#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ka9 s GLU 2 N 0.00 1.76 0.28 0.03 2.56 -0.99 -4.72 118.70 117.62 2ka9 s GLU 2 Ca 0.00 -1.46 0.09 0.00 0.00 0.00 0.00 54.97 53.59 2ka9 s GLU 2 Cb 0.00 -1.96 -0.04 0.00 2.00 0.00 0.00 34.13 34.13 2ka9 s GLU 2 CO 0.00 0.40 0.09 0.71 -0.56 0.00 0.00 175.26 175.90 2ka9 s TYR 3 N -1.82 2.80 -0.29 5.30 1.51 -1.26 0.16 117.35 123.75 2ka9 s TYR 3 Ca 0.24 -0.24 -0.26 0.00 -1.01 0.00 0.00 57.07 55.80 2ka9 s TYR 3 Cb -0.08 -1.37 0.18 0.00 -0.11 0.00 0.00 41.96 40.58 2ka9 s TYR 3 CO 0.13 0.52 1.36 -2.00 -1.11 0.00 0.00 175.55 174.44 2ka9 s GLU 4 N -3.76 0.14 0.17 -0.62 2.12 -0.50 -4.88 118.70 111.37 2ka9 s GLU 4 Ca 0.34 0.15 0.07 0.00 0.36 0.00 0.00 54.97 55.88 2ka9 s GLU 4 Cb -0.06 0.07 -0.04 0.00 0.26 0.00 0.00 34.13 34.36 2ka9 s GLU 4 CO 0.22 -0.02 0.01 -1.83 -0.54 0.00 0.00 175.26 173.10 2ka9 s GLU 5 N -0.08 2.45 0.02 4.30 -1.05 -1.26 -1.39 118.70 121.68 2ka9 s GLU 5 Ca 0.07 -1.08 -0.28 0.00 -0.15 0.00 0.00 54.97 53.53 2ka9 s GLU 5 Cb -0.04 -2.39 0.10 0.00 -0.44 0.00 0.00 34.13 31.36 2ka9 s GLU 5 CO -0.13 0.46 0.84 0.42 0.95 0.00 0.00 175.26 177.80 2ka9 s ILE 6 N -1.73 0.00 -0.22 1.83 1.01 0.25 -4.98 121.20 117.36 2ka9 s ILE 6 Ca 0.28 0.00 -0.06 0.00 0.00 0.00 0.00 60.65 60.87 2ka9 s ILE 6 Cb -0.09 -1.00 -0.03 0.00 0.01 0.00 0.00 42.46 41.35 2ka9 s ILE 6 CO 0.19 0.00 0.03 0.42 0.00 0.00 0.00 174.94 175.58 2ka9 s THR 7 N -3.21 4.17 -0.51 2.92 -4.23 -1.26 0.58 115.64 114.09 2ka9 s THR 7 Ca 0.04 -0.23 0.00 0.00 -1.18 0.00 0.00 61.69 60.32 2ka9 s THR 7 Cb -0.01 -2.91 0.13 0.00 1.34 0.00 0.00 72.50 71.06 2ka9 s THR 7 CO -0.10 0.40 0.28 -0.22 -0.54 0.00 0.00 174.62 174.44 2ka9 s LEU 8 N 1.17 4.88 0.41 4.79 2.96 -0.40 -4.86 118.68 127.62 2ka9 s LEU 8 Ca 0.04 -2.65 -0.26 0.00 -0.22 0.00 0.00 54.13 51.04 2ka9 s LEU 8 Cb -0.14 -1.75 -0.08 0.00 0.50 0.00 0.00 46.19 44.71 2ka9 s LEU 8 CO 0.02 -0.36 1.27 -1.61 -1.32 0.00 0.00 176.35 174.36 2ka9 s GLU 9 N 0.23 3.96 -0.58 1.98 2.02 -1.18 -2.39 118.70 122.74 2ka9 s GLU 9 Ca 0.14 2.08 -0.27 0.00 0.02 0.00 0.00 54.97 56.95 2ka9 s GLU 9 Cb -0.22 -2.72 -0.02 0.00 0.10 0.00 0.00 34.13 31.27 2ka9 s GLU 9 CO -0.03 -0.48 1.85 1.03 0.02 0.00 0.00 175.26 177.65 2ka9 s ARG 10 N -2.27 2.71 0.57 1.61 0.52 0.31 -4.62 118.95 117.79 2ka9 s ARG 10 Ca 0.57 0.70 0.32 0.00 -0.52 0.00 0.00 55.73 56.80 2ka9 s ARG 10 Cb -0.36 -4.36 1.41 0.00 0.52 0.00 0.00 34.95 32.15 2ka9 s ARG 10 CO 0.46 -2.63 1.75 0.78 0.02 0.00 0.00 175.30 175.68 2ka9 h GLY 11 N 16.11 0.00 0.00 -3.53 0.00 -1.83 -3.44 103.07 110.38 2ka9 h GLY 11 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.06 2ka9 h GLY 11 CO 1.20 0.00 0.00 0.70 0.00 0.00 0.00 176.54 178.44 2ka9 n ASN 12 N -3.81 0.00 -1.52 0.19 5.03 -1.26 -4.93 115.26 108.97 2ka9 n ASN 12 Ca 0.18 0.00 -0.11 0.00 0.87 0.00 0.00 54.58 55.52 2ka9 n ASN 12 Cb 1.08 0.00 0.18 0.00 -1.02 0.00 0.00 39.78 40.02 2ka9 n ASN 12 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 2ka9 n SER 13 N -0.57 3.03 0.00 6.41 3.41 -1.26 -5.04 113.62 119.60 2ka9 n SER 13 Ca 0.00 -3.75 0.00 0.00 -0.26 0.00 0.00 58.87 54.86 2ka9 n SER 13 Cb 0.00 -0.70 0.00 0.00 -0.26 0.00 0.00 64.21 63.25 2ka9 n SER 13 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ka9 n GLY 14 N -1.12 0.43 0.04 5.00 0.00 -1.26 -5.00 105.19 103.28 2ka9 n GLY 14 Ca 0.42 -1.85 -0.01 0.00 0.00 0.00 0.00 46.02 44.57 2ka9 n GLY 14 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2ka9 h LEU 15 N 0.00 0.00 0.00 0.99 4.07 -1.91 -3.00 115.31 115.45 2ka9 h LEU 15 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2ka9 h LEU 15 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 2ka9 h LEU 15 CO 0.00 0.42 0.00 0.61 -1.08 0.00 0.00 178.44 178.39 2ka9 n GLY 16 N 1.77 0.55 3.23 0.83 0.00 -1.26 0.12 105.19 110.42 2ka9 n GLY 16 Ca -0.02 -0.79 -0.13 0.00 0.00 0.00 0.00 46.02 45.09 2ka9 n GLY 16 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2ka9 s PHE 17 N -0.52 -0.39 -0.07 1.61 -0.12 -1.26 -2.43 117.98 114.80 2ka9 s PHE 17 Ca 0.00 0.93 -0.30 0.00 -0.05 0.00 0.00 56.93 57.52 2ka9 s PHE 17 Cb 0.00 0.13 -0.02 0.00 -0.63 0.00 0.00 43.02 42.50 2ka9 s PHE 17 CO 0.00 -0.19 1.02 -1.12 -0.05 0.00 0.00 175.22 174.88 2ka9 s SER 18 N 0.31 7.26 0.11 1.98 0.01 0.33 -4.98 113.70 118.71 2ka9 s SER 18 Ca -0.01 1.60 0.05 0.00 1.31 0.00 0.00 55.95 58.90 2ka9 s SER 18 Cb -0.03 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 63.60 2ka9 s SER 18 CO -0.01 -0.41 -0.12 0.27 0.41 0.00 0.00 173.24 173.38 2ka9 s ILE 19 N 1.75 1.13 -0.19 1.44 -4.36 -1.26 -0.92 121.20 118.79 2ka9 s ILE 19 Ca 0.50 -1.69 -0.31 0.00 -0.26 0.00 0.00 60.65 58.90 2ka9 s ILE 19 Cb -0.20 -1.45 0.15 0.00 1.25 0.00 0.00 42.46 42.21 2ka9 s ILE 19 CO 0.21 -0.49 1.14 0.00 0.24 0.00 0.00 174.94 176.03 2ka9 s ALA 20 N -2.32 -2.01 0.00 2.27 0.00 -1.18 -4.96 121.76 113.57 2ka9 s ALA 20 Ca 0.07 1.64 0.00 0.00 0.00 0.00 0.00 51.96 53.67 2ka9 s ALA 20 Cb -0.04 -0.76 0.00 0.00 0.00 0.00 0.00 23.12 22.33 2ka9 s ALA 20 CO 0.02 -0.37 0.00 0.41 0.00 0.00 0.00 175.76 175.81 2ka9 n GLY 21 N 0.43 0.50 0.00 0.00 0.00 -1.26 -3.79 105.19 101.08 2ka9 n GLY 21 Ca -0.05 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.33 2ka9 n GLY 21 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ka9 n GLY 22 N 0.00 3.39 0.42 -0.02 0.00 -1.22 -4.28 105.19 103.47 2ka9 n GLY 22 Ca 0.00 -1.30 0.23 0.00 0.00 0.00 0.00 46.02 44.95 2ka9 n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ka9 h THR 23 N 0.00 0.43 0.11 2.61 1.03 -0.22 -0.68 112.91 116.18 2ka9 h THR 23 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 66.41 66.06 2ka9 h THR 23 Cb 0.00 0.59 -0.02 0.00 -1.07 0.00 0.00 68.15 67.65 2ka9 h THR 23 CO 0.00 0.00 -1.83 0.44 -0.01 0.00 0.00 175.52 174.12 2ka9 h ASP 24 N 0.00 0.35 -2.74 0.00 5.19 -1.84 -3.43 116.42 113.94 2ka9 h ASP 24 Ca 0.28 -0.87 -0.61 0.00 -0.62 0.00 0.00 57.03 55.21 2ka9 h ASP 24 Cb 1.35 -0.11 -0.41 0.00 0.18 0.00 0.00 39.33 40.34 2ka9 h ASP 24 CO -0.00 1.78 -0.66 -3.20 -3.12 0.00 0.00 179.24 174.04 2ka9 n ASN 25 N -3.68 2.56 -4.51 6.45 2.85 -0.40 -5.10 115.26 113.42 2ka9 n ASN 25 Ca -0.31 -3.12 -0.41 0.00 -0.11 0.00 0.00 54.58 50.63 2ka9 n ASN 25 Cb 0.98 -0.71 0.02 0.00 1.24 0.00 0.00 39.78 41.31 2ka9 n ASN 25 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 2ka9 n PRO 26 N 1.81 0.80 0.22 1.20 -0.02 -0.40 -3.44 135.00 