56 0.05 -0.08 0.00 2.20 0.00 0.00 35.95 38.69 3lme h PHE 82 CO -0.12 -0.05 0.42 -0.44 -0.60 0.00 0.00 178.31 177.52 3lme h ASP 83 N 0.04 0.55 0.07 2.17 3.32 -0.49 -0.34 116.42 121.75 3lme h ASP 83 Ca 0.10 0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.21 3lme h ASP 83 Cb 0.13 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.65 3lme h ASP 83 CO -0.18 0.29 -0.03 0.78 -1.72 0.00 0.00 179.24 178.38 3lme h ASN 84 N 0.67 -0.08 -0.31 6.45 -0.26 -0.38 -1.03 115.58 120.65 3lme h ASN 84 Ca 0.40 -0.12 0.05 0.00 -0.56 0.00 0.00 56.30 56.07 3lme h ASN 84 Cb 0.45 0.02 -0.04 0.00 -1.06 0.00 0.00 38.32 37.69 3lme h ASN 84 CO -0.29 0.07 0.04 -0.03 -1.06 0.00 0.00 177.43 176.15 3lme h MET 85 N -0.22 0.13 -0.43 0.81 4.05 -0.90 -0.73 114.93 117.65 3lme h MET 85 Ca -0.01 -0.01 -0.07 0.00 -0.28 0.00 0.00 59.70 59.34 3lme h MET 85 Cb 0.19 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 30.94 3lme h MET 85 CO 0.02 0.09 0.01 -0.07 0.23 0.00 0.00 176.91 177.19 3lme h LEU 86 N 0.14 0.73 -0.45 3.39 3.38 -1.02 0.64 115.31 122.11 3lme h LEU 86 Ca 0.15 -0.30 0.09 0.00 0.09 0.00 0.00 57.88 57.91 3lme h LEU 86 Cb 0.18 -0.20 -0.08 0.00 0.09 0.00 0.00 40.66 40.65 3lme h LEU 86 CO -0.22 0.85 -0.10 0.00 0.09 0.00 0.00 178.44 179.06 3lme h ALA 87 N 0.90 0.31 -0.70 1.53 0.00 -0.93 0.38 119.26 120.75 3lme h ALA 87 Ca 0.12 0.17 0.02 0.00 0.00 0.00 0.00 54.91 55.22 3lme h ALA 87 Cb 0.47 0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 3lme h ALA 87 CO 0.02 -0.44 0.45 0.00 0.00 0.00 0.00 179.25 179.28 3lme h ALA 88 N 1.45 0.91 -0.14 0.00 0.00 -0.71 -2.14 119.26 118.63 3lme h ALA 88 Ca 0.22 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.13 3lme h ALA 88 Cb 0.33 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 3lme h ALA 88 CO -0.46 0.27 -0.09 0.00 0.00 0.00 0.00 179.25 178.97 3lme h ALA 89 N 1.28 0.02 -0.99 0.00 0.00 -0.08 -2.79 119.26 116.70 3lme h ALA 89 Ca 0.27 0.05 0.14 0.00 0.00 0.00 0.00 54.91 55.38 3lme h ALA 89 Cb -0.05 0.21 -0.09 0.00 0.00 0.00 0.00 17.79 17.86 3lme h ALA 89 CO -0.08 -0.54 0.62 1.49 0.00 0.00 0.00 179.25 180.74 3lme h GLU 90 N -0.10 0.88 0.00 0.00 4.22 0.19 -0.01 114.58 119.76 3lme h GLU 90 Ca 0.08 -0.05 -0.01 0.00 0.08 0.00 0.00 59.36 59.47 3lme h GLU 90 Cb 0.22 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 3lme h GLU 90 CO -0.20 0.58 -0.03 0.00 -2.18 0.00 0.00 179.01 177.19 3lme h ALA 91 N 1.57 1.16 -0.18 2.92 0.00 -1.11 0.31 119.26 123.93 3lme h ALA 91 Ca 0.51 