#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k27 s VAL 10 N 0.00 3.76 -0.10 0.00 -7.23 -1.26 -4.96 120.40 110.61 1k27 s VAL 10 Ca 0.00 -1.66 -0.04 0.00 -1.81 0.00 0.00 61.98 58.47 1k27 s VAL 10 Cb 0.00 -2.98 0.05 0.00 0.56 0.00 0.00 36.38 34.01 1k27 s VAL 10 CO 0.00 -0.30 0.17 -0.75 -0.31 0.00 0.00 175.10 173.91 1k27 s LYS 11 N -3.51 0.05 -0.33 4.82 2.20 -1.26 -4.42 119.74 117.29 1k27 s LYS 11 Ca 0.31 0.54 -0.15 0.00 -0.36 0.00 0.00 55.97 56.31 1k27 s LYS 11 Cb -0.08 -0.34 -0.02 0.00 -1.51 0.00 0.00 37.83 35.88 1k27 s LYS 11 CO 0.21 -0.34 0.36 0.42 -0.36 0.00 0.00 175.35 175.64 1k27 s ILE 12 N 2.30 5.17 0.15 5.43 -1.09 -0.38 -0.84 121.20 131.96 1k27 s ILE 12 Ca 0.03 0.15 -0.23 0.00 -2.23 0.00 0.00 60.65 58.36 1k27 s ILE 12 Cb -0.12 -3.79 -0.08 0.00 -1.58 0.00 0.00 42.46 36.89 1k27 s ILE 12 CO -0.06 -0.03 0.73 -0.83 -1.23 0.00 0.00 174.94 173.51 1k27 s GLY 13 N 1.72 2.84 -0.16 6.18 0.00 0.14 -1.29 107.32 116.75 1k27 s GLY 13 Ca 0.12 0.27 -0.00 0.00 0.00 0.00 0.00 44.72 45.11 1k27 s GLY 13 CO 0.11 0.75 -0.09 -0.42 0.00 0.00 0.00 173.10 173.45 1k27 s ILE 14 N -1.18 1.29 -0.30 0.90 1.01 0.87 -0.79 121.20 123.02 1k27 s ILE 14 Ca 0.35 -0.62 -0.10 0.00 0.00 0.00 0.00 60.65 60.28 1k27 s ILE 14 Cb -0.22 -1.35 -0.02 0.00 0.01 0.00 0.00 42.46 40.88 1k27 s ILE 14 CO 0.24 0.27 0.15 -0.63 0.00 0.00 0.00 174.94 174.96 1k27 s ILE 15 N 1.58 4.70 -0.09 2.92 1.01 -1.08 -0.51 121.20 129.72 1k27 s ILE 15 Ca 0.02 -0.26 -0.17 0.00 0.00 0.00 0.00 60.65 60.24 1k27 s ILE 15 Cb -0.14 -3.33 -0.05 0.00 0.01 0.00 0.00 42.46 38.95 1k27 s ILE 15 CO -0.09 0.15 0.44 -0.83 0.00 0.00 0.00 174.94 174.61 1k27 s GLY 16 N 1.64 2.40 0.00 6.18 0.00 0.11 -1.94 107.32 115.71 1k27 s GLY 16 Ca 0.05 -0.23 0.00 0.00 0.00 0.00 0.00 44.72 44.55 1k27 s GLY 16 CO 0.07 0.56 0.00 0.61 0.00 0.00 0.00 173.10 174.34 1k27 n GLY 17 N 2.88 0.81 3.68 0.20 0.00 -1.15 -1.37 105.19 110.25 1k27 n GLY 17 Ca -0.10 -1.89 -0.52 0.00 0.00 0.00 0.00 46.02 43.52 1k27 n GLY 17 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1k27 n THR 18 N -0.29 0.47 -1.47 2.61 -1.04 -1.26 -1.23 114.28 112.08 1k27 n THR 18 Ca 0.00 -0.10 -0.16 0.00 -2.04 0.00 0.00 64.05 61.75 1k27 n THR 18 Cb 0.00 -1.65 -0.07 0.00 -1.82 0.00 0.00 70.33 66.79 1k27 n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1k27 n GLY 19 N 4.45 1.56 1.97 3.41 0.00 -1.26 -4.73 105.19 110.60 1k27 n GLY 19 Ca 0.25 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.26 1k27 n GLY 19 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1k27 n LEU 20 N -2.02 2.00 -2.72 0.99 4.77 -0.37 -4.85 117.00 114.80 1k27 n LEU 20 Ca -0.16 -3.03 -0.21 0.00 -0.03 0.00 0.00 56.01 52.58 1k27 n LEU 20 Cb 0.57 0.07 -0.00 0.00 -2.33 0.00 0.00 43.42 41.72 1k27 n LEU 20 CO 0.25 1.05 0.05 -0.90 -1.33 0.00 0.00 177.39 176.50 1k27 n ASP 21 N -0.30 3.31 -4.65 -1.43 5.75 -1.23 -3.64 116.55 114.36 1k27 n ASP 21 Ca 0.13 -3.36 -0.43 0.00 -0.01 0.00 0.00 54.79 51.12 1k27 n ASP 21 Cb 0.93 -0.52 -0.02 0.00 -1.03 0.00 0.00 41.12 40.48 1k27 n ASP 21 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1k27 s ASP 22 N -3.27 7.05 0.51 -1.12 2.15 -1.26 -4.93 116.67 115.80 1k27 s ASP 22 Ca 0.42 1.29 0.30 0.00 0.43 0.00 0.00 52.55 54.99 1k27 s ASP 22 Cb 0.38 -2.54 1.23 0.00 -0.30 0.00 0.00 42.92 41.70 1k27 s ASP 22 CO -0.11 -0.71 1.94 1.55 -0.17 0.00 0.00 175.17 177.68 1k27 h PRO 23 N 7.59 0.00 0.00 4.34 0.13 -1.98 -3.10 132.00 138.98 1k27 h PRO 23 Ca -0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 1k27 h PRO 23 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1k27 h PRO 23 CO 0.99 0.10 0.00 0.39 -0.23 0.00 0.00 178.00 179.24 1k27 n GLU 24 N -3.26 0.01 0.19 0.86 -0.58 -1.26 -2.10 120.64 114.50 1k27 n GLU 24 Ca 0.00 0.41 0.04 0.00 -0.42 0.00 0.00 57.16 57.19 1k27 n GLU 24 Cb 0.34 -1.50 0.38 0.00 -0.57 0.00 0.00 31.44 30.09 1k27 n GLU 24 CO 0.00 0.00 0.00 0.97 -0.48 0.00 0.00 177.13 177.62 1k27 h ILE 25 N 0.00 1.14 -2.92 -3.67 2.10 -1.97 -3.44 117.51 108.75 1k27 h ILE 25 Ca 0.00 -1.32 -0.62 0.00 1.08 0.00 0.00 64.86 64.00 1k27 h ILE 25 Cb 0.03 1.73 -0.04 0.00 -1.09 0.00 0.00 36.82 37.46 1k27 h ILE 25 CO 0.00 0.36 -0.49 -0.76 -1.08 0.00 0.00 178.15 176.18 1k27 s LEU 26 N -7.84 4.35 0.19 2.19 1.43 -0.89 -4.85 118.68 113.27 1k27 s LEU 26 Ca -0.02 0.29 0.05 0.00 -1.03 0.00 0.00 54.13 53.42 1k27 s LEU 26 Cb 0.14 -2.98 -0.04 0.00 0.03 0.00 0.00 46.19 43.34 1k27 s LEU 26 CO 0.71 0.16 0.21 -1.61 0.23 0.00 0.00 176.35 176.05 1k27 s GLU 27 N -2.51 3.08 -1.23 1.70 2.02 -0.27 -4.59 118.70 116.89 1k27 s GLU 27 Ca 0.35 -0.85 -0.04 0.00 0.02 0.00 0.00 54.97 54.45 1k27 s GLU 27 Cb -0.13 -2.72 -0.01 0.00 0.10 0.00 0.00 34.13 31.37 1k27 s GLU 27 CO 0.28 0.46 0.78 0.41 0.02 0.00 0.00 175.26 177.21 1k27 n GLY 28 N -0.74 -0.52 3.77 -1.39 0.00 -1.26 -1.37 105.19 103.68 1k27 n GLY 28 Ca -0.08 0.23 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 1k27 n GLY 28 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1k27 s ARG 29 N -5.69 4.57 -0.07 1.61 0.52 -1.26 -4.34 118.95 114.30 1k27 s ARG 29 Ca 0.13 1.49 -0.03 0.00 -0.52 0.00 0.00 55.73 56.80 1k27 s ARG 29 Cb -0.03 -2.93 0.04 0.00 0.52 0.00 0.00 34.95 32.55 1k27 s ARG 29 CO 0.80 0.24 0.14 0.99 0.02 0.00 0.00 175.30 177.49 1k27 s THR 30 N -1.44 -0.16 0.19 0.02 2.01 -0.31 -4.98 115.64 110.97 1k27 s THR 30 Ca 0.48 0.29 -0.30 0.00 0.31 0.00 0.00 61.69 62.47 1k27 s THR 30 Cb -0.24 -0.26 -0.08 0.00 0.01 0.00 0.00 72.50 71.94 1k27 s THR 30 CO 0.30 0.12 0.99 -0.70 -0.69 0.00 0.00 174.62 174.63 1k27 s GLU 31 N 1.80 4.75 -0.24 4.92 2.12 -1.26 -0.97 118.70 129.81 1k27 s GLU 31 Ca -0.02 1.54 -0.03 0.00 0.36 0.00 0.00 54.97 56.82 1k27 s GLU 31 Cb -0.12 -3.30 0.11 0.00 0.26 0.00 0.00 34.13 31.08 1k27 s GLU 31 CO -0.06 0.32 0.24 0.21 -0.54 0.00 0.00 175.26 175.44 1k27 s LYS 32 N -0.70 0.24 0.12 4.30 2.20 0.49 -4.96 119.74 121.43 1k27 s LYS 32 Ca 0.45 0.03 -0.28 0.00 -0.36 0.00 0.00 55.97 55.80 1k27 s LYS 32 Cb -0.26 -1.01 -0.06 0.00 -1.51 0.00 0.00 37.83 34.98 1k27 s LYS 32 CO 0.33 -0.81 0.89 0.71 -0.36 0.00 0.00 175.35 176.11 1k27 s TYR 33 N 2.32 3.83 0.27 4.03 2.02 -1.26 -0.47 117.35 128.09 1k27 s TYR 33 Ca 0.08 1.72 0.02 0.00 -0.37 0.00 0.00 57.07 58.52 1k27 s TYR 33 Cb -0.15 -2.96 -0.05 0.00 -0.40 0.00 0.00 41.96 38.40 1k27 s TYR 33 CO -0.21 0.28 0.12 0.14 -1.57 0.00 0.00 175.55 174.31 1k27 s VAL 34 N -0.27 0.46 0.16 0.71 -7.23 -1.26 -4.97 120.40 108.00 1k27 s VAL 34 Ca 0.43 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.66 1k27 s VAL 34 Cb -0.23 -2.59 -0.04 0.00 0.56 0.00 0.00 36.38 34.08 1k27 s VAL 34 CO 0.28 0.00 -0.13 -0.62 -0.31 0.00 0.00 175.10 174.33 1k27 s ASP 35 N -3.33 2.11 0.18 4.85 -1.08 -1.26 -4.36 116.67 113.78 1k27 s ASP 35 Ca 0.37 -0.96 -0.00 0.00 -0.52 0.00 0.00 52.55 51.43 1k27 s ASP 35 Cb 0.07 -0.07 -0.04 0.00 -1.46 0.00 0.00 42.92 41.42 1k27 s ASP 35 CO 0.15 -0.23 0.08 0.42 0.52 0.00 0.00 175.17 176.11 1k27 s THR 36 N -2.90 0.24 -0.75 1.71 -4.23 -0.65 -4.96 115.64 104.10 1k27 s THR 36 Ca 0.17 -1.97 0.14 0.00 -1.18 0.00 0.00 61.69 58.85 1k27 s THR 36 Cb -0.00 -2.31 0.13 0.00 1.34 0.00 0.00 72.50 71.66 1k27 s THR 36 CO 0.03 -0.23 1.43 -2.65 -0.54 0.00 0.00 174.62 172.66 1k27 n PRO 37 N -0.24 0.07 -0.27 3.99 -0.02 -1.26 -1.60 135.00 135.67 1k27 n PRO 37 Ca -0.02 0.42 0.08 0.00 -2.02 0.00 0.00 63.50 61.96 1k27 n PRO 37 Cb 0.65 -1.66 0.22 0.00 -0.02 0.00 0.00 33.50 32.68 1k27 n PRO 37 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1k27 n PHE 38 N -1.79 0.70 0.00 6.00 3.01 -1.26 -5.06 117.46 119.06 1k27 n PHE 38 Ca 0.01 -0.53 0.00 0.00 1.01 0.00 0.00 57.45 57.94 1k27 n PHE 38 Cb 0.11 -0.05 0.00 0.00 -0.01 0.00 0.00 39.48 39.53 1k27 n PHE 38 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1k27 n GLY 39 N 0.77 -0.66 3.82 1.37 0.00 -0.63 -4.64 105.19 105.24 1k27 n GLY 39 Ca 0.16 -2.20 -0.36 0.00 0.00 0.00 0.00 46.02 43.62 1k27 n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k27 s LYS 40 N -0.06 4.16 1.06 1.61 1.02 -1.26 -1.64 119.74 124.62 1k27 s LYS 40 Ca 0.00 0.73 -0.13 0.00 0.02 0.00 0.00 55.97 56.60 1k27 s LYS 40 Cb 0.00 -2.91 0.22 0.00 -0.52 0.00 0.00 37.83 34.62 1k27 s LYS 40 CO 0.00 0.43 1.07 -2.14 -0.92 0.00 0.00 175.35 173.79 1k27 s PRO 41 N -1.93 -0.06 0.39 -1.68 0.02 -1.26 -4.82 135.00 125.65 1k27 s PRO 41 Ca 0.41 0.61 0.15 0.00 0.02 0.00 0.00 61.00 62.18 1k27 s PRO 41 Cb -0.16 -1.67 1.00 0.00 0.02 0.00 0.00 34.50 33.68 1k27 s PRO 41 CO 0.20 -3.09 1.84 0.77 -0.33 0.00 0.00 177.00 176.39 1k27 h SER 42 N -2.15 0.50 -2.36 2.53 0.02 -1.85 -3.45 113.55 106.79 1k27 h SER 42 Ca -0.57 0.05 0.03 0.00 -0.84 0.00 0.00 61.79 60.46 1k27 h SER 42 Cb 1.33 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 63.83 1k27 h SER 42 CO 0.55 0.20 0.29 -0.67 -1.14 0.00 0.00 176.83 176.06 1k27 n ASP 43 N -4.57 -1.60 -4.75 3.07 -0.08 -1.26 -4.41 116.55 102.95 1k27 n ASP 43 Ca 0.20 -2.03 -0.36 0.00 -1.51 0.00 0.00 54.79 51.09 1k27 n ASP 43 Cb 0.67 2.65 0.03 0.00 2.34 0.00 0.00 41.12 46.81 1k27 n ASP 43 