135.17 2ka9 n PRO 26 Ca 0.24 0.29 0.13 0.00 -2.02 0.00 0.00 63.50 62.14 2ka9 n PRO 26 Cb 0.39 -1.74 0.31 0.00 -0.02 0.00 0.00 33.50 32.44 2ka9 n PRO 26 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2ka9 h HIS 27 N 0.88 0.00 0.00 6.00 -0.00 -1.80 -3.32 115.15 116.91 2ka9 h HIS 27 Ca -0.43 0.00 -0.18 0.00 -0.00 0.00 0.00 60.37 59.76 2ka9 h HIS 27 Cb 1.38 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 28.76 2ka9 h HIS 27 CO 0.37 0.00 -1.70 0.44 -0.00 0.00 0.00 177.93 177.05 2ka9 n ILE 28 N -3.00 0.70 0.00 6.26 -5.35 -1.26 -4.96 119.36 111.75 2ka9 n ILE 28 Ca 0.03 -0.38 0.00 0.00 -0.27 0.00 0.00 62.75 62.13 2ka9 n ILE 28 Cb 0.46 -0.79 0.00 0.00 -1.74 0.00 0.00 39.64 37.57 2ka9 n ILE 28 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2ka9 n GLY 29 N 2.52 1.70 1.48 3.28 0.00 -1.25 -4.97 105.19 107.95 2ka9 n GLY 29 Ca -0.18 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.84 2ka9 n GLY 29 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2ka9 n ASP 30 N 0.00 -0.18 -3.15 1.61 -0.08 -1.26 -5.05 116.55 108.45 2ka9 n ASP 30 Ca 0.00 -1.01 0.03 0.00 -1.51 0.00 0.00 54.79 52.30 2ka9 n ASP 30 Cb 0.00 0.08 -0.00 0.00 2.34 0.00 0.00 41.12 43.54 2ka9 n ASP 30 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2ka9 s ASP 31 N -0.14 -1.42 0.63 1.67 2.15 -1.26 -5.01 116.67 113.29 2ka9 s ASP 31 Ca 0.01 -0.12 0.34 0.00 0.43 0.00 0.00 52.55 53.21 2ka9 s ASP 31 Cb 0.05 1.86 1.89 0.00 -0.30 0.00 0.00 42.92 46.41 2ka9 s ASP 31 CO -0.01 -0.23 2.15 1.55 -0.17 0.00 0.00 175.17 178.46 2ka9 h PRO 32 N 7.50 0.00 -7.30 4.34 0.13 -1.85 -3.42 132.00 131.40 2ka9 h PRO 32 Ca -0.00 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.62 2ka9 h PRO 32 Cb 1.19 0.00 0.09 0.00 0.13 0.00 0.00 31.00 32.40 2ka9 h PRO 32 CO 0.10 0.00 0.37 0.45 -0.23 0.00 0.00 178.00 178.69 2ka9 s SER 33 N -5.30 5.49 0.06 1.44 0.15 -1.26 -1.74 113.70 112.54 2ka9 s SER 33 Ca -0.04 1.66 0.02 0.00 0.70 0.00 0.00 55.95 58.29 2ka9 s SER 33 Cb 0.13 -2.50 -0.04 0.00 -1.71 0.00 0.00 66.02 61.90 2ka9 s SER 33 CO 0.44 -1.37 0.12 -0.63 1.20 0.00 0.00 173.24 173.00 2ka9 s ILE 34 N -2.90 4.81 0.12 6.45 1.09 -1.26 -4.50 121.20 125.00 2ka9 s ILE 34 Ca 0.59 -0.60 -0.04 0.00 -1.10 0.00 0.00 60.65 59.50 2ka9 s ILE 34 Cb -0.14 -3.31 -0.03 0.00 -1.06 0.00 0.00 42.46 37.92 2ka9 s ILE 34 CO 0.50 0.17 0.11 0.72 -0.10 0.00 0.00 174.94 176.34 2ka9 s PHE 35 N -1.39 0.59 0.13 3.97 -0.71 -1.25 -3.32 117.98 116.00 2ka9 s PHE 35 Ca 0.30 -1.00 -0.07 0.00 -1.04 0.00 0.00 56.93 55.12 2ka9 s PHE 35 Cb -0.12 -0.30 -0.06 0.00 -1.21 0.00 0.00 43.02 41.32 2ka9 s PHE 35 CO 0.22 -0.54 0.39 0.42 -1.34 0.00 0.00 175.22 174.38 2ka9 s ILE 36 N -3.98 5.13 -0.17 -4.49 1.01 0.21 -3.12 121.20 115.79 2ka9 s ILE 36 Ca 0.16 0.19 0.09 0.00 0.00 0.00 0.00 60.65 61.09 2ka9 s ILE 36 Cb 0.06 -3.63 -0.17 0.00 0.01 0.00 0.00 42.46 38.74 2ka9 s ILE 36 CO -0.03 0.11 -0.04 0.35 0.00 0.00 0.00 174.94 175.33 2ka9 n THR 37 N 0.32 1.12 -3.58 2.92 -2.24 -0.09 -2.44 114.28 110.29 2ka9 n THR 37 Ca -0.04 -0.58 -0.10 0.00 -2.27 0.00 0.00 64.05 61.06 2ka9 n THR 37 Cb 0.52 -0.83 -0.05 0.00 -2.10 0.00 0.00 70.33 67.87 2ka9 n THR 37 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2ka9 s LYS 38 N -2.39 0.58 -0.05 -0.78 2.36 -1.25 -4.81 119.74 113.40 2ka9 s LYS 38 Ca -0.16 0.10 0.02 0.00 -2.55 0.00 0.00 55.97 53.39 2ka9 s LYS 38 Cb 0.06 0.27 -0.03 0.00 -1.05 0.00 0.00 37.83 37.08 2ka9 s LYS 38 CO 0.58 -0.19 -0.09 0.42 1.55 0.00 0.00 175.35 177.62 2ka9 s ILE 39 N -1.27 3.54 0.00 5.43 1.01 -1.26 0.12 121.20 128.77 2ka9 s ILE 39 Ca -0.01 -0.61 -0.19 0.00 0.00 0.00 0.00 60.65 59.84 2ka9 s ILE 39 Cb -0.01 -2.46 -0.06 0.00 0.01 0.00 0.00 42.46 39.95 2ka9 s ILE 39 CO 0.00 0.54 0.56 0.27 0.00 0.00 0.00 174.94 176.32 2ka9 s ILE 40 N -0.84 4.91 -1.25 2.92 -4.36 -1.02 -4.97 121.20 116.59 2ka9 s ILE 40 Ca 0.13 1.17 -0.09 0.00 -0.26 0.00 0.00 60.65 61.61 2ka9 s ILE 40 Cb -0.11 -3.89 -0.11 0.00 1.25 0.00 0.00 42.46 39.59 2ka9 s ILE 40 CO 0.03 0.45 2.94 -0.81 0.24 0.00 0.00 174.94 177.79 2ka9 n PRO 41 N 2.52 3.18 0.17 0.37 -0.04 -1.26 -3.91 135.00 136.01 2ka9 n PRO 41 Ca -0.08 -1.88 0.00 0.00 -0.04 0.00 0.00 63.50 61.50 2ka9 n PRO 41 Cb 0.51 -2.61 0.00 0.00 -0.04 0.00 0.00 33.50 31.36 2ka9 n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ka9 n GLY 42 N 3.41 -0.92 1.15 0.55 0.00 -1.26 -5.06 105.19 103.06 2ka9 n GLY 42 Ca 0.68 0.15 -0.11 0.00 0.00 0.00 0.00 46.02 46.74 2ka9 n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ka9 n GLY 43 N 0.30 -3.75 0.19 -0.02 0.00 -1.25 -4.85 105.19 95.80 2ka9 n GLY 43 Ca 0.00 -1.26 0.05 0.00 0.00 0.00 0.00 46.02 44.81 2ka9 n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ka9 h ALA 44 N -2.58 1.00 0.24 4.61 0.00 0.85 -3.24 119.26 120.15 2ka9 h ALA 44 Ca -0.14 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.42 2ka9 h ALA 44 Cb 0.48 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 2ka9 h ALA 44 CO 0.09 0.49 -0.40 0.00 0.00 0.00 0.00 179.25 179.42 2ka9 h ALA 45 N 1.61 -0.78 0.00 0.00 0.00 -0.10 0.38 119.26 120.37 2ka9 h ALA 45 Ca -0.00 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 2ka9 h ALA 45 Cb 0.90 0.64 -0.00 0.00 0.00 0.00 0.00 17.79 19.33 2ka9 h ALA 45 CO 0.05 -0.99 -0.00 0.00 0.00 0.00 0.00 179.25 178.30 2ka9 h ALA 46 N -0.27 1.78 -0.11 0.00 0.00 -1.68 0.43 119.26 119.42 2ka9 h ALA 46 Ca -0.00 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 2ka9 h ALA 46 Cb 0.69 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.48 2ka9 h ALA 46 CO -0.16 0.00 -0.26 1.96 0.00 0.00 0.00 179.25 180.79 2ka9 h GLN 47 N 0.00 0.37 -0.26 0.00 4.20 -1.24 -3.08 115.11 115.11 2ka9 h GLN 47 Ca -0.00 -0.26 -0.11 0.00 0.06 0.00 0.00 58.65 58.34 2ka9 h GLN 47 Cb 0.01 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 2ka9 h GLN 47 CO 0.00 0.86 -0.32 -0.44 -0.67 0.00 0.00 178.83 178.27 2ka9 h ASP 48 N -0.06 0.57 -4.93 1.46 5.19 0.57 -3.45 116.42 115.76 2ka9 h ASP 48 Ca -0.00 -0.22 -0.06 0.00 -0.62 0.00 0.00 57.03 56.12 2ka9 h ASP 48 Cb 0.87 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 40.20 2ka9 h ASP 48 CO 0.06 0.85 -0.10 0.61 -3.12 0.00 0.00 179.24 177.54 2ka9 n GLY 49 N -0.19 -0.02 1.02 2.75 0.00 0.14 -4.71 105.19 104.19 2ka9 n GLY 49 Ca -0.01 0.02 0.07 0.00 0.00 0.00 0.00 46.02 46.10 2ka9 n GLY 49 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2ka9 n