#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 4.05 0.18 2.12 2.12 0.33 -4.87 118.70 122.63 2ka9 s GLU 2 Ca 0.00 0.66 0.11 0.00 0.36 0.00 0.00 54.97 56.10 2ka9 s GLU 2 Cb 0.00 -2.66 -0.04 0.00 0.26 0.00 0.00 34.13 31.69 2ka9 s GLU 2 CO 0.00 0.29 -0.23 0.71 -0.54 0.00 0.00 175.26 175.49 2ka9 s TYR 3 N -1.76 2.35 -0.09 5.30 1.51 -1.26 0.08 117.35 123.48 2ka9 s TYR 3 Ca 0.48 -0.34 -0.32 0.00 -1.01 0.00 0.00 57.07 55.88 2ka9 s TYR 3 Cb -0.13 -1.19 0.12 0.00 -0.11 0.00 0.00 41.96 40.66 2ka9 s TYR 3 CO 0.19 0.47 1.03 -2.00 -1.11 0.00 0.00 175.55 174.13 2ka9 s GLU 4 N -2.55 0.58 -0.09 -0.62 2.56 -0.74 -4.99 118.70 112.86 2ka9 s GLU 4 Ca 0.20 -0.20 -0.00 0.00 0.00 0.00 0.00 54.97 54.97 2ka9 s GLU 4 Cb -0.08 0.27 -0.03 0.00 2.00 0.00 0.00 34.13 36.29 2ka9 s GLU 4 CO 0.10 -0.25 -0.06 -1.83 -0.56 0.00 0.00 175.26 172.65 2ka9 s GLU 5 N -2.71 2.98 0.16 4.30 4.04 -1.26 -0.47 118.70 125.74 2ka9 s GLU 5 Ca 0.07 -0.55 -0.11 0.00 0.04 0.00 0.00 54.97 54.42 2ka9 s GLU 5 Cb -0.01 -2.67 0.00 0.00 0.02 0.00 0.00 34.13 31.48 2ka9 s GLU 5 CO -0.07 0.55 0.32 0.42 -1.84 0.00 0.00 175.26 174.64 2ka9 s ILE 6 N -0.50 0.07 -0.04 1.83 1.01 -0.30 -4.99 121.20 118.28 2ka9 s ILE 6 Ca 0.08 -1.22 0.06 0.00 0.00 0.00 0.00 60.65 59.57 2ka9 s ILE 6 Cb -0.12 -1.69 -0.01 0.00 0.01 0.00 0.00 42.46 40.65 2ka9 s ILE 6 CO 0.02 -0.32 -0.21 0.42 0.00 0.00 0.00 174.94 174.85 2ka9 s THR 7 N -3.93 1.73 -0.47 2.92 -4.23 -1.26 -1.51 115.64 108.90 2ka9 s THR 7 Ca 0.13 -0.90 0.03 0.00 -1.18 0.00 0.00 61.69 59.77 2ka9 s THR 7 Cb 0.03 -1.46 0.14 0.00 1.34 0.00 0.00 72.50 72.54 2ka9 s THR 7 CO -0.03 0.49 0.26 -0.22 -0.54 0.00 0.00 174.62 174.58 2ka9 s LEU 8 N -0.20 3.15 0.16 4.79 2.96 -0.02 -4.87 118.68 124.65 2ka9 s LEU 8 Ca -0.00 -2.79 -0.30 0.00 -0.22 0.00 0.00 54.13 50.82 2ka9 s LEU 8 Cb -0.11 -1.19 -0.07 0.00 0.50 0.00 0.00 46.19 45.31 2ka9 s LEU 8 CO 0.02 -0.25 1.13 -0.70 -1.32 0.00 0.00 176.35 175.24 2ka9 s GLU 9 N 0.10 4.55 -0.42 1.98 2.12 -1.26 -2.54 118.70 123.23 2ka9 s GLU 9 Ca 0.18 1.76 -0.28 0.00 0.36 0.00 0.00 54.97 56.99 2ka9 s GLU 9 Cb -0.23 -3.28 -0.08 0.00 0.26 0.00 0.00 34.13 30.80 2ka9 s GLU 9 CO -0.01 -0.01 2.35 0.54 -0.54 0.00 0.00 175.26 177.58 2ka9 n ARG 10 N 2.62 1.28 -0.16 4.30 1.74 0.28 -4.62 116.66 122.11 2ka9 n ARG 10 Ca 0.04 0.21 0.29 0.00 -0.77 0.00 0.00 57.85 57.62 2ka9 n ARG 10 Cb 0.46 -3.13 0.69 0.00 -1.02 0.00 0.00 32.46 29.46 2ka9 n ARG 10 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 2ka9 h GLY 11 N 16.74 0.00 0.00 -0.13 0.00 -1.79 -3.44 103.07 114.46 2ka9 h GLY 11 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.04 2ka9 h GLY 11 CO 1.09 0.00 0.00 -2.01 0.00 0.00 0.00 176.54 175.62 2ka9 n ASN 12 N -3.82 0.00 -1.51 0.19 5.15 -1.26 -4.97 115.26 109.03 2ka9 n ASN 12 Ca 0.19 0.00 -0.11 0.00 -0.60 0.00 0.00 54.58 54.06 2ka9 n ASN 12 Cb 1.09 0.03 0.19 0.00 -0.53 0.00 0.00 39.78 40.55 2ka9 n ASN 12 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 2ka9 n SER 13 N -0.90 3.00 0.00 1.20 2.88 -1.26 -5.04 113.62 113.49 2ka9 n SER 13 Ca 0.00 -3.75 0.00 0.00 -1.33 0.00 0.00 58.87 53.79 2ka9 n SER 13 Cb 0.00 -0.70 0.00 0.00 -0.75 0.00 0.00 64.21 62.76 2ka9 n SER 13 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2ka9 n GLY 14 N -1.12 1.06 0.08 0.46 0.00 -1.26 -4.98 105.19 99.43 2ka9 n GLY 14 Ca 0.42 -1.78 -0.16 0.00 0.00 0.00 0.00 46.02 44.50 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 -2.73 115.31 115.73 2ka9 h LEU 15 Ca 0.00 -0.73 0.00 0.00 0.08 0.00 0.00 57.88 57.23 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 1.17 0.00 0.61 -1.08 0.00 0.00 178.44 179.14 2ka9 n GLY 16 N 1.55 0.80 3.49 0.83 0.00 -1.26 0.12 105.19 110.72 2ka9 n GLY 16 Ca -0.18 -0.73 -0.11 0.00 0.00 0.00 0.00 46.02 45.00 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 -1.79 -0.43 -0.14 1.61 -0.12 -1.26 -3.35 117.98 112.49 2ka9 s PHE 17 Ca 0.00 0.39 -0.01 0.00 -0.05 0.00 0.00 56.93 57.26 2ka9 s PHE 17 Cb 0.00 0.52 -0.02 0.00 -0.63 0.00 0.00 43.02 42.89 2ka9 s PHE 17 CO 0.00 -0.61 -0.10 -1.12 -0.05 0.00 0.00 175.22 173.34 2ka9 s SER 18 N -2.25 4.25 0.29 1.98 0.01 0.38 -5.00 113.70 113.35 2ka9 s SER 18 Ca 0.01 -0.28 0.11 0.00 1.31 0.00 0.00 55.95 57.11 2ka9 s SER 18 Cb -0.01 -1.67 -0.05 0.00 0.21 0.00 0.00 66.02 64.51 2ka9 s SER 18 CO -0.07 0.16 -0.10 0.27 0.41 0.00 0.00 173.24 173.91 2ka9 s ILE 19 N 0.42 2.82 0.33 1.44 -4.36 -1.26 0.12 121.20 120.70 2ka9 s ILE 19 Ca -0.08 -2.18 -0.18 0.00 -0.26 0.00 0.00 60.65 57.95 2ka9 s ILE 19 Cb -0.15 -2.56 0.05 0.00 1.25 0.00 0.00 42.46 41.04 2ka9 s ILE 19 CO 0.04 -0.36 0.79 0.00 0.24 0.00 0.00 174.94 175.65 2ka9 s ALA 20 N -2.45 -0.99 0.00 2.27 0.00 -1.15 -4.85 121.76 114.58 2ka9 s ALA 20 Ca 0.31 -0.54 0.00 0.00 0.00 0.00 0.00 51.96 51.73 2ka9 s ALA 20 Cb -0.05 0.74 0.00 0.00 0.00 0.00 0.00 23.12 23.81 2ka9 s ALA 20 CO 0.17 -1.01 0.00 0.41 0.00 0.00 0.00 175.76 175.33 2ka9 n GLY 21 N -0.51 0.92 0.00 0.00 0.00 -1.25 -3.62 105.19 100.72 2ka9 n GLY 21 Ca -0.07 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.70 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 2.99 0.39 -0.02 0.00 -1.19 -4.00 105.19 103.36 2ka9 n GLY 22 Ca 0.00 -1.70 0.20 0.00 0.00 0.00 0.00 46.02 44.52 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 0.31 0.06 2.61 1.03 -0.01 -1.55 112.91 115.36 2ka9 h THR 23 Ca 0.00 0.00 -0.29 0.00 -0.01 0.00 0.00 66.41 66.11 2ka9 h THR 23 Cb 0.00 0.61 -0.03 0.00 -1.07 0.00 0.00 68.15 67.66 2ka9 h THR 23 CO 0.00 0.00 -1.55 -0.78 -0.01 0.00 0.00 175.52 173.18 2ka9 h ASP 24 N 0.00 0.18 -2.81 0.00 3.58 -1.85 -3.43 116.42 112.10 2ka9 h ASP 24 Ca 0.19 -0.70 -0.61 0.00 0.42 0.00 0.00 57.03 56.33 2ka9 h ASP 24 Cb 1.15 -0.06 -0.41 0.00 1.72 0.00 0.00 39.33 41.72 2ka9 h ASP 24 CO -0.00 1.64 -0.66 -3.20 -2.88 0.00 0.00 179.24 174.14 2ka9 n ASN 25 N -4.04 2.49 -4.58 2.28 2.85 -0.66 -5.10 115.26 108.49 2ka9 n ASN 25 Ca -0.32 -3.10 -0.49 0.00 -0.11 0.00 0.00 54.58 50.57 2ka9 n ASN 25 Cb 0.83 -0.71 -0.04 0.00 1.24 0.00 0.00 39.78 41.11 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 1.92 1.22 0.20 1.20 -0.02 -0.76 -3.18 135.00 135.58 2ka9 n PRO 26 Ca 0.23 0.43 0.07 0.00 -2.02 0.00 0.00 63.50 62.21 2ka9 n PRO 26 Cb 0.38 -1.94 0.39 0.00 -0.02 0.00 0.00 33.50 32.31 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 3.41 0.00 0.00 6.00 2.76 -1.82 -3.28 115.15 122.22 2ka9 h HIS 27 Ca -0.43 0.00 -0.16 0.00 -2.20 0.00 0.00 60.37 57.58 2ka9 h HIS 27 Cb 1.34 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 30.27 2ka9 h HIS 27 CO 0.54 0.32 -1.67 0.44 -1.30 0.00 0.00 177.93 176.27 2ka9 n ILE 28 N -3.53 0.59 -0.38 6.26 -5.35 -1.26 -4.94 119.36 110.75 2ka9 n ILE 28 Ca -0.00 -0.40 0.00 0.00 -0.27 0.00 0.00 62.75 62.07 2ka9 n ILE 28 Cb 0.47 -0.58 0.00 0.00 -1.74 0.00 0.00 39.64 37.78 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 2.30 1.38 1.05 3.28 0.00 -1.24 -4.95 105.19 107.02 2ka9 n GLY 29 Ca -0.14 -0.22 -0.04 0.00 0.00 0.00 0.00 46.02 45.62 2ka9 n GLY 29 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2ka9 n ASP 30 N 0.45 -0.66 -3.11 1.61 9.92 -1.26 -5.07 116.55 118.43 2ka9 n ASP 30 Ca 0.00 -1.32 0.03 0.00 -0.53 0.00 0.00 54.79 52.97 2ka9 n ASP 30 Cb 0.08 0.23 -0.00 0.00 -0.64 0.00 0.00 41.12 40.78 2ka9 n ASP 30 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2ka9 s ASP 31 N -0.63 -1.17 0.63 -2.24 -1.08 -1.26 -5.01 116.67 105.91 2ka9 s ASP 31 Ca 0.01 -0.16 0.31 0.00 -0.52 0.00 0.00 52.55 52.19 2ka9 s ASP 31 Cb 0.05 1.63 1.70 0.00 -1.46 0.00 0.00 42.92 44.83 2ka9 s ASP 31 CO -0.01 -0.18 2.02 1.55 0.52 0.00 0.00 175.17 179.06 2ka9 h PRO 32 N 7.20 0.00 -7.29 4.34 0.13 -1.88 -3.43 132.00 131.07 2ka9 h PRO 32 Ca -0.01 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.63 2ka9 h PRO 32 Cb 1.19 0.00 0.17 0.00 0.13 0.00 0.00 31.00 32.49 2ka9 h PRO 32 CO 0.05 0.00 0.21 0.45 -0.23 0.00 0.00 178.00 178.48 2ka9 s SER 33 N -5.07 3.01 0.02 1.44 0.15 -1.26 -0.61 113.70 111.37 2ka9 s SER 33 Ca -0.04 1.63 0.02 0.00 0.70 0.00 0.00 55.95 58.26 2ka9 s SER 33 Cb 0.13 -2.28 -0.04 0.00 -1.71 0.00 0.00 66.02 62.12 2ka9 s SER 33 CO 0.43 -2.95 0.03 -0.63 1.20 0.00 0.00 173.24 171.32 2ka9 s ILE 34 N -2.80 4.32 0.01 6.45 1.09 -1.26 -4.11 121.20 124.89 2ka9 s ILE 34 Ca 0.65 -0.62 -0.04 0.00 -1.10 0.00 0.00 60.65 59.54 2ka9 s ILE 34 Cb -0.20 -2.97 -0.01 0.00 -1.06 0.00 0.00 42.46 38.22 2ka9 s ILE 34 CO 0.58 0.31 0.06 0.72 -0.10 0.00 0.00 174.94 176.51 2ka9 s PHE 35 N -1.17 0.15 0.55 3.97 -0.71 -1.24 -3.35 117.98 116.19 2ka9 s PHE 35 Ca 0.22 -0.34 -0.18 0.00 -1.04 0.00 0.00 56.93 55.59 2ka9 s PHE 35 Cb -0.12 -0.12 -0.05 0.00 -1.21 0.00 0.00 43.02 41.52 2ka9 s PHE 35 CO 0.13 -0.24 1.08 0.42 -1.34 0.00 0.00 175.22 175.27 2ka9 s ILE 36 N -1.46 3.55 -0.20 -4.49 1.01 0.32 -2.94 121.20 117.00 2ka9 s ILE 36 Ca -0.15 0.87 0.08 0.00 0.00 0.00 0.00 60.65 61.45 2ka9 s ILE 36 Cb -0.09 -3.34 -0.17 0.00 0.01 0.00 0.00 42.46 38.87 2ka9 s ILE 36 CO 0.00 -0.30 -0.08 0.41 0.00 0.00 0.00 174.94 174.97 2ka9 n THR 37 N -1.53 1.21 -3.57 2.92 -1.04 0.32 -2.25 114.28 110.35 2ka9 n THR 37 Ca 0.10 -0.59 -0.09 0.00 -2.04 0.00 0.00 64.05 61.43 2ka9 n THR 37 Cb 0.52 -0.94 -0.04 0.00 -1.82 0.00 0.00 70.33 68.05 2ka9 n THR 37 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2ka9 s LYS 38 N -2.42 0.58 -0.01 -2.82 2.36 -1.21 -4.84 119.74 111.37 2ka9 s LYS 38 Ca -0.20 0.05 0.07 0.00 -2.55 0.00 0.00 55.97 53.34 2ka9 s LYS 38 Cb 0.06 0.27 -0.02 0.00 -1.05 0.00 0.00 37.83 37.09 2ka9 s LYS 38 CO 0.59 -0.20 -0.22 0.42 1.55 0.00 0.00 175.35 177.49 2ka9 s ILE 39 N -1.50 2.38 0.17 5.43 1.01 -1.26 -0.47 121.20 126.95 2ka9 s ILE 39 Ca 0.01 -1.08 -0.22 0.00 0.00 0.00 0.00 60.65 59.36 2ka9 s ILE 39 Cb -0.01 -1.89 -0.08 0.00 0.01 0.00 0.00 42.46 40.50 2ka9 s ILE 39 CO -0.01 0.52 0.71 0.27 0.00 0.00 0.00 174.94 176.43 2ka9 s ILE 40 N -0.70 4.52 -1.12 2.92 -4.36 -1.21 -4.97 121.20 116.27 2ka9 s ILE 40 Ca 0.11 1.44 -0.20 0.00 -0.26 0.00 0.00 60.65 61.74 2ka9 s ILE 40 Cb -0.10 -3.98 -0.05 0.00 1.25 0.00 0.00 42.46 39.57 2ka9 s ILE 40 CO 0.01 0.41 1.96 -0.81 0.24 0.00 0.00 174.94 176.75 2ka9 n PRO 41 N 1.29 2.15 0.00 0.37 -0.04 -1.26 -3.26 135.00 134.24 2ka9 n PRO 41 Ca -0.05 -2.43 0.00 0.00 -0.04 0.00 0.00 63.50 60.98 2ka9 n PRO 41 Cb 0.50 -3.30 0.00 0.00 -0.04 0.00 0.00 33.50 30.66 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 4.88 0.06 3.26 0.55 0.00 -1.26 -5.16 105.19 107.52 2ka9 n GLY 42 Ca 0.49 -0.01 -0.28 0.00 0.00 0.00 0.00 46.02 46.22 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 0.00 -3.17 0.14 -0.02 0.00 -1.20 -4.92 105.19 96.02 2ka9 n GLY 43 Ca 0.00 -1.40 0.01 0.00 0.00 0.00 0.00 46.02 44.63 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 -3.20 0.77 -0.33 4.61 0.00 0.78 -3.32 119.26 118.58 2ka9 h ALA 44 Ca -0.46 -0.53 0.06 0.00 0.00 0.00 0.00 54.91 53.98 2ka9 h ALA 44 Cb 1.27 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.88 2ka9 h ALA 44 CO 0.31 0.73 -0.45 0.00 0.00 0.00 0.00 179.25 179.84 2ka9 h ALA 45 N 1.42 -0.53 0.00 0.00 0.00 -1.72 0.63 119.26 119.06 2ka9 h ALA 45 Ca -0.01 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2ka9 h ALA 45 Cb 1.24 0.90 -0.00 0.00 0.00 0.00 0.00 17.79 19.93 2ka9 h ALA 45 CO 0.08 -0.91 -0.11 0.00 0.00 0.00 0.00 179.25 178.30 2ka9 h ALA 46 N 0.26 1.66 -0.17 0.00 0.00 -1.85 0.66 119.26 119.81 2ka9 h ALA 46 Ca 0.11 -0.10 -0.18 0.00 0.00 0.00 0.00 54.91 54.74 2ka9 h ALA 46 Cb 0.60 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 2ka9 h ALA 46 CO -0.53 0.14 -0.62 0.37 0.00 0.00 0.00 179.25 178.61 2ka9 h GLN 47 N 0.00 0.61 0.00 0.00 4.15 -0.84 -3.00 115.11 116.02 2ka9 h GLN 47 Ca -0.00 -0.42 -0.13 0.00 0.77 0.00 0.00 58.65 58.87 2ka9 h GLN 47 Cb 0.22 0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.95 2ka9 h GLN 47 CO 0.01 1.04 -0.77 -0.44 -1.93 0.00 0.00 178.83 176.74 2ka9 h ASP 48 N 0.45 0.00 -2.08 -0.69 3.32 0.11 -3.48 116.42 114.04 2ka9 h ASP 48 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 2ka9 h ASP 48 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 2ka9 h ASP 48 CO 0.12 0.57 0.00 0.61 -1.72 0.00 0.00 179.24 178.82 2ka9 n GLY 49 N 1.28 0.52 1.96 2.75 0.00 0.22 -4.90 105.19 107.02 2ka9 n GLY 49 Ca -0.01 -0.44 -0.02 0.00 0.00 0.00 0.00 46.02 45.55 2ka9 n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ka9 n ARG 50 N -1.04 0.69 0.00 1.61 5.12 -0.96 -4.92 116.66 117.16 2ka9 n ARG 50 Ca 0.00 -0.20 0.00 0.00 -1.93 0.00 