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1k27 s ALA 44 N -1.81 2.62 0.26 -1.67 0.00 -1.26 -4.85 121.76 115.05 1k27 s ALA 44 Ca 0.14 1.06 -0.29 0.00 0.00 0.00 0.00 51.96 52.87 1k27 s ALA 44 Cb -0.03 -3.47 -0.09 0.00 0.00 0.00 0.00 23.12 19.53 1k27 s ALA 44 CO 0.07 -1.17 0.96 -0.51 0.00 0.00 0.00 175.76 175.12 1k27 s LEU 45 N -3.90 4.57 -0.40 0.00 1.43 0.38 -4.72 118.68 116.03 1k27 s LEU 45 Ca 0.76 1.97 -0.06 0.00 -1.03 0.00 0.00 54.13 55.77 1k27 s LEU 45 Cb -0.32 -3.71 0.09 0.00 0.03 0.00 0.00 46.19 42.28 1k27 s LEU 45 CO 0.36 0.06 0.20 -0.63 0.23 0.00 0.00 176.35 176.57 1k27 s ILE 46 N -1.28 3.68 0.16 -0.59 -1.09 0.25 -0.38 121.20 121.97 1k27 s ILE 46 Ca 0.44 -1.67 -0.29 0.00 -2.23 0.00 0.00 60.65 56.90 1k27 s ILE 46 Cb -0.25 -3.34 -0.07 0.00 -1.58 0.00 0.00 42.46 37.21 1k27 s ILE 46 CO 0.31 -0.53 0.90 -0.76 -1.23 0.00 0.00 174.94 173.63 1k27 s LEU 47 N 1.29 4.57 0.00 2.97 1.02 -0.14 -0.72 118.68 127.67 1k27 s LEU 47 Ca 0.04 1.79 -0.01 0.00 0.02 0.00 0.00 54.13 55.97 1k27 s LEU 47 Cb -0.23 -3.50 0.00 0.00 0.02 0.00 0.00 46.19 42.48 1k27 s LEU 47 CO -0.01 0.08 0.03 0.61 0.02 0.00 0.00 176.35 177.08 1k27 n GLY 48 N 1.85 0.69 3.03 -3.19 0.00 -0.80 -1.16 105.19 105.61 1k27 n GLY 48 Ca -0.01 -0.85 -0.08 0.00 0.00 0.00 0.00 46.02 45.08 1k27 n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k27 s LYS 49 N -2.00 0.45 -0.26 1.61 1.02 -0.47 -0.02 119.74 120.07 1k27 s LYS 49 Ca 0.01 -0.89 0.02 0.00 0.02 0.00 0.00 55.97 55.13 1k27 s LYS 49 Cb -0.00 0.16 0.07 0.00 -0.52 0.00 0.00 37.83 37.53 1k27 s LYS 49 CO -0.00 -0.08 -0.05 0.42 -0.92 0.00 0.00 175.35 174.72 1k27 s ILE 50 N -2.58 1.78 0.00 2.17 1.01 -0.73 -1.12 121.20 121.73 1k27 s ILE 50 Ca -0.06 -1.51 0.00 0.00 0.00 0.00 0.00 60.65 59.09 1k27 s ILE 50 Cb -0.02 -2.05 0.00 0.00 0.01 0.00 0.00 42.46 40.40 1k27 s ILE 50 CO -0.05 -0.18 0.00 0.29 0.00 0.00 0.00 174.94 175.00 1k27 n LYS 51 N 4.55 0.00 -0.40 2.79 4.76 -1.26 -1.64 118.16 126.97 1k27 n LYS 51 Ca -0.10 0.00 0.08 0.00 -2.87 0.00 0.00 58.31 55.42 1k27 n LYS 51 Cb 0.43 0.00 0.25 0.00 -1.84 0.00 0.00 35.03 33.87 1k27 n LYS 51 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1k27 n ASN 52 N 8.63 3.82 -4.70 4.39 3.02 -1.26 -4.97 115.26 124.20 1k27 n ASN 52 Ca 0.00 -2.43 -0.36 0.00 -0.03 0.00 0.00 54.58 51.77 1k27 n ASN 52 Cb 0.00 -0.44 -0.09 0.00 -0.61 0.00 0.00 39.78 38.65 1k27 n ASN 52 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1k27 s VAL 53 N -1.78 5.37 0.16 2.41 1.01 -0.65 -5.07 120.40 121.85 1k27 s VAL 53 Ca 0.38 0.18 -0.30 0.00 0.00 0.00 0.00 61.98 62.24 1k27 s VAL 53 Cb 0.25 -3.47 -0.08 0.00 0.00 0.00 0.00 36.38 33.08 1k27 s VAL 53 CO 0.17 0.40 1.20 -1.81 0.00 0.00 0.00 175.10 175.06 1k27 s ASP 54 N 0.67 7.08 0.14 3.32 1.01 -1.26 -1.77 116.67 125.86 1k27 s ASP 54 Ca 0.08 2.19 0.03 0.00 0.71 0.00 0.00 52.55 55.56 1k27 s ASP 54 Cb -0.12 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.16 1k27 s ASP 54 CO 0.01 -0.39 -0.06 0.00 0.21 0.00 0.00 175.17 174.93 1k27 s VAL 56 N -3.50 0.09 -0.02 0.00 1.01 -0.41 -1.91 120.40 115.66 1k27 s VAL 56 Ca 0.17 -0.22 -0.12 0.00 0.00 0.00 0.00 61.98 61.81 1k27 s VAL 56 Cb 0.04 -0.67 -0.05 0.00 0.00 0.00 0.00 36.38 35.70 1k27 s VAL 56 CO 0.00 -0.22 0.34 -0.22 0.00 0.00 0.00 175.10 175.00 1k27 s LEU 57 N 2.06 4.44 -0.08 3.92 2.96 0.10 -0.09 118.68 132.00 1k27 s LEU 57 Ca 0.01 0.82 -0.03 0.00 -0.22 0.00 0.00 54.13 54.72 1k27 s LEU 57 Cb -0.16 -2.51 0.04 0.00 0.50 0.00 0.00 46.19 44.06 1k27 s LEU 57 CO -0.08 0.33 0.17 -0.22 -1.32 0.00 0.00 176.35 175.22 1k27 s LEU 58 N -1.17 0.52 -0.41 -0.68 2.96 0.33 -0.58 118.68 119.65 1k27 s LEU 58 Ca 0.23 0.34 -0.25 0.00 -0.22 0.00 0.00 54.13 54.23 1k27 s LEU 58 Cb -0.15 0.41 0.02 0.00 0.50 0.00 0.00 46.19 46.97 1k27 s LEU 58 CO 0.12 -0.17 0.91 0.00 -1.32 0.00 0.00 176.35 175.89 1k27 s ALA 59 N 1.40 3.34 0.30 5.97 0.00 -1.26 -0.71 121.76 130.79 1k27 s ALA 59 Ca -0.07 -0.61 0.05 0.00 0.00 0.00 0.00 51.96 51.33 1k27 s ALA 59 Cb -0.12 -3.57 0.74 0.00 0.00 0.00 0.00 23.12 20.18 1k27 s ALA 59 CO -0.06 -1.79 1.75 -0.09 0.00 0.00 0.00 175.76 175.57 1k27 h ARG 60 N 8.74 0.63 -0.54 0.00 2.43 -1.56 -1.61 114.38 122.47 1k27 h ARG 60 Ca -0.24 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.90 1k27 h ARG 60 Cb 1.08 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.49 1k27 h ARG 60 CO 0.99 0.42 0.00 0.72 -1.51 0.00 0.00 179.97 180.59 1k27 n HIS 61 N -4.85 1.16 0.00 2.20 8.25 -1.26 -4.80 115.22 115.92 1k27 n HIS 61 Ca 0.23 -0.62 0.00 0.00 -0.26 0.00 0.00 57.72 57.07 1k27 n HIS 61 Cb 0.61 -0.19 0.00 0.00 1.12 0.00 0.00 29.99 31.52 1k27 n HIS 61 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1k27 n GLY 62 N 0.81 -0.50 0.24 -1.41 0.00 -0.60 -1.05 105.19 102.67 1k27 n GLY 62 Ca 0.22 -1.49 0.15 0.00 0.00 0.00 0.00 46.02 44.91 1k27 n GLY 62 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1k27 h ARG 63 N 0.00 0.00 -0.28 1.61 3.08 -1.86 0.34 114.38 117.27 1k27 h ARG 63 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1k27 h ARG 63 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 1k27 h ARG 63 CO 0.00 0.00 0.00 1.04 -1.07 0.00 0.00 179.97 179.94 1k27 n GLN 64 N -2.57 2.84 -3.67 0.04 6.02 -1.26 -5.00 117.38 113.78 1k27 n GLN 64 Ca -0.02 -2.30 -0.26 0.00 -0.01 0.00 0.00 57.00 54.41 1k27 n GLN 64 Cb 0.10 -1.45 0.02 0.00 1.02 0.00 0.00 30.24 29.93 1k27 n GLN 64 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63 1k27 n HIS 65 N 0.01 -2.05 0.35 1.08 -0.00 0.11 -4.92 115.22 109.80 1k27 n HIS 65 Ca 0.14 0.62 0.04 0.00 -0.00 0.00 0.00 57.72 58.52 1k27 n HIS 65 Cb 0.58 -3.26 0.02 0.00 -0.00 0.00 0.00 29.99 27.33 1k27 n HIS 65 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.34 176.59 1k27 n THR 66 N -3.46 0.00 -3.90 3.57 -2.24 -0.21 -4.96 114.28 103.09 1k27 n THR 66 Ca -0.15 -0.48 -0.35 0.00 -2.27 0.00 0.00 64.05 60.81 1k27 n THR 66 Cb 0.60 1.15 -0.14 0.00 -2.10 0.00 0.00 70.33 69.84 1k27 n THR 66 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1k27 s ILE 67 N -0.82 3.41 0.62 2.28 1.01 -0.99 -5.07 121.20 121.65 1k27 s ILE 67 Ca 0.09 -0.52 -0.16 0.00 0.00 0.00 0.00 60.65 60.07 1k27 s ILE 67 Cb 0.07 -2.58 -0.02 0.00 0.01 0.00 0.00 42.46 39.94 1k27 s ILE 67 CO 0.13 0.39 1.09 0.00 0.00 0.00 0.00 174.94 176.55 1k27 s MET 68 N 1.48 3.05 0.26 2.79 0.23 -1.26 -4.71 119.30 121.15 1k27 s MET 68 Ca 0.05 1.32 -0.02 0.00 -1.03 0.00 0.00 55.69 56.01 1k27 s MET 68 Cb -0.15 -1.99 0.56 0.00 -1.53 0.00 0.00 34.83 31.72 1k27 s MET 68 CO -0.03 -1.04 1.67 -1.35 -2.03 0.00 0.00 175.02 172.24 1k27 h PRO 69 N 0.27 0.23 -0.02 3.16 0.11 -1.89 -0.23 132.00 133.63 1k27 h PRO 69 Ca -0.47 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.63 1k27 h PRO 69 Cb 1.24 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.29 1k27 h PRO 69 CO 0.56 0.15 0.02 0.77 -0.21 0.00 0.00 178.00 179.29 1k27 h SER 70 N 0.24 0.00 -0.38 -2.05 0.02 -1.85 -2.82 113.55 106.71 1k27 h SER 70 Ca 0.47 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.42 1k27 h SER 70 Cb 0.86 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.40 1k27 h SER 70 CO -0.58 0.00 0.00 0.29 -1.14 0.00 0.00 176.83 175.40 1k27 n LYS 71 N -4.24 2.43 -2.05 3.45 5.02 -0.13 -4.92 118.16 117.72 1k27 n LYS 71 Ca -0.02 -2.09 -0.41 0.00 -2.02 0.00 0.00 58.31 53.76 1k27 n LYS 71 Cb 0.11 -1.37 -0.02 0.00 -0.02 0.00 0.00 35.03 33.73 1k27 n LYS 71 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1k27 s VAL 72 N -1.08 2.73 -1.28 -0.18 1.01 -1.00 -4.89 120.40 115.72 1k27 s VAL 72 Ca 0.30 0.63 -0.14 0.00 0.00 0.00 0.00 61.98 62.77 1k27 s VAL 72 Cb 0.16 -3.40 0.12 0.00 0.00 0.00 0.00 36.38 33.26 1k27 s VAL 72 CO 0.22 0.11 1.70 -3.20 0.00 0.00 0.00 175.10 173.93 1k27 n ASN 73 N 2.10 4.95 -0.36 3.32 2.85 -1.26 -4.80 115.26 122.05 1k27 n ASN 73 Ca 0.05 -2.97 0.04 0.00 -0.11 0.00 0.00 54.58 51.60 1k27 n ASN 73 Cb 0.41 -1.62 0.19 0.00 1.24 0.00 0.00 39.78 40.00 1k27 n ASN 73 CO 0.00 0.00 0.00 1.88 -2.11 0.00 0.00 177.26 177.03 1k27 h TYR 74 N 6.88 1.17 -0.30 1.20 0.05 -1.94 -0.84 116.97 123.20 1k27 h TYR 74 Ca 0.40 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 59.21 1k27 h TYR 74 Cb 0.80 -0.38 -0.01 0.00 1.01 0.00 0.00 36.73 38.15 1k27 h TYR 74 CO 1.27 0.56 0.15 1.96 -1.05 0.00 0.00 178.16 181.05 1k27 h GLN 75 N 1.10 0.42 -0.42 4.88 4.20 -1.89 -1.60 115.11 121.80 1k27 h GLN 75 Ca 0.45 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 59.05 1k27 h GLN 75 Cb 0.28 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 1k27 h GLN 75 CO -0.21 0.38 0.04 0.00 -0.67 0.00 0.00 178.83 178.38 1k27 h ALA 76 N 1.02 0.57 -0.01 3.87 0.00 -1.70 -0.48 119.26 122.52 1k27 h ALA 76 Ca 0.10 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.78 1k27 h ALA 76 Cb 0.09 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1k27 h ALA 76 CO -0.01 0.31 -0.02 -0.91 0.00 0.00 0.00 179.25 178.61 1k27 h ASN 77 N 0.57 -0.07 -0.54 0.00 2.35 -1.04 0.95 115.58 117.81 1k27 h ASN 77 Ca 0.13 0.01 -0.12 0.00 -0.55 0.00 0.00 56.30 55.77 1k27 h