#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kb8 s MET 1 N 0.00 1.81 0.24 0.00 1.00 -1.26 -5.05 119.30 116.03 3kb8 s MET 1 Ca 0.00 -1.50 -0.07 0.00 0.00 0.00 0.00 55.69 54.12 3kb8 s MET 1 Cb 0.00 -1.96 0.26 0.00 0.00 0.00 0.00 34.83 33.14 3kb8 s MET 1 CO 0.00 0.39 1.89 0.52 0.00 0.00 0.00 175.02 177.81 3kb8 h MET 2 N 2.73 1.09 -0.49 2.03 2.07 -2.04 -2.27 114.93 118.04 3kb8 h MET 2 Ca -0.45 -0.07 0.14 0.00 -2.07 0.00 0.00 59.70 57.26 3kb8 h MET 2 Cb 1.22 -0.25 -0.02 0.00 -1.87 0.00 0.00 31.60 30.69 3kb8 h MET 2 CO 0.54 0.72 0.36 -0.91 1.07 0.00 0.00 176.91 178.69 3kb8 h ASN 3 N 1.12 0.00 0.41 1.22 4.21 -1.96 0.38 115.58 120.95 3kb8 h ASN 3 Ca 0.35 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.86 3kb8 h ASN 3 Cb -0.02 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.18 3kb8 h ASN 3 CO -0.11 0.00 0.00 -0.61 -1.29 0.00 0.00 177.43 175.42 3kb8 h GLN 4 N 0.00 0.00 -0.01 0.81 5.75 -1.83 -1.35 115.11 118.48 3kb8 h GLN 4 Ca 0.23 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.73 3kb8 h GLN 4 Cb 0.95 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.50 3kb8 h GLN 4 CO -0.00 0.00 -0.42 -0.25 -2.65 0.00 0.00 178.83 175.51 3kb8 n ASP 5 N -2.62 1.50 -4.59 -0.69 8.00 0.12 -4.88 116.55 113.39 3kb8 n ASP 5 Ca -0.00 -1.19 -0.38 0.00 0.71 0.00 0.00 54.79 53.93 3kb8 n ASP 5 Cb 0.15 0.36 -0.11 0.00 -0.02 0.00 0.00 41.12 41.50 3kb8 n ASP 5 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3kb8 s ILE 6 N -2.53 5.28 0.17 0.53 -1.09 -0.51 -1.35 121.20 121.69 3kb8 s ILE 6 Ca 0.20 0.21 0.03 0.00 -2.23 0.00 0.00 60.65 58.86 3kb8 s ILE 6 Cb 0.18 -3.59 -0.15 0.00 -1.58 0.00 0.00 42.46 37.33 3kb8 s ILE 6 CO 0.57 0.20 1.38 -0.08 -1.23 0.00 0.00 174.94 175.78 3kb8 h GLU 7 N 8.35 0.18 -1.55 2.79 4.81 -0.46 -3.46 114.58 125.24 3kb8 h GLU 7 Ca -0.34 -0.20 0.09 0.00 -0.13 0.00 0.00 59.36 58.78 3kb8 h GLU 7 Cb 1.18 0.06 -0.27 0.00 0.63 0.00 0.00 28.75 30.35 3kb8 h GLU 7 CO 0.58 0.94 0.44 0.21 -0.73 0.00 0.00 179.01 180.45 3kb8 s LYS 8 N -3.20 0.43 -0.30 1.92 2.20 -1.18 -5.00 119.74 114.60 3kb8 s LYS 8 Ca -0.03 0.61 -0.29 0.00 -0.36 0.00 0.00 55.97 55.91 3kb8 s LYS 8 Cb 0.10 0.16 0.01 0.00 -1.51 0.00 0.00 37.83 36.59 3kb8 s LYS 8 CO 0.83 -0.07 1.04 0.08 -0.36 0.00 0.00 175.35 176.87 3kb8 s VAL 9 N 0.75 4.56 -0.09 4.02 1.01 -1.26 -1.01 120.40 128.38 3kb8 s VAL 9 Ca -0.02 1.74 -0.20 0.00 0.00 0.00 0.00 61.98 63.50 3kb8 s VAL 9 Cb -0.04 -4.38 -0.29 0.00 0.00 0.00 0.00 36.38 31.67 3kb8 s VAL 9 CO -0.11 -0.41 0.71 -0.07 0.00 0.00 0.00 175.10 175.22 3kb8 h LEU 10 N 9.93 0.37 -7.41 3.92 3.38 -1.26 -3.45 115.31 120.79 3kb8 h LEU 10 Ca -0.21 -0.89 -0.48 0.00 0.09 0.00 0.00 57.88 56.39 3kb8 h LEU 10 Cb 1.06 -0.12 -0.39 0.00 0.09 0.00 0.00 40.66 41.30 3kb8 h LEU 10 CO 1.01 1.46 -0.77 -0.63 0.09 0.00 0.00 178.44 179.61 3kb8 s ILE 11 N -2.43 0.51 0.67 1.22 1.01 -0.93 -5.03 121.20 116.23 3kb8 s ILE 11 Ca -0.17 -0.24 -0.12 0.00 0.00 0.00 0.00 60.65 60.12 3kb8 s ILE 11 Cb 0.02 -0.82 -0.00 0.00 0.01 0.00 0.00 42.46 41.67 3kb8 s ILE 11 CO 0.78 0.05 1.06 -0.94 0.00 0.00 0.00 174.94 175.90 3kb8 s SER 12 N 1.89 5.44 0.21 3.58 1.04 -1.26 -1.44 113.70 123.16 3kb8 s SER 12 Ca 0.02 1.68 -0.09 0.00 0.48 0.00 0.00 55.95 58.05 3kb8 s SER 12 Cb -0.15 -2.51 0.31 0.00 0.10 0.00 0.00 66.02 63.77 3kb8 s SER 12 CO -0.07 -1.40 1.74 -0.08 0.98 0.00 0.00 173.24 174.41 3kb8 h GLU 13 N -0.43 0.39 -0.54 4.02 4.81 -1.95 0.67 114.58 121.55 3kb8 h GLU 13 Ca -0.45 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 58.77 3kb8 h GLU 13 Cb 1.21 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.48 3kb8 h GLU 13 CO 0.57 0.26 0.35 1.49 -0.73 0.00 0.00 179.01 180.94 3kb8 h GLU 14 N 0.40 0.69 -0.77 1.92 4.81 -1.93 0.17 114.58 119.88 3kb8 h GLU 14 Ca 0.32 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.50 3kb8 h GLU 14 Cb 0.42 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.61 3kb8 h GLU 14 CO -0.33 0.46 0.43 1.96 -0.73 0.00 0.00 179.01 180.79 3kb8 h GLN 15 N 0.71 1.07 -0.13 1.92 4.20 -1.57 -1.58 115.11 119.72 3kb8 h GLN 15 Ca 0.20 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 3kb8 h GLN 15 Cb -0.07 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.50 3kb8 h GLN 15 CO -0.05 0.79 0.03 0.82 -0.67 0.00 0.00 178.83 179.75 3kb8 h ILE 16 N 1.06 1.20 -0.86 2.54 2.04 -0.57 -1.06 117.51 121.86 3kb8 h ILE 16 Ca 0.27 -0.63 0.04 0.00 1.00 0.00 0.00 64.86 65.54 3kb8 h ILE 16 Cb 0.03 1.37 -0.05 0.00 -0.74 0.00 0.00 36.82 37.42 3kb8 h ILE 16 CO -0.04 0.19 0.57 1.56 0.00 0.00 0.00 178.15 180.42 3kb8 h GLN 17 N 0.02 1.03 -0.37 2.37 4.20 -0.51 -0.45 115.11 121.40 3kb8 h GLN 17 Ca 0.04 -0.06 -0.12 0.00 0.06 0.00 0.00 58.65 58.57 3kb8 h GLN 17 Cb 0.26 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 3kb8 h GLN 17 CO 0.00 0.68 -0.22 1.49 -0.67 0.00 0.00 178.83 180.11 3kb8 h GLU 18 N 1.06 0.80 -0.53 1.46 4.81 -1.11 -2.37 114.58 118.70 3kb8 h GLU 18 Ca 0.35 -0.37 -0.11 0.00 -0.13 0.00 0.00 59.36 59.10 3kb8 h GLU 18 Cb 0.05 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 3kb8 h GLU 18 CO -0.11 1.00 -0.09 -0.22 -0.73 0.00 0.00 179.01 178.86 3kb8 h LYS 19 N 0.60 0.99 -0.30 1.92 1.63 -0.75 -2.64 116.57 118.01 3kb8 h LYS 19 Ca 0.08 -0.35 -0.05 0.00 -0.85 0.00 0.00 60.65 59.48 3kb8 h LYS 19 Cb 0.78 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 32.32 3kb8 h LYS 19 CO 0.06 1.02 -0.03 0.28 -3.45 0.00 0.00 179.45 177.34 3kb8 h VAL 20 N 0.89 1.19 -0.33 2.00 2.07 -1.05 0.69 116.25 121.71 3kb8 h VAL 20 Ca 0.14 -0.79 -0.08 0.00 0.82 0.00 0.00 66.70 66.80 3kb8 h VAL 20 Cb 0.64 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 3kb8 h VAL 20 CO 0.04 0.27 -0.10 0.25 0.02 0.00 0.00 177.57 178.05 3kb8 h LEU 21 N 0.45 0.66 -0.30 2.57 5.85 -1.22 -0.87 115.31 122.46 3kb8 h LEU 21 Ca 0.10 -0.37 -0.03 0.00 0.84 0.00 0.00 57.88 58.41 3kb8 h LEU 21 Cb 0.34 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 3kb8 h LEU 21 CO 0.01 0.88 0.05 -0.08 -0.34 0.00 0.00 178.44 178.96 3kb8 h GLU 22 N 0.43 0.49 -0.51 1.25 4.81 -1.08 -2.71 114.58 117.26 3kb8 h GLU 22 Ca 0.08 -0.13 -0.08 0.00 -0.13 0.00 0.00 59.36 59.10 3kb8 h GLU 22 Cb 0.60 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.90 