#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 2.34 0.18 0.00 -2.45 -1.26 -5.06 119.30 113.05 3kb8 s MET 1 Ca 0.00 -1.13 -0.13 0.00 -1.25 0.00 0.00 55.69 53.18 3kb8 s MET 1 Cb 0.00 -2.33 0.15 0.00 1.25 0.00 0.00 34.83 33.91 3kb8 s MET 1 CO 0.00 0.45 1.75 0.52 1.05 0.00 0.00 175.02 178.80 3kb8 h MET 2 N 2.77 0.35 -0.40 4.11 0.00 -2.04 -1.21 114.93 118.51 3kb8 h MET 2 Ca -0.47 -0.02 0.12 0.00 0.00 0.00 0.00 59.70 59.32 3kb8 h MET 2 Cb 1.20 -0.08 -0.02 0.00 0.00 0.00 0.00 31.60 32.71 3kb8 h MET 2 CO 0.57 0.23 0.39 -0.91 0.00 0.00 0.00 176.91 177.20 3kb8 h ASN 3 N 0.36 0.00 0.51 1.22 2.35 -1.97 0.28 115.58 118.33 3kb8 h ASN 3 Ca 0.23 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 3kb8 h ASN 3 Cb 0.22 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.59 3kb8 h ASN 3 CO -0.22 0.00 0.00 1.67 -1.65 0.00 0.00 177.43 177.23 3kb8 n GLN 4 N -3.85 0.07 0.00 0.81 7.27 -0.46 -2.02 117.38 119.20 3kb8 n GLN 4 Ca 0.07 0.35 0.11 0.00 0.07 0.00 0.00 57.00 57.59 3kb8 n GLN 4 Cb 0.57 -1.65 -0.04 0.00 2.41 0.00 0.00 30.24 31.54 3kb8 n GLN 4 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 3kb8 n ASP 5 N -1.78 1.57 -4.63 1.69 8.00 0.98 -4.92 116.55 117.45 3kb8 n ASP 5 Ca 0.03 -1.27 -0.39 0.00 0.71 0.00 0.00 54.79 53.86 3kb8 n ASP 5 Cb 0.17 0.68 -0.08 0.00 -0.02 0.00 0.00 41.12 41.86 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 -2.70 5.14 0.12 0.53 -1.09 -0.86 -0.61 121.20 121.73 3kb8 s ILE 6 Ca 0.14 0.74 -0.04 0.00 -2.23 0.00 0.00 60.65 59.26 3kb8 s ILE 6 Cb 0.17 -3.76 -0.20 0.00 -1.58 0.00 0.00 42.46 37.09 3kb8 s ILE 6 CO 0.69 0.15 1.28 -0.08 -1.23 0.00 0.00 174.94 175.76 3kb8 h GLU 7 N 7.91 0.37 -1.87 2.79 4.81 -0.41 -3.45 114.58 124.73 3kb8 h GLU 7 Ca -0.32 -0.43 -0.00 0.00 -0.13 0.00 0.00 59.36 58.48 3kb8 h GLU 7 Cb 1.15 0.13 -0.23 0.00 0.63 0.00 0.00 28.75 30.44 3kb8 h GLU 7 CO 0.69 1.11 0.22 0.21 -0.73 0.00 0.00 179.01 180.52 3kb8 s LYS 8 N -3.16 0.73 -0.45 1.92 2.20 -1.20 -5.00 119.74 114.78 3kb8 s LYS 8 Ca -0.05 0.89 -0.26 0.00 -0.36 0.00 0.00 55.97 56.18 3kb8 s LYS 8 Cb 0.09 0.34 0.03 0.00 -1.51 0.00 0.00 37.83 36.77 3kb8 s LYS 8 CO 0.87 -0.09 0.97 0.08 -0.36 0.00 0.00 175.35 176.82 3kb8 s VAL 9 N 0.42 4.43 0.07 4.02 1.01 -1.26 -1.05 120.40 128.04 3kb8 s VAL 9 Ca 0.00 0.92 -0.07 0.00 0.00 0.00 0.00 61.98 62.83 3kb8 s VAL 9 Cb -0.05 -4.45 -0.29 0.00 0.00 0.00 0.00 36.38 31.58 3kb8 s VAL 9 CO -0.03 -0.82 1.12 -0.07 0.00 0.00 0.00 175.10 175.30 3kb8 h LEU 10 N 10.62 0.55 -7.34 3.92 3.38 -1.39 -3.44 115.31 121.61 3kb8 h LEU 10 Ca -0.24 -0.57 -0.43 0.00 0.09 0.00 0.00 57.88 56.73 3kb8 h LEU 