ASN 77 Cb 0.42 0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.80 1k27 h ASN 77 CO 0.01 -0.03 -0.11 0.40 -1.65 0.00 0.00 177.43 176.04 1k27 h ILE 78 N -0.04 1.27 -0.41 2.81 1.08 -1.28 -2.54 117.51 118.40 1k27 h ILE 78 Ca 0.01 -1.27 -0.00 0.00 -0.39 0.00 0.00 64.86 63.21 1k27 h ILE 78 Cb 0.05 0.98 -0.02 0.00 -3.07 0.00 0.00 36.82 34.77 1k27 h ILE 78 CO -0.03 0.45 0.25 -0.25 -0.69 0.00 0.00 178.15 177.88 1k27 h TRP 79 N 0.90 0.55 -0.88 1.37 2.91 -0.83 -1.20 115.95 118.75 1k27 h TRP 79 Ca 0.14 -0.00 -0.00 0.00 1.13 0.00 0.00 58.89 60.15 1k27 h TRP 79 Cb 0.69 -0.18 -0.04 0.00 -0.51 0.00 0.00 29.16 29.11 1k27 h TRP 79 CO 0.05 0.39 0.54 0.00 -1.03 0.00 0.00 178.44 178.38 1k27 h ALA 80 N 1.11 1.13 -0.48 2.65 0.00 -0.74 0.39 119.26 123.31 1k27 h ALA 80 Ca 0.15 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 1k27 h ALA 80 Cb 0.01 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 1k27 h ALA 80 CO -0.03 0.58 -0.14 -0.07 0.00 0.00 0.00 179.25 179.59 1k27 h LEU 81 N 1.22 0.95 -0.25 0.00 3.38 -1.17 -1.42 115.31 118.02 1k27 h LEU 81 Ca 0.32 -0.37 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1k27 h LEU 81 Cb -0.05 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.42 1k27 h LEU 81 CO -0.06 1.10 0.08 0.50 0.09 0.00 0.00 178.44 180.15 1k27 h LYS 82 N 0.79 0.39 -0.46 1.13 1.63 -0.91 -1.18 116.57 117.96 1k27 h LYS 82 Ca 0.12 -0.08 0.02 0.00 -0.85 0.00 0.00 60.65 59.85 1k27 h LYS 82 Cb 0.70 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 32.25 1k27 h LYS 82 CO 0.05 0.46 0.30 1.49 -3.45 0.00 0.00 179.45 178.31 1k27 h GLU 83 N 0.24 0.54 0.00 1.90 4.57 -0.80 0.10 114.58 121.14 1k27 h GLU 83 Ca 0.08 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.23 1k27 h GLU 83 Cb 0.24 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.70 1k27 h GLU 83 CO -0.00 0.36 0.00 -1.91 -1.18 0.00 0.00 179.01 176.28 1k27 n GLU 84 N -4.47 0.10 -0.04 1.92 4.07 -0.55 -4.87 120.64 116.80 1k27 n GLU 84 Ca 0.04 0.12 0.00 0.00 -0.06 0.00 0.00 57.16 57.27 1k27 n GLU 84 Cb 0.10 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 29.98 1k27 n GLU 84 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1k27 n GLY 85 N 0.61 0.98 3.73 8.31 0.00 0.36 -5.06 105.19 114.12 1k27 n GLY 85 Ca 0.07 -0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1k27 n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k27 n THR 87 N 3.22 0.88 -4.21 0.00 -2.24 -0.02 -4.68 114.28 107.24 1k27 n THR 87 Ca 0.09 -0.72 -0.16 0.00 -2.27 0.00 0.00 64.05 61.00 1k27 n THR 87 Cb 0.41 -0.32 -0.11 0.00 -2.10 0.00 0.00 70.33 68.21 1k27 n THR 87 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1k27 s HIS 88 N -2.90 1.25 -0.07 4.78 3.76 -1.01 -2.11 115.29 118.98 1k27 s HIS 88 Ca -0.09 -0.61 -0.03 0.00 -0.15 0.00 0.00 55.06 54.18 1k27 s HIS 88 Cb 0.09 -0.66 0.04 0.00 1.11 0.00 0.00 32.58 33.16 1k27 s HIS 88 CO 0.86 0.08 0.07 0.08 -0.85 0.00 0.00 174.74 174.97 1k27 s VAL 89 N -2.36 -0.09 -0.11 -0.90 1.01 0.07 0.28 120.40 118.29 1k27 s VAL 89 Ca 0.08 0.27 0.02 0.00 0.00 0.00 0.00 61.98 62.35 1k27 s VAL 89 Cb -0.03 -0.27 -0.01 0.00 0.00 0.00 0.00 36.38 36.07 1k27 s VAL 89 CO 0.02 0.07 -0.18 -0.63 0.00 0.00 0.00 175.10 174.37 1k27 s ILE 90 N 2.15 2.60 0.35 2.22 1.01 0.03 -1.59 121.20 127.98 1k27 s ILE 90 Ca 0.04 -0.83 0.06 0.00 0.00 0.00 0.00 60.65 59.93 1k27 s ILE 90 Cb -0.13 -2.05 -0.07 0.00 0.01 0.00 0.00 42.46 40.22 1k27 s ILE 90 CO -0.05 0.54 0.00 0.68 0.00 0.00 0.00 174.94 176.12 1k27 s VAL 91 N 0.33 1.71 0.09 2.92 -7.23 -0.71 -2.62 120.40 114.90 1k27 s VAL 91 Ca -0.14 -2.04 0.09 0.00 -1.81 0.00 0.00 61.98 58.07 1k27 s VAL 91 Cb -0.17 -2.81 -0.03 0.00 0.56 0.00 0.00 36.38 33.93 1k27 s VAL 91 CO 0.07 -0.07 -0.23 0.42 -0.31 0.00 0.00 175.10 174.98 1k27 s THR 92 N -2.93 1.87 -0.21 5.32 -4.23 -0.82 -0.13 115.64 114.51 1k27 s THR 92 Ca 0.34 -1.52 -0.13 0.00 -1.18 0.00 0.00 61.69 59.21 1k27 s THR 92 Cb 0.08 -1.67 0.06 0.00 1.34 0.00 0.00 72.50 72.31 1k27 s THR 92 CO 0.16 0.06 0.52 0.28 -0.54 0.00 0.00 174.62 175.11 1k27 s THR 93 N -1.04 -0.01 0.35 3.99 -1.32 -0.46 -2.91 115.64 114.24 1k27 s THR 93 Ca 0.09 0.05 -0.25 0.00 -1.21 0.00 0.00 61.69 60.36 1k27 s THR 93 Cb -0.10 -0.76 -0.10 0.00 -1.51 0.00 0.00 72.50 70.03 1k27 s THR 93 CO 0.04 0.02 0.98 0.00 -2.21 0.00 0.00 174.62 173.45 1k27 s ALA 94 N 1.31 3.18 0.15 11.08 0.00 -1.26 -0.14 121.76 136.07 1k27 s ALA 94 Ca -0.08 0.59 -0.16 0.00 0.00 0.00 0.00 51.96 52.31 1k27 s ALA 94 Cb -0.07 -3.21 0.03 0.00 0.00 0.00 0.00 23.12 19.87 1k27 s ALA 94 CO -0.13 0.05 0.43 0.00 0.00 0.00 0.00 175.76 176.10 1k27 s GLY 96 N -2.84 2.36 -0.08 0.00 0.00 0.61 -0.41 107.32 106.95 1k27 s GLY 96 Ca 0.06 -0.32 -0.17 0.00 0.00 0.00 0.00 44.72 44.29 1k27 s GLY 96 CO -0.08 -0.11 0.44 -0.45 0.00 0.00 0.00 173.10 172.90 1k27 s SER 97 N -1.86 6.71 0.00 1.64 0.15 0.15 -0.49 113.70 120.00 1k27 s SER 97 Ca 0.36 0.84 0.12 0.00 0.70 0.00 0.00 55.95 57.97 1k27 s SER 97 Cb -0.14 -2.27 0.33 0.00 -1.71 0.00 0.00 66.02 62.23 1k27 s SER 97 CO 0.19 0.11 1.28 0.18 1.20 0.00 0.00 173.24 176.19 1k27 n LEU 98 N 3.10 3.01 -3.99 3.45 4.77 0.45 -4.07 117.00 123.72 1k27 n LEU 98 Ca -0.09 -2.00 -0.21 0.00 -0.03 0.00 0.00 56.01 53.68 1k27 n LEU 98 Cb 0.52 -0.25 -0.16 0.00 -2.33 0.00 0.00 43.42 41.20 1k27 n LEU 98 CO 0.41 0.75 -0.44 -0.13 -1.33 0.00 0.00 177.39 176.66 1k27 s ARG 99 N -1.00 1.00 0.27 3.23 1.81 -1.23 -4.90 118.95 118.13 1k27 s ARG 99 Ca 0.25 -0.28 0.01 0.00 -1.72 0.00 0.00 55.73 53.99 1k27 s ARG 99 Cb 0.13 -0.93 0.55 0.00 -0.45 0.00 0.00 34.95 34.26 1k27 s ARG 99 CO 0.17 0.07 1.80 1.49 -0.68 0.00 0.00 175.30 178.16 1k27 h GLU 100 N 6.56 0.81 0.00 3.54 4.57 -1.96 -1.52 114.58 126.58 1k27 h GLU 100 Ca -0.34 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 57.79 1k27 h GLU 100 Cb 1.17 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 29.58 1k27 h GLU 100 CO 0.48 0.53 0.00 1.05 -1.18 0.00 0.00 179.01 179.90 1k27 h GLU 101 N 0.83 0.00 -4.36 1.92 9.09 -2.01 -3.37 114.58 116.68 1k27 h GLU 101 Ca 0.49 0.00 -0.74 0.00 0.05 0.00 0.00 59.36 59.16 1k27 h GLU 101 Cb 0.58 0.00 -0.22 0.00 -1.65 0.00 0.00 28.75 27.46 1k27 h GLU 101 CO -0.31 0.00 0.08 0.42 0.05 0.00 0.00 179.01 179.25 1k27 s ILE 102 N -3.41 5.10 0.29 -1.06 1.01 -0.57 -5.04 121.20 117.52 1k27 s ILE 102 Ca 0.03 -1.52 -0.10 0.00 0.00 0.00 0.00 60.65 59.06 1k27 s ILE 102 Cb 0.09 -4.47 -0.07 0.00 0.01 0.00 0.00 42.46 38.02 1k27 s ILE 102 CO 0.42 -1.07 0.63 -1.10 0.00 0.00 0.00 174.94 173.82 1k27 s GLN 103 N 1.82 3.82 0.28 2.79 -0.21 -1.26 -4.73 119.66 122.17 1k27 s GLN 103 Ca 0.12 0.36 -0.30 0.00 0.02 0.00 0.00 55.36 55.57 1k27 s GLN 103 Cb -0.21 -2.55 -0.13 0.00 1.00 0.00 0.00 33.01 31.12 1k27 s GLN 103 CO 0.01 0.20 1.33 -2.30 -2.12 0.00 0.00 175.29 172.40 1k27 n PRO 104 N -0.53 2.01 0.00 2.91 -0.02 -1.26 -0.81 135.00 137.30 1k27 n PRO 104 Ca 0.01 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 1k27 n PRO 104 Cb 0.53 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 1k27 n PRO 104 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1k27 n GLY 105 N 1.51 3.03 3.78 -1.23 0.00 0.15 -4.97 105.19 107.47 1k27 n GLY 105 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 1k27 n GLY 105 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1k27 s ASP 106 N -0.42 5.98 -0.09 1.61 1.11 0.01 -4.80 116.67 120.07 1k27 s ASP 106 Ca 0.00 2.11 -0.05 0.00 0.18 0.00 0.00 52.55 54.80 1k27 s ASP 106 Cb 0.00 -2.58 -0.04 0.00 1.07 0.00 0.00 42.92 41.37 1k27 s ASP 106 CO 0.00 -1.04 0.10 -0.63 1.18 0.00 0.00 175.17 174.78 1k27 s ILE 107 N -1.81 5.13 -0.15 0.77 1.01 -0.95 -1.50 121.20 123.71 1k27 s ILE 107 Ca 0.70 0.00 -0.00 0.00 0.00 0.00 0.00 60.65 61.35 1k27 s ILE 107 Cb -0.22 -3.25 0.03 0.00 0.01 0.00 0.00 42.46 39.04 1k27 s ILE 107 CO 0.26 0.56 -0.08 -0.69 0.00 0.00 0.00 174.94 174.98 1k27 s VAL 108 N -1.04 1.25 -1.22 2.92 1.01 0.13 -0.56 120.40 122.89 1k27 s VAL 108 Ca 0.17 -0.60 -0.13 0.00 0.00 0.00 0.00 61.98 61.42 1k27 s VAL 108 Cb -0.12 -1.32 0.17 0.00 0.00 0.00 0.00 36.38 35.11 1k27 s VAL 108 CO 0.06 0.26 1.50 -0.38 0.00 0.00 0.00 175.10 176.54 1k27 n ILE 109 N 4.84 4.28 -1.65 2.22 2.08 -0.59 -1.84 119.36 128.70 1k27 n ILE 109 Ca -0.13 -4.70 -0.41 0.00 0.56 0.00 0.00 62.75 58.07 1k27 n ILE 109 Cb 0.49 -2.45 0.02 0.00 -0.75 0.00 0.00 39.64 36.94 1k27 n ILE 109 CO 0.00 0.00 0.00 2.30 0.56 0.00 0.00 176.55 179.41 1k27 n ILE 110 N 4.36 2.68 -0.07 1.39 -5.35 -1.25 -3.86 119.36 117.25 1k27 n ILE 110 Ca 0.37 -0.50 0.00 0.00 -0.27 0.00 0.00 62.75 62.35 1k27 n ILE 110 Cb 0.42 -1.34 0.00 0.00 -1.74 0.00 0.00 39.64 36.97 1k27 n ILE 110 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 1k27 n ASP 111 N 0.19 0.30 -4.00 7.28 5.75 -0.59 -4.72 116.55 120.76 1k27 n ASP 111 Ca 0.09 -0.62 -0.10 0.00 -0.01 0.00 0.00 54.79 54.15 1k27 n ASP 111 Cb 0.40 0.50 -0.08 0.00 -1.03 0.00 0.00 41.12 40.92 1k27 n ASP 111 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 1k27 s GLN 112 N -0.50 1.10 0.07 0.11 -1.52 -1.09 -4.44 119.66 