3kb8 h GLU 22 CO 0.04 0.59 -0.00 -0.07 -0.73 0.00 0.00 179.01 178.83 3kb8 h LEU 23 N 0.31 0.88 -1.23 1.64 3.38 -0.83 -2.56 115.31 116.90 3kb8 h LEU 23 Ca 0.09 -0.31 0.10 0.00 0.09 0.00 0.00 57.88 57.86 3kb8 h LEU 23 Cb 0.34 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.78 3kb8 h LEU 23 CO 0.01 0.98 0.57 1.23 0.09 0.00 0.00 178.44 181.31 3kb8 h GLY 24 N 0.76 1.25 0.91 0.83 0.00 -1.12 0.39 103.07 106.09 3kb8 h GLY 24 Ca 0.14 -0.35 -0.13 0.00 0.00 0.00 0.00 47.33 47.00 3kb8 h GLY 24 CO 0.03 0.18 -0.39 0.00 0.00 0.00 0.00 176.54 176.36 3kb8 h ALA 25 N 1.57 0.29 -0.33 3.60 0.00 -1.22 0.01 119.26 123.18 3kb8 h ALA 25 Ca 0.41 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3kb8 h ALA 25 Cb 0.46 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 3kb8 h ALA 25 CO -0.18 0.39 0.19 0.82 0.00 0.00 0.00 179.25 180.47 3kb8 h ILE 26 N 0.25 1.12 -0.45 0.00 2.04 -1.04 -1.76 117.51 117.67 3kb8 h ILE 26 Ca 0.00 -0.29 -0.10 0.00 1.00 0.00 0.00 64.86 65.48 3kb8 h ILE 26 Cb 0.99 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 3kb8 h ILE 26 CO 0.09 0.12 -0.11 0.40 0.00 0.00 0.00 178.15 178.64 3kb8 h ILE 27 N 0.42 1.27 -0.94 -0.67 2.04 -0.90 -0.51 117.51 118.22 3kb8 h ILE 27 Ca 0.12 -1.23 0.04 0.00 1.00 0.00 0.00 64.86 64.79 3kb8 h ILE 27 Cb 0.02 1.14 -0.06 0.00 -0.74 0.00 0.00 36.82 37.18 3kb8 h ILE 27 CO -0.02 0.42 0.61 0.00 0.00 0.00 0.00 178.15 179.16 3kb8 h ALA 28 N 0.87 1.25 -0.12 1.87 0.00 -0.79 -2.03 119.26 120.31 3kb8 h ALA 28 Ca 0.11 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3kb8 h ALA 28 Cb 0.66 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 3kb8 h ALA 28 CO 0.05 0.45 -0.10 1.49 0.00 0.00 0.00 179.25 181.14 3kb8 h GLU 29 N 1.16 0.27 -0.06 0.00 4.81 -1.01 -2.62 114.58 117.13 3kb8 h GLU 29 Ca 0.38 -0.14 -0.02 0.00 -0.13 0.00 0.00 59.36 59.45 3kb8 h GLU 29 Cb 0.04 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 3kb8 h GLU 29 CO -0.13 0.67 -0.05 -0.44 -0.73 0.00 0.00 179.01 178.32 3kb8 h ASP 30 N -0.11 0.08 -0.41 1.04 3.32 -0.73 -3.03 116.42 116.57 3kb8 h ASP 30 Ca 0.02 -0.01 -0.15 0.00 0.02 0.00 0.00 57.03 56.92 3kb8 h ASP 30 Cb 0.61 -0.02 -0.09 0.00 0.22 0.00 0.00 39.33 40.05 3kb8 h ASP 30 CO 0.03 0.15 0.05 -1.22 -1.72 0.00 0.00 179.24 176.52 3kb8 n TYR 31 N -4.43 1.35 -0.11 4.55 4.01 -0.80 -4.73 117.16 117.00 3kb8 n TYR 31 Ca -0.02 -1.31 0.03 0.00 -0.16 0.00 0.00 57.90 56.44 3kb8 n TYR 31 Cb 0.16 -0.49 0.35 0.00 -0.31 0.00 0.00 39.34 39.06 3kb8 n TYR 31 CO 0.00 0.00 0.00 1.57 -0.46 0.00 0.00 176.86 177.97 3kb8 h LYS 32 N 1.47 0.73 0.05 -0.72 2.10 -1.34 -3.26 116.57 115.59 3kb8 h LYS 32 Ca 0.18 -0.04 -0.23 0.00 -2.00 0.00 0.00 60.65 58.56 3kb8 h LYS 32 Cb 1.76 -0.16 -0.01 0.00 -0.90 0.00 0.00 32.23 32.91 3kb8 h LYS 32 CO 0.43 0.48 -1.04 -0.91 -2.00 0.00 0.00 179.45 176.41 3kb8 h ASN 33 N 0.75 0.24 -4.29 7.07 2.35 -1.87 -3.47 115.58 116.37 3kb8 h ASN 33 Ca 0.23 -0.23 -0.20 0.00 -0.55 0.00 0.00 56.30 55.54 3kb8 h ASN 33 Cb -0.01 -0.08 -0.25 0.00 0.05 0.00 0.00 38.32 38.03 3kb8 h ASN 33 CO -0.06 1.12 -0.70 0.42 -1.65 0.00 0.00 177.43 176.57 3kb8 s THR 34 N -2.87 0.05 -0.36 2.81 -4.23 -1.23 -5.11 115.64 104.70 3kb8 s THR 34 Ca -0.02 -0.40 -0.29 0.00 -1.18 0.00 0.00 61.69 59.80 3kb8 s THR 34 Cb 0.09 -0.13 0.00 0.00 1.34 0.00 0.00 72.50 73.81 3kb8 s THR 34 CO 0.84 -0.22 1.39 0.54 -0.54 0.00 0.00 174.62 176.63 3kb8 s VAL 35 N -0.65 3.97 0.78 2.29 0.11 -1.26 -4.89 120.40 120.76 3kb8 s VAL 35 Ca -0.07 1.04 -0.09 0.00 -2.93 0.00 0.00 61.98 59.92 3kb8 s VAL 35 Cb -0.04 -4.16 0.10 0.00 -1.53 0.00 0.00 36.38 30.74 3kb8 s VAL 35 CO -0.00 -0.63 1.11 -2.16 -3.33 0.00 0.00 175.10 170.09 3kb8 s PRO 36 N 4.66 1.82 -0.36 1.54 0.04 -1.26 -4.76 135.00 136.68 3kb8 s PRO 36 Ca 0.60 -0.25 -0.12 0.00 0.04 0.00 0.00 61.00 61.27 3kb8 s PRO 36 Cb -0.15 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.32 3kb8 s PRO 36 CO 0.29 -1.56 0.23 -1.17 0.04 0.00 0.00 177.00 174.83 3kb8 s LEU 37 N -5.44 4.63 -0.27 -3.56 2.96 0.02 -1.81 118.68 115.21 3kb8 s LEU 37 Ca 0.64 -0.67 -0.15 0.00 -0.22 0.00 0.00 54.13 53.73 3kb8 s LEU 37 Cb -0.09 -2.10 -0.04 0.00 0.50 0.00 0.00 46.19 44.47 3kb8 s LEU 37 CO 0.47 -0.31 0.36 0.00 -1.32 0.00 0.00 176.35 175.55 3kb8 s ALA 38 N 1.66 3.56 -0.10 5.97 0.00 0.69 -1.04 121.76 132.50 3kb8 s ALA 38 Ca 0.05 -0.85 0.03 0.00 0.00 0.00 0.00 51.96 51.19 3kb8 s ALA 38 Cb -0.18 -2.70 -0.01 0.00 0.00 0.00 0.00 23.12 20.23 3kb8 s ALA 38 CO 0.09 -0.67 -0.19 0.42 0.00 0.00 0.00 175.76 175.40 3kb8 s ILE 39 N 2.05 2.49 -0.10 0.00 1.01 0.10 -0.72 121.20 126.03 3kb8 s ILE 39 Ca 0.14 -0.88 -0.00 0.00 0.00 0.00 0.00 60.65 59.92 3kb8 s ILE 39 Cb -0.16 -1.98 -0.03 0.00 0.01 0.00 0.00 42.46 40.30 3kb8 s ILE 39 CO 0.10 0.55 -0.08 -0.83 0.00 0.00 0.00 174.94 174.68 3kb8 s GLY 40 N 0.17 1.65 -0.35 6.18 0.00 -0.58 -1.08 107.32 113.31 3kb8 s GLY 40 Ca -0.11 -0.88 -0.17 0.00 0.00 0.00 0.00 44.72 43.56 3kb8 s GLY 40 CO 0.06 -0.46 0.45 0.54 0.00 0.00 0.00 173.10 173.70 3kb8 s VAL 41 N -0.33 5.08 0.61 1.40 0.11 -1.26 -1.26 120.40 124.75 3kb8 s VAL 41 Ca 0.04 0.23 -0.18 0.00 -2.93 0.00 0.00 61.98 59.14 3kb8 s VAL 41 Cb -0.13 -3.91 -0.03 0.00 -1.53 0.00 0.00 36.38 30.79 3kb8 s VAL 41 CO 0.02 -0.16 1.17 -0.76 -3.33 0.00 0.00 175.10 172.04 3kb8 s LEU 42 N 2.24 3.60 -0.19 2.54 1.43 -0.29 -3.54 118.68 124.48 3kb8 s LEU 42 Ca 0.16 2.25 0.16 0.00 -1.03 0.00 0.00 54.13 55.68 3kb8 s LEU 42 Cb -0.16 -4.58 -0.23 0.00 0.03 0.00 0.00 46.19 41.24 3kb8 s LEU 42 CO 0.13 -1.56 0.06 0.29 0.23 0.00 0.00 176.35 175.49 3kb8 n LYS 43 N -1.78 0.87 0.25 1.70 5.02 -1.26 -4.73 118.16 118.23 3kb8 n LYS 43 Ca 0.12 -0.00 0.17 0.00 -2.02 0.00 0.00 58.31 56.58 3kb8 n LYS 43 Cb 0.50 -1.49 0.89 0.00 -0.02 0.00 0.00 35.03 34.91 3kb8 n LYS 43 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 3kb8 h GLY 44 N 3.71 0.00 1.86 0.72 0.00 -1.73 -2.36 103.07 105.26 3kb8 h GLY 44 Ca -0.52 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.81 3kb8 h GLY 44 CO 0.02 0.00 -0.08 0.00 0.00 0.00 0.00 176.54 176.49 3kb8 n ALA 45 N -2.27 2.48 0.08 3.60 0.00 -1.23 -4.37 120.51 118.80 3kb8 n ALA 45 Ca -0.00 -0.12 -0.16 0.00 0.00 0.00 0.00 53.44 53.16 3kb8 n ALA 45 Cb 0.25 -1.42 -0.10 0.00 0.00 0.00 0.00 19.45 18.18 3kb8 n ALA 45 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 3kb8 h MET 46 N 0.00 -0.68 -0.60 0.00 -1.53 -1.69 -1.45 114.93 108.98 3kb8 h MET 46 Ca 0.00 0.05 0.04 0.00 -3.44 0.00 0.00 59.70 56.35 3kb8 h MET 46 Cb 0.54 0.16 -0.05 0.00 -0.55 0.00 0.00 31.60 31.70 3kb8 h MET 46 CO 0.00 -0.46 0.33 -1.35 0.14 0.00 0.00 176.91 175.58 3kb8 h PRO 47 N -0.71 0.62 -0.54 0.39 0.11 -1.84 -1.34 132.00 128.70 3kb8 h PRO 47 Ca 0.01 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.04 3kb8 h PRO 47 Cb 0.74 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.69 3kb8 h PRO 47 CO -0.33 0.41 0.18 0.35 -0.21 0.00 0.00 178.00 178.40 3kb8 h PHE 48 N 0.64 0.87 -0.60 0.65 3.57 -1.78 -2.48 116.94 117.80 3kb8 h PHE 48 Ca 0.26 -0.08 -0.00 0.00 3.53 0.00 0.00 57.97 61.67 3kb8 h PHE 48 Cb 0.12 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 38.58 3kb8 h PHE 48 CO -0.08 0.73 0.36 1.98 -2.23 0.00 0.00 178.31 179.07 3kb8 h MET 49 N 0.75 0.82 -0.29 1.11 4.05 -0.80 0.12 114.93 120.69 3kb8 h MET 49 Ca 0.18 -0.08 -0.01 0.00 -0.28 0.00 0.00 59.70 59.51 3kb8 h MET 49 Cb 0.26 -0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 30.88 3kb8 h MET 49 CO -0.01 0.59 0.14 0.00 0.23 0.00 0.00 176.91 177.87 3kb8 h ALA 50 N 1.18 0.37 0.01 0.39 0.00 -1.17 -1.20 119.26 118.84 3kb8 h ALA 50 Ca 0.21 -0.09 -0.19 0.00 0.00 0.00 0.00 54.91 54.84 3kb8 h ALA 50 Cb -0.01 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 3kb8 h ALA 50 CO -0.04 -0.08 -0.89 -0.44 0.00 0.00 0.00 179.25 177.80 3kb8 h ASP 51 N 0.34 0.11 -0.28 0.00 3.32 -1.27 -2.52 116.42 116.12 3kb8 h ASP 51 Ca 0.10 -0.09 -0.09 0.00 0.02 0.00 0.00 57.03 56.96 3kb8 h ASP 51 Cb 0.10 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 3kb8 h ASP 51 CO -0.01 0.94 -0.19 0.25 -1.72 0.00 0.00 179.24 178.51 3kb8 h LEU 52 N 0.04 0.65 -0.55 1.55 5.85 -0.73 -2.97 115.31 119.15 3kb8 h LEU 52 Ca -0.03 -0.44 -0.16 0.00 0.84 0.00 0.00 57.88 58.09 3kb8 h LEU 52 Cb 1.55 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 42.39 3kb8 h LEU 52 CO 0.13 0.95 -0.68 -0.07 -0.34 0.00 0.00 178.44 178.42 3kb8 h LEU 53 N 0.35 0.25 -2.16 2.25 3.38 -1.25 -2.16 115.31 115.97 3kb8 h LEU 53 Ca 0.05 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 3kb8 h LEU 53 Cb 0.73 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 3kb8 h LEU 53 CO 0.05 0.86 -0.03 0.50 0.09 0.00 0.00 178.44 179.91 3kb8 h LYS 54 N 0.15 0.00 -0.60 1.13 3.64 -1.45 -0.42 116.57 119.02 3kb8 h LYS 54 Ca -0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3kb8 h LYS 54 Cb 1.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 3kb8 h LYS 54 CO 0.10 0.03 0.00 0.54 -2.27 0.00 0.00 179.45 177.86 3kb8 n ARG 55 N -4.13 3.56 -3.75 1.90 5.12 -0.85 -4.76 116.66 113.75 3kb8 n ARG 55 Ca -0.03 -2.81 -0.36 0.00 -1.93 0.00 0.00 57.85 52.73 3kb8 n ARG 55 Cb 0.12 -1.82 -0.11 0.00 -1.16 0.00 0.00 32.46 29.49 3kb8 n ARG 55 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 3kb8 s THR 56 N -1.81 3.49 -1.32 0.55 2.01 -0.17 -3.79 115.64 114.60 3kb8 s THR 56 Ca 0.48 -2.65 -0.16 0.00 0.31 0.00 0.00 61.69 59.67 3kb8 s THR 56 Cb 0.31 -3.33 0.01 0.00 0.01 0.00 0.00 72.50 69.50 3kb8 s THR 56 CO 0.23 -0.80 2.11 -0.67 -0.69 0.00 0.00 174.62 174.79 3kb8 n ASP 57 N 3.87 3.79 -3.47 3.53 2.03 -1.26 -4.85 116.55 120.19 3kb8 n ASP 57 Ca 0.04 -2.82 -0.12 0.00 0.52 0.00 0.00 54.79 52.41 3kb8 n ASP 57 Cb 0.39 -1.59 -0.03 0.00 -0.72 0.00 0.00 41.12 39.17 3kb8 n ASP 57 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 3kb8 s THR 58 N 3.86 0.00 0.13 5.18 -1.32 -1.26 -4.90 115.64 117.32 3kb8 s THR 58 Ca 0.50 0.00 -0.31 0.00 -1.21 0.00 0.00 61.69 60.67 3kb8 s THR 58 Cb 0.12 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 70.02 3kb8 s THR 58 CO -0.03 0.00 1.55 -0.31 -2.21 0.00 0.00 174.62 173.62 3kb8 s TYR 59 N -3.07 2.93 0.15 9.09 2.02 -1.26 -4.99 117.35 122.23 3kb8 s TYR 59 Ca 0.00 0.62 -0.17 0.00 -0.37 0.00 0.00 57.07 57.15 3kb8 s TYR 59 Cb -0.01 -3.88 0.04 0.00 -0.40 0.00 0.00 41.96 37.71 3kb8 s TYR 59 CO -0.08 -3.30 0.46 -0.48 -1.57 0.00 0.00 175.55 170.58 3kb8 s LEU 60 N 1.56 0.17 -0.03 -1.29 0.05 -1.26 -4.06 118.68 113.83 3kb8 s LEU 60 Ca 0.70 -0.34 0.05 0.00 0.05 0.00 0.00 54.13 54.60 3kb8 s LEU 60 Cb -0.41 2.03 -0.03 0.00 -2.05 0.00 0.00 46.19 45.73 3kb8 s LEU 60 CO 0.31 -0.93 -0.18 -0.70 -0.55 0.00 0.00 176.35 174.30 3kb8 s GLU 61 N -3.82 2.32 0.05 1.48 2.12 -0.75 -4.98 118.70 115.12 3kb8 s GLU 61 Ca 0.05 -0.81 0.03 0.00 0.36 0.00 0.00 54.97 54.60 3kb8 s GLU 61 Cb 0.01 -2.26 -0.04 0.00 0.26 0.00 0.00 34.13 32.10 3kb8 s GLU 61 CO -0.09 0.59 -0.00 -1.64 -0.54 0.00 0.00 175.26 173.58 3kb8 s MET 62 N -0.83 2.66 0.25 4.30 -1.94 -1.26 -0.22 119.30 122.25 3kb8 s MET 62 Ca 0.12 -0.73 -0.12 0.00 -1.71 0.00 0.00 55.69 53.24 3kb8 s MET 62 Cb -0.10 -2.60 -0.01 0.00 2.01 0.00 0.00 34.83 34.13 3kb8 s MET 62 CO 0.01 0.58 0.47 0.34 -0.01 0.00 0.00 175.02 176.41 3kb8 s ASP 63 N -1.96 -0.06 0.00 3.03 -1.08 0.10 -4.90 116.67 111.80 3kb8 s ASP 63 Ca 0.23 -0.96 -0.08 0.00 -0.52 0.00 0.00 52.55 51.23 3kb8 s ASP 63 Cb -0.12 0.58 0.00 0.00 -1.46 0.00 0.00 42.92 41.93 3kb8 s ASP 63 CO 0.15 -1.14 0.15 -0.36 0.52 0.00 0.00 175.17 174.48 3kb8 s PHE 64 N -3.99 0.03 0.16 -5.34 0.08 -1.26 -1.53 117.98 106.12 3kb8 s PHE 64 Ca 0.23 -0.10 0.09 0.00 0.12 0.00 0.00 56.93 57.27 3kb8 s PHE 64 Cb -0.00 -0.04 -0.04 0.00 -0.57 0.00 0.00 43.02 42.37 3kb8 s PHE 64 CO 0.09 -0.29 -0.20 -1.64 -0.10 0.00 0.00 175.22 173.08 3kb8 s MET 65 N -1.35 1.32 -0.02 0.44 -1.94 -0.39 -4.41 119.30 112.95 3kb8 s MET 65 Ca -0.14 -1.41 0.04 0.00 -1.71 0.00 0.00 55.69 52.47 3kb8 s MET 65 Cb -0.07 -1.48 -0.01 0.00 2.01 0.00 0.00 34.83 35.28 3kb8 s MET 65 CO 0.02 0.31 -0.15 0.00 -0.01 0.00 0.00 175.02 175.19 3kb8 s ALA 66 N -1.82 1.28 0.04 3.03 0.00 -0.99 -1.14 121.76 122.16 3kb8 s ALA 66 Ca 0.16 -0.61 -0.00 0.00 0.00 0.00 0.00 51.96 51.50 3kb8 s ALA 66 Cb -0.07 -0.38 -0.03 0.00 0.00 0.00 0.00 23.12 22.64 3kb8 s ALA 66 CO 0.07 0.27 -0.03 0.14 0.00 0.00 0.00 175.76 176.21 3kb8 s VAL 67 N -0.15 0.22 0.09 0.00 -7.23 -1.26 -0.39 120.40 111.68 3kb8 s VAL 67 Ca 0.02 -1.49 0.03 0.00 -1.81 0.00 0.00 61.98 