10 Cb 1.07 -0.18 -0.39 0.00 0.09 0.00 0.00 40.66 41.25 3kb8 h LEU 10 CO 1.04 1.44 -0.75 -0.63 0.09 0.00 0.00 178.44 179.62 3kb8 s ILE 11 N -2.71 0.16 0.83 1.22 1.01 -0.85 -5.02 121.20 115.84 3kb8 s ILE 11 Ca -0.06 0.12 -0.11 0.00 0.00 0.00 0.00 60.65 60.60 3kb8 s ILE 11 Cb 0.06 -0.46 0.09 0.00 0.01 0.00 0.00 42.46 42.17 3kb8 s ILE 11 CO 0.90 0.11 1.09 -0.94 0.00 0.00 0.00 174.94 176.10 3kb8 s SER 12 N 2.05 4.11 0.16 3.58 1.04 -1.26 -1.80 113.70 121.58 3kb8 s SER 12 Ca 0.04 1.45 -0.15 0.00 0.48 0.00 0.00 55.95 57.77 3kb8 s SER 12 Cb -0.13 -2.17 0.04 0.00 0.10 0.00 0.00 66.02 63.86 3kb8 s SER 12 CO -0.05 -2.23 1.77 -0.08 0.98 0.00 0.00 173.24 173.63 3kb8 h GLU 13 N -1.27 0.67 -0.69 4.02 4.81 -1.95 -0.33 114.58 119.83 3kb8 h GLU 13 Ca -0.48 -0.07 0.08 0.00 -0.13 0.00 0.00 59.36 58.77 3kb8 h GLU 13 Cb 1.27 -0.13 -0.07 0.00 0.63 0.00 0.00 28.75 30.45 3kb8 h GLU 13 CO 0.56 0.51 0.35 1.49 -0.73 0.00 0.00 179.01 181.20 3kb8 h GLU 14 N 0.64 0.60 -0.58 1.92 4.81 -1.93 0.38 114.58 120.42 3kb8 h GLU 14 Ca 0.17 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.29 3kb8 h GLU 14 Cb 0.03 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 3kb8 h GLU 14 CO -0.03 0.40 0.08 1.96 -0.73 0.00 0.00 179.01 180.69 3kb8 h GLN 15 N 0.62 0.98 0.13 1.92 4.20 -1.80 -1.63 115.11 119.53 3kb8 h GLN 15 Ca 0.33 -0.27 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 3kb8 h GLN 15 Cb 0.31 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.98 3kb8 h GLN 15 CO -0.24 0.93 -0.06 0.82 -0.67 0.00 0.00 178.83 179.60 3kb8 h ILE 16 N 0.87 0.91 -0.62 2.54 2.04 -0.23 -2.10 117.51 120.93 3kb8 h ILE 16 Ca 0.18 -0.18 0.08 0.00 1.00 0.00 0.00 64.86 65.94 3kb8 h ILE 16 Cb 0.44 1.03 -0.06 0.00 -0.74 0.00 0.00 36.82 37.48 3kb8 h ILE 16 CO 0.01 0.04 0.28 1.56 0.00 0.00 0.00 178.15 180.05 3kb8 h GLN 17 N -0.26 0.49 -0.57 2.37 4.20 -0.16 -0.89 115.11 120.29 3kb8 h GLN 17 Ca -0.02 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.63 3kb8 h GLN 17 Cb 0.21 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 3kb8 h GLN 17 CO 0.03 0.32 0.23 0.93 -0.67 0.00 0.00 178.83 179.67 3kb8 h GLU 18 N 0.51 0.85 -0.47 1.46 5.08 -1.18 -1.95 114.58 118.87 3kb8 h GLU 18 Ca 0.30 -0.15 -0.10 0.00 -1.00 0.00 0.00 59.36 58.41 3kb8 h GLU 18 Cb 0.31 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 3kb8 h GLU 18 CO -0.25 0.73 -0.11 -0.22 -1.00 0.00 0.00 179.01 178.16 3kb8 h LYS 19 N 0.78 0.86 -0.08 2.33 1.63 -0.82 -2.39 116.57 118.88 3kb8 h LYS 19 Ca 0.19 -0.30 -0.08 0.00 -0.85 0.00 0.00 60.65 59.62 3kb8 h LYS 19 Cb 0.20 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 