0.00 57.85 55.72 2ka9 n ARG 50 Cb 0.48 -1.45 0.00 0.00 -1.16 0.00 0.00 32.46 30.33 2ka9 n ARG 50 CO 0.00 0.00 0.00 1.47 -1.93 0.00 0.00 177.63 177.17 2ka9 n LEU 51 N 2.16 0.00 -4.75 0.55 -0.00 -1.26 -4.54 117.00 109.16 2ka9 n LEU 51 Ca 0.09 0.00 -0.36 0.00 -0.00 0.00 0.00 56.01 55.73 2ka9 n LEU 51 Cb 0.33 0.00 0.04 0.00 -0.00 0.00 0.00 43.42 43.79 2ka9 n LEU 51 CO 0.08 0.00 0.86 -0.60 -0.00 0.00 0.00 177.39 177.72 2ka9 s ARG 52 N 0.00 2.86 0.13 1.47 6.06 -1.26 -4.95 118.95 123.27 2ka9 s ARG 52 Ca 0.00 1.88 -0.11 0.00 -2.50 0.00 0.00 55.73 55.00 2ka9 s ARG 52 Cb 0.00 -1.91 -0.06 0.00 0.06 0.00 0.00 34.95 33.04 2ka9 s ARG 52 CO 0.00 -1.31 1.43 -0.39 -2.50 0.00 0.00 175.30 172.53 2ka9 h VAL 53 N 0.79 1.28 0.00 7.11 -1.51 -1.80 -3.09 116.25 119.03 2ka9 h VAL 53 Ca -0.51 -1.71 0.00 0.00 -1.23 0.00 0.00 66.70 63.26 2ka9 h VAL 53 Cb 1.31 1.60 0.00 0.00 -2.13 0.00 0.00 31.29 32.06 2ka9 h VAL 53 CO 0.55 0.56 0.31 -0.46 -1.23 0.00 0.00 177.57 177.29 2ka9 n ASN 54 N -4.01 0.34 -4.70 4.19 0.23 -0.95 0.12 115.26 110.47 2ka9 n ASN 54 Ca -0.04 0.56 -0.33 0.00 -0.53 0.00 0.00 54.58 54.24 2ka9 n ASN 54 Cb 0.62 -0.50 0.12 0.00 -2.08 0.00 0.00 39.78 37.94 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 -3.41 3.69 -0.13 0.53 -4.77 -1.17 -4.61 116.67 106.80 2ka9 s ASP 55 Ca -0.01 2.27 0.02 0.00 -3.30 0.00 0.00 52.55 51.53 2ka9 s ASP 55 Cb 0.04 -2.58 0.01 0.00 -1.09 0.00 0.00 42.92 39.30 2ka9 s ASP 55 CO 0.12 -2.60 -0.18 -0.44 0.70 0.00 0.00 175.17 172.77 2ka9 s SER 56 N -2.35 2.79 -0.68 2.11 0.01 -0.44 -3.12 113.70 112.02 2ka9 s SER 56 Ca 0.71 -0.52 -0.26 0.00 1.31 0.00 0.00 55.95 57.19 2ka9 s SER 56 Cb -0.26 -1.27 -0.08 0.00 0.21 0.00 0.00 66.02 64.61 2ka9 s SER 56 CO 0.51 0.03 2.27 0.27 0.41 0.00 0.00 173.24 176.73 2ka9 s ILE 57 N 0.99 3.12 0.57 1.44 -4.36 -1.21 0.46 121.20 122.20 2ka9 s ILE 57 Ca -0.05 -0.03 0.34 0.00 -0.26 0.00 0.00 60.65 60.65 2ka9 s ILE 57 Cb -0.15 -3.29 0.38 0.00 1.25 0.00 0.00 42.46 40.65 2ka9 s ILE 57 CO -0.03 -0.28 2.26 0.17 0.24 0.00 0.00 174.94 177.30 2ka9 h LEU 58 N 20.02 0.00 -7.03 0.37 8.10 -0.47 -3.37 115.31 132.94 2ka9 h LEU 58 Ca -0.11 0.00 0.02 0.00 0.11 0.00 0.00 57.88 57.90 2ka9 h LEU 58 Cb 1.12 0.00 -0.22 0.00 -0.44 0.00 0.00 40.66 41.12 2ka9 h LEU 58 CO 1.12 0.02 -0.07 0.12 -4.11 0.00 0.00 178.44 175.52 2ka9 s PHE 59 N -4.39 -1.08 -0.06 0.17 5.36 0.64 -3.75 117.98 114.86 2ka9 s PHE 59 Ca -0.04 2.08 0.04 0.00 -0.96 0.00 0.00 56.93 58.04 2ka9 s PHE 59 Cb 0.14 0.63 -0.00 0.00 -0.34 0.00 0.00 43.02 43.45 2ka9 s PHE 59 CO 0.51 -0.54 -0.20 0.08 -1.46 0.00 0.00 175.22 173.61 2ka9 s VAL 60 N 1.97 1.67 -0.95 3.12 1.01 -1.03 0.15 120.40 126.34 2ka9 s VAL 60 Ca -0.09 -0.82 -0.07 0.00 0.00 0.00 0.00 61.98 61.00 2ka9 s VAL 60 Cb -0.07 -1.44 0.06 0.00 0.00 0.00 0.00 36.38 34.93 2ka9 s VAL 60 CO -0.19 0.47 0.27 0.59 0.00 0.00 0.00 175.10 176.25 2ka9 n ASN 61 N 3.31 -2.69 -1.72 3.32 3.02 -1.15 0.14 115.26 119.49 2ka9 n ASN 61 Ca -0.19 -0.14 -0.14 0.00 -0.03 0.00 0.00 54.58 54.08 2ka9 n ASN 61 Cb 0.53 -2.30 0.01 0.00 -0.61 0.00 0.00 39.78 37.40 2ka9 n ASN 61 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 2ka9 n GLU 62 N -3.24 -2.01 -5.09 3.52 2.13 -1.26 -5.02 120.64 109.67 2ka9 n GLU 62 Ca -0.02 0.61 -0.30 0.00 0.66 0.00 0.00 57.16 58.11 2ka9 n GLU 62 Cb 0.53 -4.80 -0.15 0.00 0.27 0.00 0.00 31.44 27.29 2ka9 n GLU 62 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2ka9 s VAL 63 N -2.79 1.99 -0.63 6.31 1.01 0.38 -5.07 120.40 121.61 2ka9 s VAL 63 Ca 0.09 -1.18 -0.26 0.00 0.00 0.00 0.00 61.98 60.63 2ka9 s VAL 63 Cb -0.04 -1.68 -0.03 0.00 0.00 0.00 0.00 36.38 34.63 2ka9 s VAL 63 CO 0.11 0.47 1.95 -0.62 0.00 0.00 0.00 175.10 177.00 2ka9 s ASP 64 N -0.84 5.13 -0.25 3.32 2.15 -1.26 -2.46 116.67 122.46 2ka9 s ASP 64 Ca 0.10 0.33 0.16 0.00 0.43 0.00 0.00 52.55 53.57 2ka9 s ASP 64 Cb -0.10 -2.53 0.48 0.00 -0.30 0.00 0.00 42.92 40.47 2ka9 s ASP 64 CO 0.00 -2.50 1.16 0.52 -0.17 0.00 0.00 175.17 174.18 2ka9 n VAL 65 N 7.39 1.76 -0.47 1.11 0.31 -1.26 -4.75 118.33 122.42 2ka9 n VAL 65 Ca 0.25 -3.32 0.09 0.00 -0.01 0.00 0.00 64.34 61.35 2ka9 n VAL 65 Cb 0.52 0.16 0.30 0.00 -0.91 0.00 0.00 33.84 33.90 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 -0.60 3.17 -1.53 5.55 1.85 -1.25 -4.51 116.66 119.34 2ka9 n ARG 66 Ca 0.23 -2.63 -0.00 0.00 -1.00 0.00 0.00 57.85 54.44 2ka9 n ARG 66 Cb 0.89 -1.65 0.02 0.00 -1.05 0.00 0.00 32.46 30.67 2ka9 n ARG 66 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 2ka9 n GLU 67 N 1.04 0.20 -4.59 2.89 1.02 -1.26 -4.08 120.64 115.85 2ka9 n GLU 67 Ca 0.22 -0.20 -0.31 0.00 -0.02 0.00 0.00 57.16 56.85 2ka9 n GLU 67 Cb 0.70 0.14 -0.12 0.00 -0.02 0.00 0.00 31.44 32.14 2ka9 n GLU 67 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2ka9 s VAL 68 N 0.02 2.85 0.98 2.62 -7.23 -1.26 -4.59 120.40 113.79 2ka9 s VAL 68 Ca 0.01 -1.21 -0.14 0.00 -1.81 0.00 0.00 61.98 58.83 2ka9 s VAL 68 Cb 0.07 -2.22 0.01 0.00 0.56 0.00 0.00 36.38 34.79 2ka9 s VAL 68 CO -0.02 0.30 0.10 0.41 -0.31 0.00 0.00 175.10 175.59 2ka9 n THR 69 N 1.43 0.00 -0.10 5.32 -1.04 -1.26 -1.75 114.28 116.88 2ka9 n THR 69 Ca -0.16 -0.25 -0.05 0.00 -2.04 0.00 0.00 64.05 61.54 2ka9 n THR 69 Cb 0.52 -0.50 0.02 0.00 -1.82 0.00 0.00 70.33 68.55 2ka9 n THR 69 CO 0.00 0.00 0.00 -0.74 -0.64 0.00 0.00 175.07 173.69 2ka9 h HIS 70 N -1.51 0.06 -0.89 -1.42 2.76 -1.84 -2.17 115.15 110.14 2ka9 h HIS 70 Ca -0.45 0.02 0.19 0.00 -2.20 0.00 0.00 60.37 57.94 2ka9 h HIS 70 Cb 1.30 0.03 -0.11 0.00 1.55 0.00 0.00 27.41 30.17 2ka9 h HIS 70 CO 0.32 -0.02 0.43 0.77 -1.30 0.00 0.00 177.93 178.13 2ka9 h SER 71 N 0.15 0.45 -0.31 3.26 0.02 -1.91 0.38 113.55 115.60 2ka9 h SER 71 Ca 0.17 0.13 -0.02 0.00 -0.84 0.00 0.00 61.79 61.23 2ka9 h SER 71 Cb 0.22 0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.81 2ka9 h SER 71 CO -0.26 0.10 0.13 0.00 -1.14 0.00 0.00 176.83 175.67 2ka9 h ALA 72 N 1.65 1.54 -0.25 3.77 0.00 -1.72 0.11 119.26 124.36 2ka9 h ALA 72 Ca 0.53 -0.11 -0.19 0.00 0.00 0.00 0.00 54.91 55.14 2ka9 h ALA 72 Cb 0.91 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2ka9 h ALA 72 CO -0.45 0.35 -0.57 0.00 0.00 0.00 0.00 179.25 178.58 2ka9 h ALA 73 N 1.63 0.41 -0.39 0.00 0.00 -0.19 -1.63 119.26 119.09 2ka9 h ALA 73 Ca 0.13 -0.52 -0.06 0.00 0.00 0.00 0.00 54.91 54.46 2ka9 h ALA 73 Cb 0.13 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2ka9 h ALA 73 CO -0.01 0.63 -0.00 0.28 0.00 0.00 0.00 179.25 180.15 2ka9 h VAL 74 N 0.59 1.22 -0.17 0.00 2.07 -0.28 -1.40 116.25 118.28 2ka9 h VAL 74 Ca 0.00 -0.88 -0.12 0.00 0.82 0.00 0.00 66.70 66.52 2ka9 h VAL 74 Cb 1.18 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.87 2ka9 h VAL 74 CO 0.12 0.30 -0.42 -0.33 0.02 0.00 0.00 177.57 177.27 2ka9 h GLU 75 N 0.59 0.40 -0.27 1.57 5.08 -0.64 0.48 114.58 121.79 2ka9 h GLU 75 Ca 0.12 -0.20 -0.10 0.00 -1.00 0.00 0.00 59.36 58.18 2ka9 h GLU 75 Cb 0.38 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 2ka9 h GLU 75 CO 0.01 0.75 -0.23 0.00 -1.00 0.00 0.00 179.01 178.55 2ka9 h ALA 76 N 1.22 0.39 0.00 3.43 0.00 -0.66 0.11 119.26 123.76 2ka9 h ALA 76 Ca 0.03 -0.37 -0.11 0.00 0.00 0.00 0.00 54.91 54.45 2ka9 h ALA 76 Cb 0.88 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 2ka9 h ALA 76 CO 0.07 0.36 -0.54 1.37 0.00 0.00 0.00 179.25 180.51 2ka9 h LEU 77 N 0.36 0.00 -0.22 0.00 8.10 -1.20 0.11 115.31 122.46 2ka9 h LEU 77 Ca 0.05 0.00 -0.13 0.00 0.11 0.00 0.00 57.88 57.91 2ka9 h LEU 77 Cb 0.78 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 41.00 2ka9 h LEU 77 CO 0.06 0.54 -0.37 0.50 -4.11 0.00 0.00 178.44 175.06 2ka9 h LYS 78 N 0.00 0.64 -0.76 0.17 3.64 0.16 -3.08 116.57 117.33 2ka9 h LYS 78 Ca -0.01 -0.39 -0.42 0.00 -1.27 0.00 0.00 60.65 58.56 2ka9 h LYS 78 Cb 1.23 0.04 -0.24 0.00 -0.41 0.00 0.00 32.23 32.85 2ka9 h LYS 78 CO 0.07 1.01 0.37 0.39 -2.27 0.00 0.00 179.45 179.01 2ka9 n GLU 79 N -4.25 2.20 0.06 1.90 -0.58 0.37 -4.45 120.64 115.89 2ka9 n GLU 79 Ca -0.05 -3.15 -0.02 0.00 -0.42 0.00 0.00 57.16 53.52 2ka9 n GLU 79 Cb 0.52 -2.07 -0.07 0.00 -0.57 0.00 0.00 31.44 29.25 2ka9 n GLU 79 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2ka9 h ALA 80 N 1.15 0.62 0.00 0.62 0.00 -0.88 -3.48 119.26 117.29 2ka9 h ALA 80 Ca 0.48 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2ka9 h ALA 80 Cb 2.19 0.11 0.00 0.00 0.00 0.00 0.00 17.79 20.10 2ka9 h ALA 80 CO 0.90 0.99 0.00 0.41 0.00 0.00 0.00 179.25 181.55 2ka9 n GLY 81 N 1.36 1.35 0.00 0.00 0.00 -1.26 -4.17 105.19 102.46 2ka9 n GLY 81 Ca -0.05 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.07 2ka9 n GLY 81 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ka9 n SER 82 N 3.62 0.20 -3.31 1.61 3.41 -1.26 -4.85 113.62 113.05 2ka9 n SER 82 Ca 0.00 -1.10 -0.10 0.00 -0.26 0.00 0.00 58.87 57.41 2ka9 n SER 82 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 2ka9 n SER 82 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2ka9 s ILE 83 N -0.10 -0.59 -0.31 -1.33 1.01 -1.26 0.10 121.20 118.72 2ka9 s ILE 83 Ca 0.00 -0.52 -0.16 0.00 0.00 0.00 0.00 60.65 59.97 2ka9 s ILE 83 Cb 0.00 -0.67 -0.02 0.00 0.01 0.00 0.00 42.46 41.78 2ka9 s ILE 83 CO 0.00 -0.35 0.44 0.68 0.00 0.00 0.00 174.94 175.71 2ka9 s VAL 84 N 1.97 5.10 -0.76 2.92 -7.23 -1.05 -4.91 120.40 116.44 2ka9 s VAL 84 Ca 0.14 0.42 -0.12 0.00 -1.81 0.00 0.00 61.98 60.62 2ka9 s VAL 84 Cb -0.12 -3.83 0.20 0.00 0.56 0.00 0.00 36.38 33.19 2ka9 s VAL 84 CO -0.15 -0.03 0.67 -0.60 -0.31 0.00 0.00 175.10 174.68 2ka9 s ARG 85 N 2.21 3.32 0.18 4.82 6.06 -1.26 -0.84 118.95 133.43 2ka9 s ARG 85 Ca 0.16 -2.41 0.10 0.00 -2.50 0.00 0.00 55.73 51.09 2ka9 s ARG 85 Cb -0.16 -4.26 -0.04 0.00 0.06 0.00 0.00 34.95 30.55 2ka9 s ARG 85 CO 0.11 -1.27 -0.22 -0.48 -2.50 0.00 0.00 175.30 170.94 2ka9 s LEU 86 N 0.24 2.42 -0.26 -0.88 0.05 -0.57 -2.92 118.68 116.76 2ka9 s LEU 86 Ca 0.16 -0.85 -0.08 0.00 0.05 0.00 0.00 54.13 53.41 2ka9 s LEU 86 Cb -0.14 -1.06 -0.03 0.00 -2.05 0.00 0.00 46.19 42.91 2ka9 s LEU 86 CO -0.07 0.08 0.10 -0.31 -0.55 0.00 0.00 176.35 175.60 2ka9 s TYR 87 N -1.71 3.12 0.38 3.48 1.51 0.39 -1.15 117.35 123.36 2ka9 s TYR 87 Ca 0.18 -0.37 0.07 0.00 -1.01 0.00 0.00 57.07 55.95 2ka9 s TYR 87 Cb -0.08 -2.27 -0.01 0.00 -0.11 0.00 0.00 41.96 39.49 2ka9 s TYR 87 CO 0.08 -0.35 0.41 0.14 -1.11 0.00 0.00 175.55 174.73 2ka9 s VAL 88 N 1.63 3.21 -0.22 0.71 -7.23 0.38 0.23 120.40 119.12 2ka9 s VAL 88 Ca 0.06 -1.22 -0.01 0.00 -1.81 0.00 0.00 61.98 59.00 2ka9 s VAL 88 Cb -0.15 -3.12 0.06 0.00 0.56 0.00 0.00 36.38 33.73 2ka9 s VAL 88 CO 0.05 -0.08 -0.01 -0.04 -0.31 0.00 0.00 175.10 174.72 2ka9 s MET 89 N -4.14 1.15 -0.01 4.82 -1.94 0.17 -1.78 119.30 117.56 2ka9 s MET 89 Ca 0.47 -0.74 0.08 0.00 -1.71 0.00 0.00 55.69 53.78 2ka9 s MET 89 Cb -0.06 -2.36 -0.02 0.00 2.01 0.00 0.00 34.83 34.40 2ka9 s MET 89 CO 0.29 -0.63 -0.24 -0.98 -0.01 0.00 0.00 175.02 173.44 2ka9 s ARG 90 N 1.61 1.93 0.03 2.03 1.04 0.11 -1.33 118.95 124.37 2ka9 s ARG 90 Ca -0.03 -0.89 -0.30 0.00 -1.04 0.00 0.00 55.73 53.47 2ka9 s ARG 90 Cb -0.18 -1.89 -0.07 0.00 -2.04 0.00 0.00 34.95 30.77 2ka9 s ARG 90 CO -0.08 0.51 1.63 1.03 -0.04 0.00 0.00 175.30 178.36 2ka9 s ARG 91 N -0.65 4.20 1.19 3.89 0.52 -1.26 0.12 118.95 126.97 2ka9 s ARG 91 Ca 0.09 2.26 -0.19 0.00 -0.52 0.00 0.00 55.73 57.37 2ka9 s ARG 91 Cb -0.09 -3.69 0.28 0.00 0.52 0.00 0.00 34.95 31.97 2ka9 s ARG 91 CO -0.01 -0.74 1.13 0.15 0.02 0.00 0.00 175.30 175.85 2ka9 s LYS 92 N 2.96 -1.17 -0.58 3.54 1.02 -1.26 -4.80 119.74 119.45 2ka9 s LYS 92 Ca 0.73 -0.12 -0.32 0.00 0.02 0.00 0.00 55.97 56.28 2ka9 s LYS 92 Cb -0.37 -1.61 -0.14 0.00 -0.52 0.00 0.00 37.83 35.19 2ka9 s LYS 92 CO 0.31 -3.67 2.39 -2.30 -0.92 0.00 0.00 175.35 171.16 2ka9 n PRO 93 N -4.72 0.68 0.00 -1.68 -0.02 -1.26 -4.93 135.00 123.07 2ka9 n PRO 93 Ca 0.14 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 2ka9 n PRO 93 Cb 0.60 -2.35 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 2ka9 n PRO 93 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2ka9 n PRO 94 N 8.43 1.37 -1.07 0.52 -0.02 -1.26 -4.99 135.00 137.98 2ka9 n PRO 94 Ca 0.48 0.00 0.04 0.00 -2.02 0.00 0.00 63.50 62.01 2ka9 n PRO 94 Cb 0.23 0.00 0.08 0.00 -0.02 0.00 0.00 33.50 33.79 2ka9 n PRO 94 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ka9 n ALA 95 N -3.00 2.68 -2.60 3.55 0.00 -1.26 -4.79 120.51 115.08 2ka9 n ALA 95 Ca 0.00 -2.49 -0.41 0.00 0.00 0.00 0.00 53.44 50.54 2ka9 n ALA 95 Cb 0.00 -0.59 -0.03 0.00 0.00 0.00 0.00 19.45 18.83 2ka9 n ALA 95 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2ka9 s GLU 96 N -1.05 3.58 0.34 0.00 -6.30 -1.26 -4.61 118.70 109.40 2ka9 s GLU 96 Ca 0.31 -1.18 0.05 0.00 -2.50 0.00 0.00 54.97 51.66 2ka9 s GLU 96 Cb 0.34 -5.28 0.05 0.00 0.00 0.00 0.00 34.13 29.24 2ka9 s GLU 96 CO -0.11 -2.15 0.43 1.63 0.02 0.00 0.00 175.26 175.07 2ka9 n LYS 97 N 8.61 0.81 -3.81 4.30 5.02 -1.25 -4.90 118.16 126.94 2ka9 n LYS 97 Ca 0.31 -1.87 -0.27 0.00 -2.02 0.00 0.00 58.31 54.46 2ka9 n LYS 97 Cb 0.51 -0.08 -0.17 0.00 -0.02 0.00 0.00 35.03 35.27 2ka9 n LYS 97 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2ka9 s VAL 98 N -1.20 0.78 0.61 -0.18 1.01 -1.26 -2.19 120.40 117.96 2ka9 s VAL 98 Ca 0.33 -0.54 -0.05 0.00 0.00 0.00 0.00 61.98 61.71 2ka9 s VAL 98 Cb -0.03 -1.11 0.02 0.00 0.00 0.00 0.00 36.38 35.27 2ka9 s VAL 98 CO 0.21 -0.02 0.91 -0.32 0.00 0.00 0.00 175.10 175.87 2ka9 s MET 99 N 1.76 2.74 -0.23 2.72 1.75 0.40 -4.91 119.30 123.53 2ka9 s MET 99 Ca -0.00 -0.14 -0.02 0.00 -1.25 0.00 0.00 55.69 54.28 2ka9 s MET 99 Cb -0.16 -2.28 0.07 0.00 2.84 0.00 0.00 34.83 35.31 2ka9 s MET 99 CO -0.07 -0.80 0.05 -1.83 -0.65 0.00 0.00 175.02 171.72 2ka9 s GLU 100 N -5.01 0.67 0.20 4.11 -1.05 -1.26 -1.50 118.70 114.85 2ka9 s GLU 100 Ca 0.55 -0.62 0.09 0.00 -0.15 0.00 0.00 54.97 54.85 2ka9 s GLU 100 Cb -0.11 -2.03 -0.04 0.00 -0.44 0.00 0.00 34.13 31.52 2ka9 s GLU 100 CO 0.44 -0.76 -0.07 0.42 0.95 0.00 0.00 175.26 176.24 2ka9 s ILE 101 N 1.80 3.26 -0.07 1.83 -1.09 0.35 -4.99 121.20 122.29 2ka9 s ILE 101 Ca 0.02 -1.70 -0.01 0.00 -2.23 0.00 0.00 60.65 56.73 2ka9 s ILE 101 Cb -0.17 -2.64 0.03 0.00 -1.58 0.00 0.00 42.46 38.09 2ka9 s ILE 101 CO -0.14 -0.16 -0.02 -0.75 -1.23 0.00 0.00 174.94 172.64 2ka9 s LYS 102 N -3.00 0.72 -0.17 2.79 2.20 -1.26 0.13 119.74 121.15 2ka9 s LYS 102 Ca 0.26 0.03 0.01 0.00 -0.36 0.00 0.00 55.97 55.91 2ka9 s LYS 102 Cb -0.08 -0.96 0.03 0.00 -1.51 0.00 0.00 37.83 35.30 2ka9 s LYS 102 CO 0.16 -0.24 -0.14 -1.17 -0.36 0.00 0.00 175.35 173.60 2ka9 s LEU 103 N 1.64 1.99 0.07 5.43 0.20 0.22 -4.56 118.68 123.68 2ka9 s LEU 103 Ca 0.00 -0.65 -0.11 0.00 0.69 0.00 0.00 54.13 54.06 2ka9 s LEU 103 Cb -0.13 -1.27 -0.06 0.00 -0.43 0.00 0.00 46.19 44.30 2ka9 s LEU 103 CO -0.04 -0.07 0.41 0.27 -0.29 0.00 0.00 176.35 176.63 2ka9 s ILE 104 N 1.41 5.07 0.41 6.68 -4.36 -1.26 -0.43 121.20 128.71 2ka9 s ILE 104 Ca 0.03 0.53 -0.26 0.00 -0.26 0.00 0.00 60.65 60.68 2ka9 s ILE 104 Cb -0.14 -3.66 -0.10 0.00 1.25 0.00 0.00 42.46 39.81 2ka9 s ILE 104 CO -0.10 0.32 1.34 1.17 0.24 0.00 0.00 174.94 177.91 2ka9 n LYS 105 N 1.00 2.15 -0.88 0.37 3.00 -0.91 -4.78 118.16 118.11 2ka9 n LYS 105 Ca -0.08 0.76 0.00 0.00 -0.00 0.00 0.00 58.31 58.99 2ka9 n LYS 105 Cb 0.52 -2.47 0.00 0.00 0.00 0.00 0.00 35.03 33.08 2ka9 n LYS 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2ka9 n GLY 106 N 0.70 5.90 0.16 3.14 0.00 0.31 -4.85 105.19 110.54 2ka9 n GLY 106 Ca 0.05 -1.98 -0.17 0.00 0.00 0.00 0.00 46.02 43.92 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 0.50 -0.75 1.61 0.13 -1.98 -3.13 132.00 128.37 2ka9 h PRO 107 Ca 0.00 -0.47 -0.02 0.00 -0.87 0.00 0.00 66.00 64.65 2ka9 h PRO 107 Cb 0.00 0.12 -0.01 0.00 0.13 0.00 0.00 31.00 31.24 2ka9 h PRO 107 CO 0.00 1.11 0.02 1.17 -0.23 0.00 0.00 178.00 180.07 2ka9 n LYS 108 N -4.18 3.39 0.00 0.86 3.00 -1.26 -5.01 118.16 114.96 2ka9 n LYS 108 Ca -0.09 -1.99 0.00 0.00 -0.00 0.00 0.00 58.31 56.23 2ka9 n LYS 108 Cb 0.66 -1.98 0.00 0.00 0.00 0.00 0.00 35.03 33.72 2ka9 n LYS 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2ka9 n GLY 109 N 0.35 0.72 0.14 3.14 0.00 -1.18 -4.35 105.19 104.00 2ka9 n GLY 109 Ca 0.18 -1.71 0.08 0.00 0.00 0.00 0.00 46.02 44.58 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 -1.64 0.99 4.07 -1.86 0.89 115.31 117.76 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 0.17 0.00 0.61 -1.08 0.00 0.00 178.44 178.14 2ka9 n GLY 111 N 1.21 0.56 3.64 0.83 0.00 -1.26 -4.15 105.19 106.02 2ka9 n GLY 111 Ca -0.01 -0.49 -0.03 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.87 -0.05 -0.16 1.61 -0.71 -1.26 -3.44 117.98 111.10 2ka9 s PHE 112 Ca 0.00 0.07 0.00 0.00 -1.04 0.00 0.00 56.93 55.96 2ka9 s PHE 112 Cb 0.00 0.50 -0.00 0.00 -1.21 0.00 0.00 43.02 42.31 2ka9 s PHE 112 CO 0.00 -0.06 -0.15 -1.12 -1.34 0.00 0.00 175.22 172.55 2ka9 s SER 113 N -1.32 3.66 0.05 1.98 0.01 0.33 -4.98 113.70 113.43 2ka9 s SER 113 Ca 0.09 -0.48 -0.03 0.00 1.31 0.00 0.00 55.95 56.85 2ka9 s SER 113 Cb -0.01 -1.57 -0.03 0.00 0.21 0.00 0.00 66.02 64.63 2ka9 s SER 113 CO -0.06 0.07 0.02 0.27 0.41 0.00 0.00 173.24 173.96 2ka9 s ILE 114 N 0.88 0.18 -0.29 1.44 -4.36 -1.26 0.74 121.20 118.53 2ka9 s ILE 114 Ca -0.04 -1.47 -0.13 0.00 -0.26 0.00 0.00 60.65 58.74 2ka9 s ILE 114 Cb -0.15 -1.21 0.10 0.00 1.25 0.00 0.00 42.46 42.45 2ka9 s ILE 114 CO -0.01 -0.81 0.67 0.00 0.24 0.00 0.00 174.94 175.02 2ka9 s ALA 115 N -3.34 -1.94 0.19 2.27 0.00 -0.58 -4.94 121.76 113.42 2ka9 s ALA 115 Ca 0.01 2.37 -0.04 0.00 0.00 0.00 0.00 51.96 54.31 2ka9 s ALA 115 Cb 0.04 -1.58 0.02 0.00 0.00 0.00 0.00 23.12 21.60 2ka9 s ALA 115 CO -0.08 -0.62 0.33 0.41 0.00 0.00 0.00 175.76 175.80 2ka9 n GLY 116 N 4.83 2.04 0.78 0.00 0.00 -1.07 -2.99 105.19 108.77 2ka9 n GLY 116 Ca -0.16 -1.32 0.05 0.00 0.00 0.00 0.00 46.02 44.58 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 -2.16 3.78 -0.02 0.00 -0.23 -3.26 105.19 103.01 2ka9 n GLY 117 Ca -0.02 -1.44 -0.35 0.00 0.00 0.00 0.00 46.02 44.22 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 -1.23 3.32 0.00 1.61 1.01 -1.26 -1.38 120.40 122.47 2ka9 s VAL 118 Ca 0.00 0.81 0.00 0.00 0.00 0.00 0.00 61.98 62.79 2ka9 s VAL 118 Cb 0.00 -3.32 0.00 0.00 0.00 0.00 0.00 36.38 33.06 2ka9 s VAL 118 CO 0.00 -0.19 0.00 0.61 0.00 0.00 0.00 175.10 175.52 2ka9 n GLY 119 N 0.02 3.10 2.65 4.51 0.00 -1.26 0.20 105.19 114.41 2ka9 n GLY 119 Ca 0.11 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.09 2ka9 n GLY 119 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2ka9 n ASN 120 N 0.00 -1.05 0.00 1.61 2.85 -1.20 -4.94 115.26 112.54 2ka9 n ASN 120 Ca 0.00 -1.47 0.08 0.00 -0.11 0.00 0.00 54.58 53.08 2ka9 n ASN 