ARG 50 N -1.29 3.05 -3.60 1.61 0.00 -1.26 -5.00 116.66 110.16 2ka9 n ARG 50 Ca -0.03 -2.90 -0.10 0.00 -0.00 0.00 0.00 57.85 54.82 2ka9 n ARG 50 Cb 0.07 -1.89 -0.03 0.00 -0.00 0.00 0.00 32.46 30.61 2ka9 n ARG 50 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.63 177.15 2ka9 s LEU 51 N -2.86 -0.25 0.24 2.89 2.34 -1.26 -5.09 118.68 114.70 2ka9 s LEU 51 Ca 0.44 -0.26 0.03 0.00 0.06 0.00 0.00 54.13 54.39 2ka9 s LEU 51 Cb 0.35 2.43 -0.03 0.00 -0.56 0.00 0.00 46.19 48.38 2ka9 s LEU 51 CO 0.09 -1.05 0.40 -0.60 -1.06 0.00 0.00 176.35 174.13 2ka9 s ARG 52 N -3.82 3.46 0.03 1.48 6.06 -1.26 -5.04 118.95 119.87 2ka9 s ARG 52 Ca 0.05 -0.57 -0.21 0.00 -2.50 0.00 0.00 55.73 52.51 2ka9 s ARG 52 Cb -0.02 -2.84 -0.16 0.00 0.06 0.00 0.00 34.95 31.99 2ka9 s ARG 52 CO -0.07 0.38 1.28 -0.39 -2.50 0.00 0.00 175.30 174.00 2ka9 h VAL 53 N 1.21 1.38 0.00 7.11 -1.51 -1.90 -3.15 116.25 119.39 2ka9 h VAL 53 Ca -0.50 -1.47 0.00 0.00 -1.23 0.00 0.00 66.70 63.50 2ka9 h VAL 53 Cb 1.22 2.06 0.00 0.00 -2.13 0.00 0.00 31.29 32.43 2ka9 h VAL 53 CO 0.63 0.43 0.00 -0.46 -1.23 0.00 0.00 177.57 176.94 2ka9 n ASN 54 N -4.51 0.00 -4.39 4.19 0.23 -1.02 0.66 115.26 110.42 2ka9 n ASN 54 Ca -0.07 -0.20 -0.29 0.00 -0.53 0.00 0.00 54.58 53.49 2ka9 n ASN 54 Cb 0.41 0.00 0.17 0.00 -2.08 0.00 0.00 39.78 38.28 2ka9 n ASN 54 CO 0.00 0.00 0.00 1.51 -0.93 0.00 0.00 177.26 177.84 2ka9 s ASP 55 N -1.94 2.98 -0.29 0.53 -4.77 -1.19 -4.80 116.67 107.19 2ka9 s ASP 55 Ca 0.04 0.65 -0.00 0.00 -3.30 0.00 0.00 52.55 49.94 2ka9 s ASP 55 Cb 0.02 -0.98 0.09 0.00 -1.09 0.00 0.00 42.92 40.96 2ka9 s ASP 55 CO 0.03 -2.85 0.06 -0.55 0.70 0.00 0.00 175.17 172.56 2ka9 s SER 56 N -4.35 3.95 -0.71 2.11 0.15 -0.88 -3.44 113.70 110.54 2ka9 s SER 56 Ca 0.68 -1.53 -0.25 0.00 0.70 0.00 0.00 55.95 55.56 2ka9 s SER 56 Cb -0.10 -0.98 -0.14 0.00 -1.71 0.00 0.00 66.02 63.10 2ka9 s SER 56 CO 0.53 -0.37 2.42 0.00 1.20 0.00 0.00 173.24 177.03 2ka9 n ILE 57 N 4.77 -0.04 0.22 6.45 3.06 -1.21 -1.85 119.36 130.77 2ka9 n ILE 57 Ca -0.04 -0.57 0.11 0.00 -2.50 0.00 0.00 62.75 59.75 2ka9 n ILE 57 Cb 0.43 -1.96 0.42 0.00 0.54 0.00 0.00 39.64 39.07 2ka9 n ILE 57 CO 0.00 0.00 0.00 0.17 -2.50 0.00 0.00 176.55 174.22 2ka9 h LEU 58 N 19.05 0.00 -7.36 9.51 -0.00 -0.17 -3.34 115.31 133.00 2ka9 h LEU 58 Ca -0.10 0.00 -0.07 0.00 -0.00 0.00 0.00 57.88 57.71 2ka9 h LEU 58 Cb 1.16 0.00 -0.16 0.00 -0.00 0.00 0.00 40.66 41.66 2ka9 h LEU 58 CO 1.18 0.18 -0.09 -0.36 -0.00 0.00 0.00 178.44 179.34 2ka9 s PHE 59 N -3.52 -0.27 -0.18 0.17 0.40 0.99 -2.85 117.98 112.71 2ka9 s PHE 59 Ca 0.02 0.21 -0.11 0.00 -0.60 0.00 0.00 56.93 56.46 2ka9 s PHE 59 Cb 0.09 0.23 0.06 0.00 0.51 0.00 0.00 43.02 43.91 2ka9 s PHE 59 CO 0.63 -0.59 0.44 0.08 0.70 0.00 0.00 175.22 176.49 2ka9 s VAL 60 N -2.60 -0.02 -1.13 -0.44 1.01 -0.67 0.15 120.40 116.70 2ka9 s VAL 60 Ca -0.04 0.07 -0.10 0.00 0.00 0.00 0.00 61.98 61.91 2ka9 s VAL 60 Cb -0.01 -0.65 0.09 0.00 0.00 0.00 0.00 36.38 35.81 2ka9 s VAL 60 CO -0.03 0.03 0.39 -3.20 0.00 0.00 0.00 175.10 172.29 2ka9 n ASN 61 N 4.13 -2.75 -1.14 3.32 2.85 -0.58 0.15 115.26 121.24 2ka9 n ASN 61 Ca -0.22 -0.36 -0.09 0.00 -0.11 0.00 0.00 54.58 53.80 2ka9 n ASN 61 Cb 0.56 -2.34 -0.00 0.00 1.24 0.00 0.00 39.78 39.24 2ka9 n ASN 61 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 2ka9 n GLU 62 N -3.50 -1.01 -5.08 1.20 0.00 -1.26 -5.02 120.64 105.97 2ka9 n GLU 62 Ca 0.01 0.44 -0.30 0.00 0.00 0.00 0.00 57.16 57.32 2ka9 n GLU 62 Cb 0.52 -4.43 -0.15 0.00 0.00 0.00 0.00 31.44 27.38 2ka9 n GLU 62 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 2ka9 s VAL 63 N -2.53 1.99 -0.24 6.31 1.01 0.39 -5.10 120.40 122.24 2ka9 s VAL 63 Ca 0.03 -1.18 -0.29 0.00 0.00 0.00 0.00 61.98 60.53 2ka9 s VAL 63 Cb -0.01 -1.68 -0.01 0.00 0.00 0.00 0.00 36.38 34.68 2ka9 s VAL 63 CO 0.03 0.46 1.41 1.51 0.00 0.00 0.00 175.10 178.52 2ka9 s ASP 64 N -0.85 6.62 -0.28 3.32 -4.77 -1.26 -1.67 116.67 117.78 2ka9 s ASP 64 Ca 0.10 1.47 0.21 0.00 -3.30 0.00 0.00 52.55 51.02 2ka9 s ASP 64 Cb -0.10 -2.54 0.49 0.00 -1.09 0.00 0.00 42.92 39.68 2ka9 s ASP 64 CO 0.00 -1.08 1.19 0.52 0.70 0.00 0.00 175.17 176.50 2ka9 n VAL 65 N 6.10 1.00 -0.27 2.11 0.31 -1.13 -4.84 118.33 121.61 2ka9 n VAL 65 Ca 0.16 -2.55 0.12 0.00 -0.01 0.00 0.00 64.34 62.06 2ka9 n VAL 65 Cb 0.46 1.21 0.31 0.00 -0.91 0.00 0.00 33.84 34.91 2ka9 n VAL 65 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 2ka9 n ARG 66 N -0.75 2.70 0.00 5.55 1.85 -1.15 -4.30 116.66 120.57 2ka9 n ARG 66 Ca 0.02 -2.61 0.00 0.00 -1.00 0.00 0.00 57.85 54.26 2ka9 n ARG 66 Cb 0.82 -1.56 0.00 0.00 -1.05 0.00 0.00 32.46 30.66 2ka9 n ARG 66 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 177.63 176.77 2ka9 n GLU 67 N 1.63 0.00 -4.26 2.89 0.28 -1.26 -4.04 120.64 115.88 2ka9 n GLU 67 Ca 0.24 0.00 -0.31 0.00 -0.16 0.00 0.00 57.16 56.93 2ka9 n GLU 67 Cb 0.62 0.00 -0.09 0.00 1.43 0.00 0.00 31.44 33.40 2ka9 n GLU 67 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 2ka9 s VAL 68 N 0.00 3.87 1.09 3.84 -7.23 -1.25 -4.56 120.40 116.17 2ka9 s VAL 68 Ca 0.00 -0.88 -0.21 0.00 -1.81 0.00 0.00 61.98 59.08 2ka9 s VAL 68 Cb 0.00 -2.77 0.04 0.00 0.56 0.00 0.00 36.38 34.21 2ka9 s VAL 68 CO 0.00 0.25 -0.34 0.35 -0.31 0.00 0.00 175.10 175.05 2ka9 n THR 69 N 1.03 0.00 -0.01 5.32 -2.24 -1.26 -1.03 114.28 116.09 2ka9 n THR 69 Ca -0.13 -0.23 -0.12 0.00 -2.27 0.00 0.00 64.05 61.31 2ka9 n THR 69 Cb 0.52 -0.47 -0.07 0.00 -2.10 0.00 0.00 70.33 68.22 2ka9 n THR 69 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 2ka9 h HIS 70 N -1.87 0.12 -0.48 4.78 2.76 -1.83 0.52 115.15 119.16 2ka9 h HIS 70 Ca -0.50 -0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 57.61 2ka9 h HIS 70 Cb 1.35 -0.04 -0.02 0.00 1.55 0.00 0.00 27.41 30.25 2ka9 h HIS 70 CO -0.01 0.26 0.07 1.03 -1.30 0.00 0.00 177.93 177.99 2ka9 h SER 71 N -0.05 0.70 0.06 3.26 0.87 -1.93 0.13 113.55 116.58 2ka9 h SER 71 Ca 0.02 -0.13 -0.15 0.00 -1.23 0.00 0.00 61.79 60.30 2ka9 h SER 71 Cb 0.19 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.96 2ka9 h SER 71 CO -0.00 0.72 -0.52 0.00 -0.53 0.00 0.00 176.83 176.50 2ka9 h ALA 72 N 1.37 0.77 -0.16 6.23 0.00 -1.85 -0.06 119.26 125.57 2ka9 h ALA 72 Ca 0.15 -0.49 -0.14 0.00 0.00 0.00 0.00 54.91 54.43 2ka9 h ALA 72 Cb 0.33 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2ka9 h ALA 72 CO 0.00 0.68 -0.44 0.00 0.00 