113.39 1k27 s GLN 112 Ca 0.00 -1.23 -0.06 0.00 -1.95 0.00 0.00 55.36 52.12 1k27 s GLN 112 Cb 0.00 0.35 -0.01 0.00 -0.22 0.00 0.00 33.01 33.12 1k27 s GLN 112 CO 0.00 -0.38 0.11 -0.59 -0.25 0.00 0.00 175.29 174.18 1k27 s PHE 113 N -3.98 0.28 -0.13 0.91 -0.12 -1.26 -1.07 117.98 112.61 1k27 s PHE 113 Ca 0.19 -0.75 -0.01 0.00 -0.05 0.00 0.00 56.93 56.31 1k27 s PHE 113 Cb 0.04 -0.17 0.03 0.00 -0.63 0.00 0.00 43.02 42.29 1k27 s PHE 113 CO 0.00 -0.49 -0.05 0.42 -0.05 0.00 0.00 175.22 175.06 1k27 s ILE 114 N -3.88 0.92 -0.04 -4.49 1.01 0.05 -4.87 121.20 109.91 1k27 s ILE 114 Ca 0.06 -0.33 -0.30 0.00 0.00 0.00 0.00 60.65 60.07 1k27 s ILE 114 Cb 0.06 -1.03 -0.02 0.00 0.01 0.00 0.00 42.46 41.47 1k27 s ILE 114 CO -0.11 0.25 0.99 -0.62 0.00 0.00 0.00 174.94 175.45 1k27 s ASP 115 N 1.74 7.32 -0.01 3.58 2.15 -1.26 -1.58 116.67 128.62 1k27 s ASP 115 Ca 0.03 1.62 0.01 0.00 0.43 0.00 0.00 52.55 54.64 1k27 s ASP 115 Cb -0.14 -2.57 0.01 0.00 -0.30 0.00 0.00 42.92 39.93 1k27 s ASP 115 CO -0.08 -0.33 0.76 0.54 -0.17 0.00 0.00 175.17 175.90 1k27 n ARG 116 N 4.28 1.25 -2.09 4.34 5.12 0.37 -4.92 116.66 125.02 1k27 n ARG 116 Ca 0.07 -1.03 -0.32 0.00 -1.93 0.00 0.00 57.85 54.65 1k27 n ARG 116 Cb 0.50 -0.75 -0.01 0.00 -1.16 0.00 0.00 32.46 31.05 1k27 n ARG 116 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1k27 s THR 117 N -0.54 4.56 0.00 0.55 -4.23 -1.08 -3.59 115.64 111.32 1k27 s THR 117 Ca 0.02 1.01 0.00 0.00 -1.18 0.00 0.00 61.69 61.54 1k27 s THR 117 Cb 0.01 -3.76 0.00 0.00 1.34 0.00 0.00 72.50 70.09 1k27 s THR 117 CO 0.00 -0.91 0.00 0.35 -0.54 0.00 0.00 174.62 173.52 1k27 n THR 118 N -2.24 0.00 -2.16 3.99 -2.24 -1.26 -4.89 114.28 105.48 1k27 n THR 118 Ca 0.06 -0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.62 1k27 n THR 118 Cb 0.54 0.17 0.02 0.00 -2.10 0.00 0.00 70.33 68.96 1k27 n THR 118 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1k27 n MET 119 N -0.48 3.38 -4.82 -0.78 2.81 -1.26 -5.04 117.12 110.94 1k27 n MET 119 Ca 0.00 -4.13 -0.27 0.00 -1.81 0.00 0.00 57.70 51.49 1k27 n MET 119 Cb 0.00 -2.20 -0.17 0.00 -0.71 0.00 0.00 33.22 30.15 1k27 n MET 119 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1k27 s ARG 120 N -3.61 2.21 0.20 0.03 0.52 -1.26 -5.04 118.95 112.00 1k27 s ARG 120 Ca 0.48 -0.59 -0.31 0.00 -0.52 0.00 0.00 55.73 54.79 1k27 s ARG 120 Cb 0.40 -1.75 -0.10 0.00 0.52 0.00 0.00 34.95 34.03 1k27 s ARG 120 CO 0.01 0.08 1.47 -2.14 0.02 0.00 0.00 175.30 174.74 1k27 s PRO 121 N 0.55 4.26 -0.02 3.54 0.02 -1.26 -4.90 135.00 137.20 1k27 s PRO 121 Ca -0.16 2.28 0.06 0.00 0.02 0.00 0.00 61.00 63.20 1k27 s PRO 121 Cb -0.17 -3.15 0.15 0.00 0.02 0.00 0.00 34.50 31.36 1k27 s PRO 121 CO 0.06 -0.48 1.12 1.04 -0.33 0.00 0.00 177.00 178.40 1k27 n GLN 122 N 3.14 2.81 -3.86 5.54 6.02 -1.26 -4.83 117.38 124.94 1k27 n GLN 122 Ca 0.10 -1.84 -0.11 0.00 -0.01 0.00 0.00 57.00 55.14 1k27 n GLN 122 Cb 0.40 -1.17 -0.09 0.00 1.02 0.00 0.00 30.24 30.40 1k27 n GLN 122 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1k27 s SER 123 N -1.20 0.03 0.26 1.08 0.15 -1.26 -4.43 113.70 108.32 1k27 s SER 123 Ca 0.12 -0.28 0.20 0.00 0.70 0.00 0.00 55.95 56.69 1k27 s SER 123 Cb 0.08 0.25 0.08 0.00 -1.71 0.00 0.00 66.02 64.72 1k27 s SER 123 CO 0.06 -0.47 1.26 -0.26 1.20 0.00 0.00 173.24 175.03 1k27 h PHE 124 N 3.84 0.00 -1.03 3.44 0.04 -1.95 -3.39 116.94 117.89 1k27 h PHE 124 Ca -0.31 0.00 -0.74 0.00 2.80 0.00 0.00 57.97 59.71 1k27 h PHE 124 Cb 1.19 0.00 -0.12 0.00 2.20 0.00 0.00 35.95 39.22 1k27 h PHE 124 CO 0.55 0.24 2.39 0.66 -0.60 0.00 0.00 178.31 181.54 1k27 n TYR 125 N -2.97 2.93 -0.83 -0.55 4.02 -1.26 -4.60 117.16 113.90 1k27 n TYR 125 Ca -0.00 -2.84 0.08 0.00 -0.01 0.00 0.00 57.90 55.13 1k27 n TYR 125 Cb 0.65 -2.06 0.36 0.00 -0.02 0.00 0.00 39.34 38.27 1k27 n TYR 125 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 1k27 n ASP 126 N 3.85 5.10 -1.14 7.72 5.75 -1.26 -4.64 116.55 131.93 1k27 n ASP 126 Ca 0.48 -2.79 -0.15 0.00 -0.01 0.00 0.00 54.79 52.32 1k27 n ASP 126 Cb 0.34 -0.62 -0.06 0.00 -1.03 0.00 0.00 41.12 39.74 1k27 n ASP 126 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1k27 n GLY 127 N 0.56 1.40 0.32 6.12 0.00 -1.26 -4.81 105.19 107.52 1k27 n GLY 127 Ca 0.26 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.33 1k27 n GLY 127 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1k27 n SER 128 N -1.22 1.50 -3.84 1.61 7.64 -1.26 -4.94 113.62 113.10 1k27 n SER 128 Ca -0.15 -1.25 -0.23 0.00 1.01 0.00 0.00 58.87 58.25 1k27 n SER 128 Cb 0.62 0.34 -0.17 0.00 -1.01 0.00 0.00 64.21 63.99 1k27 n SER 128 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1k27 s HIS 129 N -1.33 0.91 0.57 1.43 3.76 -1.26 -5.01 115.29 114.35 1k27 s HIS 129 Ca 0.11 -0.33 0.27 0.00 -0.15 0.00 0.00 55.06 54.96 1k27 s HIS 129 Cb 0.09 -0.89 1.54 0.00 1.11 0.00 0.00 32.58 34.44 1k27 s HIS 129 CO 0.25 -0.35 2.06 0.66 -0.85 0.00 0.00 174.74 176.51 1k27 h SER 130 N 8.02 0.00 0.67 1.40 4.64 -1.99 -0.10 113.55 126.20 1k27 h SER 130 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1k27 h SER 130 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 1k27 h SER 130 CO 0.34 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.30 1k27 s ALA 132 N -3.63 1.27 0.06 0.00 0.00 -0.05 -5.13 121.76 114.29 1k27 s ALA 132 Ca 0.01 -2.23 -0.05 0.00 0.00 0.00 0.00 51.96 49.69 1k27 s ALA 132 Cb 0.09 -1.62 -0.05 0.00 0.00 0.00 0.00 23.12 21.54 1k27 s ALA 132 CO 0.44 -2.04 0.30 1.03 0.00 0.00 0.00 175.76 175.49 1k27 s ARG 133 N 0.48 3.58 0.03 0.00 0.52 -1.25 -4.43 118.95 117.88 1k27 s ARG 133 Ca 0.26 -0.13 0.00 0.00 -0.52 0.00 0.00 55.73 55.33 1k27 s ARG 133 Cb -0.09 -3.00 0.00 0.00 0.52 0.00 0.00 34.95 32.38 1k27 s ARG 133 CO -0.10 0.58 0.00 0.41 0.02 0.00 0.00 175.30 176.21 1k27 n GLY 134 N 0.64 -2.50 3.37 -3.53 0.00 -1.26 -4.87 105.19 97.03 1k27 n GLY 134 Ca -0.07 -2.05 -0.35 0.00 0.00 0.00 0.00 46.02 43.55 1k27 n GLY 134 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k27 s VAL 135 N -0.31 3.71 -0.21 1.61 1.01 -0.69 -4.60 120.40 120.92 1k27 s VAL 135 Ca 0.00 -0.38 -0.06 0.00 0.00 0.00 0.00 61.98 61.54 1k27 s VAL 135 Cb 0.00 -2.70 -0.03 0.00 0.00 0.00 0.00 36.38 33.66 1k27 s VAL 135 CO 0.00 0.40 0.02 0.00 0.00 0.00 0.00 175.10 175.52 1k27 s HIS 137 N 1.11 3.50 0.17 0.00 3.76 -0.42 -4.98 115.29 118.42 1k27 s HIS 137 Ca 0.03 -3.10 -0.30 0.00 -0.15 0.00 0.00 55.06 51.54 1k27 s HIS 137 Cb -0.14 -2.96 -0.08 0.00 1.11 0.00 0.00 32.58 30.51 1k27 s HIS 137 CO 0.02 -0.70 1.14 -1.50 -0.85 0.00 0.00 174.74 172.85 1k27 s ILE 138 N -0.83 3.78 0.40 0.60 1.10 -1.26 -4.78 121.20 120.21 1k27 s ILE 138 Ca 0.22 1.50 -0.25 0.00 -0.51 0.00 0.00 60.65 61.61 1k27 s ILE 138 Cb -0.14 -3.96 -0.08 0.00 0.15 0.00 0.00 42.46 38.42 1k27 s ILE 138 CO -0.08 0.24 1.19 -2.84 -2.11 0.00 0.00 174.94 171.34 1k27 s PRO 139 N -0.24 4.05 -0.05 3.50 0.02 -1.26 -4.96 135.00 136.07 1k27 s PRO 139 Ca 0.51 1.89 0.07 0.00 0.02 0.00 0.00 61.00 63.49 1k27 s PRO 139 Cb -0.30 -2.70 0.11 0.00 0.02 0.00 0.00 34.50 31.63 1k27 s PRO 139 CO 0.35 -0.33 0.99 -1.33 -0.33 0.00 0.00 177.00 176.34 1k27 n MET 140 N 0.11 1.14 -0.29 5.54 2.81 -1.26 -4.80 117.12 120.36 1k27 n MET 140 Ca 0.04 -1.65 0.02 0.00 -1.81 0.00 0.00 57.70 54.30 1k27 n MET 140 Cb 0.46 -1.00 0.16 0.00 -0.71 0.00 0.00 33.22 32.13 1k27 n MET 140 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1k27 h ALA 141 N 0.00 1.17 -2.88 3.04 0.00 -2.01 -3.26 119.26 115.33 1k27 h ALA 141 Ca 0.00 0.02 -0.61 0.00 0.00 0.00 0.00 54.91 54.32 1k27 h ALA 141 Cb 1.00 -0.16 -0.40 0.00 0.00 0.00 0.00 17.79 18.22 1k27 h ALA 141 CO 0.00 0.15 -0.73 -1.21 0.00 0.00 0.00 179.25 177.45 1k27 s GLU 142 N -6.04 1.65 0.47 0.00 0.41 -1.26 -4.99 118.70 108.94 1k27 s GLU 142 Ca -0.12 -2.56 0.14 0.00 -0.41 0.00 0.00 54.97 52.01 1k27 s GLU 142 Cb 0.19 -2.54 1.08 0.00 -1.78 0.00 0.00 34.13 31.08 1k27 s GLU 142 CO 0.78 -1.26 2.07 -1.35 -0.49 0.00 0.00 175.26 175.00 1k27 h PRO 143 N 5.94 0.10 -6.29 0.39 0.11 -1.77 -3.44 132.00 127.04 1k27 h PRO 143 Ca 0.12 -0.01 -0.66 0.00 0.11 0.00 0.00 66.00 65.55 1k27 h PRO 143 Cb 0.86 -0.02 -0.14 0.00 0.11 0.00 0.00 31.00 31.81 1k27 h PRO 143 CO 0.55 0.15 -0.67 -0.06 -0.21 0.00 0.00 178.00 177.75 1k27 s PHE 144 N -4.97 2.97 -0.26 0.65 0.40 -1.26 -4.81 117.98 110.71 1k27 s PHE 144 Ca -0.05 -0.01 -0.28 0.00 -0.60 0.00 0.00 56.93 55.99 1k27 s PHE 144 Cb 0.17 -1.58 -0.04 0.00 0.51 0.00 0.00 43.02 42.07 1k27 s PHE 144 CO 0.69 0.45 1.98 0.00 0.70 0.00 0.00 175.22 179.04 1k27 h PRO 146 N 13.61 1.31 -0.44 0.00 0.13 -1.94 -2.00 132.00 142.67 1k27 h PRO 146 Ca -0.38 -0.08 -0.01 0.00 -0.87 0.00 0.00 66.00 64.66 1k27 h PRO 146 Cb 1.20 -0.30 -0.02 0.00 0.13 0.00 0.00 31.00 32.01 1k27 h PRO 146 CO 0.99 0.87 0.22 0.87 -0.23 0.00 0.00 178.00 180.73 1k27 h LYS 147 N 1.35 0.63 -0.54 0.86 6.56 -1.99 -0.36 116.57 123.07 1k27 h LYS 147 Ca 0.37 -0.09 -0.10 0.00 -1.06 0.00 0.00 60.65 59.78 1k27 h LYS 147 Cb -0.15 -0.12 -0.02 0.00 -0.57 0.00 0.00 32.23 31.38 1k27 h LYS 147 CO -0.08 0.52 -0.05 1.15 -2.06 0.00 0.00 179.45 178.93 1k27 h THR 148 N 0.57 1.27 -0.83 -0.16 2.02 -1.93 -2.59 112.91 111.25 1k27 h THR 148 Ca 0.15 -1.19 -0.02 0.00 0.77 0.00 0.00 66.41 66.13 1k27 h THR 148 Cb 0.09 0.95 -0.04 0.00 -1.74 0.00 0.00 68.15 67.41 1k27 h THR 148 CO -0.02 0.42 0.46 0.03 0.37 0.00 0.00 175.52 176.78 1k27 h ARG 149 N 0.86 1.15 -0.73 6.66 3.08 -1.11 -1.06 114.38 123.22 1k27 h ARG 149 Ca 0.15 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 1k27 h ARG 149 Cb 0.61 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 30.39 1k27 h ARG 149 CO 0.04 0.84 0.41 1.49 -1.07 0.00 0.00 179.97 181.67 1k27 h GLU 150 N 1.16 1.02 -0.49 0.04 4.81 -0.79 -0.06 114.58 120.27 1k27 h GLU 150 Ca 0.29 -0.12 -0.13 0.00 -0.13 0.00 0.00 59.36 59.27 1k27 h GLU 150 Cb 0.02 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.19 1k27 h GLU 150 CO -0.05 0.76 -0.21 0.28 -0.73 0.00 0.00 179.01 179.05 1k27 h VAL 151 N 1.01 1.27 -0.61 0.32 2.07 -1.07 -1.52 116.25 117.72 1k27 h VAL 151 Ca 0.26 -1.38 -0.02 0.00 0.82 0.00 0.00 66.70 66.37 1k27 h VAL 151 Cb 0.03 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 1k27 h VAL 151 CO -0.04 0.48 0.29 -0.07 0.02 0.00 0.00 177.57 178.25 1k27 h LEU 152 N 0.87 0.81 -0.20 2.57 3.38 -0.81 0.54 115.31 122.48 1k27 h LEU 152 Ca 0.11 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1k27 h LEU 152 Cb 0.80 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1k27 h LEU 152 CO 0.07 0.72 0.04 0.40 0.09 0.00 0.00 178.44 179.76 1k27 h ILE 153 N 0.84 1.21 -0.49 1.22 2.04 -0.86 -1.08 117.51 120.39 1k27 h ILE 153 Ca 0.21 -0.68 -0.08 0.00 1.00 0.00 0.00 64.86 65.32 1k27 h ILE 153 Cb 0.12 1.28 -0.02 0.00 -0.74 0.00 0.00 36.82 37.47 1k27 h ILE 153 CO -0.03 0.21 -0.00 -0.08 0.00 0.00 0.00 178.15 178.25 1k27 h GLU 154 N 0.13 0.83 -0.51 2.37 4.57 -1.16 -2.33 114.58 118.47 1k27 h GLU 154 Ca 0.06 -0.23 -0.12 0.00 -1.18 0.00 0.00 59.36 57.89 1k27 h GLU 154 Cb 0.28 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.76 1k27 h GLU 154 CO 0.00 0.83 -0.17 1.15 -1.18 0.00 0.00 179.01 179.64 1k27 h THR 155 N 0.77 1.27 -0.62 0.32 2.02 -0.77 -1.16 112.91 114.73 1k27 h THR 155 Ca 0.15 -1.33 -0.03 0.00 0.77 0.00 0.00 66.41 65.96 1k27 h THR 155 Cb 0.47 1.05 -0.03 0.00 -1.74 0.00 0.00 68.15 67.90 1k27 h THR 155 CO 0.02 0.46 0.26 0.00 0.37 0.00 0.00 175.52 176.63 1k27 h ALA 156 N 0.91 1.29 -0.25 6.16 0.00 -1.00 -0.96 119.26 125.42 1k27 h ALA 156 Ca 0.12 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1k27 h ALA 156 Cb 0.74 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1k27 h ALA 156 CO 0.06 0.53 0.01 -0.22 0.00 0.00 0.00 179.25 179.63 1k27 h LYS 157 N 0.89 0.43 0.00 0.00 3.64 -1.13 -0.98 116.57 119.41 1k27 h LYS 157 Ca 0.21 -0.13 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 1k27 h LYS 157 Cb 0.16 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1k27 h LYS 157 CO -0.02 0.59 -0.03 0.87 -2.27 0.00 0.00 179.45 178.59 1k27 h LYS 158 N 0.21 0.00 -0.01 1.90 1.57 -0.70 -0.20 116.57 119.33 1k27 h LYS 158 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1k27 h LYS 158 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1k27 h LYS 158 CO 0.01 0.03 -0.11 1.28 -0.57 0.00 0.00 179.45 180.09 1k27 n LEU 159 N -3.89 1.50 -1.08 2.94 4.77 -0.41 -4.95 117.00 115.88 1k27 n LEU 159 Ca -0.03 -0.48 -0.12 0.00 -0.03 0.00 0.00 56.01 55.35 1k27 n LEU 159 Cb 0.11 -0.04 -0.04 0.00 -2.33 0.00 0.00 43.42 41.13 1k27 n LEU 159 CO 0.29 0.26 -0.13 0.61 -1.33 0.00 0.00 177.39 177.09 1k27 n GLY 160 N 1.26 0.84 3.82 -0.72 0.00 -0.09 -5.00 105.19 105.30 1k27 n GLY 160 Ca 0.16 -0.43 -0.37 0.00 0.00 0.00 0.00 46.02 45.38 1k27 n GLY 160 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1k27 s LEU 161 N -3.01 4.42 -0.12 0.99 1.43 -0.45 -5.01 118.68 116.93 1k27 s LEU 161 Ca 0.00 1.28 -0.29 0.00 -1.03 0.00 0.00 54.13 54.08 1k27 s LEU 161 Cb 0.00 -3.23 -0.05 0.00 0.03 0.00 0.00 46.19 42.95 1k27 s LEU 161 CO 0.00 0.15 1.67 -0.13 0.23 0.00 0.00 176.35 178.28 1k27 s ARG 162 N -1.61 4.00 -0.08 1.70 0.52 -1.26 -4.64 118.95 117.58 1k27 s ARG 162 Ca 0.36 2.01 -0.06 0.00 -0.52 0.00 0.00 55.73 57.52 1k27 s ARG 162 Cb -0.18 -4.02 0.03 0.00 0.52 0.00 0.00 34.95 31.30 1k27 s ARG 162 CO 0.20 -1.06 0.21 0.00 0.02 0.00 0.00 175.30 174.67 1k27 s HIS 164 N 0.54 3.40 -1.48 0.00 3.76 0.27 -4.97 115.29 116.81 1k27 s HIS 164 Ca -0.04 0.36 0.22 0.00 -0.15 0.00 0.00 55.06 55.46 1k27 s HIS 164 Cb -0.05 -2.21 1.13 0.00 1.11 0.00 0.00 32.58 32.55 1k27 s HIS 164 CO -0.03 0.24 1.71 0.43 -0.85 0.00 0.00 174.74 176.24 1k27 n SER 165 N 3.66 0.00 -3.77 1.40 7.64 -1.26 -1.54 113.62 119.75 1k27 n SER 165 Ca -0.15 -0.09 -0.08 0.00 1.01 0.00 0.00 58.87 59.56 1k27 n SER 165 Cb 0.52 -0.26 -0.02 0.00 -1.01 0.00 0.00 64.21 63.44 1k27 n SER 165 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 1k27 s LYS 166 N -2.52 1.66 0.00 1.43 -2.85 -1.25 -4.81 119.74 111.41 1k27 s LYS 166 Ca 0.22 -0.89 0.00 0.00 -1.00 0.00 0.00 55.97 54.30 1k27 s LYS 166 Cb 0.15 0.60 0.00 0.00 -2.06 0.00 0.00 37.83 36.52 1k27 s LYS 166 CO 0.33 -0.75 0.00 0.41 0.10 0.00 0.00 175.35 175.43 1k27 n GLY 167 N -0.44 2.58 3.52 0.59 0.00 -1.26 -4.67 105.19 105.50 1k27 n GLY 167 Ca -0.07 -0.16 -0.38 0.00 0.00 0.00 0.00 46.02 45.41 1k27 n GLY 167 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1k27 s THR 168 N -1.26 4.90 -0.24 2.61 2.01 -1.26 -1.54 115.64 120.87 1k27 s THR 168 Ca 0.00 -0.08 -0.15 0.00 0.31 0.00 0.00 61.69 61.78 1k27 s THR 168 Cb 0.00 -3.37 -0.04 0.00 0.01 0.00 0.00 72.50 69.10 1k27 s THR 168 CO 0.00 0.21 0.35 -0.32 -0.69 0.00 0.00 174.62 174.18 1k27 s MET 169 N 1.69 4.08 -0.18 4.92 1.75 -0.23 -0.46 119.30 130.86 1k27 s MET 169 Ca 0.06 0.06 -0.14 0.00 -1.25 0.00 0.00 55.69 54.42 1k27 s MET 169 Cb -0.16 -3.60 -0.05 0.00 2.84 0.00 0.00 34.83 33.87 1k27 s MET 169 CO 0.08 -0.14 0.29 0.54 -0.65 0.00 0.00 175.02 175.14 1k27 s VAL 170 N 1.64 5.29 -0.29 10.11 0.11 -0.42 -0.77 120.40 136.09 1k27 s VAL 170 Ca 0.15 0.51 -0.07 0.00 -2.93 0.00 0.00 61.98 59.65 1k27 s VAL 170 Cb -0.15 -3.63 0.00 0.00 -1.53 0.00 0.00 36.38 31.08 1k27 s VAL 170 CO 0.08 0.35 0.08 -0.89 -3.33 0.00 0.00 175.10 171.40 1k27 s THR 171 N 0.76 4.05 0.32 5.04 2.01 -0.61 -1.61 115.64 125.60 1k27 s THR 171 Ca 0.15 -0.61 0.00 0.00 0.31 0.00 0.00 61.69 61.55 1k27 s THR 171 Cb -0.13 -3.06 -0.03 0.00 0.01 0.00 0.00 72.50 69.28 1k27 s THR 171 CO 0.04 0.11 0.51 0.27 -0.69 0.00 0.00 174.62 174.87 1k27 s ILE 172 N 1.52 5.12 0.11 1.82 -4.36 -0.12 -0.48 121.20 124.82 1k27 s ILE 172 Ca 0.03 -0.47 -0.17 0.00 -0.26 0.00 0.00 60.65 59.78 1k27 s ILE 172 Cb -0.17 -3.84 -0.05 0.00 1.25 0.00 0.00 42.46 39.65 1k27 s ILE 172 CO 0.03 -0.48 1.58 -0.08 0.24 0.00 0.00 174.94 176.22 1k27 h GLU 173 N 0.98 0.53 0.00 0.37 4.57 -1.88 -3.39 114.58 115.75 1k27 h GLU 173 Ca -0.50 -0.14 0.00 0.00 -1.18 0.00 0.00 59.36 57.54 1k27 h GLU 173 Cb 1.21 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.74 1k27 h GLU 173 CO 0.62 0.62 0.00 0.41 -1.18 0.00 0.00 179.01 179.49 1k27 n GLY 174 N -0.46 -1.57 0.00 1.92 0.00 -1.26 -4.20 105.19 99.61 1k27 n GLY 174 Ca -0.02 -1.30 0.11 0.00 0.00 0.00 0.00 46.02 44.81 1k27 n GLY 174 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1k27 n PRO 175 N -0.28 0.02 -1.87 1.61 -0.04 -1.26 -4.94 135.00 128.25 1k27 n PRO 175 Ca 0.00 0.11 -0.34 0.00 -0.04 0.00 0.00 63.50 63.23 1k27 n PRO 175 Cb 0.00 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.00 1k27 n PRO 175 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1k27 s ARG 176 N -2.98 2.83 0.78 0.54 1.70 -1.26 -5.03 118.95 115.53 1k27 s ARG 176 Ca 0.11 1.63 -0.11 0.00 -0.47 0.00 0.00 55.73 56.90 1k27 s ARG 176 Cb 0.15 -1.93 0.07 0.00 -0.57 0.00 0.00 34.95 32.67 1k27 s ARG 176 CO 0.41 -1.27 1.14 -0.06 -1.08 0.00 0.00 175.30 174.43 1k27 s PHE 177 N -1.94 2.98 0.61 5.89 0.08 -1.26 -4.97 117.98 119.37 1k27 s PHE 177 Ca 0.73 0.72 -0.14 0.00 0.12 0.00 0.00 56.93 58.36 1k27 s PHE 177 Cb -0.26 -3.39 -0.03 0.00 -0.57 0.00 0.00 43.02 38.77 1k27 s PHE 177 CO 0.37 -1.64 1.04 -1.12 -0.10 0.00 0.00 175.22 173.77 1k27 s SER 178 N -4.54 5.88 0.81 1.36 0.01 -1.26 -5.06 113.70 110.89 1k27 s SER 178 Ca 0.61 1.67 -0.11 0.00 1.31 0.00 0.00 55.95 59.42 1k27 s SER 178 Cb -0.11 -2.51 0.09 0.00 0.21 0.00 0.00 66.02 63.70 1k27 s SER 178 CO 0.48 -1.10 1.17 -0.94 0.41 0.00 0.00 173.24 173.26 1k27 s SER 179 N -3.29 4.40 0.23 2.44 1.04 -1.26 -4.86 113.70 112.40 1k27 s SER 179 Ca 0.60 0.66 -0.01 0.00 0.48 0.00 0.00 55.95 57.68 1k27 s SER 179 Cb -0.14 -1.13 0.23 0.00 0.10 0.00 0.00 66.02 65.09 1k27 s SER 179 CO 0.43 -1.94 1.60 -0.09 0.98 0.00 0.00 173.24 174.22 1k27 h ARG 180 N -1.04 0.54 -0.84 4.02 2.43 -1.97 -1.18 114.38 116.34 1k27 h ARG 180 Ca -0.45 -0.27 -0.03 0.00 -0.81 0.00 0.00 59.98 58.41 1k27 h ARG 180 Cb 1.32 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.83 1k27 h ARG 180 CO 0.62 0.85 0.39 0.00 -1.51 0.00 0.00 179.97 180.32 1k27 h ALA 181 N 1.12 1.10 -0.30 2.80 0.00 -1.96 -0.73 119.26 121.29 1k27 