31.75 3kb8 h LYS 19 CO -0.02 0.93 -0.30 0.28 -3.45 0.00 0.00 179.45 176.90 3kb8 h VAL 20 N 0.77 1.24 -0.23 2.00 2.07 -1.02 0.65 116.25 121.74 3kb8 h VAL 20 Ca 0.13 -1.16 -0.11 0.00 0.82 0.00 0.00 66.70 66.37 3kb8 h VAL 20 Cb 0.62 1.51 -0.00 0.00 -1.52 0.00 0.00 31.29 31.90 3kb8 h VAL 20 CO 0.04 0.34 -0.30 0.25 0.02 0.00 0.00 177.57 177.92 3kb8 h LEU 21 N 0.13 0.67 0.33 2.57 5.85 -1.10 -1.50 115.31 122.27 3kb8 h LEU 21 Ca 0.02 -0.50 -0.02 0.00 0.84 0.00 0.00 57.88 58.22 3kb8 h LEU 21 Cb 0.60 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.44 3kb8 h LEU 21 CO 0.04 1.04 -0.16 -0.08 -0.34 0.00 0.00 178.44 178.94 3kb8 h GLU 22 N 0.32 -0.43 -0.90 1.25 4.81 -1.21 -2.56 114.58 115.86 3kb8 h GLU 22 Ca 0.03 0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.28 3kb8 h GLU 22 Cb 0.88 0.10 -0.04 0.00 0.63 0.00 0.00 28.75 30.31 3kb8 h GLU 22 CO 0.07 -0.23 0.54 -0.07 -0.73 0.00 0.00 179.01 178.58 3kb8 h LEU 23 N -0.53 1.09 -1.04 1.64 3.38 -0.88 -2.26 115.31 116.72 3kb8 h LEU 23 Ca -0.05 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 3kb8 h LEU 23 Cb 0.40 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 3kb8 h LEU 23 CO 0.07 0.84 0.31 1.23 0.09 0.00 0.00 178.44 180.99 3kb8 h GLY 24 N 1.25 1.07 0.93 0.83 0.00 -1.20 0.92 103.07 106.88 3kb8 h GLY 24 Ca 0.32 -0.53 -0.10 0.00 0.00 0.00 0.00 47.33 47.03 3kb8 h GLY 24 CO -0.06 0.50 -0.19 0.00 0.00 0.00 0.00 176.54 176.80 3kb8 h ALA 25 N 1.35 0.43 -0.10 3.60 0.00 -1.17 -0.78 119.26 122.59 3kb8 h ALA 25 Ca 0.24 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 3kb8 h ALA 25 Cb 0.13 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3kb8 h ALA 25 CO -0.03 0.36 0.06 0.82 0.00 0.00 0.00 179.25 180.47 3kb8 h ILE 26 N 0.41 1.05 -0.34 0.00 2.04 -0.99 -1.42 117.51 118.27 3kb8 h ILE 26 Ca 0.06 -0.13 -0.09 0.00 1.00 0.00 0.00 64.86 65.70 3kb8 h ILE 26 Cb 0.72 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.74 3kb8 h ILE 26 CO 0.05 0.05 -0.17 0.40 0.00 0.00 0.00 178.15 178.48 3kb8 h ILE 27 N 0.11 1.26 -0.68 -0.67 2.04 -0.85 -1.46 117.51 117.26 3kb8 h ILE 27 Ca 0.04 -1.19 -0.01 0.00 1.00 0.00 0.00 64.86 64.70 3kb8 h ILE 27 Cb 0.02 1.18 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 3kb8 h ILE 27 CO -0.01 0.39 0.39 0.00 0.00 0.00 0.00 178.15 178.93 3kb8 h ALA 28 N 1.25 0.87 -0.26 1.87 0.00 -0.89 -1.91 119.26 120.18 3kb8 h ALA 28 Ca 0.09 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 3kb8 h ALA 28 Cb 0.61 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 3kb8 h ALA 28 CO 0.04 0.36 -0.22 1.49 0.00 0.00 0.00 179.25 180.91 3kb8 h