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.40 3lme h ALA 91 Cb 0.62 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3lme h ALA 91 CO -0.29 0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.00 3lme n ALA 92 N -2.17 2.37 -1.21 0.00 0.00 -0.17 -4.96 120.51 114.37 3lme n ALA 92 Ca -0.02 -0.84 0.00 0.00 0.00 0.00 0.00 53.44 52.58 3lme n ALA 92 Cb 0.14 -0.49 0.00 0.00 0.00 0.00 0.00 19.45 19.10 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 0.76 1.03 3.21 0.00 0.00 0.11 -5.03 105.19 105.26 3lme n GLY 93 Ca 0.10 -0.52 -0.29 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.04 1.89 0.47 4.61 0.00 -0.29 -4.90 121.76 121.49 3lme s ALA 94 Ca 0.00 -0.89 0.08 0.00 0.00 0.00 0.00 51.96 51.14 3lme s ALA 94 Cb 0.00 -0.60 0.01 0.00 0.00 0.00 0.00 23.12 22.54 3lme s ALA 94 CO 0.00 0.36 0.49 0.95 0.00 0.00 0.00 175.76 177.56 3lme s THR 95 N -0.09 2.46 0.55 0.00 -4.23 -1.26 -2.23 115.64 110.85 3lme s THR 95 Ca -0.03 -1.24 0.23 0.00 -1.18 0.00 0.00 61.69 59.47 3lme s THR 95 Cb -0.13 -2.71 0.32 0.00 1.34 0.00 0.00 72.50 71.33 3lme s THR 95 CO 0.03 0.00 2.18 0.07 -0.54 0.00 0.00 174.62 176.36 3lme h LYS 96 N 0.76 0.00 0.00 3.99 2.10 -1.99 -0.70 116.57 120.72 3lme h LYS 96 Ca -0.38 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.27 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 0.52 0.00 0.00 0.00 -2.00 0.00 0.00 179.45 177.97 3lme n ALA 97 N -2.44 2.25 1.07 0.07 0.00 -1.26 -3.23 120.51 116.96 3lme n ALA 97 Ca -0.02 -0.12 0.11 0.00 0.00 0.00 0.00 53.44 53.42 3lme n ALA 97 Cb 0.14 -1.39 0.10 0.00 0.00 0.00 0.00 19.45 18.30 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 -1.23 1.59 -4.67 0.00 8.00 -0.27 -4.97 116.55 114.99 3lme n ASP 98 Ca 0.13 -1.24 -0.42 0.00 0.71 0.00 0.00 54.79 53.96 3lme n ASP 98 Cb 0.17 0.43 -0.03 0.00 -0.02 0.00 0.00 41.12 41.67 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 -2.56 3.64 -0.43 2.24 0.00 -1.20 -0.46 121.76 122.98 3lme s ALA 99 Ca 0.19 1.21 0.21 0.00 0.00 0.00 0.00 51.96 53.56 3lme s ALA 99 Cb 0.18 -3.78 -0.28 0.00 0.00 0.00 0.00 23.12 19.25 3lme s ALA 99 CO 0.60 -1.39 0.63 1.33 0.00 0.00 0.00 175.76 176.94 3lme n VAL 100 N 5.26 0.00 -3.64 0.00 0.24 0.63 -4.60 118.33 116.22 3lme n VAL 100 Ca 0.18 -0.28 -0.07 0.00 -2.04 0.00 0.00 64.34 62.13 3lme n VAL 100 Cb 0.41 0.45 -0.07 0.00 -1.47 0.00 0.00 33.84 33.16 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 -3.22 0.62 -0.16 7.34 3.52 -1.15 -4.32 118.95 121.58 3lme s ARG 101 Ca -0.01 0.99 