58.73 3kb8 s VAL 67 Cb -0.08 -1.07 -0.04 0.00 0.56 0.00 0.00 36.38 35.75 3kb8 s VAL 67 CO 0.00 -0.80 -0.09 -0.94 -0.31 0.00 0.00 175.10 172.97 3kb8 s SER 68 N -2.39 1.26 0.37 4.85 1.04 0.04 -4.86 113.70 114.01 3kb8 s SER 68 Ca -0.01 -0.83 -0.26 0.00 0.48 0.00 0.00 55.95 55.33 3kb8 s SER 68 Cb 0.01 0.04 -0.09 0.00 0.10 0.00 0.00 66.02 66.08 3kb8 s SER 68 CO -0.06 -0.32 1.13 -0.55 0.98 0.00 0.00 173.24 174.42 3kb8 s SER 69 N -2.50 6.75 0.00 7.02 0.15 -1.26 -1.02 113.70 122.84 3kb8 s SER 69 Ca 0.05 2.26 0.24 0.00 0.70 0.00 0.00 55.95 59.20 3kb8 s SER 69 Cb -0.01 -2.61 0.31 0.00 -1.71 0.00 0.00 66.02 61.99 3kb8 s SER 69 CO -0.01 -0.51 1.33 -1.22 1.20 0.00 0.00 173.24 174.03 3kb8 n TYR 70 N 0.30 0.11 0.00 3.44 4.01 -1.26 -4.82 117.16 118.94 3kb8 n TYR 70 Ca 0.03 -0.06 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 3kb8 n TYR 70 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.50 3kb8 n TYR 70 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kb8 n GLY 71 N 1.37 1.03 0.18 2.72 0.00 -1.26 -4.56 105.19 104.67 3kb8 n GLY 71 Ca 0.16 -1.13 -0.06 0.00 0.00 0.00 0.00 46.02 44.98 3kb8 n GLY 71 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3kb8 h HIS 72 N 0.00 0.43 -0.29 1.61 -0.00 -1.98 -1.58 115.15 113.34 3kb8 h HIS 72 Ca 0.00 0.02 0.07 0.00 -0.00 0.00 0.00 60.37 60.45 3kb8 h HIS 72 Cb 0.00 -0.13 -0.01 0.00 -0.00 0.00 0.00 27.41 27.27 3kb8 h HIS 72 CO 0.00 0.23 0.21 0.77 -0.00 0.00 0.00 177.93 179.14 3kb8 h SER 73 N 0.46 0.08 -0.17 3.26 0.02 -1.89 -0.01 113.55 115.30 3kb8 h SER 73 Ca 0.18 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.07 3kb8 h SER 73 Cb 0.06 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 62.58 3kb8 h SER 73 CO -0.11 0.05 -0.14 0.74 -1.14 0.00 0.00 176.83 176.23 3kb8 h THR 74 N 0.09 1.33 0.00 -2.27 2.02 -1.29 0.11 112.91 112.91 3kb8 h THR 74 Ca 0.13 -1.27 -0.03 0.00 0.77 0.00 0.00 66.41 66.01 3kb8 h THR 74 Cb 0.42 1.80 -0.00 0.00 -1.74 0.00 0.00 68.15 68.62 3kb8 h THR 74 CO -0.01 0.38 -0.14 0.58 0.37 0.00 0.00 175.52 176.69 3kb8 h VAL 75 N 0.04 0.91 0.00 3.16 2.07 -0.67 -1.20 116.25 120.56 3kb8 h VAL 75 Ca 0.03 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 67.02 3kb8 h VAL 75 Cb 0.66 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 31.73 3kb8 h VAL 75 CO 0.04 0.14 -0.88 -1.54 0.02 0.00 0.00 177.57 175.35 3kb8 n SER 76 N -4.09 2.16 0.00 0.57 3.41 -0.14 -4.76 113.62 110.76 3kb8 n SER 76 Ca -0.02 -0.27 0.00 0.00 -0.26 0.00 0.00 58.87 58.31 3kb8 n SER 76 Cb 0.22 1.17 0.00 0.00 -0.26 0.00 0.00 64.21 65.35 3kb8 n SER 76 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3kb8 n THR 77 N -1.48 0.00 -0.35 6.66 -2.24 0.36 -5.02 114.28 112.22 3kb8 n THR 77 Ca -0.00 -0.23 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 3kb8 n THR 77 Cb 0.14 0.99 0.00 0.00 -2.10 0.00 0.00 70.33 69.36 3kb8 n THR 77 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kb8 n GLY 78 N 0.47 1.70 3.71 3.38 0.00 -0.45 -4.67 105.19 109.32 3kb8 n GLY 78 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3kb8 n GLY 78 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3kb8 n GLU 79 N -2.00 2.74 -4.14 1.61 2.13 -1.22 -4.20 120.64 115.56 3kb8 n GLU 79 Ca 0.00 0.99 -0.11 0.00 0.66 0.00 0.00 57.16 58.70 3kb8 n GLU 79 Cb 0.00 -2.84 -0.10 0.00 0.27 0.00 0.00 31.44 28.76 3kb8 n GLU 79 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 3kb8 s VAL 80 N 1.56 0.65 -0.11 6.31 -7.23 -1.26 -3.26 120.40 117.07 3kb8 s VAL 80 Ca 0.77 -1.70 -0.29 0.00 -1.81 0.00 0.00 61.98 58.96 3kb8 s VAL 80 Cb -0.51 -1.39 -0.01 0.00 0.56 0.00 0.00 36.38 35.03 3kb8 s VAL 80 CO 0.34 -0.74 0.96 -0.75 -0.31 0.00 0.00 175.10 174.60 3kb8 s LYS 81 N -3.21 4.41 -0.27 4.82 2.20 -0.19 -4.90 119.74 122.60 3kb8 s LYS 81 Ca 0.06 1.30 -0.27 0.00 -0.36 0.00 0.00 55.97 56.70 3kb8 s LYS 81 Cb 0.01 -3.54 0.01 0.00 -1.51 0.00 0.00 37.83 32.80 3kb8 s LYS 81 CO -0.03 -0.28 0.95 0.42 -0.36 0.00 0.00 175.35 176.05 3kb8 s ILE 82 N 1.89 4.70 -0.13 5.43 1.01 -1.26 -0.78 121.20 132.06 3kb8 s ILE 82 Ca 0.46 1.67 0.16 0.00 0.00 0.00 0.00 60.65 62.95 3kb8 s ILE 82 Cb -0.18 -4.26 -0.24 0.00 0.01 0.00 0.00 42.46 37.79 3kb8 s ILE 82 CO 0.18 -0.24 0.34 0.18 0.00 0.00 0.00 174.94 175.40 3kb8 n LEU 83 N 6.36 0.36 -3.60 2.97 4.77 0.48 -4.85 117.00 123.49 3kb8 n LEU 83 Ca 0.09 0.17 -0.18 0.00 -0.03 0.00 0.00 56.01 56.06 3kb8 n LEU 83 Cb 0.47 0.34 -0.14 0.00 -2.33 0.00 0.00 43.42 41.76 3kb8 n LEU 83 CO 0.52 0.42 -0.22 -0.75 -1.33 0.00 0.00 177.39 176.04 3kb8 s LYS 84 N -2.59 0.11 0.68 3.23 2.47 -0.85 -4.91 119.74 117.87 3kb8 s LYS 84 Ca -0.08 0.40 -0.03 0.00 -1.56 0.00 0.00 55.97 54.71 3kb8 s LYS 84 Cb 0.07 -0.72 0.08 0.00 -1.46 0.00 0.00 37.83 35.80 3kb8 s LYS 84 CO 0.83 -0.47 0.95 0.34 0.16 0.00 0.00 175.35 177.17 3kb8 s ASP 85 N 2.31 4.70 0.54 1.43 -1.08 -1.26 -2.35 116.67 120.96 3kb8 s ASP 85 Ca 0.04 0.03 -0.21 0.00 -0.52 0.00 0.00 52.55 51.90 3kb8 s ASP 85 Cb -0.14 -0.63 -0.05 0.00 -1.46 0.00 0.00 42.92 40.64 3kb8 s ASP 85 CO -0.09 -1.61 1.24 -0.76 0.52 0.00 0.00 175.17 174.47 3kb8 s LEU 86 N -5.10 3.83 0.06 -1.34 1.43 -1.26 -4.84 118.68 111.45 3kb8 s LEU 86 Ca 0.62 2.49 0.23 0.00 -1.03 0.00 0.00 54.13 56.44 3kb8 s LEU 86 Cb -0.08 -4.39 0.95 0.00 0.03 0.00 0.00 46.19 42.70 3kb8 s LEU 86 CO 0.43 -1.39 1.74 0.47 0.23 0.00 0.00 176.35 177.83 3kb8 n ASP 87 N -1.08 0.19 -4.14 2.29 8.00 -1.26 -4.81 116.55 115.75 3kb8 n ASP 87 Ca 0.11 0.53 -0.09 0.00 0.71 0.00 0.00 54.79 56.05 3kb8 n ASP 87 Cb 0.48 -0.58 -0.10 0.00 -0.02 0.00 0.00 41.12 40.90 3kb8 n ASP 87 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 3kb8 s THR 88 N -3.05 0.13 0.60 -3.53 -1.32 -1.26 -5.15 115.64 102.06 3kb8 s THR 88 Ca 0.10 -1.89 -0.17 0.00 -1.21 0.00 0.00 61.69 58.52 3kb8 s THR 88 Cb 0.14 -1.93 -0.03 0.00 -1.51 0.00 0.00 72.50 69.17 3kb8 s THR 88 CO 0.44 -0.58 1.10 -0.94 -2.21 0.00 0.00 174.62 172.43 3kb8 s SER 89 N -3.02 5.49 -0.05 8.08 1.04 -1.26 -4.99 113.70 118.99 3kb8 s SER 89 Ca 0.20 2.03 0.15 0.00 0.48 0.00 0.00 55.95 58.81 3kb8 s SER 89 Cb 0.08 -2.56 -0.22 0.00 0.10 0.00 0.00 66.02 63.42 3kb8 s SER 89 CO -0.01 -1.37 0.58 0.52 0.98 0.00 0.00 173.24 173.94 3kb8 n VAL 90 N -1.90 1.46 -1.70 