0.00 0.00 179.25 179.49 2ka9 h ALA 73 N 1.05 0.27 -0.50 0.00 0.00 -0.46 -1.31 119.26 118.31 2ka9 h ALA 73 Ca 0.01 -0.47 -0.05 0.00 0.00 0.00 0.00 54.91 54.40 2ka9 h ALA 73 Cb 1.04 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 2ka9 h ALA 73 CO 0.09 0.40 0.09 0.28 0.00 0.00 0.00 179.25 180.11 2ka9 h VAL 74 N 0.23 1.22 -0.11 0.00 2.07 -0.70 -1.33 116.25 117.62 2ka9 h VAL 74 Ca -0.01 -0.84 -0.12 0.00 0.82 0.00 0.00 66.70 66.56 2ka9 h VAL 74 Cb 1.06 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 2ka9 h VAL 74 CO 0.09 0.30 -0.44 -0.33 0.02 0.00 0.00 177.57 177.22 2ka9 h GLU 75 N 0.74 0.27 -0.27 1.57 5.08 -0.91 0.42 114.58 121.48 2ka9 h GLU 75 Ca 0.16 -0.14 -0.10 0.00 -1.00 0.00 0.00 59.36 58.28 2ka9 h GLU 75 Cb 0.32 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 2ka9 h GLU 75 CO 0.00 0.67 -0.24 0.00 -1.00 0.00 0.00 179.01 178.44 2ka9 h ALA 76 N 1.32 0.39 0.00 3.43 0.00 -0.55 0.92 119.26 124.77 2ka9 h ALA 76 Ca 0.02 -0.37 -0.12 0.00 0.00 0.00 0.00 54.91 54.43 2ka9 h ALA 76 Cb 0.87 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 2ka9 h ALA 76 CO 0.07 0.36 -0.57 1.37 0.00 0.00 0.00 179.25 180.48 2ka9 h LEU 77 N 0.37 0.00 -0.31 0.00 8.10 -1.18 -1.45 115.31 120.84 2ka9 h LEU 77 Ca 0.05 0.00 -0.17 0.00 0.11 0.00 0.00 57.88 57.87 2ka9 h LEU 77 Cb 0.79 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 41.01 2ka9 h LEU 77 CO 0.06 0.57 -0.46 0.50 -4.11 0.00 0.00 178.44 175.00 2ka9 h LYS 78 N 0.00 0.85 -0.83 0.17 3.64 0.03 -2.94 116.57 117.49 2ka9 h LYS 78 Ca -0.01 -0.51 -0.36 0.00 -1.27 0.00 0.00 60.65 58.51 2ka9 h LYS 78 Cb 1.28 0.05 -0.21 0.00 -0.41 0.00 0.00 32.23 32.93 2ka9 h LYS 78 CO 0.07 1.14 0.43 -1.91 -2.27 0.00 0.00 179.45 176.92 2ka9 n GLU 79 N -4.08 2.88 0.08 1.90 2.13 0.30 -4.30 120.64 119.56 2ka9 n GLU 79 Ca -0.04 -3.06 0.05 0.00 0.66 0.00 0.00 57.16 54.78 2ka9 n GLU 79 Cb 0.58 -2.17 -0.03 0.00 0.27 0.00 0.00 31.44 30.09 2ka9 n GLU 79 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2ka9 h ALA 80 N 1.75 0.61 0.00 4.31 0.00 -1.07 -3.48 119.26 121.37 2ka9 h ALA 80 Ca 0.44 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2ka9 h ALA 80 Cb 2.54 0.12 0.00 0.00 0.00 0.00 0.00 17.79 20.46 2ka9 h ALA 80 CO 0.89 0.47 0.00 0.41 0.00 0.00 0.00 179.25 181.02 2ka9 n GLY 81 N 1.28 -1.79 0.09 0.00 0.00 -1.26 -4.37 105.19 99.13 2ka9 n GLY 81 Ca -0.04 -1.81 -0.17 0.00 0.00 0.00 0.00 46.02 44.00 2ka9 n GLY 81 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2ka9 h SER 82 N 0.00 0.00 -3.58 1.61 0.87 -1.96 -3.41 113.55 107.07 2ka9 h SER 82 Ca 0.00 -0.60 -0.79 0.00 -1.23 0.00 0.00 61.79 59.17 2ka9 h SER 82 Cb 0.00 0.00 -0.26 0.00 -0.44 0.00 0.00 62.40 61.70 2ka9 h SER 82 CO 0.00 1.23 0.35 -0.63 -0.53 0.00 0.00 176.83 177.25 2ka9 s ILE 83 N -2.27 5.76 -0.32 2.23 1.01 -1.26 0.12 121.20 126.47 2ka9 s ILE 83 Ca -0.23 -2.93 -0.25 0.00 0.00 0.00 0.00 60.65 57.24 2ka9 s ILE 83 Cb 0.02 -4.57 0.01 0.00 0.01 0.00 0.00 42.46 37.93 2ka9 s ILE 83 CO 0.56 -1.15 0.86 0.68 0.00 0.00 0.00 174.94 175.89 2ka9 s VAL 84 N -0.42 4.71 -1.26 2.92 -7.23 -1.01 -4.72 120.40 113.39 2ka9 s VAL 84 Ca 0.26 1.24 -0.19 0.00 -1.81 0.00 0.00 61.98 61.47 2ka9 s VAL 84 Cb -0.10 -4.23 0.03 0.00 0.56 0.00 0.00 36.38 32.64 2ka9 s VAL 84 CO -0.08 -0.35 1.78 -0.60 -0.31 0.00 0.00 175.10 175.54 2ka9 s ARG 85 N 3.17 3.57 0.06 4.82 3.52 -1.26 -1.27 118.95 131.55 2ka9 s ARG 85 Ca 0.35 -1.73 -0.25 0.00 -0.13 0.00 0.00 55.73 53.97 2ka9 s ARG 85 Cb -0.13 -5.45 -0.06 0.00 -1.56 0.00 0.00 34.95 27.75 2ka9 s ARG 85 CO 0.14 -2.73 0.76 -0.48 -0.81 0.00 0.00 175.30 172.18 2ka9 s LEU 86 N 6.11 4.47 -0.25 -0.88 0.05 0.19 -1.52 118.68 126.86 2ka9 s LEU 86 Ca 0.58 1.46 -0.00 0.00 0.05 0.00 0.00 54.13 56.21 2ka9 s LEU 86 Cb 0.03 -3.22 0.03 0.00 -2.05 0.00 0.00 46.19 40.98 2ka9 s LEU 86 CO 0.09 0.05 -0.08 -0.47 -0.55 0.00 0.00 176.35 175.38 2ka9 s TYR 87 N -0.23 3.08 0.34 3.48 6.14 0.39 -0.58 117.35 129.97 2ka9 s TYR 87 Ca 0.38 -1.74 0.06 0.00 0.64 0.00 0.00 57.07 56.41 2ka9 s TYR 87 Cb -0.21 -2.02 -0.07 0.00 0.42 0.00 0.00 41.96 40.09 2ka9 s TYR 87 CO 0.23 -0.77 0.01 0.14 0.64 0.00 0.00 175.55 175.79 2ka9 s VAL 88 N 1.27 1.58 -0.28 3.14 -7.23 -0.49 0.47 120.40 118.87 2ka9 s VAL 88 Ca -0.01 -2.04 0.02 0.00 -1.81 0.00 0.00 61.98 58.14 2ka9 s VAL 88 Cb -0.17 -2.76 0.06 0.00 0.56 0.00 0.00 36.38 34.08 2ka9 s VAL 88 CO -0.05 -0.09 -0.07 0.00 -0.31 0.00 0.00 175.10 174.58 2ka9 s MET 89 N -3.79 2.21 -0.19 4.82 0.23 -0.77 -1.41 119.30 120.40 2ka9 s MET 89 Ca 0.34 -1.38 0.01 0.00 -1.03 0.00 0.00 55.69 53.63 2ka9 s MET 89 Cb 0.08 -2.98 0.03 0.00 -1.53 0.00 0.00 34.83 30.43 2ka9 s MET 89 CO 0.15 -0.62 -0.14 0.50 -2.03 0.00 0.00 175.02 172.89 2ka9 s ARG 90 N 1.11 2.35 0.19 3.16 3.00 0.42 -2.07 118.95 127.11 2ka9 s ARG 90 Ca -0.06 -0.84 -0.30 0.00 -1.00 0.00 0.00 55.73 53.52 2ka9 s ARG 90 Cb -0.20 -2.44 -0.17 0.00 0.00 0.00 0.00 34.95 32.14 2ka9 s ARG 90 CO -0.05 -0.35 0.77 2.89 0.00 0.00 0.00 175.30 178.57 2ka9 n ARG 91 N 4.66 0.41 -3.56 5.12 1.85 -1.26 -2.34 116.66 121.54 2ka9 n ARG 91 Ca -0.17 0.14 -0.12 0.00 -1.00 0.00 0.00 57.85 56.71 2ka9 n ARG 91 Cb 0.48 -1.35 -0.04 0.00 -1.05 0.00 0.00 32.46 30.49 2ka9 n ARG 91 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 2ka9 s LYS 92 N -0.89 1.10 -0.88 2.89 1.02 -1.26 -4.64 119.74 117.08 2ka9 s LYS 92 Ca 0.68 -0.44 -0.26 0.00 0.02 0.00 0.00 55.97 55.97 2ka9 s LYS 92 Cb -0.92 0.50 -0.20 0.00 -0.52 0.00 0.00 37.83 36.68 2ka9 s LYS 92 CO 0.56 -0.43 2.53 -0.35 -0.92 0.00 0.00 175.35 176.74 2ka9 n PRO 93 N 0.02 0.26 0.00 -1.68 -0.04 -1.26 -4.67 135.00 127.63 2ka9 n PRO 93 Ca -0.17 -0.06 0.00 0.00 -0.04 0.00 0.00 63.50 63.23 2ka9 n PRO 93 Cb 0.62 -1.98 0.00 0.00 -0.04 0.00 0.00 33.50 32.11 2ka9 n PRO 93 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 2ka9 n PRO 94 N 8.10 3.16 -2.01 0.54 -0.04 -1.26 -4.88 135.00 138.60 2ka9 n PRO 94 Ca 0.59 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 64.05 2ka9 n PRO 94 Cb 0.19 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.65 2ka9 n PRO 94 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ka9 n ALA 95 N -3.00 0.00 -0.40 0.55 0.00 -1.26 -4.86 120.51 111.55 2ka9 n ALA 95 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 2ka9 n ALA 95 Cb 0.00 -0.44 -0.02 0.00 0.00 0.00 0.00 19.45 18.99 2ka9 n ALA 95 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2ka9 