0.01 0.00 -0.13 0.00 0.00 55.73 56.59 3lme s ARG 101 Cb 0.14 0.17 0.02 0.00 -1.56 0.00 0.00 34.95 33.72 3lme s ARG 101 CO 0.85 -0.12 -0.18 -0.51 -0.81 0.00 0.00 175.30 174.54 3lme s LEU 102 N 1.25 1.95 -0.22 -0.88 1.43 -0.61 -1.47 118.68 120.12 3lme s LEU 102 Ca -0.07 -0.58 -0.06 0.00 -1.03 0.00 0.00 54.13 52.39 3lme s LEU 102 Cb -0.05 -1.35 -0.03 0.00 0.03 0.00 0.00 46.19 44.79 3lme s LEU 102 CO -0.14 -0.01 0.04 -0.89 0.23 0.00 0.00 176.35 175.58 3lme s THR 103 N 1.28 4.18 -0.20 5.49 2.01 -0.20 -1.26 115.64 126.94 3lme s THR 103 Ca 0.03 -0.22 -0.02 0.00 0.31 0.00 0.00 61.69 61.79 3lme s THR 103 Cb -0.13 -2.92 0.00 0.00 0.01 0.00 0.00 72.50 69.45 3lme s THR 103 CO -0.10 0.39 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.41 3lme s VAL 104 N 1.28 2.88 -0.21 3.82 1.01 0.63 -0.99 120.40 128.82 3lme s VAL 104 Ca 0.04 -0.67 -0.07 0.00 0.00 0.00 0.00 61.98 61.29 3lme s VAL 104 Cb -0.15 -2.27 -0.03 0.00 0.00 0.00 0.00 36.38 33.93 3lme s VAL 104 CO 0.02 0.47 0.05 -0.36 0.00 0.00 0.00 175.10 175.29 3lme s PHE 105 N 1.28 3.14 0.23 5.22 0.08 0.44 -0.62 117.98 127.75 3lme s PHE 105 Ca 0.03 -0.19 0.05 0.00 0.12 0.00 0.00 56.93 56.94 3lme s PHE 105 Cb -0.14 -2.13 -0.05 0.00 -0.57 0.00 0.00 43.02 40.13 3lme s PHE 105 CO -0.05 -0.09 -0.04 0.14 -0.10 0.00 0.00 175.22 175.07 3lme s VAL 106 N 0.91 1.22 -0.45 -0.44 -7.23 0.48 -0.56 120.40 114.34 3lme s VAL 106 Ca 0.03 -2.07 0.23 0.00 -1.81 0.00 0.00 61.98 58.37 3lme s VAL 106 Cb -0.14 -2.27 0.01 0.00 0.56 0.00 0.00 36.38 34.54 3lme s VAL 106 CO 0.03 -0.40 1.15 0.74 -0.31 0.00 0.00 175.10 176.30 3lme h THR 107 N 2.49 0.00 -0.98 5.32 2.02 -1.58 0.18 112.91 120.35 3lme h THR 107 Ca -0.38 -0.73 0.03 0.00 0.77 0.00 0.00 66.41 66.10 3lme h THR 107 Cb 1.22 1.24 -0.21 0.00 -1.74 0.00 0.00 68.15 68.66 3lme h THR 107 CO 0.65 0.00 -0.37 -0.62 0.37 0.00 0.00 175.52 175.54 3lme s ASP 108 N -4.73 -1.60 0.17 4.18 -1.08 -1.26 -4.66 116.67 107.68 3lme s ASP 108 Ca 0.03 0.12 -0.04 0.00 -0.52 0.00 0.00 52.55 52.14 3lme s ASP 108 Cb 0.12 2.01 0.04 0.00 -1.46 0.00 0.00 42.92 43.63 3lme s ASP 108 CO 0.76 -0.29 1.44 1.62 0.52 0.00 0.00 175.17 179.23 3lme h VAL 109 N 5.89 1.34 -0.71 1.11 3.04 -1.91 -2.10 116.25 122.92 3lme h VAL 109 Ca -0.01 -1.99 0.08 0.00 -1.01 0.00 0.00 66.70 63.77 3lme h VAL 109 Cb 1.19 1.97 -0.05 0.00 -2.01 0.00 0.00 31.29 32.39 3lme h VAL 109 CO 0.14 0.61 0.47 0.00 -1.01 0.00 0.00 177.57 177.78 3lme h ALA 110 N 0.89 1.78 0.07 3.17 0.00 -2.00 -0.49 119.26 122.68 