5.02 0.31 -1.26 -4.83 118.33 115.43 3kb8 n VAL 90 Ca 0.10 -0.78 -0.58 0.00 -0.01 0.00 0.00 64.34 63.08 3kb8 n VAL 90 Cb 0.52 -0.86 -0.07 0.00 -0.91 0.00 0.00 33.84 32.52 3kb8 n VAL 90 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3kb8 n GLU 91 N -2.95 1.05 -0.71 5.55 2.13 -1.12 -0.88 120.64 123.71 3kb8 n GLU 91 Ca -0.18 0.38 0.00 0.00 0.66 0.00 0.00 57.16 58.02 3kb8 n GLU 91 Cb 1.02 -2.04 0.00 0.00 0.27 0.00 0.00 31.44 30.69 3kb8 n GLU 91 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3kb8 n GLY 92 N 3.92 1.29 3.89 8.31 0.00 0.17 -4.90 105.19 117.87 3kb8 n GLY 92 Ca 0.26 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.97 3kb8 n GLY 92 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kb8 s ARG 93 N -0.10 3.73 -0.28 1.61 1.81 -0.06 -4.26 118.95 121.41 3kb8 s ARG 93 Ca 0.00 0.20 -0.22 0.00 -1.72 0.00 0.00 55.73 53.99 3kb8 s ARG 93 Cb 0.00 -2.61 -0.01 0.00 -0.45 0.00 0.00 34.95 31.89 3kb8 s ARG 93 CO 0.00 0.22 0.72 -0.51 -0.68 0.00 0.00 175.30 175.05 3kb8 s ASP 94 N -2.80 6.64 -0.16 0.23 1.01 -1.26 0.04 116.67 120.37 3kb8 s ASP 94 Ca 0.47 0.72 -0.08 0.00 0.71 0.00 0.00 52.55 54.36 3kb8 s ASP 94 Cb -0.11 -2.38 -0.04 0.00 1.01 0.00 0.00 42.92 41.40 3kb8 s ASP 94 CO 0.26 -0.49 0.12 -0.63 0.21 0.00 0.00 175.17 174.64 3kb8 s ILE 95 N 2.72 5.29 -0.25 0.77 -1.09 -0.06 -0.80 121.20 127.78 3kb8 s ILE 95 Ca 0.30 0.14 0.02 0.00 -2.23 0.00 0.00 60.65 58.87 3kb8 s ILE 95 Cb -0.15 -3.36 0.06 0.00 -1.58 0.00 0.00 42.46 37.44 3kb8 s ILE 95 CO 0.10 0.52 -0.06 -0.22 -1.23 0.00 0.00 174.94 174.05 3kb8 s LEU 96 N -0.24 2.98 -0.12 2.97 2.96 -0.20 -1.08 118.68 125.94 3kb8 s LEU 96 Ca 0.10 -1.33 -0.22 0.00 -0.22 0.00 0.00 54.13 52.47 3kb8 s LEU 96 Cb -0.12 -1.31 -0.03 0.00 0.50 0.00 0.00 46.19 45.23 3kb8 s LEU 96 CO 0.01 -0.24 0.63 -0.63 -1.32 0.00 0.00 176.35 174.80 3kb8 s ILE 97 N 1.28 5.07 -0.23 6.68 1.01 0.37 -0.72 121.20 134.65 3kb8 s ILE 97 Ca -0.05 1.26 -0.07 0.00 0.00 0.00 0.00 60.65 61.80 3kb8 s ILE 97 Cb -0.19 -3.96 -0.03 0.00 0.01 0.00 0.00 42.46 38.29 3kb8 s ILE 97 CO -0.07 0.22 0.05 -0.69 0.00 0.00 0.00 174.94 174.45 3kb8 s VAL 98 N 1.11 4.22 0.16 2.92 1.01 -0.24 -0.90 120.40 128.67 3kb8 s VAL 98 Ca 0.32 -0.21 0.08 0.00 0.00 0.00 0.00 61.98 62.17 3kb8 s VAL 98 Cb -0.17 -2.95 -0.04 0.00 0.00 0.00 0.00 36.38 33.23 3kb8 s VAL 98 CO 0.14 0.38 -0.18 -0.70 0.00 0.00 0.00 175.10 174.74 3kb8 s GLU 99 N 1.32 1.24 -0.15 2.72 2.56 -0.17 -4.09 118.70 122.14 3kb8 s GLU 99 Ca 0.05 -1.38 -0.20 0.00 0.00 0.00 0.00 54.97 53.44 3kb8 s GLU 99 Cb -0.15 -1.29 -0.17 0.00 2.00 0.00 0.00 34.13 34.53 3kb8 s GLU 99 CO 0.03 0.26 0.39 0.38 -0.56 0.00 0.00 175.26 175.76 3kb8 h ASP 100 N 3.32 0.00 -3.93 -1.70 2.03 -1.88 -2.13 116.42 112.13 3kb8 h ASP 100 Ca -0.42 -0.59 -0.19 0.00 -0.73 0.00 0.00 57.03 55.10 3kb8 h ASP 100 Cb 1.20 0.00 -0.26 0.00 -0.83 0.00 0.00 39.33 39.44 3kb8 h ASP 100 CO 0.50 1.01 -0.59 -0.51 -1.03 0.00 0.00 179.24 178.62 3kb8 s ILE 101 N -2.13 0.01 -0.20 4.15 2.07 -1.26 -1.16 121.20 122.68 3kb8 s ILE 101 Ca -0.17 -0.10 -0.03 0.00 -1.41 0.00 0.00 60.65 58.93 3kb8 s ILE 101 Cb 0.00 -0.19 -0.01 0.00 0.13 0.00 0.00 42.46 42.40 3kb8 s ILE 101 CO 0.49 -0.06 -0.07 -0.63 -1.91 0.00 0.00 174.94 172.76 3kb8 s ILE 102 N -0.14 3.18 0.00 2.00 1.01 -1.06 -5.00 121.20 121.19 3kb8 s ILE 102 Ca -0.02 -0.57 0.00 0.00 0.00 0.00 0.00 60.65 60.06 3kb8 s ILE 102 Cb -0.02 -2.42 0.00 0.00 0.01 0.00 0.00 42.46 40.03 3kb8 s ILE 102 CO 0.00 0.45 0.00 -0.67 0.00 0.00 0.00 174.94 174.72 3kb8 n ASP 103 N 4.59 0.00 0.01 3.58 -0.08 -1.26 -1.48 116.55 121.91 3kb8 n ASP 103 Ca -0.19 0.00 -0.10 0.00 -1.51 0.00 0.00 54.79 53.00 3kb8 n ASP 103 Cb 0.51 0.00 0.04 0.00 2.34 0.00 0.00 41.12 44.01 3kb8 n ASP 103 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 3kb8 h SER 104 N 0.00 0.60 0.00 1.67 4.64 -1.86 -2.06 113.55 116.54 3kb8 h SER 104 Ca 0.00 -0.34 0.00 0.00 -0.47 0.00 0.00 61.79 60.98 3kb8 h SER 104 Cb 0.00 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 61.92 3kb8 h SER 104 CO 0.00 1.06 0.00 0.61 -0.87 0.00 0.00 176.83 177.63 3kb8 n GLY 105 N 0.34 0.72 0.46 -0.77 0.00 -1.26 -0.94 105.19 103.74 3kb8 n GLY 105 Ca -0.04 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.79 3kb8 n GLY 105 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3kb8 h LEU 106 N 0.00 -0.98 -0.92 0.99 3.38 -1.93 -0.62 115.31 115.24 3kb8 h LEU 106 Ca 0.00 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 3kb8 h LEU 106 Cb 0.01 0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 3kb8 h LEU 106 CO 0.00 -0.69 0.07 0.74 0.09 0.00 0.00 178.44 178.65 3kb8 h THR 107 N -1.18 1.24 -0.44 0.22 2.02 -1.86 -1.67 112.91 111.24 3kb8 h THR 107 Ca -0.12 -0.94 -0.11 0.00 0.77 0.00 0.00 66.41 66.00 3kb8 h THR 107 Cb 0.89 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 68.04 3kb8 h THR 107 CO 0.19 0.34 -0.18 0.25 0.37 0.00 0.00 175.52 176.50 3kb8 h LEU 108 N 0.82 0.86 -0.74 2.58 5.85 -1.87 0.08 115.31 122.89 3kb8 h LEU 108 Ca 0.17 -0.30 -0.05 0.00 0.84 0.00 0.00 57.88 58.53 3kb8 h LEU 108 Cb 0.39 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 3kb8 h LEU 108 CO 0.01 1.03 0.25 -1.28 -0.34 0.00 0.00 178.44 178.11 3kb8 h SER 109 N 0.75 1.07 -0.36 1.25 0.87 -0.81 0.22 113.55 116.54 3kb8 h SER 109 Ca 0.11 -0.20 -0.01 0.00 -1.23 0.00 0.00 61.79 60.46 3kb8 h SER 109 Cb 0.71 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.37 3kb8 h SER 109 CO 0.05 0.98 0.20 0.22 -0.53 0.00 0.00 176.83 177.75 3kb8 h TYR 110 N 1.09 0.50 -0.43 2.24 3.20 -0.50 -0.09 116.97 122.98 3kb8 h TYR 110 Ca 0.24 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.02 3kb8 h TYR 110 Cb 0.28 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 3kb8 h TYR 110 CO 0.02 0.39 -0.04 -0.07 -1.64 0.00 0.00 178.16 176.82 3kb8 h LEU 111 N 0.46 0.78 -0.09 2.82 3.38 -0.69 -0.54 115.31 121.42 3kb8 h LEU 111 Ca 0.13 -0.33 0.03 0.00 0.09 0.00 0.00 57.88 57.79 3kb8 h LEU 111 Cb 0.06 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 3kb8 h LEU 111 CO -0.02 0.92 -0.08 0.58 0.09 0.00 0.00 178.44 179.94 3kb8 h VAL 112 N 0.61 0.78 0.00 1.22 2.07 -0.27 -1.25 116.25 119.41 3kb8 h VAL 112 Ca 0.12 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.64 