n GLU 96 N -0.68 -0.89 -3.32 0.00 2.13 -1.23 -4.75 120.64 111.90 2ka9 n GLU 96 Ca 0.00 0.70 0.02 0.00 0.66 0.00 0.00 57.16 58.54 2ka9 n GLU 96 Cb 0.44 -1.05 -0.04 0.00 0.27 0.00 0.00 31.44 31.07 2ka9 n GLU 96 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2ka9 s LYS 97 N -2.86 0.23 -0.43 5.31 -0.14 -1.23 -4.93 119.74 115.68 2ka9 s LYS 97 Ca 0.00 0.55 -0.27 0.00 -1.36 0.00 0.00 55.97 54.89 2ka9 s LYS 97 Cb 0.00 0.33 0.02 0.00 -1.68 0.00 0.00 37.83 36.50 2ka9 s LYS 97 CO 0.00 -0.10 1.01 0.08 -0.76 0.00 0.00 175.35 175.59 2ka9 s VAL 98 N 2.42 4.41 0.48 3.17 1.01 -1.26 -1.24 120.40 129.40 2ka9 s VAL 98 Ca -0.01 1.11 0.01 0.00 0.00 0.00 0.00 61.98 63.09 2ka9 s VAL 98 Cb -0.05 -4.47 0.01 0.00 0.00 0.00 0.00 36.38 31.87 2ka9 s VAL 98 CO -0.17 -0.79 0.70 -0.04 0.00 0.00 0.00 175.10 174.81 2ka9 s MET 99 N 3.92 2.87 -0.23 2.72 -1.94 0.24 -4.93 119.30 121.95 2ka9 s MET 99 Ca 0.42 -0.63 -0.03 0.00 -1.71 0.00 0.00 55.69 53.74 2ka9 s MET 99 Cb -0.10 -2.54 0.07 0.00 2.01 0.00 0.00 34.83 34.27 2ka9 s MET 99 CO 0.25 -0.43 0.07 -2.00 -0.01 0.00 0.00 175.02 172.91 2ka9 s GLU 100 N -4.62 0.45 0.19 2.03 2.12 -1.26 -1.10 118.70 116.51 2ka9 s GLU 100 Ca 0.52 -0.47 0.08 0.00 0.36 0.00 0.00 54.97 55.46 2ka9 s GLU 100 Cb -0.10 -1.85 -0.04 0.00 0.26 0.00 0.00 34.13 32.39 2ka9 s GLU 100 CO 0.38 -0.77 -0.04 0.42 -0.54 0.00 0.00 175.26 174.70 2ka9 s ILE 101 N 1.93 3.45 -0.18 -3.70 -1.09 0.74 -4.95 121.20 117.40 2ka9 s ILE 101 Ca 0.03 -1.59 -0.03 0.00 -2.23 0.00 0.00 60.65 56.83 2ka9 s ILE 101 Cb -0.17 -2.74 -0.02 0.00 -1.58 0.00 0.00 42.46 37.96 2ka9 s ILE 101 CO -0.16 -0.14 -0.05 -0.75 -1.23 0.00 0.00 174.94 172.60 2ka9 s LYS 102 N -2.98 3.52 -0.14 2.79 2.20 -1.26 0.12 119.74 123.98 2ka9 s LYS 102 Ca 0.27 -0.58 -0.00 0.00 -0.36 0.00 0.00 55.97 55.29 2ka9 s LYS 102 Cb -0.09 -2.91 0.03 0.00 -1.51 0.00 0.00 37.83 33.35 2ka9 s LYS 102 CO 0.17 0.07 -0.10 -1.17 -0.36 0.00 0.00 175.35 173.96 2ka9 s LEU 103 N 0.80 1.55 0.03 5.43 0.20 0.13 -3.75 118.68 123.06 2ka9 s LEU 103 Ca -0.02 -0.49 -0.08 0.00 0.69 0.00 0.00 54.13 54.23 2ka9 s LEU 103 Cb -0.15 -1.01 -0.05 0.00 -0.43 0.00 0.00 46.19 44.55 2ka9 s LEU 103 CO 0.02 -0.11 0.31 0.27 -0.29 0.00 0.00 176.35 176.54 2ka9 s ILE 104 N 1.59 5.23 0.61 6.68 -4.36 -1.26 -2.08 121.20 127.61 2ka9 s ILE 104 Ca 0.04 0.27 -0.13 0.00 -0.26 0.00 0.00 60.65 60.56 2ka9 s ILE 104 Cb -0.13 -3.59 -0.04 0.00 1.25 0.00 0.00 42.46 39.95 2ka9 s ILE 104 CO -0.09 0.35 1.03 -0.75 0.24 0.00 0.00 174.94 175.72 2ka9 s LYS 105 N -1.79 3.45 0.00 0.37 2.20 0.20 -4.55 119.74 119.63 2ka9 s LYS 105 Ca 0.29 0.95 0.00 0.00 -0.36 0.00 0.00 55.97 56.85 2ka9 s LYS 105 Cb -0.13 -2.06 0.00 0.00 -1.51 0.00 0.00 37.83 34.13 2ka9 s LYS 105 CO 0.17 -0.69 0.00 0.41 -0.36 0.00 0.00 175.35 174.88 2ka9 n GLY 106 N -1.88 4.23 0.13 5.54 0.00 0.35 -4.93 105.19 108.64 2ka9 n GLY 106 Ca 0.07 -1.86 -0.03 0.00 0.00 0.00 0.00 46.02 44.20 2ka9 n GLY 106 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ka9 h PRO 107 N 0.00 0.06 -0.66 1.61 0.13 -1.99 -2.92 132.00 128.23 2ka9 h PRO 107 Ca 0.00 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 2ka9 h PRO 107 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 2ka9 h PRO 107 CO 0.00 0.73 0.00 1.63 -0.23 0.00 0.00 178.00 180.13 2ka9 n LYS 108 N -3.74 3.78 0.00 0.86 4.76 -1.26 -5.03 118.16 117.53 2ka9 n LYS 108 Ca -0.01 -2.41 0.00 0.00 -2.87 0.00 0.00 58.31 53.02 2ka9 n LYS 108 Cb 0.68 -2.00 0.00 0.00 -1.84 0.00 0.00 35.03 31.87 2ka9 n LYS 108 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2ka9 n GLY 109 N 0.64 0.34 0.15 0.72 0.00 -1.10 -4.42 105.19 101.52 2ka9 n GLY 109 Ca 0.21 -1.81 0.11 0.00 0.00 0.00 0.00 46.02 44.53 2ka9 n GLY 109 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2ka9 h LEU 110 N 0.00 0.00 -1.55 0.99 4.07 -1.88 1.03 115.31 117.96 2ka9 h LEU 110 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2ka9 h LEU 110 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 2ka9 h LEU 110 CO 0.00 0.04 0.00 0.61 -1.08 0.00 0.00 178.44 178.01 2ka9 n GLY 111 N 1.16 0.64 3.64 0.83 0.00 -1.26 -4.17 105.19 106.03 2ka9 n GLY 111 Ca 0.01 -0.54 -0.02 0.00 0.00 0.00 0.00 46.02 45.47 2ka9 n GLY 111 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2ka9 s PHE 112 N -2.94 -0.04 -0.13 1.61 -0.71 -1.26 -3.24 117.98 111.26 2ka9 s PHE 112 Ca 0.00 0.05 0.02 0.00 -1.04 0.00 0.00 56.93 55.97 2ka9 s PHE 112 Cb 0.00 0.50 0.01 0.00 -1.21 0.00 0.00 43.02 42.31 2ka9 s PHE 112 CO 0.00 -0.05 -0.21 -1.12 -1.34 0.00 0.00 175.22 172.50 2ka9 s SER 113 N -1.48 3.21 0.07 1.98 0.01 0.26 -4.98 113.70 112.77 2ka9 s SER 113 Ca 0.10 -0.57 0.03 0.00 1.31 0.00 0.00 55.95 56.82 2ka9 s SER 113 Cb -0.01 -1.46 -0.03 0.00 0.21 0.00 0.00 66.02 64.73 2ka9 s SER 113 CO -0.05 0.10 -0.08 0.27 0.41 0.00 0.00 173.24 173.88 2ka9 s ILE 114 N 0.69 0.69 -0.17 1.44 -4.36 -1.26 0.63 121.20 118.87 2ka9 s ILE 114 Ca -0.10 -1.39 -0.07 0.00 -0.26 0.00 0.00 60.65 58.83 2ka9 s ILE 114 Cb -0.16 -1.02 0.07 0.00 1.25 0.00 0.00 42.46 42.60 2ka9 s ILE 114 CO 0.01 -0.51 0.37 0.00 0.24 0.00 0.00 174.94 175.05 2ka9 s ALA 115 N -2.06 -0.96 0.20 2.27 0.00 -0.51 -4.94 121.76 115.75 2ka9 s ALA 115 Ca -0.02 1.38 -0.05 0.00 0.00 0.00 0.00 51.96 53.28 2ka9 s ALA 115 Cb -0.05 -1.06 0.02 0.00 0.00 0.00 0.00 23.12 22.03 2ka9 s ALA 115 CO -0.01 -0.49 0.34 0.41 0.00 0.00 0.00 175.76 176.01 2ka9 n GLY 116 N 4.83 1.99 7.00 0.00 0.00 -1.23 -3.05 105.19 114.73 2ka9 n GLY 116 Ca -0.16 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.55 2ka9 n GLY 116 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ka9 n GLY 117 N -0.29 -1.90 3.83 -0.02 0.00 -0.34 -4.14 105.19 102.34 2ka9 n GLY 117 Ca -0.02 -1.36 -0.32 0.00 0.00 0.00 0.00 46.02 44.31 2ka9 n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ka9 s VAL 118 N 0.00 4.36 0.00 1.61 1.01 -1.26 -1.84 120.40 124.28 2ka9 s VAL 118 Ca 0.00 1.13 0.00 0.00 0.00 0.00 0.00 61.98 63.11 2ka9 s VAL 118 Cb 0.00 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.74 2ka9 s VAL 118 CO 0.00 -0.65 0.00 0.61 0.00 0.00 0.00 175.10 175.06 2ka9 n GLY 119 N -1.45 3.03 0.00 4.51 0.00 -1.26 -1.93 105.19 108.09 2ka9 n GLY 119 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2ka9 n GLY 119 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2ka9 n ASN 120 N 0.21 0.00 0.00 1.61 6.94 -1.25 -5.02 115.26 117.75 