3lme h ALA 110 Ca -0.02 -0.02 -0.33 0.00 0.00 0.00 0.00 54.91 54.54 3lme h ALA 110 Cb 1.25 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 3lme h ALA 110 CO 0.12 0.10 -1.83 -0.22 0.00 0.00 0.00 179.25 177.42 3lme h LYS 111 N 0.68 0.15 0.00 0.00 3.64 -1.96 -3.41 116.57 115.68 3lme h LYS 111 Ca 0.32 -0.26 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3lme h LYS 111 Cb 0.35 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 3lme h LYS 111 CO -0.11 0.91 -1.31 0.66 -2.27 0.00 0.00 179.45 177.33 3lme n TYR 112 N -3.30 0.00 -0.32 1.91 4.01 -0.81 -4.36 117.16 114.29 3lme n TYR 112 Ca -0.24 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.45 3lme n TYR 112 Cb 1.05 -0.21 0.08 0.00 -0.31 0.00 0.00 39.34 39.95 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 1.24 -0.40 -0.72 2.43 -1.28 -0.62 114.38 115.02 3lme h ARG 113 Ca 0.00 -0.17 -0.09 0.00 -0.81 0.00 0.00 59.98 58.91 3lme h ARG 113 Cb 0.55 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 3lme h ARG 113 CO 0.00 0.93 -0.12 -1.35 -1.51 0.00 0.00 179.97 177.92 3lme h PRO 114 N 1.23 0.71 -0.85 0.20 0.11 -1.80 -0.91 132.00 130.69 3lme h PRO 114 Ca 0.30 -0.23 -0.02 0.00 0.11 0.00 0.00 66.00 66.15 3lme h PRO 114 Cb 0.09 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 31.10 3lme h PRO 114 CO -0.04 0.81 0.43 0.28 -0.21 0.00 0.00 178.00 179.27 3lme h VAL 115 N 0.64 1.25 -0.57 3.15 2.07 -1.66 -0.55 116.25 120.58 3lme h VAL 115 Ca 0.11 -0.68 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 3lme h VAL 115 Cb 0.58 0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 3lme h VAL 115 CO 0.04 0.30 0.30 0.58 0.02 0.00 0.00 177.57 178.80 3lme h VAL 116 N 1.19 1.19 0.05 2.57 2.07 -0.72 -0.56 116.25 122.05 3lme h VAL 116 Ca 0.29 -0.51 0.01 0.00 0.82 0.00 0.00 66.70 67.31 3lme h VAL 116 Cb 0.08 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 3lme h VAL 116 CO -0.04 0.21 -0.08 0.78 0.02 0.00 0.00 177.57 178.46 3lme h ASN 117 N 0.77 -0.22 -0.33 0.57 2.35 -0.57 -0.80 115.58 117.34 3lme h ASN 117 Ca 0.20 0.03 0.07 0.00 -0.55 0.00 0.00 56.30 56.05 3lme h ASN 117 Cb 0.07 0.08 -0.07 0.00 0.05 0.00 0.00 38.32 38.45 3lme h ASN 117 CO -0.03 -0.12 -0.14 0.50 -1.65 0.00 0.00 177.43 175.99 3lme h LYS 118 N -0.17 -0.08 -0.32 0.81 1.63 -0.96 0.17 116.57 117.66 3lme h LYS 118 Ca 0.01 0.01 -0.07 0.00 -0.85 0.00 0.00 60.65 59.75 3lme h LYS 118 Cb 0.18 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.81 3lme h LYS 118 CO -0.05 -0.05 -0.09 0.28 -3.45 0.00 0.00 179.45 176.09 3lme h VAL 119 N -0.08 1.22 0.00 2.00 2.07 -0.85 -1.46 116.25 119.15 3lme h VAL 119 Ca 0.17 -0.97 -0.10 0.00 0.82 0.00 0.00 66.70 66.62 3lme h VAL 119 Cb 0.34 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 3lme h VAL 119 CO -0.39 0.32 -0.46 1.56 0.02 0.00 0.00 177.57 178.63 3lme h GLN 120 N 0.49 0.00 -0.42 1.57 4.20 -0.25 -2.42 115.11 118.28 3lme h GLN 120 Ca 0.09 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.71 3lme h GLN 120 Cb 0.46 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 3lme h GLN 120 CO 0.02 0.46 -0.13 0.87 -0.67 0.00 0.00 178.83 179.38 3lme h LYS 121 N 0.00 0.83 -0.70 1.46 1.57 0.22 -0.18 116.57 119.77 3lme h LYS 121 Ca -0.00 -0.33 0.09 0.00 -1.87 0.00 0.00 60.65 58.54 3lme h LYS 121 Cb 0.86 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 33.09 3lme h LYS 121 CO 0.06 0.96 0.46 -0.44 -0.57 0.00 0.00 179.45 179.92 3lme h ASP 122 N 0.65 0.54 0.00 0.86 3.32 -0.90 -1.24 116.42 119.66 3lme h ASP 122 Ca 0.10 0.01 -0.17 0.00 0.02 0.00 0.00 57.03 57.00 3lme h ASP 122 Cb 0.67 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.09 3lme h ASP 122 CO 0.05 0.33 -1.18 -0.38 -1.72 0.00 0.00 179.24 176.34 3lme n ILE 123 N -4.49 1.49 1.13 0.35 5.41 -0.95 -4.47 119.36 117.84 3lme n ILE 123 Ca 0.11 0.02 0.12 0.00 1.00 0.00 0.00 62.75 64.00 3lme n ILE 123 Cb 0.32 -2.17 0.36 0.00 -0.71 0.00 0.00 39.64 37.44 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 -4.47 0.17 0.00 1.39 8.01 -0.10 -5.02 117.44 117.42 3lme n TRP 124 Ca -0.25 -0.09 0.00 0.00 -1.31 0.00 0.00 57.50 55.85 3lme n TRP 124 Cb 0.56 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.86 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 1.23 3.85 1.19 6.99 0.00 -0.47 -2.12 105.19 115.87 3lme n GLY 125 Ca 0.17 0.12 0.12 0.00 0.00 0.00 0.00 46.02 46.43 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 6.84 3.52 0.00 1.61 5.75 -1.26 -4.57 116.55 128.43 3lme n ASP 126 Ca 0.00 -1.98 0.00 0.00 -0.01 0.00 0.00 54.79 52.80 3lme n ASP 126 Cb 0.00 -0.35 0.00 0.00 -1.03 0.00 0.00 41.12 39.74 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 1.54 0.80 3.72 6.12 0.00 -0.90 -4.91 105.19 111.56 3lme n GLY 127 Ca 0.21 -2.32 -0.29 0.00 0.00 0.00 0.00 46.02 43.62 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 -0.88 0.93 0.09 1.61 0.04 -1.26 -5.03 135.00 130.51 3lme s PRO 128 Ca 0.00 0.53 0.08 0.00 0.04 0.00 0.00 61.00 61.65 3lme s PRO 128 Cb 0.00 -1.79 -0.04 0.00 0.04 0.00 0.00 