h ALA 181 Ca 0.04 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 1k27 h ALA 181 Cb 0.89 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1k27 h ALA 181 CO 0.08 0.67 -0.23 0.93 0.00 0.00 0.00 179.25 180.70 1k27 h GLU 182 N 1.20 0.68 -0.10 0.00 5.08 -1.88 -1.43 114.58 118.14 1k27 h GLU 182 Ca 0.29 -0.33 0.03 0.00 -1.00 0.00 0.00 59.36 58.35 1k27 h GLU 182 Cb 0.14 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 1k27 h GLU 182 CO -0.03 0.94 -0.11 1.03 -1.00 0.00 0.00 179.01 179.83 1k27 h SER 183 N 0.42 -0.34 -0.38 1.42 0.87 -0.85 0.15 113.55 114.84 1k27 h SER 183 Ca 0.06 0.07 -0.04 0.00 -1.23 0.00 0.00 61.79 60.64 1k27 h SER 183 Cb 0.78 0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.89 1k27 h SER 183 CO 0.06 -0.15 0.10 -0.26 -0.53 0.00 0.00 176.83 176.05 1k27 h PHE 184 N -0.14 0.70 -0.36 2.24 0.04 -1.13 -2.70 116.94 115.58 1k27 h PHE 184 Ca 0.07 -0.06 -0.04 0.00 2.80 0.00 0.00 57.97 60.75 1k27 h PHE 184 Cb 0.25 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 38.18 1k27 h PHE 184 CO -0.22 0.60 0.08 1.98 -0.60 0.00 0.00 178.31 180.15 1k27 h MET 185 N 0.66 0.58 -0.46 1.51 4.05 -0.33 -2.71 114.93 118.23 1k27 h MET 185 Ca 0.15 -0.15 0.00 0.00 -0.28 0.00 0.00 59.70 59.43 1k27 h MET 185 Cb 0.26 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 30.97 1k27 h MET 185 CO -0.00 0.64 0.30 0.74 0.23 0.00 0.00 176.91 178.81 1k27 h PHE 186 N 0.43 0.58 -0.64 1.39 0.04 -0.49 -1.37 116.94 116.88 1k27 h PHE 186 Ca 0.11 0.01 -0.03 0.00 2.80 0.00 0.00 57.97 60.86 1k27 h PHE 186 Cb 0.32 -0.20 -0.03 0.00 2.20 0.00 0.00 35.95 38.25 1k27 h PHE 186 CO 0.02 0.37 0.29 0.00 -0.60 0.00 0.00 178.31 178.39 1k27 h ARG 187 N 0.62 0.94 0.00 1.51 3.08 -1.19 -1.67 114.38 117.67 1k27 h ARG 187 Ca 0.17 -0.15 -0.06 0.00 0.07 0.00 0.00 59.98 60.01 1k27 h ARG 187 Cb -0.06 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.82 1k27 h ARG 187 CO -0.04 0.76 -0.27 1.79 -1.07 0.00 0.00 179.97 181.14 1k27 h THR 188 N 0.89 0.96 0.00 2.04 1.35 -0.99 -1.91 112.91 115.25 1k27 h THR 188 Ca 0.22 -1.02 0.00 0.00 -0.55 0.00 0.00 66.41 65.06 1k27 h THR 188 Cb 0.15 1.59 0.00 0.00 -1.73 0.00 0.00 68.15 68.16 1k27 h THR 188 CO -0.02 0.27 0.00 0.79 -0.25 0.00 0.00 175.52 176.30 1k27 n TRP 189 N -3.87 0.00 0.00 4.73 7.02 -0.76 -4.89 117.44 119.67 1k27 n TRP 189 Ca -0.02 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.46 1k27 n TRP 189 Cb 0.36 -0.50 0.00 0.00 -2.42 0.00 0.00 31.31 28.75 1k27 n TRP 189 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1k27 n GLY 190 N 0.92 0.85 3.77 6.99 0.00 -0.72 -5.08 105.19 111.92 1k27 n GLY 190 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 1k27 n GLY 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k27 s ALA 191 N -2.00 3.29 -0.12 4.61 0.00 -0.69 -4.66 121.76 122.19 1k27 s ALA 191 Ca 0.00 0.89 0.08 0.00 0.00 0.00 0.00 51.96 52.92 1k27 s ALA 191 Cb 0.00 -3.33 -0.13 0.00 0.00 0.00 0.00 23.12 19.66 1k27 s ALA 191 CO 0.00 -0.27 -0.01 -0.25 0.00 0.00 0.00 175.76 175.24 1k27 n ASP 192 N 0.67 2.35 -4.16 0.00 8.00 0.39 -4.51 116.55 119.29 1k27 n ASP 192 Ca 0.01 -0.02 -0.10 0.00 0.71 0.00 0.00 54.79 55.39 1k27 n ASP 192 Cb 0.46 0.51 -0.10 0.00 -0.02 0.00 0.00 41.12 41.97 1k27 n ASP 192 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1k27 s VAL 193 N -2.28 0.34 -0.01 2.53 -7.23 -0.91 -0.41 120.40 112.42 1k27 s VAL 193 Ca -0.09 -1.91 0.00 0.00 -1.81 0.00 0.00 61.98 58.17 1k27 s VAL 193 Cb 0.04 -1.91 0.01 0.00 0.56 0.00 0.00 36.38 35.08 1k27 s VAL 193 CO 0.44 -0.63 0.01 -0.51 -0.31 0.00 0.00 175.10 174.10 1k27 s ILE 194 N -3.87 -0.01 0.04 -0.62 2.07 0.36 -1.30 121.20 117.87 1k27 s ILE 194 Ca 0.19 0.10 -0.00 0.00 -1.41 0.00 0.00 60.65 59.53 1k27 s ILE 194 Cb 0.07 -0.06 0.00 0.00 0.13 0.00 0.00 42.46 42.60 1k27 s ILE 194 CO -0.01 0.05 0.06 -0.46 -1.91 0.00 0.00 174.94 172.67 1k27 n ASN 195 N 3.64 -0.17 -0.02 4.50 0.23 -0.63 -0.29 115.26 122.52 1k27 n ASN 195 Ca -0.20 -1.24 0.01 0.00 -0.53 0.00 0.00 54.58 52.62 1k27 n ASN 195 Cb 0.55 0.32 0.01 0.00 -2.08 0.00 0.00 39.78 38.58 1k27 n ASN 195 CO 0.00 0.00 0.00 0.23 -0.93 0.00 0.00 177.26 176.56 1k27 n MET 196 N -0.07 2.16 0.00 -3.83 2.81 -1.26 -0.94 117.12 115.98 1k27 n MET 196 Ca 0.00 -1.34 0.00 0.00 -1.81 0.00 0.00 57.70 54.55 1k27 n MET 196 Cb 0.07 -0.91 0.00 0.00 -0.71 0.00 0.00 33.22 31.67 1k27 n MET 196 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1k27 n THR 197 N -0.44 0.00 -0.08 2.03 -2.24 -1.26 -4.71 114.28 107.57 1k27 n THR 197 Ca 0.01 -0.17 -0.08 0.00 -2.27 0.00 0.00 64.05 61.54 1k27 n THR 197 Cb 0.34 0.77 -0.01 0.00 -2.10 0.00 0.00 70.33 69.33 1k27 n THR 197 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1k27 h THR 198 N 0.00 0.99 -3.05 4.28 2.02 -1.96 -3.37 112.91 111.82 1k27 h THR 198 Ca 0.00 -0.10 -0.61 0.00 0.77 0.00 0.00 66.41 66.46 1k27 h THR 198 Cb 0.00 0.66 -0.08 0.00 -1.74 0.00 0.00 68.15 66.99 1k27 h THR 198 CO 0.00 0.06 -0.33 -0.69 0.37 0.00 0.00 175.52 174.92 1k27 s VAL 199 N -6.17 5.28 -1.31 3.16 1.01 -1.26 -1.44 120.40 119.67 1k27 s VAL 199 Ca -0.13 0.54 0.14 0.00 0.00 0.00 0.00 61.98 62.53 1k27 s VAL 199 Cb 0.10 -3.60 0.53 0.00 0.00 0.00 0.00 36.38 33.41 1k27 s VAL 199 CO 0.70 0.50 1.40 -0.81 0.00 0.00 0.00 175.10 176.89 1k27 n PRO 200 N 2.68 2.95 -0.11 2.72 -0.04 -1.26 -4.97 135.00 136.96 1k27 n PRO 200 Ca -0.15 -2.08 -0.05 0.00 -0.04 0.00 0.00 63.50 61.18 1k27 n PRO 200 Cb 0.53 -1.70 0.01 0.00 -0.04 0.00 0.00 33.50 32.29 1k27 n PRO 200 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1k27 h GLU 201 N 3.02 -0.05 -0.22 0.54 4.81 -1.41 -0.28 114.58 121.00 1k27 h GLU 201 Ca 0.00 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 1k27 h GLU 201 Cb 1.10 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.48 1k27 h GLU 201 CO 0.16 -0.03 -0.13 -0.24 -0.73 0.00 0.00 179.01 178.04 1k27 h VAL 202 N -0.05 1.21 -0.06 0.32 3.04 -1.61 -2.10 116.25 116.99 1k27 h VAL 202 Ca 0.19 -0.91 -0.02 0.00 -1.01 0.00 0.00 66.70 64.95 1k27 h VAL 202 Cb 0.33 1.18 -0.00 0.00 -2.01 0.00 0.00 31.29 30.79 1k27 h VAL 202 CO -0.42 0.29 -0.03 0.58 -1.01 0.00 0.00 177.57 176.98 1k27 h VAL 203 N 0.34 1.32 -0.42 1.51 2.07 -1.50 -2.50 116.25 117.08 1k27 h VAL 203 Ca 0.07 -1.03 -0.07 0.00 0.82 0.00 0.00 66.70 66.49 1k27 h VAL 203 Cb 0.43 1.89 -0.02 0.00 -1.52 0.00 0.00 31.29 32.07 1k27 h VAL 203 CO 0.02 0.28 -0.02 -0.07 0.02 0.00 0.00 177.57 177.81 1k27 h LEU 204 N -0.25 0.66 -0.81 2.57 3.38 -1.03 -1.99 115.31 117.84 1k27 h LEU 204 Ca 0.01 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 1k27 h LEU 204 Cb 0.47 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 1k27 h LEU 204 CO 0.01 0.75 0.46 0.00 0.09 0.00 0.00 178.44 179.74 1k27 h ALA 205 N 1.33 1.03 -0.15 1.53 0.00 -1.36 -1.57 119.26 120.07 1k27 h ALA 205 Ca 0.13 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1k27 h ALA 205 Cb 0.44 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1k27 h ALA 205 CO 0.02 0.53 0.10 0.87 0.00 0.00 0.00 179.25 180.77 1k27 h LYS 206 N 1.12 0.21 0.00 0.00 1.79 -0.96 -1.60 116.57 117.13 1k27 h LYS 206 Ca 0.29 -0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 58.74 1k27 h LYS 206 Cb 0.01 -0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 30.61 1k27 h LYS 206 CO -0.05 0.16 -0.01 0.93 -1.08 0.00 0.00 179.45 179.41 1k27 h GLU 207 N 0.19 0.00 -0.01 3.15 5.08 -1.00 -0.48 114.58 121.51 1k27 h GLU 207 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1k27 h GLU 207 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1k27 h GLU 207 CO -0.01 0.01 0.00 0.00 -1.00 0.00 0.00 179.01 178.01 1k27 n ALA 208 N -2.54 2.64 -2.35 3.43 0.00 -0.62 -4.88 120.51 116.19 1k27 n ALA 208 Ca -0.03 -0.30 -0.13 0.00 0.00 0.00 0.00 53.44 52.98 1k27 n ALA 208 Cb 0.10 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.19 1k27 n ALA 208 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k27 n GLY 209 N 1.06 -0.14 3.79 0.00 0.00 -0.19 -5.02 105.19 104.70 1k27 n GLY 209 Ca 0.21 -0.32 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 1k27 n GLY 209 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1k27 s ILE 210 N -2.70 4.95 -0.41 -0.61 1.01 -0.66 -4.64 121.20 118.13 1k27 s ILE 210 Ca 0.04 -0.03 -0.29 0.00 0.00 0.00 0.00 60.65 60.38 1k27 s ILE 210 Cb -0.02 -3.14 0.01 0.00 0.01 0.00 0.00 42.46 39.33 1k27 s ILE 210 CO 0.05 0.59 1.33 0.00 0.00 0.00 0.00 174.94 176.91 1k27 s TYR 212 N 5.05 2.91 0.02 0.00 6.14 -1.26 -0.76 117.35 129.46 1k27 s TYR 212 Ca 0.57 -0.21 -0.03 0.00 0.64 0.00 0.00 57.07 58.04 1k27 s TYR 212 Cb -0.12 -1.79 -0.02 0.00 0.42 0.00 0.00 41.96 40.45 1k27 s TYR 212 CO 0.31 0.11 0.03 0.00 0.64 0.00 0.00 175.55 176.64 1k27 s ALA 213 N -0.26 0.04 -0.07 3.97 0.00 -0.62 -0.17 121.76 124.65 1k27 s ALA 213 Ca 0.03 -0.56 0.02 0.00 0.00 0.00 0.00 51.96 51.45 1k27 s ALA 213 Cb -0.13 0.18 0.01 0.00 0.00 0.00 0.00 23.12 23.18 1k27 s ALA 213 CO 0.03 -0.22 -0.12 0.45 0.00 0.00 0.00 175.76 175.89 1k27 s SER 214 N -1.75 1.75 -0.56 0.00 0.15 -1.26 -1.73 113.70 110.30 