3kb8 h VAL 112 Cb 0.55 0.78 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 3kb8 h VAL 112 CO 0.03 0.00 0.00 0.44 0.02 0.00 0.00 177.57 178.06 3kb8 h ASP 113 N -0.09 0.00 -0.26 0.57 3.32 -0.95 -2.14 116.42 116.87 3kb8 h ASP 113 Ca 0.06 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.95 3kb8 h ASP 113 Cb 0.18 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.72 3kb8 h ASP 113 CO -0.15 0.00 -0.44 0.25 -1.72 0.00 0.00 179.24 177.18 3kb8 h LEU 114 N 0.00 0.89 -0.52 1.55 5.85 -0.32 0.07 115.31 122.83 3kb8 h LEU 114 Ca 0.00 -0.43 -0.16 0.00 0.84 0.00 0.00 57.88 58.13 3kb8 h LEU 114 Cb 0.57 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 3kb8 h LEU 114 CO 0.00 1.20 -0.52 -0.26 -0.34 0.00 0.00 178.44 178.52 3kb8 h PHE 115 N 0.66 0.73 -0.42 1.25 0.04 -0.80 0.76 116.94 119.16 3kb8 h PHE 115 Ca 0.04 -0.25 -0.12 0.00 2.80 0.00 0.00 57.97 60.44 3kb8 h PHE 115 Cb 1.02 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 39.02 3kb8 h PHE 115 CO 0.06 0.98 -0.20 0.87 -0.60 0.00 0.00 178.31 179.42 3kb8 h LYS 116 N 0.46 0.83 -0.41 1.51 1.57 -1.37 -1.28 116.57 117.88 3kb8 h LYS 116 Ca 0.02 -0.33 -0.05 0.00 -1.87 0.00 0.00 60.65 58.41 3kb8 h LYS 116 Cb 1.06 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.31 3kb8 h LYS 116 CO 0.10 0.96 0.03 -0.92 -0.57 0.00 0.00 179.45 179.06 3kb8 h TYR 117 N 0.73 0.67 0.00 -1.35 3.20 -0.35 -1.29 116.97 118.58 3kb8 h TYR 117 Ca 0.10 -0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.90 3kb8 h TYR 117 Cb 0.73 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.81 3kb8 h TYR 117 CO 0.04 0.62 0.00 0.54 -1.64 0.00 0.00 178.16 177.72 3kb8 n ARG 118 N -4.27 0.76 -3.00 1.82 1.74 0.20 -4.86 116.66 109.06 3kb8 n ARG 118 Ca 0.02 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.97 3kb8 n ARG 118 Cb 0.25 -1.02 0.04 0.00 -1.02 0.00 0.00 32.46 30.70 3kb8 n ARG 118 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3kb8 n LYS 119 N -0.52 -4.06 -1.88 5.56 5.02 -0.49 -2.81 118.16 118.98 3kb8 n LYS 119 Ca 0.01 0.49 -0.40 0.00 -2.02 0.00 0.00 58.31 56.40 3kb8 n LYS 119 Cb 0.00 -4.50 0.01 0.00 -0.02 0.00 0.00 35.03 30.53 3kb8 n LYS 119 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kb8 s ALA 120 N -3.10 3.26 0.31 7.82 0.00 -0.53 0.45 121.76 129.97 3kb8 s ALA 120 Ca 0.29 1.40 0.05 0.00 0.00 0.00 0.00 51.96 53.69 3kb8 s ALA 120 Cb -0.13 -3.56 0.50 0.00 0.00 0.00 0.00 23.12 19.93 3kb8 s ALA 120 CO 0.36 -1.07 1.76 -0.22 0.00 0.00 0.00 175.76 176.59 3kb8 h LYS 121 N 2.46 0.40 -2.16 0.00 3.64 -0.57 -3.43 116.57 116.91 3kb8 h LYS 121 Ca -0.50 -0.14 0.10 0.00 -1.27 0.00 0.00 60.65 58.84 3kb8 h LYS 121 Cb 1.26 -0.03 -0.17 0.00 -0.41 0.00 0.00 32.23 32.88 3kb8 h LYS 121 CO 0.62 0.61 0.49 -1.54 -2.27 0.00 0.00 179.45 177.36 3kb8 s SER 122 N -6.83 -0.38 -0.07 4.20 1.04 -1.22 -4.97 113.70 105.48 3kb8 s SER 122 Ca -0.06 0.09 -0.02 0.00 0.48 0.00 0.00 55.95 56.44 3kb8 s SER 122 Cb 0.14 0.38 0.03 0.00 0.10 0.00 0.00 66.02 66.67 3kb8 s SER 122 CO 0.77 -0.58 0.03 -0.69 0.98 0.00 0.00 173.24 173.76 3kb8 s VAL 123 N -2.74 0.18 0.21 5.02 1.01 -1.26 -0.88 120.40 121.95 3kb8 s VAL 123 Ca 0.03 0.20 0.09 0.00 0.00 0.00 0.00 61.98 62.30 3kb8 s VAL 123 Cb -0.01 -0.41 -0.05 0.00 0.00 0.00 0.00 36.38 35.91 3kb8 s VAL 123 CO -0.07 0.19 -0.18 -0.54 0.00 0.00 0.00 175.10 174.50 3kb8 s LYS 124 N 2.05 1.43 -0.02 2.72 1.02 -0.25 -5.00 119.74 121.69 3kb8 s LYS 124 Ca 0.05 -1.58 0.05 0.00 0.02 0.00 0.00 55.97 54.50 3kb8 s LYS 124 Cb -0.13 -1.43 -0.01 0.00 -0.52 0.00 0.00 37.83 35.75 3kb8 s LYS 124 CO -0.05 0.27 -0.17 0.42 -0.92 0.00 0.00 175.35 174.91 3kb8 s ILE 125 N -2.46 1.34 -0.10 2.17 1.01 -1.26 -0.48 121.20 121.42 3kb8 s ILE 125 Ca 0.22 -0.71 0.02 0.00 0.00 0.00 0.00 60.65 60.18 3kb8 s ILE 125 Cb -0.04 -1.12 0.01 0.00 0.01 0.00 0.00 42.46 41.32 3kb8 s ILE 125 CO 0.09 0.38 -0.14 0.54 0.00 0.00 0.00 174.94 175.81 3kb8 s VAL 126 N -0.28 1.40 0.05 2.92 0.11 -0.08 -0.96 120.40 123.57 3kb8 s VAL 126 Ca 0.04 -0.59 0.06 0.00 -2.93 0.00 0.00 61.98 58.56 3kb8 s VAL 126 Cb -0.08 -1.29 -0.03 0.00 -1.53 0.00 0.00 36.38 33.46 3kb8 s VAL 126 CO -0.00 0.42 -0.18 0.28 -3.33 0.00 0.00 175.10 172.29 3kb8 s THR 127 N 0.95 1.41 0.03 5.04 -1.32 0.38 -1.00 115.64 121.13 3kb8 s THR 127 Ca -0.08 -1.19 -0.20 0.00 -1.21 0.00 0.00 61.69 59.01 3kb8 s THR 127 Cb -0.15 -1.27 -0.17 0.00 -1.51 0.00 0.00 72.50 69.40 3kb8 s THR 127 CO -0.01 0.05 1.24 0.25 -2.21 0.00 0.00 174.62 173.95 3kb8 h LEU 128 N 4.71 0.47 -8.71 9.08 5.85 -1.39 1.00 115.31 126.32 3kb8 h LEU 128 Ca -0.41 -0.60 -0.60 0.00 0.84 0.00 0.00 57.88 57.11 3kb8 h LEU 128 Cb 1.17 -0.14 -0.23 0.00 0.37 0.00 0.00 40.66 41.84 3kb8 h LEU 128 CO 0.43 0.98 -0.84 -0.76 -0.34 0.00 0.00 178.44 177.91 3kb8 s LEU 129 N -8.78 2.27 -0.01 2.25 1.43 -0.31 -0.12 118.68 115.41 3kb8 s LEU 129 Ca -0.14 -0.66 0.01 0.00 -1.03 0.00 0.00 54.13 52.31 3kb8 s LEU 129 Cb 0.05 -1.00 0.01 0.00 0.03 0.00 0.00 46.19 45.27 3kb8 s LEU 129 CO 0.78 0.12 -0.04 -0.62 0.23 0.00 0.00 176.35 176.82 3kb8 s ASP 130 N -1.77 0.58 -0.51 2.29 2.15 0.32 -2.57 116.67 117.16 3kb8 s ASP 130 Ca 0.09 -0.08 0.05 0.00 0.43 0.00 0.00 52.55 53.03 3kb8 s ASP 130 Cb -0.10 -0.14 0.19 0.00 -0.30 0.00 0.00 42.92 42.57 3kb8 s ASP 130 CO 0.04 0.02 0.44 1.17 -0.17 0.00 0.00 175.17 176.66 3kb8 n LYS 131 N 3.30 0.88 0.26 4.34 4.81 -0.55 0.84 118.16 132.04 3kb8 n LYS 131 Ca -0.17 -3.65 0.12 0.00 -0.87 0.00 0.00 58.31 53.73 3kb8 n LYS 131 Cb 0.56 -1.83 0.72 0.00 0.02 0.00 0.00 35.03 34.50 3kb8 n LYS 131 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 3kb8 h PRO 132 N 5.25 0.00 0.00 1.64 0.13 -1.81 -1.66 132.00 135.55 3kb8 h PRO 132 Ca 0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.34 3kb8 h PRO 132 Cb 0.84 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.97 3kb8 h PRO 132 CO 0.51 0.11 0.00 1.79 -0.23 0.00 0.00 178.00 180.18 3kb8 h THR 133 N 0.00 0.00 -0.02 1.56 1.35 -1.90 -2.40 112.91 111.50 3kb8 h THR 133 Ca -0.00 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.70 3kb8 h THR 133 Cb 0.28 1.06 0.00 0.00 -1.73 0.00 0.00 68.15 67.77 3kb8 h THR 133 CO 0.01 0.00 -0.01 0.61 -0.25 0.00 0.00 175.52 175.88 3kb8 n