34.50 32.71 3lme s PRO 128 CO 0.00 -2.39 -0.16 0.71 0.04 0.00 0.00 177.00 175.20 3lme s TYR 129 N -3.06 2.60 0.48 0.56 2.02 -1.26 -5.01 117.35 113.68 3lme s TYR 129 Ca 0.64 -0.23 -0.24 0.00 -0.37 0.00 0.00 57.07 56.87 3lme s TYR 129 Cb -0.17 -1.40 -0.08 0.00 -0.40 0.00 0.00 41.96 39.91 3lme s TYR 129 CO 0.56 0.36 1.27 -2.30 -1.57 0.00 0.00 175.55 173.87 3lme n PRO 130 N 0.99 1.76 -1.86 -1.71 -0.02 -1.26 -4.97 135.00 127.93 3lme n PRO 130 Ca -0.15 0.64 -0.41 0.00 -2.02 0.00 0.00 63.50 61.55 3lme n PRO 130 Cb 0.52 -2.43 -0.01 0.00 -0.02 0.00 0.00 33.50 31.57 3lme n PRO 130 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 3lme s PRO 131 N -2.48 4.16 0.05 0.52 0.02 -1.26 -4.88 135.00 131.12 3lme s PRO 131 Ca 0.66 2.50 -0.04 0.00 0.02 0.00 0.00 61.00 64.14 3lme s PRO 131 Cb -0.47 -3.00 -0.02 0.00 0.02 0.00 0.00 34.50 31.04 3lme s PRO 131 CO 0.54 -0.48 0.06 0.50 -0.33 0.00 0.00 177.00 177.29 3lme s ARG 132 N -1.76 0.60 -0.10 5.54 3.52 -1.26 -1.58 118.95 123.90 3lme s ARG 132 Ca 0.54 -0.90 -0.09 0.00 -0.13 0.00 0.00 55.73 55.15 3lme s ARG 132 Cb -0.45 0.23 0.03 0.00 -1.56 0.00 0.00 34.95 33.19 3lme s ARG 132 CO 0.59 -0.14 0.27 -0.08 -0.81 0.00 0.00 175.30 175.12 3lme s THR 133 N -3.02 -0.01 -0.20 4.11 -1.32 -0.39 -4.95 115.64 109.86 3lme s THR 133 Ca -0.01 0.03 0.01 0.00 -1.21 0.00 0.00 61.69 60.50 3lme s THR 133 Cb 0.01 -0.39 0.04 0.00 -1.51 0.00 0.00 72.50 70.66 3lme s THR 133 CO -0.07 0.01 -0.12 -0.69 -2.21 0.00 0.00 174.62 171.54 3lme s VAL 134 N 0.37 1.78 0.03 5.08 1.01 -1.26 -0.26 120.40 127.14 3lme s VAL 134 Ca -0.02 -1.06 0.07 0.00 0.00 0.00 0.00 61.98 60.98 3lme s VAL 134 Cb -0.03 -1.80 -0.03 0.00 0.00 0.00 0.00 36.38 34.51 3lme s VAL 134 CO -0.02 0.22 -0.20 -0.76 0.00 0.00 0.00 175.10 174.35 3lme s LEU 135 N 1.34 2.48 0.25 3.92 1.43 0.21 -4.99 118.68 123.32 3lme s LEU 135 Ca -0.01 -0.45 -0.23 0.00 -1.03 0.00 0.00 54.13 52.41 3lme s LEU 135 Cb -0.16 -1.45 -0.09 0.00 0.03 0.00 0.00 46.19 44.52 3lme s LEU 135 CO -0.09 0.27 0.82 -1.58 0.23 0.00 0.00 176.35 176.00 3lme s GLN 136 N -1.28 4.45 -0.08 1.70 0.74 -1.26 -0.38 119.66 123.55 3lme s GLN 136 Ca 0.13 1.11 -0.07 0.00 0.05 0.00 0.00 55.36 56.58 3lme s GLN 136 Cb -0.10 -2.93 0.03 0.00 1.10 0.00 0.00 33.01 31.11 3lme s GLN 136 CO 0.04 0.39 0.22 0.08 -0.55 0.00 0.00 175.29 175.46 3lme s VAL 137 N -1.48 -0.01 0.30 1.34 1.01 0.62 -4.87 120.40 117.31 3lme s VAL 137 Ca 0.44 0.03 0.25 0.00 0.00 0.00 0.00 61.98 62.70 3lme s VAL 137 Cb -0.19 -0.32 0.25 