GLU 29 N 0.93 0.62 0.00 0.00 4.81 -0.98 -2.62 114.58 117.32 3kb8 h GLU 29 Ca 0.24 -0.31 -0.03 0.00 -0.13 0.00 0.00 59.36 59.13 3kb8 h GLU 29 Cb -0.00 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 3kb8 h GLU 29 CO -0.04 0.91 -0.13 -0.44 -0.73 0.00 0.00 179.01 178.57 3kb8 h ASP 30 N 0.34 0.00 -0.20 1.04 3.32 -0.92 -2.96 116.42 117.04 3kb8 h ASP 30 Ca 0.05 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.03 3kb8 h ASP 30 Cb 0.78 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.29 3kb8 h ASP 30 CO 0.06 0.13 -0.11 -1.22 -1.72 0.00 0.00 179.24 176.37 3kb8 n TYR 31 N -4.26 0.64 0.05 4.55 4.01 -0.75 -4.78 117.16 116.62 3kb8 n TYR 31 Ca -0.03 -1.28 0.10 0.00 -0.16 0.00 0.00 57.90 56.54 3kb8 n TYR 31 Cb 0.20 -0.34 0.55 0.00 -0.31 0.00 0.00 39.34 39.45 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 0.99 0.26 0.03 -0.72 2.10 -1.29 -3.22 116.57 114.72 3kb8 h LYS 32 Ca 0.08 -0.02 -0.11 0.00 -2.00 0.00 0.00 60.65 58.60 3kb8 h LYS 32 Cb 1.36 -0.06 0.01 0.00 -0.90 0.00 0.00 32.23 32.64 3kb8 h LYS 32 CO 0.20 0.17 -0.47 -2.95 -2.00 0.00 0.00 179.45 174.41 3kb8 h ASN 33 N 0.27 0.36 -4.00 7.07 -1.07 -1.86 -3.47 115.58 112.88 3kb8 h ASN 33 Ca 0.16 -0.83 -0.55 0.00 0.07 0.00 0.00 56.30 55.15 3kb8 h ASN 33 Cb 0.31 -0.11 -0.31 0.00 -2.07 0.00 0.00 38.32 36.14 3kb8 h ASN 33 CO -0.03 1.15 -0.83 0.42 0.07 0.00 0.00 177.43 178.20 3kb8 s THR 34 N -2.91 1.37 -0.36 6.14 -4.23 -1.22 -5.09 115.64 109.35 3kb8 s THR 34 Ca -0.15 -0.70 -0.28 0.00 -1.18 0.00 0.00 61.69 59.38 3kb8 s THR 34 Cb 0.01 -1.17 -0.03 0.00 1.34 0.00 0.00 72.50 72.65 3kb8 s THR 34 CO 0.78 0.40 2.00 0.54 -0.54 0.00 0.00 174.62 177.80 3kb8 s VAL 35 N -0.07 3.27 0.73 2.29 0.11 -1.26 -4.88 120.40 120.59 3kb8 s VAL 35 Ca -0.01 0.25 -0.08 0.00 -2.93 0.00 0.00 61.98 59.21 3kb8 s VAL 35 Cb -0.10 -3.43 0.06 0.00 -1.53 0.00 0.00 36.38 31.38 3kb8 s VAL 35 CO 0.01 -0.32 1.05 -2.16 -3.33 0.00 0.00 175.10 170.36 3kb8 s PRO 36 N 6.38 2.15 -0.40 1.54 0.04 -1.26 -4.75 135.00 138.70 3kb8 s PRO 36 Ca 0.86 -0.16 -0.13 0.00 0.04 0.00 0.00 61.00 61.60 3kb8 s PRO 36 Cb -0.23 -2.12 0.03 0.00 0.04 0.00 0.00 34.50 32.22 3kb8 s PRO 36 CO 0.31 -1.32 0.27 -1.17 0.04 0.00 0.00 177.00 175.14 3kb8 s LEU 37 N -5.32 5.01 -0.28 -3.56 2.96 -0.07 -1.81 118.68 115.60 3kb8 s LEU 37 Ca 0.60 -0.98 -0.20 0.00 -0.22 0.00 0.00 54.13 53.33 3kb8 s LEU 37 Cb -0.11 -2.11 -0.01 0.00 0.50 0.00 0.00 46.19 44.46 3kb8 s LEU 37 CO 0.46 -0.44 0.63 0.00 -1.32 0.00 0.00 176.35 175.68 3kb8 s ALA 38 N 1.63 3.57 -0.08 5.97 0.00 0.10 -1.47 121.76 131.48 3kb8 s ALA 38 Ca 0.04 -0.54 0.04 0.00 0.00 0.00 0.00 