120 Cb 0.00 0.53 0.41 0.00 1.24 0.00 0.00 39.78 41.96 2ka9 n ASN 120 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2ka9 n GLN 121 N 1.58 0.14 0.00 1.20 6.02 -0.48 -2.61 117.38 123.23 2ka9 n GLN 121 Ca 0.01 0.16 0.00 0.00 -0.01 0.00 0.00 57.00 57.16 2ka9 n GLN 121 Cb 0.71 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.47 2ka9 n GLN 121 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63 2ka9 n HIS 122 N -1.37 0.00 -3.08 1.08 -0.00 -1.25 -4.29 115.22 106.30 2ka9 n HIS 122 Ca 0.07 0.00 -0.39 0.00 -0.00 0.00 0.00 57.72 57.39 2ka9 n HIS 122 Cb 0.16 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 30.10 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 4.81 -1.17 3.57 1.01 -1.26 -4.98 121.20 123.19 2ka9 s ILE 123 Ca 0.00 1.46 -0.20 0.00 0.00 0.00 0.00 60.65 61.90 2ka9 s ILE 123 Cb 0.00 -4.03 -0.05 0.00 0.01 0.00 0.00 42.46 38.39 2ka9 s ILE 123 CO 0.00 0.38 1.91 -0.81 0.00 0.00 0.00 174.94 176.42 2ka9 n PRO 124 N 2.79 2.14 0.00 2.79 -0.04 -1.26 -3.37 135.00 138.05 2ka9 n PRO 124 Ca -0.04 -2.59 0.00 0.00 -0.04 0.00 0.00 63.50 60.83 2ka9 n PRO 124 Cb 0.51 -3.47 0.00 0.00 -0.04 0.00 0.00 33.50 30.49 2ka9 n PRO 124 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ka9 n GLY 125 N 5.28 0.93 3.06 0.55 0.00 -1.26 -5.12 105.19 108.63 2ka9 n GLY 125 Ca 0.48 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.54 2ka9 n GLY 125 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ka9 s ASP 126 N -0.82 -0.57 0.65 1.61 2.15 -1.22 -5.01 116.67 113.46 2ka9 s ASP 126 Ca 0.00 -0.04 0.38 0.00 0.43 0.00 0.00 52.55 53.32 2ka9 s ASP 126 Cb 0.00 1.16 2.11 0.00 -0.30 0.00 0.00 42.92 45.88 2ka9 s ASP 126 CO 0.00 -0.09 2.24 0.78 -0.17 0.00 0.00 175.17 177.93 2ka9 h ASN 127 N 6.84 0.00 -2.26 -0.34 2.35 -1.87 -3.41 115.58 116.90 2ka9 h ASN 127 Ca -0.06 0.00 -0.58 0.00 -0.55 0.00 0.00 56.30 55.10 2ka9 h ASN 127 Cb 1.19 0.00 0.06 0.00 0.05 0.00 0.00 38.32 39.62 2ka9 h ASN 127 CO -0.06 0.00 0.80 -1.54 -1.65 0.00 0.00 177.43 174.98 2ka9 n SER 128 N -3.23 3.08 -4.72 5.81 3.41 -1.26 -1.07 113.62 115.63 2ka9 n SER 128 Ca -0.02 1.08 -0.42 0.00 -0.26 0.00 0.00 58.87 59.25 2ka9 n SER 128 Cb 0.17 -1.42 -0.03 0.00 -0.26 0.00 0.00 64.21 62.67 2ka9 n SER 128 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2ka9 s ILE 129 N 0.99 2.87 0.33 -1.33 1.01 -1.08 -4.69 121.20 119.29 2ka9 s ILE 129 Ca 0.79 0.64 0.07 0.00 0.00 0.00 0.00 60.65 62.15 2ka9 s ILE 129 Cb -0.68 -3.41 -0.06 0.00 0.01 0.00 0.00 42.46 38.31 2ka9 s ILE 129 CO 0.38 0.06 -0.03 -0.31 0.00 0.00 0.00 174.94 175.04 2ka9 s TYR 130 N 0.94 2.16 0.16 3.97 1.51 -1.16 -0.06 117.35 124.87 2ka9 s TYR 130 Ca 0.66 -0.70 0.04 0.00 -1.01 0.00 0.00 57.07 56.06 2ka9 s TYR 130 Cb -0.41 -1.33 -0.04 0.00 -0.11 0.00 0.00 41.96 40.08 2ka9 s TYR 130 CO 0.33 0.33 0.24 0.08 -1.11 0.00 0.00 175.55 175.42 2ka9 s VAL 131 N -2.92 5.04 0.02 0.71 1.01 -0.70 -1.53 120.40 122.03 2ka9 s VAL 131 Ca 0.32 -0.85 -0.04 0.00 0.00 0.00 0.00 61.98 61.41 2ka9 s VAL 131 Cb 0.06 -3.61 -0.02 0.00 0.00 0.00 0.00 36.38 32.81 2ka9 s VAL 131 CO 0.15 -0.13 -0.08 0.35 0.00 0.00 0.00 175.10 175.39 2ka9 n THR 132 N -0.58 1.21 -3.77 3.92 -2.24 0.23 -4.17 114.28 108.87 2ka9 n THR 132 Ca -0.08 0.30 -0.13 0.00 -2.27 0.00 0.00 64.05 61.87 2ka9 n THR 132 Cb 0.55 -1.75 -0.09 0.00 -2.10 0.00 0.00 70.33 66.93 2ka9 n THR 132 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2ka9 s LYS 133 N -2.21 0.62 0.00 -0.78 2.36 -1.17 -4.62 119.74 113.94 2ka9 s LYS 133 Ca -0.07 -0.12 0.03 0.00 -2.55 0.00 0.00 55.97 53.26 2ka9 s LYS 133 Cb 0.01 0.28 -0.01 0.00 -1.05 0.00 0.00 37.83 37.06 2ka9 s LYS 133 CO 0.10 -0.16 -0.11 0.42 1.55 0.00 0.00 175.35 177.16 2ka9 s ILE 134 N -1.14 0.83 0.90 5.43 1.01 -1.26 0.12 121.20 127.09 2ka9 s ILE 134 Ca -0.12 -0.57 -0.14 0.00 0.00 0.00 0.00 60.65 59.82 2ka9 s ILE 134 Cb -0.05 -0.72 0.15 0.00 0.01 0.00 0.00 42.46 41.85 2ka9 s ILE 134 CO 0.04 0.14 1.26 -0.63 0.00 0.00 0.00 174.94 175.75 2ka9 s ILE 135 N -0.42 1.99 0.19 2.92 -1.09 -1.22 -5.00 121.20 118.58 2ka9 s ILE 135 Ca 0.03 0.00 -0.06 0.00 -2.23 0.00 0.00 60.65 58.39 2ka9 s ILE 135 Cb -0.05 -2.99 -0.06 0.00 -1.58 0.00 0.00 42.46 37.78 2ka9 s ILE 135 CO -0.00 0.00 0.45 -1.61 -1.23 0.00 0.00 174.94 172.55 2ka9 s GLU 136 N -5.74 3.66 -1.76 2.79 2.02 -1.26 -4.17 118.70 114.24 2ka9 s GLU 136 Ca 0.69 0.00 0.00 0.00 0.02 0.00 0.00 54.97 55.68 2ka9 s GLU 136 Cb -0.07 -2.76 0.00 0.00 0.10 0.00 0.00 34.13 31.39 2ka9 s GLU 136 CO 0.51 0.39 0.00 0.41 0.02 0.00 0.00 175.26 176.59 2ka9 n GLY 137 N -0.18 0.59 0.00 -1.39 0.00 -1.26 -4.96 105.19 97.99 2ka9 n GLY 137 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.66 -1.48 0.04 -0.02 0.00 -1.26 -4.93 105.19 96.89 2ka9 n GLY 138 Ca -0.20 -1.60 -0.01 0.00 0.00 0.00 0.00 46.02 44.20 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 0.00 -0.07 4.61 0.00 -1.85 -3.28 119.26 116.67 2ka9 h ALA 139 Ca 0.00 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.62 2ka9 h ALA 139 Cb 0.00 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2ka9 h ALA 139 CO 0.00 0.15 -0.49 0.00 0.00 0.00 0.00 179.25 178.91 2ka9 h ALA 140 N -1.23 1.05 -0.19 0.00 0.00 -1.80 -1.96 119.26 115.13 2ka9 h ALA 140 Ca 0.00 -0.46 0.02 0.00 0.00 0.00 0.00 54.91 54.46 2ka9 h ALA 140 Cb 0.15 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2ka9 h ALA 140 CO 0.00 0.64 0.07 1.25 0.00 0.00 0.00 179.25 181.22 2ka9 h HIS 141 N 0.13 0.13 -0.01 0.00 6.17 -1.84 1.55 115.15 121.28 2ka9 h HIS 141 Ca 0.00 0.01 -0.01 0.00 0.71 0.00 0.00 60.37 61.08 2ka9 h HIS 141 Cb 0.92 -0.03 0.00 0.00 2.52 0.00 0.00 27.41 30.82 2ka9 h HIS 141 CO 0.01 0.07 -0.04 0.87 0.71 0.00 0.00 177.93 179.55 2ka9 h LYS 142 N 0.17 0.05 0.00 5.26 1.79 -1.60 -2.07 116.57 120.17 2ka9 h LYS 142 Ca 0.08 -0.04 -0.00 0.00 -2.18 0.00 0.00 60.65 58.51 2ka9 h LYS 142 Cb 0.04 0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 30.69 2ka9 h LYS 142 CO -0.07 0.66 -0.01 0.22 -1.08 0.00 0.00 179.45 179.17 2ka9 h ASP 143 N -0.56 0.00 -0.21 0.86 1.82 -1.32 -3.36 116.42 113.65 2ka9 h ASP 143 Ca -0.00 -0.06 -0.04 0.00 -0.39 0.00 0.00 57.03 56.54 2ka9 h ASP 143 Cb 0.67 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.66 2ka9 h ASP 