GLY 134 N -0.71 0.51 3.70 5.82 0.00 -0.62 -5.01 105.19 108.88 3kb8 n GLY 134 Ca -0.01 -0.58 -0.42 0.00 0.00 0.00 0.00 46.02 45.01 3kb8 n GLY 134 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kb8 n ARG 135 N 0.77 2.07 0.00 1.61 5.12 -0.77 -3.48 116.66 121.96 3kb8 n ARG 135 Ca 0.16 0.73 0.00 0.00 -1.93 0.00 0.00 57.85 56.81 3kb8 n ARG 135 Cb 0.48 -2.37 0.00 0.00 -1.16 0.00 0.00 32.46 29.41 3kb8 n ARG 135 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 3kb8 n LYS 136 N 0.31 1.62 -3.49 5.56 5.02 -0.12 -4.93 118.16 122.14 3kb8 n LYS 136 Ca 0.05 -1.10 -0.15 0.00 -2.02 0.00 0.00 58.31 55.10 3kb8 n LYS 136 Cb 0.38 -0.92 -0.04 0.00 -0.02 0.00 0.00 35.03 34.43 3kb8 n LYS 136 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3kb8 s VAL 137 N -0.62 0.01 -0.88 -0.18 0.11 -1.23 -4.98 120.40 112.63 3kb8 s VAL 137 Ca 0.00 -0.04 -0.24 0.00 -2.93 0.00 0.00 61.98 58.77 3kb8 s VAL 137 Cb 0.00 -1.00 0.06 0.00 -1.53 0.00 0.00 36.38 33.91 3kb8 s VAL 137 CO 0.00 -0.02 1.31 -1.81 -3.33 0.00 0.00 175.10 171.24 3kb8 s ASP 138 N -2.00 6.38 -0.12 3.54 1.11 -1.26 -4.89 116.67 119.43 3kb8 s ASP 138 Ca -0.05 -1.16 -0.01 0.00 0.18 0.00 0.00 52.55 51.51 3kb8 s ASP 138 Cb -0.01 -2.53 0.03 0.00 1.07 0.00 0.00 42.92 41.49 3kb8 s ASP 138 CO -0.02 -1.55 -0.03 -0.22 1.18 0.00 0.00 175.17 174.53 3kb8 s LEU 139 N 4.84 1.01 -0.15 1.23 2.96 -1.26 -5.13 118.68 122.18 3kb8 s LEU 139 Ca 0.38 -0.34 -0.02 0.00 -0.22 0.00 0.00 54.13 53.93 3kb8 s LEU 139 Cb -0.05 -0.66 -0.02 0.00 0.50 0.00 0.00 46.19 45.96 3kb8 s LEU 139 CO -0.00 -0.18 -0.08 -0.54 -1.32 0.00 0.00 176.35 174.23 3kb8 s LYS 140 N 1.82 3.50 0.47 1.98 1.02 -1.26 -5.04 119.74 122.23 3kb8 s LYS 140 Ca 0.04 -0.61 -0.22 0.00 0.02 0.00 0.00 55.97 55.19 3kb8 s LYS 140 Cb -0.13 -2.80 -0.07 0.00 -0.52 0.00 0.00 37.83 34.30 3kb8 s LYS 140 CO -0.07 0.16 1.15 0.00 -0.92 0.00 0.00 175.35 175.66 3kb8 s ALA 141 N 0.54 2.92 0.06 5.17 0.00 -1.26 -4.90 121.76 124.29 3kb8 s ALA 141 Ca -0.06 0.88 0.06 0.00 0.00 0.00 0.00 51.96 52.84 3kb8 s ALA 141 Cb -0.15 -3.37 -0.23 0.00 0.00 0.00 0.00 23.12 19.37 3kb8 s ALA 141 CO 0.03 -0.64 1.06 -0.44 0.00 0.00 0.00 175.76 175.77 3kb8 h ASP 142 N 1.88 0.10 -3.61 0.00 3.32 -1.52 -3.45 116.42 113.14 3kb8 h ASP 142 Ca -0.49 -0.13 -0.37 0.00 0.02 0.00 0.00 57.03 56.06 3kb8 h ASP 142 Cb 1.25 -0.03 -0.32 0.00 0.22 0.00 0.00 39.33 40.44 3kb8 h ASP 142 CO 0.60 1.11 -0.76 -0.31 -1.72 0.00 0.00 179.24 178.15 3kb8 s TYR 143 N -2.66 0.54 -0.05 4.55 2.02 -0.14 -5.01 117.35 116.60 3kb8 s TYR 143 Ca -0.02 -0.11 0.01 0.00 -0.37 0.00 0.00 57.07 56.57 3kb8 s TYR 143 Cb 0.09 -0.48 0.02 0.00 -0.40 0.00 0.00 41.96 41.19 3kb8 s TYR 143 CO 0.83 -0.11 -0.04 0.08 -1.57 0.00 0.00 175.55 174.74 3kb8 s VAL 144 N 0.61 0.54 -0.02 0.71 1.01 -1.26 -0.47 120.40 121.52 3kb8 s VAL 144 Ca -0.07 -0.10 -0.08 0.00 0.00 0.00 0.00 61.98 61.72 3kb8 s VAL 144 Cb -0.10 -0.58 -0.05 0.00 0.00 0.00 0.00 36.38 35.65 3kb8 s VAL 144 CO -0.00 0.23 0.54 1.23 0.00 0.00 0.00 175.10 177.10 3kb8 h GLY 145 N 7.33 -0.31 -5.35 4.51 0.00 -0.68 -3.48 103.07 105.09 3kb8 h GLY 145 Ca -0.35 0.11 -0.19 0.00 0.00 0.00 0.00 47.33 46.90 3kb8 h GLY 145 CO 0.45 -0.11 -0.57 -1.36 0.00 0.00 0.00 176.54 174.95 3kb8 s PHE 146 N -2.65 -0.10 -0.10 5.60 0.08 0.82 -5.00 117.98 116.64 3kb8 s PHE 146 Ca -0.04 0.25 -0.15 0.00 0.12 0.00 0.00 56.93 57.10 3kb8 s PHE 146 Cb 0.00 0.03 -0.05 0.00 -0.57 0.00 0.00 43.02 42.43 3kb8 s PHE 146 CO 0.13 -0.10 0.39 0.99 -0.10 0.00 0.00 175.22 176.53 3kb8 s THR 147 N -0.16 5.19 0.03 0.64 2.01 -1.26 -0.52 115.64 121.56 3kb8 s THR 147 Ca -0.02 0.77 0.06 0.00 0.31 0.00 0.00 61.69 62.81 3kb8 s THR 147 Cb -0.02 -3.72 -0.02 0.00 0.01 0.00 0.00 72.50 68.75 3kb8 s THR 147 CO 0.00 0.43 -0.17 0.54 -0.69 0.00 0.00 174.62 174.73 3kb8 s VAL 148 N 0.03 1.34 0.34 3.82 0.11 0.25 -4.89 120.40 121.40 3kb8 s VAL 148 Ca 0.22 -1.00 0.11 0.00 -2.93 0.00 0.00 61.98 58.37 3kb8 s VAL 148 Cb -0.15 -1.17 0.07 0.00 -1.53 0.00 0.00 36.38 33.60 3kb8 s VAL 148 CO 0.09 0.15 1.78 1.55 -3.33 0.00 0.00 175.10 175.34 3kb8 h PRO 149 N 5.07 0.08 -4.15 1.54 0.13 -1.98 -3.37 132.00 129.31 3kb8 h PRO 149 Ca -0.39 -0.03 -0.15 0.00 -0.87 0.00 0.00 66.00 64.55 3kb8 h PRO 149 Cb 1.17 -0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.17 3kb8 h PRO 149 CO 0.45 0.45 -0.41 -3.38 -0.23 0.00 0.00 178.00 174.88 3kb8 s HIS 150 N -4.17 0.75 -1.91 1.56 -3.43 -1.26 -4.89 115.29 101.95 3kb8 s HIS 150 Ca -0.03 -1.05 0.18 0.00 -0.80 0.00 0.00 55.06 53.35 3kb8 s HIS 150 Cb 0.14 -0.23 0.33 0.00 -1.43 0.00 0.00 32.58 31.40 3kb8 s HIS 150 CO 0.74 -0.76 1.26 -0.85 -2.00 0.00 0.00 174.74 173.13 3kb8 n GLU 151 N -0.29 2.20 -1.72 -0.38 0.00 -1.26 -4.78 120.64 114.42 3kb8 n GLU 151 Ca -0.01 -2.02 -0.42 0.00 0.00 0.00 0.00 57.16 54.70 3kb8 n GLU 151 Cb 0.64 -1.40 -0.00 0.00 0.00 0.00 0.00 31.44 30.68 3kb8 n GLU 151 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 3kb8 n PHE 152 N 1.12 3.51 -4.07 -1.84 3.72 -1.26 -4.86 117.46 113.77 3kb8 n PHE 152 Ca 0.15 -2.98 -0.07 0.00 -0.05 0.00 0.00 57.45 54.50 3kb8 n PHE 152 Cb 0.50 -2.55 -0.10 0.00 -0.94 0.00 0.00 39.48 36.39 3kb8 n PHE 152 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 176.76 176.85 3kb8 s VAL 153 N 3.19 0.21 0.24 -4.37 -7.23 -1.26 -4.60 120.40 106.58 3kb8 s VAL 153 Ca 0.47 -1.70 0.01 0.00 -1.81 0.00 0.00 61.98 58.96 3kb8 s VAL 153 Cb 0.14 -1.37 -0.05 0.00 0.56 0.00 0.00 36.38 35.66 3kb8 s VAL 153 CO -0.09 -0.94 0.07 0.68 -0.31 0.00 0.00 175.10 174.52 3kb8 s VAL 154 N -3.63 0.59 0.00 1.32 -7.23 -0.26 -4.63 120.40 106.57 3kb8 s VAL 154 Ca 0.04 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.22 3kb8 s VAL 154 Cb 0.06 -2.51 0.00 0.00 0.56 0.00 0.00 36.38 34.49 3kb8 s VAL 154 CO -0.09 -0.12 0.00 0.61 -0.31 0.00 0.00 175.10 175.19 3kb8 n GLY 155 N -0.41 2.26 4.03 2.32 0.00 0.39 -0.78 105.19 113.00 3kb8 n GLY 155 Ca -0.02 -1.88 -0.27 0.00 0.00 0.00 0.00 46.02 43.85 3kb8 n GLY 155 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3kb8 n TYR 156 N 1.93 -1.61 0.00 1.61 9.36 0.24 -1.14 117.16 127.55 3kb8 n TYR 156 Ca 0.00 0.74 0.00 0.00 3.32 0.00 0.00 57.90 61.96 3kb8 n TYR 156 Cb 0.00 -3.54 0.00 0.00 -0.63 0.00 0.00 39.34 