2ka9 n ASN 120 Ca 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 54.58 54.59 2ka9 n ASN 120 Cb 0.00 0.00 0.19 0.00 -2.36 0.00 0.00 39.78 37.61 2ka9 n ASN 120 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2ka9 n GLN 121 N 0.00 0.65 0.00 -3.83 10.64 -0.77 -3.53 117.38 120.54 2ka9 n GLN 121 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 2ka9 n GLN 121 Cb 0.00 -1.16 0.00 0.00 -0.86 0.00 0.00 30.24 28.22 2ka9 n GLN 121 CO 0.00 0.00 0.00 1.58 -1.83 0.00 0.00 177.06 176.81 2ka9 n HIS 122 N -0.66 0.00 -2.95 2.61 -0.00 -1.25 -4.19 115.22 108.79 2ka9 n HIS 122 Ca 0.05 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.34 2ka9 n HIS 122 Cb 0.02 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 29.96 2ka9 n HIS 122 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 2ka9 s ILE 123 N 0.00 4.66 -1.01 3.57 1.01 -1.26 -4.96 121.20 123.21 2ka9 s ILE 123 Ca 0.00 0.63 -0.26 0.00 0.00 0.00 0.00 60.65 61.02 2ka9 s ILE 123 Cb 0.00 -4.29 -0.23 0.00 0.01 0.00 0.00 42.46 37.95 2ka9 s ILE 123 CO 0.00 -0.63 2.05 -2.65 0.00 0.00 0.00 174.94 173.71 2ka9 n PRO 124 N 6.66 0.08 0.00 2.79 -0.02 -1.26 -1.79 135.00 141.46 2ka9 n PRO 124 Ca 0.03 -1.60 0.00 0.00 -2.02 0.00 0.00 63.50 59.91 2ka9 n PRO 124 Cb 0.48 -3.77 0.00 0.00 -0.02 0.00 0.00 33.50 30.19 2ka9 n PRO 124 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ka9 n GLY 125 N 6.03 0.92 3.02 -1.23 0.00 -1.26 -5.12 105.19 107.54 2ka9 n GLY 125 Ca 0.39 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.45 2ka9 n GLY 125 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ka9 s ASP 126 N -1.79 -0.36 0.62 1.61 1.01 -0.74 -5.01 116.67 112.01 2ka9 s ASP 126 Ca 0.00 -0.03 0.33 0.00 0.71 0.00 0.00 52.55 53.56 2ka9 s ASP 126 Cb 0.00 0.96 1.87 0.00 1.01 0.00 0.00 42.92 46.76 2ka9 s ASP 126 CO 0.00 -0.06 2.17 0.78 0.21 0.00 0.00 175.17 178.27 2ka9 h ASN 127 N 6.61 0.00 -1.60 0.27 2.35 -1.86 -3.39 115.58 117.96 2ka9 h ASN 127 Ca -0.07 0.00 -0.70 0.00 -0.55 0.00 0.00 56.30 54.98 2ka9 h ASN 127 Cb 1.20 0.00 0.05 0.00 0.05 0.00 0.00 38.32 39.61 2ka9 h ASN 127 CO -0.09 0.00 0.50 -1.20 -1.65 0.00 0.00 177.43 174.98 2ka9 n SER 128 N -3.50 1.63 -4.68 5.81 7.64 -1.26 -1.19 113.62 118.06 2ka9 n SER 128 Ca -0.01 1.12 -0.42 0.00 1.01 0.00 0.00 58.87 60.57 2ka9 n SER 128 Cb 0.23 -1.16 -0.03 0.00 -1.01 0.00 0.00 64.21 62.25 2ka9 n SER 128 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2ka9 s ILE 129 N 0.96 3.24 0.21 0.44 1.01 -1.20 -4.71 121.20 121.14 2ka9 s ILE 129 Ca 0.87 0.60 0.10 0.00 0.00 0.00 0.00 60.65 62.22 2ka9 s ILE 129 Cb -1.00 -3.39 -0.05 0.00 0.01 0.00 0.00 42.46 38.03 2ka9 s ILE 129 CO 0.51 -0.01 -0.19 -0.31 0.00 0.00 0.00 174.94 174.93 2ka9 s TYR 130 N 2.93 2.03 0.29 3.97 1.51 -1.17 -0.67 117.35 126.23 2ka9 s TYR 130 Ca 0.73 -0.43 -0.10 0.00 -1.01 0.00 0.00 57.07 56.26 2ka9 s TYR 130 Cb -0.37 -0.96 -0.07 0.00 -0.11 0.00 0.00 41.96 40.44 2ka9 s TYR 130 CO 0.31 0.47 0.62 0.08 -1.11 0.00 0.00 175.55 175.92 2ka9 s VAL 131 N -2.22 4.87 -0.04 0.71 1.01 -0.87 -1.43 120.40 122.44 2ka9 s VAL 131 Ca 0.21 0.52 -0.07 0.00 0.00 0.00 0.00 61.98 62.64 2ka9 s VAL 131 Cb -0.05 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 32.65 2ka9 s VAL 131 CO 0.09 -0.21 -0.15 0.35 0.00 0.00 0.00 175.10 175.19 2ka9 n THR 132 N -0.50 1.24 -3.76 3.92 -2.24 0.21 -3.99 114.28 109.16 2ka9 n THR 132 Ca 0.01 0.22 -0.13 0.00 -2.27 0.00 0.00 64.05 61.88 2ka9 n THR 132 Cb 0.53 -1.88 -0.09 0.00 -2.10 0.00 0.00 70.33 66.79 2ka9 n THR 132 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 2ka9 s LYS 133 N -2.36 0.61 0.00 -0.78 -2.85 -1.15 -4.80 119.74 108.41 2ka9 s LYS 133 Ca -0.13 -0.05 0.05 0.00 -1.00 0.00 0.00 55.97 54.83 2ka9 s LYS 133 Cb 0.02 0.28 -0.01 0.00 -2.06 0.00 0.00 37.83 36.05 2ka9 s LYS 133 CO 0.19 -0.16 -0.15 0.42 0.10 0.00 0.00 175.35 175.75 2ka9 s ILE 134 N -1.02 1.22 1.24 3.79 1.01 -1.26 0.93 121.20 127.11 2ka9 s ILE 134 Ca -0.11 -0.77 -0.18 0.00 0.00 0.00 0.00 60.65 59.59 2ka9 s ILE 134 Cb -0.05 -1.04 0.30 0.00 0.01 0.00 0.00 42.46 41.68 2ka9 s ILE 134 CO 0.03 0.26 1.04 -0.63 0.00 0.00 0.00 174.94 175.64 2ka9 s ILE 135 N -0.49 1.61 -0.08 2.92 -1.09 -1.20 -4.98 121.20 117.88 2ka9 s ILE 135 Ca 0.05 0.00 -0.16 0.00 -2.23 0.00 0.00 60.65 58.31 2ka9 s ILE 135 Cb -0.06 -2.30 -0.05 0.00 -1.58 0.00 0.00 42.46 38.46 2ka9 s ILE 135 CO -0.00 0.00 0.43 -0.70 -1.23 0.00 0.00 174.94 173.44 2ka9 s GLU 136 N -5.10 4.18 -1.46 2.79 -6.30 -1.26 -4.11 118.70 107.45 2ka9 s GLU 136 Ca 0.69 0.39 0.00 0.00 -2.50 0.00 0.00 54.97 53.55 2ka9 s GLU 136 Cb -0.14 -3.36 0.00 0.00 0.00 0.00 0.00 34.13 30.63 2ka9 s GLU 136 CO 0.58 0.36 0.00 0.41 0.02 0.00 0.00 175.26 176.64 2ka9 n GLY 137 N 2.75 0.44 0.00 -1.50 0.00 -1.26 -4.94 105.19 100.68 2ka9 n GLY 137 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 2ka9 n GLY 137 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ka9 n GLY 138 N -0.59 -2.42 0.11 -0.02 0.00 -1.26 -4.79 105.19 96.22 2ka9 n GLY 138 Ca -0.17 -1.36 -0.03 0.00 0.00 0.00 0.00 46.02 44.46 2ka9 n GLY 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ka9 h ALA 139 N -2.00 -0.16 -0.07 4.61 0.00 -1.84 -3.25 119.26 116.55 2ka9 h ALA 139 Ca 0.00 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 2ka9 h ALA 139 Cb 0.00 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2ka9 h ALA 139 CO 0.00 -0.15 -0.49 0.00 0.00 0.00 0.00 179.25 178.61 2ka9 h ALA 140 N -1.01 1.04 0.00 0.00 0.00 -1.80 -1.51 119.26 115.98 2ka9 h ALA 140 Ca -0.02 -0.46 0.03 0.00 0.00 0.00 0.00 54.91 54.46 2ka9 h ALA 140 Cb 0.15 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 2ka9 h ALA 140 CO 0.03 0.64 -0.27 1.25 0.00 0.00 0.00 179.25 180.90 2ka9 h HIS 141 N 0.15 -0.73 0.11 0.00 6.17 -1.84 1.68 115.15 120.69 2ka9 h HIS 141 Ca 0.01 0.02 -0.01 0.00 0.71 0.00 0.00 60.37 61.10 2ka9 h HIS 141 Cb 0.92 0.32 0.00 0.00 2.52 0.00 0.00 27.41 31.17 2ka9 h HIS 141 CO 0.01 -0.36 -0.05 0.87 0.71 0.00 0.00 177.93 179.11 2ka9 h LYS 142 N -0.41 -0.15 0.00 5.26 1.79 -1.58 -3.10 116.57 118.37 2ka9 h LYS 142 Ca 0.06 0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.54 2ka9 h LYS 142 Cb 0.50 0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.18 2ka9 h LYS 142 CO -0.23 0.34 -0.04 -0.44 -1.08 0.00 0.00 179.45 178.00 2ka9 h ASP 143 N -0.80 0.00 -0.69 0.86 5.19 -1.24 -3.37 116.42 116.37 2ka9 h ASP 143 Ca -0.02 -0.07 0.15 0.00 -0.62 0.00 0.00 57.03 56.47 2ka9 h ASP 143 Cb 0.56 0.00 -0.11 0.00 0.18 0.00 0.00 39.33 39.96 2ka9 h ASP 143 CO 0.03 0.56 0.09 1.23 -3.12 0.00 0.00 179.24 178.02 2ka9 h GLY 144 N -1.00 0.85 -0.50 2.75 0.00 0.21 -3.46 103.07 101.93 2ka9 h GLY 144 Ca -0.00 0.03 -0.21 0.00 0.00 0.00 0.00 47.33 47.14 2ka9 h GLY 144 CO -0.00 -0.21 -0.19 0.54 0.00 0.00 0.00 176.54 176.68 2ka9 n ARG 145 N -5.23 -1.16 -3.54 4.80 1.74 0.14 -4.87 116.66 108.55 2ka9 n ARG 145 Ca 0.12 0.82 -0.40 0.00 -0.77 0.00 0.00 57.85 57.63 2ka9 n ARG 145 Cb 0.42 -4.94 -0.05 0.00 -1.02 0.00 0.00 32.46 26.87 2ka9 n ARG 145 CO 0.00 0.00 0.00 -0.48 -1.52 0.00 0.00 177.63 175.63 2ka9 s LEU 146 N -2.38 5.86 1.17 0.55 2.34 -1.26 -5.07 118.68 119.90 2ka9 s LEU 146 Ca 0.00 -3.41 -0.18 0.00 0.06 0.00 0.00 54.13 50.61 2ka9 s LEU 146 Cb 0.00 -2.01 0.27 0.00 -0.56 0.00 0.00 46.19 43.89 2ka9 s LEU 146 CO 0.00 -0.29 1.09 0.00 -1.06 0.00 0.00 176.35 176.09 2ka9 s GLN 147 N -0.91 -0.98 -0.20 1.48 -2.07 -1.26 -4.71 119.66 111.00 2ka9 s GLN 147 Ca 0.25 0.10 -0.40 0.00 -1.82 0.00 0.00 55.36 53.49 2ka9 s GLN 147 Cb -0.10 -1.61 -0.16 0.00 -1.09 0.00 0.00 33.01 30.04 2ka9 s GLN 147 CO -0.09 -3.59 1.63 -0.89 -1.32 0.00 0.00 175.29 171.03 2ka9 n ILE 148 N -4.70 0.22 0.00 3.63 5.41 -1.26 -2.10 119.36 120.55 2ka9 n ILE 148 Ca 0.11 -0.04 0.00 0.00 1.00 0.00 0.00 62.75 63.82 2ka9 n ILE 148 Cb 0.59 -1.07 0.00 0.00 -0.71 0.00 0.00 39.64 38.45 2ka9 n ILE 148 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2ka9 n GLY 149 N 3.75 1.70 3.73 7.39 0.00 -1.26 -5.05 105.19 115.45 2ka9 n GLY 149 Ca 0.25 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 2ka9 n GLY 149 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2ka9 s ASP 150 N -1.37 6.58 -0.20 1.61 -4.77 -0.89 -4.73 116.67 112.91 2ka9 s ASP 150 Ca 0.00 2.67 -0.05 0.00 -3.30 0.00 0.00 52.55 51.87 2ka9 s ASP 150 Cb 0.00 -2.61 -0.03 0.00 -1.09 0.00 0.00 42.92 39.20 2ka9 s ASP 150 CO 0.00 -0.80 0.00 -1.59 0.70 0.00 0.00 175.17 173.48 2ka9 s LYS 151 N 0.53 3.64 -0.15 2.11 -2.85 -1.26 -2.05 119.74 119.71 2ka9 s LYS 151 Ca 0.66 -0.51 -0.06 0.00 -1.00 0.00 0.00 55.97 55.07 2ka9 s LYS 151 Cb -0.44 -3.08 -0.04 0.00 -2.06 0.00 0.00 37.83 32.21 2ka9 s LYS 151 CO 0.36 0.03 0.05 0.42 0.10 0.00 0.00 175.35 176.31 2ka9 s ILE 152 N 0.95 4.67 -2.01 3.79 1.01 0.15 0.56 121.20 130.32 2ka9 s ILE 152 Ca 0.01 -0.09 0.25 0.00 0.00 0.00 0.00 60.65 60.83 2ka9 s ILE 152 Cb -0.14 -3.05 0.21 0.00 0.01 0.00 0.00 42.46 39.48 2ka9 s ILE 152 CO 0.02 0.52 1.41 0.00 0.00 0.00 0.00 174.94 176.90 2ka9 n LEU 153 N 2.96 1.53 0.00 2.97 -0.00 0.12 -3.21 117.00 121.36 2ka9 n LEU 153 Ca -0.18 -0.50 0.00 0.00 -0.00 0.00 0.00 56.01 55.34 2ka9 n LEU 153 Cb 0.53 -0.06 0.00 0.00 -0.00 0.00 0.00 43.42 43.89 2ka9 n LEU 153 CO 0.33 0.28 0.00 0.00 -0.00 0.00 0.00 177.39 178.00 2ka9 n ALA 154 N -0.22 0.00 -3.66 1.47 0.00 -1.25 -3.75 120.51 113.10 2ka9 n ALA 154 Ca 0.12 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.18 2ka9 n ALA 154 Cb 0.40 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.75 2ka9 n ALA 154 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2ka9 s VAL 155 N -2.00 3.76 -1.50 0.00 1.01 0.54 -1.69 120.40 120.52 2ka9 s VAL 155 Ca 0.00 -1.92 -0.03 0.00 0.00 0.00 0.00 61.98 60.04 2ka9 s VAL 155 Cb 0.00 -3.52 0.01 0.00 0.00 0.00 0.00 36.38 32.87 2ka9 s VAL 155 CO 0.00 -0.73 0.24 0.59 0.00 0.00 0.00 175.10 175.20 2ka9 n ASN 156 N 4.75 -5.28 0.00 3.32 3.02 -0.44 -0.39 115.26 120.23 2ka9 n ASN 156 Ca -0.05 -0.10 0.00 0.00 -0.03 0.00 0.00 54.58 54.40 2ka9 n ASN 156 Cb 0.41 -4.37 0.00 0.00 -0.61 0.00 0.00 39.78 35.21 2ka9 n ASN 156 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2ka9 n SER 157 N -2.16 -1.57 -4.04 6.41 3.41 -1.26 -5.06 113.62 109.35 2ka9 n SER 157 Ca -0.16 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.30 2ka9 n SER 157 Cb 0.63 -0.43 -0.13 0.00 -0.26 0.00 0.00 64.21 64.03 2ka9 n SER 157 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2ka9 s VAL 158 N -2.00 0.58 0.00 -3.33 1.01 0.47 -4.93 120.40 112.20 2ka9 s VAL 158 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.17 2ka9 s VAL 158 Cb 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 36.38 35.80 2ka9 s VAL 158 CO 0.00 -0.18 0.00 0.61 0.00 0.00 0.00 175.10 175.53 2ka9 n GLY 159 N 1.97 1.96 2.72 4.51 0.00 -1.26 0.20 105.19 115.29 2ka9 n GLY 159 Ca -0.19 -0.50 -0.12 0.00 0.00 0.00 0.00 46.02 45.21 2ka9 n GLY 159 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ka9 n LEU 160 N 0.00 -0.23 -2.94 0.99 4.32 -1.25 -1.03 117.00 116.86 2ka9 n LEU 160 Ca 0.00 -0.09 -0.16 0.00 -0.02 0.00 0.00 56.01 55.74 2ka9 n LEU 160 Cb 0.00 -0.96 -0.03 0.00 -1.62 0.00 0.00 43.42 40.81 2ka9 n LEU 160 CO 0.00 0.03 -0.06 -1.84 -1.22 0.00 0.00 177.39 174.30 2ka9 n GLU 161 N -2.45 -1.73 -1.51 3.23 -0.00 -1.26 -4.74 120.64 112.19 2ka9 n GLU 161 Ca 0.03 0.05 -0.20 0.00 -0.00 0.00 0.00 57.16 57.05 2ka9 n GLU 161 Cb 0.38 -3.64 0.09 0.00 -0.00 0.00 0.00 31.44 28.27 2ka9 n GLU 161 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 2ka9 n ASP 162 N -1.47 4.66 0.00 -1.84 5.75 -0.20 -4.31 116.55 119.14 2ka9 n ASP 162 Ca 0.04 -3.78 0.00 0.00 -0.01 0.00 0.00 54.79 51.04 2ka9 n ASP 162 Cb 0.38 -0.55 0.00 0.00 -1.03 0.00 0.00 41.12 39.92 2ka9 n ASP 162 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 2ka9 n VAL 163 N -0.88 0.00 0.00 2.12 0.31 -1.26 -5.09 118.33 113.53 2ka9 n VAL 163 Ca 0.44 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.77 2ka9 n VAL 163 Cb 0.91 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.84 2ka9 n VAL 163 CO 0.00 0.00 0.00 0.23 -1.32 0.00 0.00 176.83 175.74 2ka9 n MET 164 N -2.25 0.00 -0.09 5.55 2.81 -1.26 -4.64 117.12 117.23 2ka9 n MET 164 Ca 0.00 0.00 0.21 0.00 -1.81 0.00 0.00 57.70 56.10 2ka9 n MET 164 Cb 0.00 0.00 0.64 0.00 -0.71 0.00 0.00 33.22 33.15 2ka9 n MET 164 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 2ka9 h HIS 165 N 0.00 0.16 -0.11 2.03 2.76 -1.54 0.13 115.15 118.58 2ka9 h HIS 165 Ca 0.00 0.00 -0.21 0.00 -2.20 0.00 0.00 60.37 57.97 2ka9 h HIS 165 Cb 0.00 -0.05 0.01 0.00 1.55 0.00 0.00 27.41 28.92 2ka9 h HIS 165 CO 0.00 0.06 -0.75 0.93 -1.30 0.00 0.00 177.93 176.87 2ka9 h GLU 166 N 0.13 0.71 -0.07 5.26 4.39 -1.92 -0.18 114.58 122.89 2ka9 h GLU 166 Ca 0.33 -0.61 -0.23 0.00 0.34 0.00 0.00 59.36 59.19 2ka9 h GLU 166 Cb 