1k27 s SER 214 Ca -0.11 -0.29 -0.18 0.00 0.70 0.00 0.00 55.95 56.07 1k27 s SER 214 Cb -0.06 -0.81 0.11 0.00 -1.71 0.00 0.00 66.02 63.55 1k27 s SER 214 CO -0.02 0.02 0.61 -0.63 1.20 0.00 0.00 173.24 174.42 1k27 s ILE 215 N 0.72 4.98 -0.11 6.45 1.01 0.82 -3.93 121.20 131.13 1k27 s ILE 215 Ca -0.14 -1.13 -0.18 0.00 0.00 0.00 0.00 60.65 59.21 1k27 s ILE 215 Cb -0.16 -4.40 -0.04 0.00 0.01 0.00 0.00 42.46 37.87 1k27 s ILE 215 CO 0.03 -0.98 0.46 0.00 0.00 0.00 0.00 174.94 174.45 1k27 s ALA 216 N 2.26 3.49 -0.27 9.38 0.00 -0.77 -1.35 121.76 134.51 1k27 s ALA 216 Ca 0.08 -0.21 -0.02 0.00 0.00 0.00 0.00 51.96 51.81 1k27 s ALA 216 Cb -0.26 -2.62 0.03 0.00 0.00 0.00 0.00 23.12 20.28 1k27 s ALA 216 CO 0.06 0.03 -0.03 1.41 0.00 0.00 0.00 175.76 177.23 1k27 s MET 217 N 0.52 2.76 0.08 0.00 0.00 0.81 0.19 119.30 123.66 1k27 s MET 217 Ca 0.25 -1.04 -0.31 0.00 0.00 0.00 0.00 55.69 54.60 1k27 s MET 217 Cb -0.15 -3.09 -0.08 0.00 0.00 0.00 0.00 34.83 31.52 1k27 s MET 217 CO 0.10 -0.46 1.50 0.00 0.00 0.00 0.00 175.02 176.16 1k27 s ALA 218 N 1.33 3.65 -0.16 4.11 0.00 -0.56 -1.27 121.76 128.86 1k27 s ALA 218 Ca -0.01 1.13 0.02 0.00 0.00 0.00 0.00 51.96 53.10 1k27 s ALA 218 Cb -0.17 -3.61 -0.01 0.00 0.00 0.00 0.00 23.12 19.32 1k27 s ALA 218 CO -0.03 -0.86 0.22 0.25 0.00 0.00 0.00 175.76 175.34 1k27 n THR 219 N 4.36 0.00 -3.87 0.00 -2.24 0.45 0.34 114.28 113.33 1k27 n THR 219 Ca 0.14 -0.46 -0.04 0.00 -2.27 0.00 0.00 64.05 61.41 1k27 n THR 219 Cb 0.41 1.01 0.02 0.00 -2.10 0.00 0.00 70.33 69.68 1k27 n THR 219 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1k27 s ASP 220 N -0.95 0.00 -0.23 3.42 1.47 -1.24 -4.50 116.67 114.63 1k27 s ASP 220 Ca 0.01 -0.75 0.13 0.00 1.18 0.00 0.00 52.55 53.13 1k27 s ASP 220 Cb 0.02 0.56 0.54 0.00 -0.34 0.00 0.00 42.92 43.69 1k27 s ASP 220 CO 0.08 -1.10 1.47 -1.22 0.68 0.00 0.00 175.17 175.07 1k27 n TYR 221 N -0.67 1.13 0.00 2.11 4.01 -1.26 0.30 117.16 122.78 1k27 n TYR 221 Ca -0.04 -1.16 0.00 0.00 -0.16 0.00 0.00 57.90 56.54 1k27 n TYR 221 Cb 0.59 -0.41 0.00 0.00 -0.31 0.00 0.00 39.34 39.21 1k27 n TYR 221 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1k27 n ASP 222 N -0.73 0.00 -0.25 7.72 2.03 -1.26 -3.69 116.55 120.37 1k27 n ASP 222 Ca 0.27 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.58 1k27 n ASP 222 Cb 0.99 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.39 1k27 n ASP 222 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1k27 n TRP 224 N 0.00 0.00 0.54 0.00 4.27 -1.24 -4.84 117.44 116.17 1k27 n TRP 224 Ca 0.00 0.00 0.05 0.00 -3.89 0.00 0.00 57.50 53.66 1k27 n TRP 224 Cb 0.60 -0.04 -0.05 0.00 -1.36 0.00 0.00 31.31 30.46 1k27 n TRP 224 CO 0.00 0.00 0.00 0.39 -2.29 0.00 0.00 177.69 175.79 1k27 n GLU 228 N -1.04 2.96 -2.01 -2.67 -0.58 -1.26 -5.03 120.64 111.01 1k27 n GLU 228 Ca 0.21 -0.14 -0.43 0.00 -0.42 0.00 0.00 57.16 56.38 1k27 n GLU 228 Cb 0.12 -1.06 -0.03 0.00 -0.57 0.00 0.00 31.44 29.90 1k27 n GLU 228 CO 0.00 0.00 0.00 -2.00 -0.48 0.00 0.00 177.13 174.65 1k27 s GLU 229 N -1.96 3.74 0.79 3.49 2.12 -1.26 -4.97 118.70 120.65 1k27 s GLU 229 Ca 0.06 1.78 -0.12 0.00 0.36 0.00 0.00 54.97 57.04 1k27 s GLU 229 Cb 0.09 -4.09 0.07 0.00 0.26 0.00 0.00 34.13 30.46 1k27 s GLU 229 CO 0.43 -1.37 1.15 0.00 -0.54 0.00 0.00 175.26 174.93 1k27 s ALA 230 N 5.52 1.98 0.54 6.30 0.00 -1.26 -4.77 121.76 130.07 1k27 s ALA 230 Ca 0.76 0.61 -0.20 0.00 0.00 0.00 0.00 51.96 53.13 1k27 s ALA 230 Cb -0.27 -3.40 -0.05 0.00 0.00 0.00 0.00 23.12 19.39 1k27 s ALA 230 CO 0.31 -2.07 1.17 0.54 0.00 0.00 0.00 175.76 175.72 1k27 s VAL 231 N -2.45 2.94 0.16 0.00 0.11 -0.24 -5.00 120.40 115.92 1k27 s VAL 231 Ca 0.68 0.62 -0.18 0.00 -2.93 0.00 0.00 61.98 60.16 1k27 s VAL 231 Cb -0.23 -3.27 0.04 0.00 -1.53 0.00 0.00 36.38 31.39 1k27 s VAL 231 CO 0.51 -0.10 0.49 -0.94 -3.33 0.00 0.00 175.10 171.74 1k27 s SER 232 N -1.59 -0.34 0.20 3.54 1.04 -1.26 -5.03 113.70 110.26 1k27 s SER 232 Ca 0.72 -0.27 -0.11 0.00 0.48 0.00 0.00 55.95 56.77 1k27 s SER 232 Cb -0.28 0.54 0.13 0.00 0.10 0.00 0.00 66.02 66.52 1k27 s SER 232 CO 0.31 -0.95 1.86 0.58 0.98 0.00 0.00 173.24 176.03 1k27 h VAL 233 N 2.21 1.16 -0.67 5.02 2.07 -1.99 -2.06 116.25 121.99 1k27 h VAL 233 Ca -0.32 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 66.88 1k27 h VAL 233 Cb 1.27 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 1k27 h VAL 233 CO 0.41 0.17 0.42 0.44 0.02 0.00 0.00 177.57 179.03 1k27 h ASP 234 N 0.91 0.79 -0.84 0.57 3.32 -1.99 -0.79 116.42 118.39 1k27 h ASP 234 Ca 0.25 -0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.23 1k27 h ASP 234 Cb -0.09 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.22 1k27 h ASP 234 CO -0.06 0.60 0.43 -0.09 -1.72 0.00 0.00 179.24 178.40 1k27 h ARG 235 N 0.91 1.19 -0.15 3.56 9.65 -1.89 -1.29 114.38 126.36 1k27 h ARG 235 Ca 0.24 -0.16 -0.02 0.00 -1.10 0.00 0.00 59.98 58.94 1k27 h ARG 235 Cb -0.06 -0.22 -0.01 0.00 -1.39 0.00 0.00 29.97 28.29 1k27 h ARG 235 CO -0.05 0.90 0.00 0.28 2.80 0.00 0.00 179.97 183.90 1k27 h VAL 236 N 1.19 1.25 -0.47 0.20 2.07 -0.88 -2.41 116.25 117.20 1k27 h VAL 236 Ca 0.29 -0.81 -0.04 0.00 0.82 0.00 0.00 66.70 66.96 1k27 h VAL 236 Cb 0.07 1.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 1k27 h VAL 236 CO -0.04 0.24 0.12 -0.07 0.02 0.00 0.00 177.57 177.83 1k27 h LEU 237 N 0.00 0.65 -0.07 2.57 3.38 -1.01 -1.94 115.31 118.88 1k27 h LEU 237 Ca 0.04 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1k27 h LEU 237 Cb 0.36 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 1k27 h LEU 237 CO 0.01 0.64 0.02 0.50 0.09 0.00 0.00 178.44 179.69 1k27 h LYS 238 N 0.68 0.11 -0.81 1.13 3.64 -1.16 -0.94 116.57 119.22 1k27 h LYS 238 Ca 0.15 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 1k27 h LYS 238 Cb 0.25 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.01 1k27 h LYS 238 CO -0.00 0.29 0.51 1.15 -2.27 0.00 0.00 179.45 179.13 1k27 h THR 239 N -0.09 1.22 -0.67 1.00 2.02 -1.26 -1.77 112.91 113.36 1k27 h THR 239 Ca 0.02 -0.45 -0.04 0.00 0.77 0.00 0.00 66.41 66.71 1k27 h THR 239 Cb 0.23 0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 66.68 1k27 h THR 239 CO -0.00 0.22 0.24 -0.07 0.37 0.00 0.00 175.52 176.28 1k27 h LEU 240 N 1.10 0.94 -1.03 2.58 3.38 -1.24 -0.60 115.31 120.44 1k27 h LEU 240 Ca 0.29 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 58.10 1k27 h LEU 240 Cb -0.08 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.38 1k27 h LEU 240 CO -0.06 0.87 0.65 0.50 0.09 0.00 0.00 178.44 180.50 1k27 h LYS 241 N 0.95 1.26 0.00 1.13 3.64 -0.59 0.52 116.57 123.48 1k27 h LYS 241 Ca 0.22 -0.08 -0.09 0.00 -1.27 0.00 0.00 60.65 59.43 1k27 h LYS 241 Cb 0.24 -0.29 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 1k27 h LYS 241 CO -0.01 0.84 -0.43 0.93 -2.27 0.00 0.00 179.45 178.51 1k27 h GLU 242 N 1.30 0.00 -0.00 1.90 5.08 -0.88 -3.37 114.58 118.61 1k27 h GLU 242 Ca 0.37 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 1k27 h GLU 242 Cb -0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.16 1k27 h GLU 242 CO -0.10 0.43 -0.08 0.09 -1.00 0.00 0.00 179.01 178.35 1k27 n ASN 243 N -3.27 0.79 -0.34 1.42 3.02 -0.27 -4.74 115.26 111.88 1k27 n ASN 243 Ca 0.02 -0.90 0.17 0.00 -0.03 0.00 0.00 54.58 53.84 1k27 n ASN 243 Cb 0.66 0.48 0.40 0.00 -0.61 0.00 0.00 39.78 40.71 1k27 n ASN 243 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1k27 h ALA 244 N 0.69 1.89 -0.62 5.41 0.00 -0.13 -0.83 119.26 125.66 1k27 h ALA 244 Ca 0.00 0.09 0.16 0.00 0.00 0.00 0.00 54.91 55.16 1k27 h ALA 244 Cb 0.13 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1k27 h ALA 244 CO 0.00 -0.30 0.44 -2.95 0.00 0.00 0.00 179.25 176.43 1k27 h ASN 245 N 0.59 0.10 -0.01 0.00 7.08 -1.85 -2.36 115.58 119.13 1k27 h ASN 245 Ca 0.60 0.01 -0.00 0.00 -3.08 0.00 0.00 56.30 53.83 1k27 h ASN 245 Cb 1.18 -0.01 -0.00 0.00 -2.08 0.00 0.00 38.32 37.41 1k27 h ASN 245 CO -0.38 0.05 0.00 0.11 -2.08 0.00 0.00 177.43 175.14 1k27 h LYS 246 N 0.11 0.02 -0.85 4.14 1.57 -1.51 -0.72 116.57 119.33 1k27 h LYS 246 Ca 0.30 -0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 59.05 1k27 h LYS 246 Cb 1.03 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.30 1k27 h LYS 246 CO -0.03 0.19 0.43 0.00 -0.57 0.00 0.00 179.45 179.46 1k27 h ALA 247 N 0.83 1.15 -0.17 3.86 0.00 -1.56 -0.14 119.26 123.23 1k27 h ALA 247 Ca 0.00 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1k27 h ALA 247 Cb 0.18 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1k27 h ALA 247 CO -0.00 0.66 0.09 -0.22 0.00 0.00 0.00 179.25 179.77 1k27 h LYS 248 N 1.20 0.23 -0.81 0.00 3.64 -1.31 -1.21 116.57 118.32 1k27 h LYS 248 Ca 0.29 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.62 1k27 h LYS 248 Cb 0.09 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 31.83 1k27 h LYS 248 CO -0.04 0.25 0.39 0.77 -2.27 0.00 0.00 179.45 178.55 1k27 h SER 249 N 0.16 1.05 -0.24 4.20 0.02 -0.77 -1.20 113.55 116.77 1k27 h SER 249 Ca 0.06 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1k27 