35.17 3kb8 n TYR 156 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3kb8 n GLY 157 N -2.00 2.97 3.74 2.98 0.00 0.40 -4.59 105.19 108.69 3kb8 n GLY 157 Ca -0.27 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.35 3kb8 n GLY 157 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3kb8 s LEU 158 N 0.00 4.44 0.35 0.99 1.43 -0.29 -4.22 118.68 121.39 3kb8 s LEU 158 Ca 0.00 1.49 0.08 0.00 -1.03 0.00 0.00 54.13 54.67 3kb8 s LEU 158 Cb 0.00 -3.30 -0.05 0.00 0.03 0.00 0.00 46.19 42.88 3kb8 s LEU 158 CO 0.00 -0.03 0.13 1.51 0.23 0.00 0.00 176.35 178.19 3kb8 s ASP 159 N 0.11 4.54 -0.15 2.29 -4.77 -1.26 -0.46 116.67 116.97 3kb8 s ASP 159 Ca 0.41 -0.87 -0.01 0.00 -3.30 0.00 0.00 52.55 48.78 3kb8 s ASP 159 Cb -0.21 -0.64 0.04 0.00 -1.09 0.00 0.00 42.92 41.02 3kb8 s ASP 159 CO 0.24 -0.34 -0.05 -0.47 0.70 0.00 0.00 175.17 175.26 3kb8 s TYR 160 N -2.48 1.52 -1.59 2.11 5.04 -0.57 -4.81 117.35 116.58 3kb8 s TYR 160 Ca 0.38 -0.91 -0.11 0.00 -2.44 0.00 0.00 57.07 53.98 3kb8 s TYR 160 Cb -0.01 -1.23 0.10 0.00 0.35 0.00 0.00 41.96 41.16 3kb8 s TYR 160 CO 0.22 -0.57 0.65 1.63 -1.34 0.00 0.00 175.55 176.15 3kb8 n LYS 161 N 4.93 -3.31 -0.78 4.97 5.02 -1.26 -0.80 118.16 126.93 3kb8 n LYS 161 Ca -0.11 0.39 0.00 0.00 -2.02 0.00 0.00 58.31 56.57 3kb8 n LYS 161 Cb 0.48 -4.89 0.00 0.00 -0.02 0.00 0.00 35.03 30.61 3kb8 n LYS 161 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3kb8 n GLU 162 N -4.42 0.00 -3.49 1.97 -0.58 -1.26 -5.01 120.64 107.86 3kb8 n GLU 162 Ca -0.07 0.00 -0.20 0.00 -0.42 0.00 0.00 57.16 56.47 3kb8 n GLU 162 Cb 0.57 -2.92 -0.02 0.00 -0.57 0.00 0.00 31.44 28.50 3kb8 n GLU 162 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 3kb8 s GLN 163 N -0.23 2.62 0.00 3.49 -0.21 0.02 -4.65 119.66 120.71 3kb8 s GLN 163 Ca 0.00 -1.44 0.00 0.00 0.02 0.00 0.00 55.36 53.94 3kb8 s GLN 163 Cb 0.00 -2.47 0.00 0.00 1.00 0.00 0.00 33.01 31.54 3kb8 s GLN 163 CO 0.00 -0.17 0.00 0.66 -2.12 0.00 0.00 175.29 173.66 3kb8 n TYR 164 N -1.59 0.00 0.19 0.91 4.01 -1.26 -1.51 117.16 117.91 3kb8 n TYR 164 Ca 0.04 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.82 3kb8 n TYR 164 Cb 0.61 -0.08 0.45 0.00 -0.31 0.00 0.00 39.34 40.01 3kb8 n TYR 164 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3kb8 h ARG 165 N 2.52 0.07 0.00 -0.72 3.08 -1.83 -2.42 114.38 115.09 3kb8 h ARG 165 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3kb8 h ARG 165 Cb 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.04 3kb8 h ARG 165 CO 0.00 0.26 0.00 0.27 -1.07 0.00 0.00 179.97 179.43 3kb8 n ASN 166 N -4.28 0.00 -4.77 7.04 6.94 -1.26 -0.45 115.26 118.48 3kb8 n ASN 166 Ca -0.02 -0.33 -0.41 0.00 -0.02 0.00 0.00 54.58 53.80 3kb8 n ASN 166 Cb 0.27 -0.20 -0.01 0.00 -2.36 0.00 0.00 39.78 37.48 3kb8 n ASN 166 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 3kb8 s LEU 167 N -2.39 4.37 0.00 -4.53 1.43 -0.92 -4.80 118.68 111.83 3kb8 s LEU 167 Ca 0.30 2.85 0.18 0.00 -1.03 0.00 0.00 54.13 56.43 3kb8 s LEU 167 Cb 0.18 -3.65 1.03 0.00 0.03 0.00 0.00 46.19 43.78 3kb8 s LEU 167 CO 0.38 -0.73 1.67 -0.81 0.23 0.00 0.00 176.35 177.09 3kb8 n PRO 168 N 0.99 1.02 -4.38 1.29 -0.04 -1.26 -0.59 135.00 132.03 3kb8 n PRO 168 Ca 0.02 -0.04 -0.21 0.00 -0.04 0.00 0.00 63.50 63.23 3kb8 n PRO 168 Cb 0.40 -1.28 -0.08 0.00 -0.04 0.00 0.00 33.50 32.50 3kb8 n PRO 168 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 3kb8 s TYR 169 N -1.99 1.71 -0.20 0.54 -0.85 -1.26 -4.02 117.35 111.28 3kb8 s TYR 169 Ca 0.26 -1.44 -0.04 0.00 -0.52 0.00 0.00 57.07 55.33 3kb8 s TYR 169 Cb 0.12 -0.92 -0.02 0.00 0.38 0.00 0.00 41.96 41.52 3kb8 s TYR 169 CO 0.20 -0.56 -0.02 0.08 -1.52 0.00 0.00 175.55 173.74 3kb8 s VAL 170 N -3.42 3.76 0.40 -3.49 1.01 -0.52 -3.03 120.40 115.12 3kb8 s VAL 170 Ca 0.33 -0.38 0.04 0.00 0.00 0.00 0.00 61.98 61.97 3kb8 s VAL 170 Cb 0.03 -2.69 -0.02 0.00 0.00 0.00 0.00 36.38 33.69 3kb8 s VAL 170 CO 0.20 0.43 0.15 -0.83 0.00 0.00 0.00 175.10 175.05 3kb8 s GLY 171 N 1.07 2.60 -0.12 4.51 0.00 0.04 -0.73 107.32 114.70 3kb8 s GLY 171 Ca 0.02 -1.29 0.02 0.00 0.00 0.00 0.00 44.72 43.47 3kb8 s GLY 171 CO 0.01 -1.80 -0.20 0.14 0.00 0.00 0.00 173.10 171.25 3kb8 s VAL 172 N -3.23 2.38 0.55 1.40 1.01 -0.18 -1.10 120.40 121.23 3kb8 s VAL 172 Ca 0.25 -0.90 -0.19 0.00 0.00 0.00 0.00 61.98 61.15 3kb8 s VAL 172 Cb 0.02 -1.95 -0.06 0.00 0.00 0.00 0.00 36.38 34.40 3kb8 s VAL 172 CO 0.16 0.55 1.09 -0.76 0.00 0.00 0.00 175.10 176.13 3kb8 s LEU 173 N 0.42 3.71 0.46 3.92 1.43 -1.26 0.22 118.68 127.58 3kb8 s LEU 173 Ca -0.15 2.03 -0.21 0.00 -1.03 0.00 0.00 54.13 54.77 3kb8 s LEU 173 Cb -0.17 -4.56 -0.09 0.00 0.03 0.00 0.00 46.19 41.40 3kb8 s LEU 173 CO 0.06 -1.12 1.03 -0.54 0.23 0.00 0.00 176.35 176.02 3kb8 s LYS 174 N -3.46 3.92 0.32 1.70 1.02 -0.46 -4.52 119.74 118.26 3kb8 s LYS 174 Ca 0.69 1.38 0.08 0.00 0.02 0.00 0.00 55.97 58.14 3kb8 s LYS 174 Cb -0.20 -2.20 0.79 0.00 -0.52 0.00 0.00 37.83 35.70 3kb8 s LYS 174 CO 0.28 -0.33 1.79 -1.35 -0.92 0.00 0.00 175.35 174.82 3kb8 h PRO 175 N 1.80 0.70 0.00 -1.68 0.11 -1.91 -2.06 132.00 128.96 3kb8 h PRO 175 Ca -0.49 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.57 3kb8 h PRO 175 Cb 1.22 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 3kb8 h PRO 175 CO 0.60 0.46 -0.03 0.66 -0.21 0.00 0.00 178.00 179.48 3kb8 h SER 176 N 0.72 0.00 -0.18 -2.05 4.64 -1.92 -2.44 113.55 112.32 3kb8 h SER 176 Ca 0.56 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.81 3kb8 h SER 176 Cb 0.93 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.00 3kb8 h SER 176 CO -0.34 0.03 -0.10 0.58 -0.87 0.00 0.00 176.83 176.13 3kb8 h VAL 177 N 0.00 1.23 -0.20 0.95 2.07 -1.73 -2.93 116.25 115.64 3kb8 h VAL 177 Ca -0.00 -1.00 -0.02 0.00 0.82 0.00 0.00 66.70 66.50 3kb8 h VAL 177 Cb 0.10 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 3kb8 h VAL 177 CO 0.00 0.33 -0.01 0.00 0.02 0.00 0.00 177.57 177.91 3kb8 n TYR 178 N -4.21 0.71 -0.39 1.57 4.11 -0.96 -5.11 117.16 112.88 3kb8 n TYR 178 Ca 0.01 -0.98 0.00 0.00 -0.00 0.00 0.00 57.90 56.92 3kb8 n TYR 178 Cb 0.31 -0.29 0.00 0.00 -0.00 0.00 0.00 39.34 39.36 3kb8 n TYR 178 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.86 177.29