1.12 0.14 0.01 0.00 -0.10 0.00 0.00 28.75 29.92 2ka9 h GLU 166 CO -0.05 1.22 -0.88 -0.44 -1.16 0.00 0.00 179.01 177.70 2ka9 h ASP 167 N 0.39 0.79 -0.25 1.42 5.19 -1.52 0.40 116.42 122.85 2ka9 h ASP 167 Ca -0.06 -0.57 -0.17 0.00 -0.62 0.00 0.00 57.03 55.61 2ka9 h ASP 167 Cb 1.39 -0.24 -0.00 0.00 0.18 0.00 0.00 39.33 40.66 2ka9 h ASP 167 CO 0.15 1.36 -0.48 0.00 -3.12 0.00 0.00 179.24 177.16 2ka9 h ALA 168 N 0.60 0.58 -0.06 3.45 0.00 -0.89 0.95 119.26 123.90 2ka9 h ALA 168 Ca -0.08 -0.49 -0.07 0.00 0.00 0.00 0.00 54.91 54.28 2ka9 h ALA 168 Cb 1.51 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.20 2ka9 h ALA 168 CO 0.17 0.68 -0.23 0.28 0.00 0.00 0.00 179.25 180.15 2ka9 h VAL 169 N 0.65 1.44 0.00 0.00 2.07 -1.02 -1.72 116.25 117.68 2ka9 h VAL 169 Ca 0.03 -1.65 -0.02 0.00 0.82 0.00 0.00 66.70 65.88 2ka9 h VAL 169 Cb 1.07 2.36 -0.00 0.00 -1.52 0.00 0.00 31.29 33.19 2ka9 h VAL 169 CO 0.11 0.46 -0.12 0.00 0.02 0.00 0.00 177.57 178.04 2ka9 h ALA 170 N 0.42 1.64 0.01 1.67 0.00 -0.21 0.30 119.26 123.11 2ka9 h ALA 170 Ca -0.01 -0.11 -0.21 0.00 0.00 0.00 0.00 54.91 54.58 2ka9 h ALA 170 Cb 0.87 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 2ka9 h ALA 170 CO 0.05 0.15 -0.93 0.00 0.00 0.00 0.00 179.25 178.51 2ka9 h ALA 171 N 1.88 0.42 0.17 0.00 0.00 -0.71 -0.53 119.26 120.49 2ka9 h ALA 171 Ca -0.00 -0.74 -0.30 0.00 0.00 0.00 0.00 54.91 53.87 2ka9 h ALA 171 Cb 0.23 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.98 2ka9 h ALA 171 CO 0.02 0.89 -1.41 1.37 0.00 0.00 0.00 179.25 180.12 2ka9 h LEU 172 N 0.15 0.55 -0.82 0.00 8.10 -0.55 -3.17 115.31 119.58 2ka9 h LEU 172 Ca -0.06 -0.63 -0.09 0.00 0.11 0.00 0.00 57.88 57.20 2ka9 h LEU 172 Cb 1.58 -0.18 -0.01 0.00 -0.44 0.00 0.00 40.66 41.60 2ka9 h LEU 172 CO 0.15 1.51 -0.44 0.11 -4.11 0.00 0.00 178.44 175.65 2ka9 h LYS 173 N 0.10 0.00 0.00 0.17 1.79 -0.49 -2.59 116.57 115.55 2ka9 h LYS 173 Ca -0.21 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.26 2ka9 h LYS 173 Cb 2.05 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.70 2ka9 h LYS 173 CO 0.21 0.44 0.00 0.09 -1.08 0.00 0.00 179.45 179.12 2ka9 n ASN 174 N -3.56 0.01 -3.00 0.86 5.03 -0.21 -4.83 115.26 109.56 2ka9 n ASN 174 Ca -0.00 0.50 0.00 0.00 0.87 0.00 0.00 54.58 55.95 2ka9 n ASN 174 Cb 0.55 -0.50 0.00 0.00 -1.02 0.00 0.00 39.78 38.81 2ka9 n ASN 174 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 2ka9 n THR 175 N -1.51 0.00 -4.20 3.41 -2.24 -0.98 -5.06 114.28 103.71 2ka9 n THR 175 Ca 0.06 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.57 2ka9 n THR 175 Cb 0.28 -0.04 -0.06 0.00 -2.10 0.00 0.00 70.33 68.40 2ka9 n THR 175 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2ka9 s TYR 176 N -0.98 2.28 -0.41 4.78 5.04 -1.26 -5.00 117.35 121.80 2ka9 s TYR 176 Ca 0.00 -0.70 0.12 0.00 -2.44 0.00 0.00 57.07 54.05 2ka9 s TYR 176 Cb 0.00 -1.89 0.67 0.00 0.35 0.00 0.00 41.96 41.09 2ka9 s TYR 176 CO 0.00 0.07 1.34 -3.47 -1.34 0.00 0.00 175.55 172.15 2ka9 n ASP 177 N -1.34 0.32 -3.37 4.32 2.03 -1.26 -3.82 116.55 113.43 2ka9 n ASP 177 Ca -0.04 0.61 -0.18 0.00 0.52 0.00 0.00 54.79 55.70 2ka9 n ASP 177 Cb 0.65 -0.64 -0.08 0.00 -0.72 0.00 0.00 41.12 40.33 2ka9 n ASP 177 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2ka9 s VAL 178 N -3.27 -0.30 0.07 5.18 1.01 -1.26 0.59 120.40 122.42 2ka9 s VAL 178 Ca -0.01 -1.01 0.06 0.00 0.00 0.00 0.00 61.98 61.01 2ka9 s VAL 178 Cb 0.04 -0.73 -0.03 0.00 0.00 0.00 0.00 36.38 35.65 2ka9 s VAL 178 CO 0.11 -0.61 -0.16 0.68 0.00 0.00 0.00 175.10 175.12 2ka9 s VAL 179 N 1.47 1.28 -0.12 2.92 -7.23 -0.88 -4.97 120.40 112.87 2ka9 s VAL 179 Ca 0.16 -1.27 -0.03 0.00 -1.81 0.00 0.00 61.98 59.03 2ka9 s VAL 179 Cb -0.16 -1.18 -0.03 0.00 0.56 0.00 0.00 36.38 35.57 2ka9 s VAL 179 CO -0.05 -0.10 -0.01 -0.72 -0.31 0.00 0.00 175.10 173.90 2ka9 s TYR 180 N -1.11 3.10 0.25 2.82 -0.85 -1.26 0.21 117.35 120.51 2ka9 s TYR 180 Ca 0.01 -0.01 0.09 0.00 -0.52 0.00 0.00 57.07 56.64 2ka9 s TYR 180 Cb -0.09 -1.87 -0.04 0.00 0.38 0.00 0.00 41.96 40.33 2ka9 s TYR 180 CO 0.02 0.24 0.04 -0.48 -1.52 0.00 0.00 175.55 173.86 2ka9 s LEU 181 N -0.29 3.35 -0.31 -3.49 0.05 0.31 -1.33 118.68 116.97 2ka9 s LEU 181 Ca 0.06 -0.52 -0.12 0.00 0.05 0.00 0.00 54.13 53.60 2ka9 s LEU 181 Cb -0.12 -1.89 -0.03 0.00 -2.05 0.00 0.00 46.19 42.09 2ka9 s LEU 181 CO 0.02 0.00 0.21 -0.75 -0.55 0.00 0.00 176.35 175.29 2ka9 s LYS 182 N -3.62 3.68 0.24 1.48 2.20 -0.68 -0.18 119.74 122.85 2ka9 s LYS 182 Ca 0.31 -0.51 0.06 0.00 -0.36 0.00 0.00 55.97 55.47 2ka9 s LYS 182 Cb -0.07 -3.73 -0.03 0.00 -1.51 0.00 0.00 37.83 32.49 2ka9 s LYS 182 CO 0.21 -0.33 0.30 0.08 -0.36 0.00 0.00 175.35 175.25 2ka9 s VAL 183 N 1.73 5.00 -0.00 4.02 1.01 -0.26 -0.71 120.40 131.20 2ka9 s VAL 183 Ca 0.06 -1.10 0.06 0.00 0.00 0.00 0.00 61.98 61.00 2ka9 s VAL 183 Cb -0.17 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.49 2ka9 s VAL 183 CO 0.10 -0.32 -0.18 0.00 0.00 0.00 0.00 175.10 174.70 2ka9 s ALA 184 N -2.01 1.50 -0.01 5.51 0.00 0.19 0.82 121.76 127.77 2ka9 s ALA 184 Ca 0.34 -0.81 -0.02 0.00 0.00 0.00 0.00 51.96 51.47 2ka9 s ALA 184 Cb -0.09 -0.36 -0.04 0.00 0.00 0.00 0.00 23.12 22.63 2ka9 s ALA 184 CO 0.28 0.36 0.13 0.15 0.00 0.00 0.00 175.76 176.68 2ka9 s LYS 185 N -0.57 3.25 0.25 0.00 3.01 -0.37 -4.17 119.74 121.14 2ka9 s LYS 185 Ca 0.07 -0.40 -0.30 0.00 -1.01 0.00 0.00 55.97 54.32 2ka9 s LYS 185 Cb -0.07 -2.98 -0.10 0.00 -1.01 0.00 0.00 37.83 33.66 2ka9 s LYS 185 CO -0.00 0.66 1.51 -2.14 0.51 0.00 0.00 175.35 175.89 2ka9 s PRO 186 N -1.85 4.21 0.34 -1.68 0.02 -1.26 -3.57 135.00 131.21 2ka9 s PRO 186 Ca 0.25 2.40 -0.27 0.00 0.02 0.00 0.00 61.00 63.41 2ka9 s PRO 186 Cb -0.12 -3.09 -0.09 0.00 0.02 0.00 0.00 34.50 31.21 2ka9 s PRO 186 CO 0.16 -0.52 1.04 -1.54 -0.33 0.00 0.00 177.00 175.81 2ka9 s SER 187 N 0.56 7.09 -0.72 2.53 1.04 -1.26 -3.33 113.70 119.61 2ka9 s SER 187 Ca 0.63 2.07 0.00 0.00 0.48 0.00 0.00 55.95 59.13 2ka9 s SER 187 Cb -0.44 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.08 2ka9 s SER 187 CO 0.42 -0.26 0.00 -3.20 0.98 0.00 0.00 173.24 171.18 2ka9 n ASN 188 N 0.57 -2.84 0.00 7.02 5.15 -1.26 -4.76 115.26 119.14 2ka9 n ASN 188 Ca 0.02 0.29 0.00 0.00 -0.60 0.00 0.00 54.58 54.29 2ka9 n ASN 188 Cb 0.48 -2.50 0.00 0.00 -0.53 0.00 0.00 39.78 37.23 2ka9 n ASN 188 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66