143 CO 0.01 0.54 0.04 1.23 -1.61 0.00 0.00 179.24 179.44 2ka9 h GLY 144 N -1.00 0.48 -0.31 -0.78 0.00 0.19 -3.46 103.07 98.19 2ka9 h GLY 144 Ca -0.00 -0.26 -0.13 0.00 0.00 0.00 0.00 47.33 46.94 2ka9 h GLY 144 CO -0.00 0.24 -0.12 0.54 0.00 0.00 0.00 176.54 177.20 2ka9 n ARG 145 N -4.33 -1.15 -2.44 4.80 5.12 0.49 -4.97 116.66 114.18 2ka9 n ARG 145 Ca 0.01 0.64 -0.38 0.00 -1.93 0.00 0.00 57.85 56.19 2ka9 n ARG 145 Cb 0.20 -4.67 -0.03 0.00 -1.16 0.00 0.00 32.46 26.80 2ka9 n ARG 145 CO 0.00 0.00 0.00 -0.48 -1.93 0.00 0.00 177.63 175.22 2ka9 s LEU 146 N -1.46 4.21 0.27 0.55 2.34 -1.25 -5.02 118.68 118.31 2ka9 s LEU 146 Ca 0.00 2.18 0.02 0.00 0.06 0.00 0.00 54.13 56.39 2ka9 s LEU 146 Cb 0.00 -4.06 -0.04 0.00 -0.56 0.00 0.00 46.19 41.53 2ka9 s LEU 146 CO 0.00 -0.52 0.14 -1.10 -1.06 0.00 0.00 176.35 173.81 2ka9 s GLN 147 N -2.29 1.45 -0.78 1.48 -0.21 -1.26 -4.71 119.66 113.33 2ka9 s GLN 147 Ca 0.56 -1.80 -0.27 0.00 0.02 0.00 0.00 55.36 53.86 2ka9 s GLN 147 Cb -0.26 -0.05 -0.16 0.00 1.00 0.00 0.00 33.01 33.54 2ka9 s GLN 147 CO 0.33 -0.39 2.53 -0.89 -2.12 0.00 0.00 175.29 174.75 2ka9 n ILE 148 N -0.47 -0.04 0.00 1.08 5.41 -1.26 -0.03 119.36 124.05 2ka9 n ILE 148 Ca 0.01 -0.39 0.00 0.00 1.00 0.00 0.00 62.75 63.37 2ka9 n ILE 148 Cb 0.65 -1.50 0.00 0.00 -0.71 0.00 0.00 39.64 38.09 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 6.25 0.81 3.66 7.39 0.00 -1.26 -5.05 105.19 117.00 2ka9 n GLY 149 Ca 0.53 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 46.13 2ka9 n GLY 149 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ka9 s ASP 150 N 0.00 6.67 -0.26 1.61 1.11 0.96 -4.79 116.67 121.98 2ka9 s ASP 150 Ca 0.00 2.23 -0.08 0.00 0.18 0.00 0.00 52.55 54.88 2ka9 s ASP 150 Cb 0.00 -2.53 -0.03 0.00 1.07 0.00 0.00 42.92 41.43 2ka9 s ASP 150 CO 0.00 -0.92 0.09 -1.59 1.18 0.00 0.00 175.17 173.93 2ka9 s LYS 151 N 3.97 3.67 -0.13 8.23 0.00 -1.26 -1.72 119.74 132.49 2ka9 s LYS 151 Ca 0.73 -0.47 -0.17 0.00 0.00 0.00 0.00 55.97 56.05 2ka9 s LYS 151 Cb -0.33 -3.37 -0.04 0.00 0.00 0.00 0.00 37.83 34.08 2ka9 s LYS 151 CO 0.29 -0.20 0.44 0.42 0.00 0.00 0.00 175.35 176.30 2ka9 s ILE 152 N 1.63 5.21 -2.27 3.79 1.01 0.92 -0.87 121.20 130.62 2ka9 s ILE 152 Ca 0.06 0.87 0.29 0.00 0.00 0.00 0.00 60.65 61.87 2ka9 s ILE 152 Cb -0.15 -3.78 0.62 0.00 0.01 0.00 0.00 42.46 39.16 2ka9 s ILE 152 CO 0.05 0.33 1.87 0.00 0.00 0.00 0.00 174.94 177.19 2ka9 n LEU 153 N 3.70 1.02 0.00 2.97 -0.00 0.16 -2.63 117.00 122.22 2ka9 n LEU 153 Ca -0.08 -0.32 0.00 0.00 -0.00 0.00 0.00 56.01 55.61 2ka9 n LEU 153 Cb 0.52 -0.02 0.00 0.00 -0.00 0.00 0.00 43.42 43.92 2ka9 n LEU 153 CO 0.42 0.17 0.00 0.00 -0.00 0.00 0.00 177.39 177.99 2ka9 n ALA 154 N -0.25 0.00 -3.61 1.47 0.00 -1.23 -3.57 120.51 113.32 2ka9 n ALA 154 Ca 0.20 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.24 2ka9 n ALA 154 Cb 0.29 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.64 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 3.98 0.00 0.00 1.01 0.99 -1.06 120.40 123.32 2ka9 s VAL 155 Ca 0.00 -1.90 0.00 0.00 0.00 0.00 0.00 61.98 60.08 2ka9 s VAL 155 Cb 0.00 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.74 2ka9 s VAL 155 CO 0.00 -0.76 0.00 0.59 0.00 0.00 0.00 175.10 174.93 2ka9 n ASN 156 N 4.78 0.00 -0.41 3.32 3.02 0.65 -1.34 115.26 125.27 2ka9 n ASN 156 Ca -0.06 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.48 2ka9 n ASN 156 Cb 0.41 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.57 2ka9 n ASN 156 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2ka9 n SER 157 N 2.64 -0.16 -4.12 6.41 2.88 -1.26 -4.96 113.62 115.05 2ka9 n SER 157 Ca 0.00 -0.67 -0.12 0.00 -1.33 0.00 0.00 58.87 56.76 2ka9 n SER 157 Cb 0.00 0.05 -0.11 0.00 -0.75 0.00 0.00 64.21 63.40 2ka9 n SER 157 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 2ka9 s VAL 158 N 0.00 0.62 0.00 2.46 1.01 -0.45 -4.80 120.40 119.24 2ka9 s VAL 158 Ca 0.00 -1.53 0.00 0.00 0.00 0.00 0.00 61.98 60.45 2ka9 s VAL 158 Cb 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 36.38 35.21 2ka9 s VAL 158 CO 0.00 -0.64 0.00 0.61 0.00 0.00 0.00 175.10 175.07 2ka9 n GLY 159 N 0.67 1.37 0.68 4.51 0.00 -1.26 0.33 105.19 111.49 2ka9 n GLY 159 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 0.74 -2.14 0.99 4.32 -1.23 -4.40 117.00 115.28 2ka9 n LEU 160 Ca 0.00 -0.37 -0.07 0.00 -0.02 0.00 0.00 56.01 55.55 2ka9 n LEU 160 Cb 0.00 -0.22 0.04 0.00 -1.62 0.00 0.00 43.42 41.62 2ka9 n LEU 160 CO 0.00 0.15 0.03 -0.62 -1.22 0.00 0.00 177.39 175.73 2ka9 n GLU 161 N 0.47 -2.12 -0.98 3.23 1.02 -1.26 -4.97 120.64 116.02 2ka9 n GLU 161 Ca 0.00 0.37 -0.01 0.00 -0.02 0.00 0.00 57.16 57.50 2ka9 n GLU 161 Cb 0.15 -3.73 -0.02 0.00 -0.02 0.00 0.00 31.44 27.82 2ka9 n GLU 161 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2ka9 n ASP 162 N -2.06 -0.02 0.00 1.62 8.00 -1.26 -5.03 116.55 117.81 2ka9 n ASP 162 Ca -0.09 -1.82 0.00 0.00 0.71 0.00 0.00 54.79 53.59 2ka9 n ASP 162 Cb 0.57 -0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.64 2ka9 n ASP 162 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2ka9 n VAL 163 N 0.16 0.00 0.00 2.53 0.31 -1.26 -5.00 118.33 115.07 2ka9 n VAL 163 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 2ka9 n VAL 163 Cb 0.81 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.74 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 -0.68 0.00 -0.05 5.55 2.81 -1.26 -4.68 117.12 118.81 2ka9 n MET 164 Ca 0.00 0.00 0.22 0.00 -1.81 0.00 0.00 57.70 56.11 2ka9 n MET 164 Cb 0.00 0.00 0.69 0.00 -0.71 0.00 0.00 33.22 33.20 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 0.03 -0.12 2.03 2.76 -0.23 0.26 115.15 119.88 2ka9 h HIS 165 Ca 0.00 0.00 -0.20 0.00 -2.20 0.00 0.00 60.37 57.97 2ka9 h HIS 165 Cb 0.00 -0.01 0.01 0.00 1.55 0.00 0.00 27.41 28.96 2ka9 h HIS 165 CO 0.00 0.01 -0.72 1.49 -1.30 0.00 0.00 177.93 177.41 2ka9 h GLU 166 N 0.02 0.70 0.01 5.26 4.57 -1.87 -0.74 114.58 122.53 2ka9 h GLU 166 Ca 0.30 -0.59 -0.21 0.00 -1.18 0.00 0.00 59.36 57.68 2ka9 h GLU 166 Cb 1.18 0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 29.89 2ka9 h GLU 166 CO -0.01 1.20 -0.92 -0.44 -1.18 0.00 0.00 179.01 177.67 2ka9 h ASP 167 N 0.39 0.36 -0.21 1.04 5.19 -1.44 0.19 116.42 121.93 2ka9 h ASP 167 Ca -0.06 -0.29 -0.16 0.00 -0.62 0.00 0.00 57.03 55.91 2ka9 h ASP 167 Cb 1.36 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 40.75 2ka9 h ASP 167 CO 0.15 1.10 -0.43 0.00 -3.12 0.00 0.00 179.24 176.93 2ka9 h ALA 168 N 0.88 0.66 -0.09 3.45 0.00 -0.61 0.42 119.26 123.97 2ka9 h ALA 168 Ca -0.06 -0.47 -0.19 0.00 0.00 0.00 0.00 54.91 54.19 2ka9 h ALA 168 Cb 1.55 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 19.25 2ka9 h ALA 168 CO 0.15 0.67 -0.70 0.28 0.00 0.00 0.00 179.25 179.65 2ka9 h VAL 169 N 0.62 1.33 0.00 0.00 2.07 -1.09 -2.21 116.25 116.98 2ka9 h VAL 169 Ca 0.04 -1.98 -0.08 0.00 0.82 0.00 0.00 66.70 65.50 2ka9 h VAL 169 Cb 0.99 2.22 -0.01 0.00 -1.52 0.00 0.00 31.29 32.97 2ka9 h VAL 169 CO 0.09 0.61 -0.36 0.00 0.02 0.00 0.00 177.57 177.93 2ka9 h ALA 170 N 0.46 1.02 -0.16 1.67 0.00 -0.57 -1.78 119.26 119.90 2ka9 h ALA 170 Ca -0.06 -0.33 -0.13 0.00 0.00 0.00 0.00 54.91 54.39 2ka9 h ALA 170 Cb 1.35 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2ka9 h ALA 170 CO 0.14 0.45 -0.42 0.00 0.00 0.00 0.00 179.25 179.42 2ka9 h ALA 171 N 1.64 0.26 -0.34 0.00 0.00 -0.09 0.94 119.26 121.68 2ka9 h ALA 171 Ca -0.00 -0.46 -0.11 0.00 0.00 0.00 0.00 54.91 54.33 2ka9 h ALA 171 Cb 0.86 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2ka9 h ALA 171 CO 0.05 0.38 -0.25 1.37 0.00 0.00 0.00 179.25 180.79 2ka9 h LEU 172 N 0.21 0.68 -0.56 0.00 8.10 -1.32 -1.78 115.31 120.63 2ka9 h LEU 172 Ca -0.01 -0.25 -0.10 0.00 0.11 0.00 0.00 57.88 57.64 2ka9 h LEU 172 Cb 1.03 -0.19 -0.01 0.00 -0.44 0.00 0.00 40.66 41.05 2ka9 h LEU 172 CO 0.09 0.91 -0.47 0.50 -4.11 0.00 0.00 178.44 175.37 2ka9 h LYS 173 N 0.58 0.00 -0.30 0.17 3.64 -1.25 -3.26 116.57 116.16 2ka9 h LYS 173 Ca 0.08 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.50 2ka9 h LYS 173 Cb 0.74 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.52 2ka9 h LYS 173 CO 0.06 0.47 0.05 -0.91 -2.27 0.00 0.00 179.45 176.85 2ka9 h ASN 174 N 0.00 -0.00 -0.65 4.20 2.35 0.18 -2.66 115.58 119.01 2ka9 h ASN 174 Ca -0.00 0.05 0.12 0.00 -0.55 0.00 0.00 56.30 55.92 2ka9 h ASN 174 Cb 1.12 0.07 -0.12 0.00 0.05 0.00 0.00 38.32 39.44 2ka9 h ASN 174 CO 0.06 0.03 -0.27 0.71 -1.65 0.00 0.00 177.43 176.31 2ka9 h THR 175 N 0.16 0.21 -3.97 2.81 1.35 -1.57 -3.48 112.91 108.42 2ka9 h THR 175 Ca 0.14 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.00 2ka9 h THR 175 Cb 0.15 0.21 -0.03 0.00 -1.73 0.00 0.00 68.15 66.76 2ka9 h THR 175 CO -0.19 0.00 -0.79 0.00 -0.25 0.00 0.00 175.52 174.29 2ka9 n TYR 176 N -5.45 -3.20 0.00 4.73 9.36 -1.00 -4.50 117.16 117.10 2ka9 n TYR 176 Ca 0.06 1.89 0.00 0.00 3.32 0.00 0.00 57.90 63.18 2ka9 n TYR 176 Cb 0.36 -3.22 0.00 0.00 -0.63 0.00 0.00 39.34 35.85 2ka9 n TYR 176 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 2ka9 n ASP 177 N 1.21 0.00 -3.35 2.98 -0.08 -1.26 -4.86 116.55 111.19 2ka9 n ASP 177 Ca -0.08 0.00 -0.15 0.00 -1.51 0.00 0.00 54.79 53.05 2ka9 n ASP 177 Cb 0.13 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.52 2ka9 n ASP 177 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2ka9 s VAL 178 N -0.90 -0.42 0.06 5.18 1.01 -1.26 -2.15 120.40 121.92 2ka9 s VAL 178 Ca 0.00 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.27 2ka9 s VAL 178 Cb 0.00 -0.74 -0.04 0.00 0.00 0.00 0.00 36.38 35.60 2ka9 s VAL 178 CO 0.00 -0.49 0.03 -0.69 0.00 0.00 0.00 175.10 173.96 2ka9 s VAL 179 N 1.78 4.29 -0.04 2.92 1.01 0.42 -4.78 120.40 126.00 2ka9 s VAL 179 Ca 0.14 -0.78 0.05 0.00 0.00 0.00 0.00 61.98 61.40 2ka9 s VAL 179 Cb -0.14 -3.01 -0.01 0.00 0.00 0.00 0.00 36.38 33.22 2ka9 s VAL 179 CO -0.13 0.20 -0.20 -0.47 0.00 0.00 0.00 175.10 174.50 2ka9 s TYR 180 N -1.28 1.94 -0.02 5.22 6.14 -1.26 0.72 117.35 128.81 2ka9 s TYR 180 Ca 0.25 -0.54 0.02 0.00 0.64 0.00 0.00 57.07 57.44 2ka9 s TYR 180 Cb -0.12 -1.29 0.00 0.00 0.42 0.00 0.00 41.96 40.97 2ka9 s TYR 180 CO 0.17 -0.17 -0.09 -0.51 0.64 0.00 0.00 175.55 175.60 2ka9 s LEU 181 N -0.08 1.83 -0.36 6.97 1.02 0.12 0.24 118.68 128.41 2ka9 s LEU 181 Ca -0.02 -0.17 -0.16 0.00 0.02 0.00 0.00 54.13 53.79 2ka9 s LEU 181 Cb -0.12 -0.51 -0.00 0.00 0.02 0.00 0.00 46.19 45.58 2ka9 s LEU 181 CO 0.02 0.07 0.42 -0.54 0.02 0.00 0.00 176.35 176.34 2ka9 s LYS 182 N 0.12 3.46 0.29 1.70 1.02 -0.23 -0.50 119.74 125.61 2ka9 s LYS 182 Ca -0.02 -0.44 0.06 0.00 0.02 0.00 0.00 55.97 55.59 2ka9 s LYS 182 Cb -0.07 -3.85 -0.02 0.00 -0.52 0.00 0.00 37.83 33.37 2ka9 s LYS 182 CO 0.00 -0.64 0.37 0.08 -0.92 0.00 0.00 175.35 174.24 2ka9 s VAL 183 N 2.14 4.41 -0.01 3.17 1.01 -0.57 0.36 120.40 130.91 2ka9 s VAL 183 Ca 0.14 -1.11 0.00 0.00 0.00 0.00 0.00 61.98 61.01 2ka9 s VAL 183 Cb -0.16 -3.51 0.01 0.00 0.00 0.00 0.00 36.38 32.72 2ka9 s VAL 183 CO 0.13 -0.24 -0.00 0.00 0.00 0.00 0.00 175.10 174.98 2ka9 s ALA 184 N -2.13 0.20 0.10 5.51 0.00 -0.05 0.15 121.76 125.54 2ka9 s ALA 184 Ca 0.39 0.08 -0.26 0.00 0.00 0.00 0.00 51.96 52.17 2ka9 s ALA 184 Cb -0.09 -0.17 -0.07 0.00 0.00 0.00 0.00 23.12 22.80 2ka9 s ALA 184 CO 0.29 -0.02 0.80 0.15 0.00 0.00 0.00 175.76 176.97 2ka9 s LYS 185 N 0.52 4.55 -0.05 0.00 -0.14 -0.93 -4.12 119.74 119.57 2ka9 s LYS 185 Ca -0.05 1.15 -0.37 0.00 -1.36 0.00 0.00 55.97 55.35 2ka9 s LYS 185 Cb -0.07 -3.32 -0.15 0.00 -1.68 0.00 0.00 37.83 32.60 2ka9 s LYS 185 CO -0.01 0.39 1.61 -2.30 -0.76 0.00 0.00 175.35 174.28 2ka9 n PRO 186 N 2.30 1.51 -0.89 -1.68 -0.02 -1.26 -3.81 135.00 131.16 2ka9 n PRO 186 Ca -0.03 0.55 -0.33 0.00 -2.02 0.00 0.00 63.50 61.66 2ka9 n PRO 186 Cb 0.49 -2.27 0.12 0.00 -0.02 0.00 0.00 33.50 31.82 2ka9 n PRO 186 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2ka9 n SER 187 N 4.36 -1.56 -2.53 2.55 3.41 -1.26 -2.17 113.62 116.42 2ka9 n SER 187 Ca 0.22 0.40 -0.11 0.00 -0.26 0.00 0.00 58.87 59.11 2ka9 n SER 187 Cb 0.21 -1.25 -0.00 0.00 -0.26 0.00 0.00 64.21 62.91 2ka9 n SER 187 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2ka9 n ASN 188 N -1.46 -3.33 0.00 4.04 2.85 -1.26 -4.77 115.26 111.32 2ka9 n ASN 188 Ca 0.08 0.20 0.00 0.00 -0.11 0.00 0.00 54.58 54.75 2ka9 n ASN 188 Cb 0.53 -2.86 0.00 0.00 1.24 0.00 0.00 39.78 38.69 2ka9 n ASN 188 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15