0.00 0.00 0.00 0.00 36.38 36.12 3lme s VAL 137 CO 0.23 0.01 1.95 1.55 0.00 0.00 0.00 175.10 178.84 3lme h PRO 138 N 6.07 0.00 -1.80 2.72 0.13 -1.89 -3.38 132.00 133.86 3lme h PRO 138 Ca -0.29 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.85 3lme h PRO 138 Cb 1.19 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.11 3lme h PRO 138 CO 0.37 0.19 0.35 0.00 -0.23 0.00 0.00 178.00 178.69 3lme s ALA 139 N -3.96 -1.85 0.45 -0.56 0.00 -1.26 -5.02 121.76 109.56 3lme s ALA 139 Ca -0.01 1.48 0.03 0.00 0.00 0.00 0.00 51.96 53.46 3lme s ALA 139 Cb 0.12 -0.40 -0.02 0.00 0.00 0.00 0.00 23.12 22.81 3lme s ALA 139 CO 0.62 -0.34 0.07 -0.51 0.00 0.00 0.00 175.76 175.60 3lme s LEU 140 N -1.05 2.15 -0.50 0.00 1.43 -1.26 -5.04 118.68 114.41 3lme s LEU 140 Ca -0.06 -1.65 -0.41 0.00 -1.03 0.00 0.00 54.13 50.98 3lme s LEU 140 Cb -0.01 -0.40 -0.18 0.00 0.03 0.00 0.00 46.19 45.63 3lme s LEU 140 CO 0.05 -0.88 2.06 0.47 0.23 0.00 0.00 176.35 178.29 3lme n ASP 141 N -1.27 0.68 0.00 2.29 8.00 -1.26 -2.44 116.55 122.55 3lme n ASP 141 Ca -0.11 0.62 0.00 0.00 0.71 0.00 0.00 54.79 56.00 3lme n ASP 141 Cb 0.66 -0.85 0.00 0.00 -0.02 0.00 0.00 41.12 40.91 3lme n ASP 141 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3lme n GLN 142 N 7.16 -0.22 -1.04 -1.24 6.02 -1.26 -3.00 117.38 123.79 3lme n GLN 142 Ca 0.53 0.05 -0.02 0.00 -0.01 0.00 0.00 57.00 57.56 3lme n GLN 142 Cb -0.03 -3.19 -0.01 0.00 1.02 0.00 0.00 30.24 28.02 3lme n GLN 142 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3lme n GLY 143 N -2.48 0.50 3.34 1.08 0.00 -1.02 -5.03 105.19 101.58 3lme n GLY 143 Ca 0.00 -0.27 -0.29 0.00 0.00 0.00 0.00 46.02 45.47 3lme n GLY 143 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3lme n ASP 144 N 0.22 -2.62 -0.00 1.61 -0.08 -1.16 -4.91 116.55 109.61 3lme n ASP 144 Ca -0.02 -0.37 0.04 0.00 -1.51 0.00 0.00 54.79 52.94 3lme n ASP 144 Cb 0.13 -1.10 -0.06 0.00 2.34 0.00 0.00 41.12 42.43 3lme n ASP 144 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 3lme n ILE 145 N -5.11 0.00 -3.71 5.18 -5.35 -1.26 -4.43 119.36 104.69 3lme n ILE 145 Ca 0.05 -0.26 -0.13 0.00 -0.27 0.00 0.00 62.75 62.13 3lme n ILE 145 Cb 0.56 0.72 -0.09 0.00 -1.74 0.00 0.00 39.64 39.09 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 -2.12 -1.18 0.04 -1.28 0.00 -1.26 -2.02 121.76 113.94 3lme s ALA 146 Ca 0.01 1.34 0.02 0.00 0.00 0.00 0.00 51.96 53.32 3lme s ALA 146 Cb 0.06 -0.77 -0.02 0.00 0.00 0.00 0.00 23.12 22.39 3lme s ALA 146 CO 0.35 -0.23 -0.07 -2.00 0.00 0.00 0.00 175.76 173.82 3lme s GLU 147 N 0.23 0.49 -0.02 0.00 2.12 0.27 -4.48 118.70 117.31 3lme s GLU 147 Ca -0.00 -0.69 0.01 0.00 0.36 0.00 0.00 54.97 54.64 3lme s GLU 147 Cb -0.03 -0.24 0.01 0.00 0.26 0.00 0.00 34.13 34.13 3lme s GLU 147 CO 0.01 0.04 -0.03 -1.50 -0.54 0.00 0.00 175.26 173.24 3lme s ILE 148 N -1.30 0.32 -0.23 -3.70 2.07 -0.71 -0.42 121.20 117.24 3lme s ILE 148 Ca -0.10 -0.09 -0.09 0.00 -1.41 0.00 0.00 60.65 58.97 3lme s ILE 148 Cb -0.09 -0.33 -0.04 0.00 0.13 0.00 0.00 42.46 42.13 3lme s ILE 148 CO 0.00 0.13 0.10 -1.81 -1.91 0.00 0.00 174.94 171.46 3lme s ASP 149 N 0.42 5.63 -0.04 4.50 1.01 -0.16 -1.97 116.67 126.06 3lme s ASP 149 Ca -0.04 -0.01 0.06 0.00 0.71 0.00 0.00 52.55 53.26 3lme s ASP 149 Cb -0.08 -2.00 -0.01 0.00 1.01 0.00 0.00 42.92 41.84 3lme s ASP 149 CO -0.01 0.06 -0.22 -0.83 0.21 0.00 0.00 175.17 174.38 3lme s GLY 150 N 1.09 1.13 -0.07 0.21 0.00 -1.25 -1.03 107.32 107.39 3lme s GLY 150 Ca 0.05 -0.94 0.03 0.00 0.00 0.00 0.00 44.72 43.87 3lme s GLY 150 CO 0.04 -0.66 -0.17 -1.59 0.00 0.00 0.00 173.10 170.72 3lme s THR 151 N -0.29 1.45 0.18 0.90 2.01 -0.54 -0.93 115.64 118.41 3lme s THR 151 Ca 0.02 -0.68 0.09 0.00 0.31 0.00 0.00 61.69 61.43 3lme s THR 151 Cb -0.11 -1.28 -0.04 0.00 0.01 0.00 0.00 72.50 71.08 3lme s THR 151 CO 0.01 0.42 -0.19 -0.36 -0.69 0.00 0.00 174.62 173.81 3lme s PHE 152 N 0.41 1.92 -0.28 4.92 0.40 0.11 -0.27 117.98 125.19 3lme s PHE 152 Ca -0.13 -0.45 0.01 0.00 -0.60 0.00 0.00 56.93 55.76 3lme s PHE 152 Cb -0.15 -0.94 0.06 0.00 0.51 0.00 0.00 43.02 42.49 3lme s PHE 152 CO 0.05 0.39 -0.06 -0.47 0.70 0.00 0.00 175.22 175.82 3lme s TYR 153 N -2.08 3.27 -0.44 0.36 5.04 0.39 -0.82 117.35 123.07 3lme s TYR 153 Ca 0.18 -2.15 0.06 0.00 -2.44 0.00 0.00 57.07 52.72 3lme s TYR 153 Cb -0.06 -2.02 0.21 0.00 0.35 0.00 0.00 41.96 40.45 3lme s TYR 153 CO 0.08 -0.85 0.47 0.00 -1.34 0.00 0.00 175.55 173.91 3lme n ALA 154 N 4.51 2.81 -1.77 3.97 0.00 -0.08 -4.72 120.51 125.24 3lme n ALA 154 Ca -0.13 -3.49 -0.36 0.00 0.00 0.00 0.00 53.44 49.46 3lme n ALA 154 Cb 0.43 -0.81 0.01 0.00 0.00 0.00 0.00 19.45 19.08 3lme n ALA 154 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3lme s PRO 155 N -0.86 3.28 0.00 0.00 0.04 -1.25 -4.87 135.00 131.34 3lme s PRO 155 Ca 0.34 1.72 0.00 0.00 0.04 0.00 0.00 61.00 63.10 3lme s PRO 155 Cb 0.10 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.60 3lme s PRO 155 CO -0.14 -0.93 0.31 0.00 0.04 0.00 0.00 177.00 176.28