h SER 249 Cb 0.09 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.35 1k27 h SER 249 CO -0.01 0.89 0.15 0.25 -1.14 0.00 0.00 176.83 176.98 1k27 h LEU 250 N 1.14 0.29 -0.12 5.07 5.85 -0.78 -1.26 115.31 125.50 1k27 h LEU 250 Ca 0.28 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.96 1k27 h LEU 250 Cb 0.11 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 1k27 h LEU 250 CO -0.04 0.23 0.06 -0.07 -0.34 0.00 0.00 178.44 178.29 1k27 h LEU 251 N 0.32 0.15 -1.54 2.25 3.38 -1.01 0.12 115.31 118.98 1k27 h LEU 251 Ca 0.09 -0.10 0.03 0.00 0.09 0.00 0.00 57.88 57.99 1k27 h LEU 251 Cb -0.01 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 1k27 h LEU 251 CO -0.02 0.21 0.34 -0.07 0.09 0.00 0.00 178.44 178.99 1k27 h LEU 252 N 0.09 0.52 0.08 1.67 3.38 -1.07 -1.69 115.31 118.28 1k27 h LEU 252 Ca 0.04 -0.01 -0.30 0.00 0.09 0.00 0.00 57.88 57.71 1k27 h LEU 252 Cb 0.09 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1k27 h LEU 252 CO -0.01 0.36 -1.55 0.74 0.09 0.00 0.00 178.44 178.07 1k27 h THR 253 N 0.60 1.10 -0.04 0.22 2.02 -1.04 -3.39 112.91 112.38 1k27 h THR 253 Ca 0.21 -2.81 -0.06 0.00 0.77 0.00 0.00 66.41 64.51 1k27 h THR 253 Cb 0.07 2.66 0.00 0.00 -1.74 0.00 0.00 68.15 69.15 1k27 h THR 253 CO -0.05 0.77 -0.23 0.74 0.37 0.00 0.00 175.52 177.12 1k27 h THR 254 N 0.04 1.46 -0.74 3.16 2.02 -0.56 -3.36 112.91 114.93 1k27 h THR 254 Ca -0.24 -1.69 0.13 0.00 0.77 0.00 0.00 66.41 65.37 1k27 h THR 254 Cb 1.99 2.43 -0.09 0.00 -1.74 0.00 0.00 68.15 70.74 1k27 h THR 254 CO 0.13 0.47 0.33 0.40 0.37 0.00 0.00 175.52 177.22 1k27 h ILE 255 N -0.32 0.72 -0.35 3.11 2.04 -1.51 -0.57 117.51 120.63 1k27 h ILE 255 Ca -0.02 -0.17 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 1k27 h ILE 255 Cb 0.89 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 1k27 h ILE 255 CO 0.05 0.09 0.13 -0.65 0.00 0.00 0.00 178.15 177.77 1k27 h PRO 256 N 0.50 0.50 -0.25 2.37 0.11 -1.75 -1.20 132.00 132.28 1k27 h PRO 256 Ca 0.39 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 66.34 1k27 h PRO 256 Cb 0.54 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.54 1k27 h PRO 256 CO -0.36 0.43 -0.27 1.96 -0.21 0.00 0.00 178.00 179.55 1k27 h GLN 257 N 0.50 0.49 -0.42 1.05 1.08 -1.27 -2.67 115.11 113.85 1k27 h GLN 257 Ca 0.12 -0.19 -0.14 0.00 -1.45 0.00 0.00 58.65 56.99 1k27 h GLN 257 Cb 0.12 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 27.52 1k27 h GLN 257 CO -0.01 0.71 -0.30 0.82 -0.95 0.00 0.00 178.83 179.11 1k27 h ILE 258 N 0.43 1.27 0.00 2.54 2.04 -0.56 -2.80 117.51 120.43 1k27 h ILE 258 Ca 0.06 -1.46 0.00 0.00 1.00 0.00 0.00 64.86 64.46 1k27 h ILE 258 Cb 0.70 1.28 0.00 0.00 -0.74 0.00 0.00 36.82 38.06 1k27 h ILE 258 CO 0.05 0.49 0.00 0.61 0.00 0.00 0.00 178.15 179.31 1k27 n GLY 259 N 0.02 -0.88 0.62 5.37 0.00 -0.53 -2.58 105.19 107.21 1k27 n GLY 259 Ca -0.01 -0.05 0.06 0.00 0.00 0.00 0.00 46.02 46.01 1k27 n GLY 259 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1k27 n SER 260 N -1.42 2.70 -4.82 1.61 3.41 -1.04 -4.95 113.62 109.12 1k27 n SER 260 Ca 0.05 -1.86 -0.26 0.00 -0.26 0.00 0.00 58.87 56.54 1k27 n SER 260 Cb 0.14 -0.18 -0.04 0.00 -0.26 0.00 0.00 64.21 63.87 1k27 n SER 260 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1k27 s THR 261 N -0.99 1.89 -0.06 6.66 -4.23 -1.06 -5.08 115.64 112.75 1k27 s THR 261 Ca 0.21 -1.64 -0.20 0.00 -1.18 0.00 0.00 61.69 58.88 1k27 s THR 261 Cb 0.12 -2.53 -0.04 0.00 1.34 0.00 0.00 72.50 71.39 1k27 s THR 261 CO 0.16 0.00 0.58 -0.70 -0.54 0.00 0.00 174.62 174.12 1k27 s GLU 262 N -4.07 4.35 0.00 3.99 2.56 -1.26 -4.95 118.70 119.32 1k27 s GLU 262 Ca 0.33 0.67 0.00 0.00 0.00 0.00 0.00 54.97 55.97 1k27 s GLU 262 Cb 0.01 -3.40 0.00 0.00 2.00 0.00 0.00 34.13 32.73 1k27 s GLU 262 CO 0.19 0.21 0.15 0.91 -0.56 0.00 0.00 175.26 176.17 1k27 n TRP 263 N 3.34 0.00 -0.09 5.30 7.02 -1.26 -4.86 117.44 126.90 1k27 n TRP 263 Ca -0.05 0.00 -0.07 0.00 -1.02 0.00 0.00 57.50 56.36 1k27 n TRP 263 Cb 0.51 0.00 -0.00 0.00 -2.42 0.00 0.00 31.31 29.40 1k27 n TRP 263 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 1k27 h SER 264 N 0.00 -0.68 -0.27 -0.99 4.64 -1.99 0.12 113.55 114.37 1k27 h SER 264 Ca 0.00 0.14 -0.16 0.00 -0.47 0.00 0.00 61.79 61.31 1k27 h SER 264 Cb 0.34 0.35 -0.01 0.00 -0.31 0.00 0.00 62.40 62.77 1k27 h SER 264 CO 0.00 -0.24 -0.42 -0.08 -0.87 0.00 0.00 176.83 175.22 1k27 h GLU 265 N -0.16 0.83 -0.26 4.77 4.81 -1.99 -1.78 114.58 120.80 1k27 h GLU 265 Ca 0.17 -0.45 -0.02 0.00 -0.13 0.00 0.00 59.36 58.93 1k27 h GLU 265 Cb 0.42 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 1k27 h GLU 265 CO -0.43 1.08 0.07 1.15 -0.73 0.00 0.00 179.01 180.15 1k27 h THR 266 N 0.67 1.21 -0.09 0.32 2.02 -1.78 -1.64 112.91 113.62 1k27 h THR 266 Ca 0.05 -0.67 -0.11 0.00 0.77 0.00 0.00 66.41 66.45 1k27 h THR 266 Cb 0.99 1.16 -0.01 0.00 -1.74 0.00 0.00 68.15 68.55 1k27 h THR 266 CO 0.10 0.22 -0.46 -0.07 0.37 0.00 0.00 175.52 175.67 1k27 h LEU 267 N 0.25 0.23 -0.44 2.58 3.38 -0.82 -2.70 115.31 117.79 1k27 h LEU 267 Ca 0.08 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1k27 h LEU 267 Cb 0.26 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 1k27 h LEU 267 CO -0.00 0.66 0.11 -0.74 0.09 0.00 0.00 178.44 178.55 1k27 h HIS 268 N 0.17 0.74 -0.70 1.13 2.76 -1.12 -1.08 115.15 117.06 1k27 h HIS 268 Ca 0.01 -0.09 -0.07 0.00 -2.20 0.00 0.00 60.37 58.02 1k27 h HIS 268 Cb 0.88 -0.21 -0.03 0.00 1.55 0.00 0.00 27.41 29.61 1k27 h HIS 268 CO 0.01 0.69 0.15 -0.91 -1.30 0.00 0.00 177.93 176.58 1k27 h ASN 269 N 0.58 1.08 -0.18 3.26 -0.26 -1.20 -1.61 115.58 117.24 1k27 h ASN 269 Ca 0.14 -0.24 -0.09 0.00 -0.56 0.00 0.00 56.30 55.54 1k27 h ASN 269 Cb 0.32 -0.28 -0.02 0.00 -1.06 0.00 0.00 38.32 37.28 1k27 h ASN 269 CO 0.00 1.04 -0.19 -0.07 -1.06 0.00 0.00 177.43 177.15 1k27 h LEU 270 N 1.06 0.60 -0.08 1.61 3.38 -1.34 -1.09 115.31 119.46 1k27 h LEU 270 Ca 0.22 -0.19 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1k27 h LEU 270 Cb 0.40 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 1k27 h LEU 270 CO 0.01 0.80 0.04 0.50 0.09 0.00 0.00 178.44 179.87 1k27 h LYS 271 N 0.54 0.11 -0.27 1.13 3.64 -0.80 -2.01 116.57 118.91 1k27 h LYS 271 Ca 0.09 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 1k27 h LYS 271 Cb 0.63 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.42 1k27 h LYS 271 CO 0.04 0.21 0.13 -0.91 -2.27 0.00 0.00 179.45 176.65 1k27 h ASN 272 N -0.01 0.36 -0.63 4.20 -0.26 -1.12 -0.83 115.58 117.29 1k27 h ASN 272 Ca 0.03 -0.13 0.06 0.00 -0.56 0.00 0.00 56.30 55.69 1k27 h ASN 272 Cb 0.13 -0.09 -0.05 0.00 -1.06 0.00 0.00 38.32 37.25 1k27 h ASN 272 CO -0.00 0.39 0.34 -0.03 -1.06 0.00 0.00 177.43 177.07 1k27 h MET 273 N 0.30 0.61 -0.25 0.81 4.05 -1.15 0.69 114.93 120.00 1k27 h MET 273 Ca 0.09 -0.04 -0.04 0.00 -0.28 0.00 0.00 59.70 59.44 1k27 h MET 273 Cb 0.13 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 30.79 1k27 h MET 273 CO -0.01 0.40 0.00 0.00 0.23 0.00 0.00 176.91 177.53 1k27 h ALA 274 N 1.34 0.33 0.03 0.39 0.00 -1.22 -2.85 119.26 117.28 1k27 h ALA 274 Ca 0.29 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1k27 h ALA 274 Cb 0.19 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1k27 h ALA 274 CO -0.19 0.06 -0.02 0.37 0.00 0.00 0.00 179.25 179.48 1k27 h GLN 275 N 0.21 -0.04 0.00 0.00 4.15 -0.71 -2.85 115.11 115.87 1k27 h GLN 275 Ca 0.07 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.49 1k27 h GLN 275 Cb 0.41 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.11 1k27 h GLN 275 CO 0.01 0.06 0.00 1.19 -1.93 0.00 0.00 178.83 178.16 1k27 n PHE 276 N -5.07 0.00 1.05 3.99 3.72 0.20 -2.54 117.46 118.81 1k27 n PHE 276 Ca -0.08 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.45 1k27 n PHE 276 Cb 0.09 0.00 0.33 0.00 -0.94 0.00 0.00 39.48 38.96 1k27 n PHE 276 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1k27 n SER 277 N -0.98 0.49 -4.73 4.37 7.64 -1.08 -4.86 113.62 114.48 1k27 n SER 277 Ca 0.17 -0.24 -0.38 0.00 1.01 0.00 0.00 58.87 59.43 1k27 n SER 277 Cb 0.08 0.12 -0.06 0.00 -1.01 0.00 0.00 64.21 63.34 1k27 n SER 277 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1k27 s VAL 278 N -2.91 5.16 -0.40 0.44 1.01 -1.05 -1.30 120.40 121.35 1k27 s VAL 278 Ca 0.14 0.98 -0.15 0.00 0.00 0.00 0.00 61.98 62.95 1k27 s VAL 278 Cb 0.18 -3.83 0.01 0.00 0.00 0.00 0.00 36.38 32.75 1k27 s VAL 278 CO 0.64 0.34 0.33 -0.76 0.00 0.00 0.00 175.10 175.65 1k27 s LEU 279 N 0.52 4.92 0.44 3.92 1.43 0.19 -4.93 118.68 125.18 1k27 s LEU 279 Ca 0.27 -0.73 -0.10 0.00 -1.03 0.00 0.00 54.13 52.53 1k27 s LEU 279 Cb -0.15 -2.23 -0.06 0.00 0.03 0.00 0.00 46.19 43.78 1k27 s LEU 279 CO 0.11 -0.45 0.81 -0.76 0.23 0.00 0.00 176.35 176.30 1k27 s LEU 280 N 1.83 3.74 0.00 1.79 1.02 -1.26 -1.70 118.68 124.10 1k27 s LEU 280 Ca 0.07 1.17 0.00 0.00 0.02 0.00 0.00 54.13 55.40 1k27 s LEU 280 Cb -0.18 -4.08 0.00 0.00 0.02 0.00 0.00 46.19 41.95 1k27 s LEU 280 CO 0.11 -0.48 0.43 -2.65 0.02 0.00 0.00 176.35 173.78