51.96 51.49 3kb8 s ALA 38 Cb -0.19 -3.08 -0.01 0.00 0.00 0.00 0.00 23.12 19.84 3kb8 s ALA 38 CO 0.08 -0.96 -0.21 0.42 0.00 0.00 0.00 175.76 175.10 3kb8 s ILE 39 N 2.58 2.41 0.04 0.00 1.01 -0.14 -0.63 121.20 126.47 3kb8 s ILE 39 Ca 0.26 -0.93 0.08 0.00 0.00 0.00 0.00 60.65 60.07 3kb8 s ILE 39 Cb -0.15 -1.92 -0.03 0.00 0.01 0.00 0.00 42.46 40.37 3kb8 s ILE 39 CO 0.10 0.56 -0.23 -0.83 0.00 0.00 0.00 174.94 174.54 3kb8 s GLY 40 N -0.06 1.46 -0.26 6.18 0.00 -0.72 -0.26 107.32 113.66 3kb8 s GLY 40 Ca -0.05 -1.23 -0.14 0.00 0.00 0.00 0.00 44.72 43.30 3kb8 s GLY 40 CO 0.04 -1.11 0.31 0.14 0.00 0.00 0.00 173.10 172.48 3kb8 s VAL 41 N -0.84 5.23 0.65 1.40 1.01 -1.26 -1.75 120.40 124.83 3kb8 s VAL 41 Ca 0.13 0.46 -0.18 0.00 0.00 0.00 0.00 61.98 62.39 3kb8 s VAL 41 Cb -0.10 -3.64 -0.01 0.00 0.00 0.00 0.00 36.38 32.63 3kb8 s VAL 41 CO 0.03 0.21 1.27 -0.76 0.00 0.00 0.00 175.10 175.85 3kb8 s LEU 42 N 1.78 3.56 -0.10 3.92 1.02 -0.69 -3.52 118.68 124.66 3kb8 s LEU 42 Ca 0.13 2.56 0.16 0.00 0.02 0.00 0.00 54.13 57.00 3kb8 s LEU 42 Cb -0.15 -4.61 -0.24 0.00 0.02 0.00 0.00 46.19 41.21 3kb8 s LEU 42 CO 0.09 -1.97 0.21 0.29 0.02 0.00 0.00 176.35 174.99 3kb8 n LYS 43 N -1.93 0.95 -0.26 1.70 5.02 -1.26 -4.80 118.16 117.58 3kb8 n LYS 43 Ca 0.15 -0.08 0.14 0.00 -2.02 0.00 0.00 58.31 56.50 3kb8 n LYS 43 Cb 0.49 -1.43 0.41 0.00 -0.02 0.00 0.00 35.03 34.48 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 3.27 1.15 2.00 0.72 0.00 -1.75 -2.51 103.07 105.95 3kb8 h GLY 44 Ca -0.25 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 46.81 3kb8 h GLY 44 CO 0.01 0.05 0.00 0.00 0.00 0.00 0.00 176.54 176.60 3kb8 h ALA 45 N 1.61 1.00 0.04 3.60 0.00 -1.86 -3.39 119.26 120.26 3kb8 h ALA 45 Ca 0.46 0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.40 3kb8 h ALA 45 Cb 0.86 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.60 3kb8 h ALA 45 CO -0.21 0.00 -0.36 0.52 0.00 0.00 0.00 179.25 179.19 3kb8 h MET 46 N 0.00 -0.53 -0.43 0.00 2.07 -1.71 -1.42 114.93 112.91 3kb8 h MET 46 Ca 0.00 0.04 0.03 0.00 -2.07 0.00 0.00 59.70 57.70 3kb8 h MET 46 Cb 0.44 0.12 -0.04 0.00 -1.87 0.00 0.00 31.60 30.26 3kb8 h MET 46 CO 0.00 -0.35 0.22 -1.35 1.07 0.00 0.00 176.91 176.50 3kb8 h PRO 47 N -0.55 0.42 -0.45 -0.22 0.11 -1.83 -1.41 132.00 128.07 3kb8 h PRO 47 Ca 0.05 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.11 3kb8 h PRO 47 Cb 0.61 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.61 3kb8 h PRO 47 CO -0.27 0.28 0.20 0.35 -0.21 0.00 0.00 178.00 178.35 3kb8 h PHE 48 N 0.43 0.66 -0.58 0.65 3.57 -1.79 -2.42 116.94 117.47 3kb8 h PHE 48 Ca 0.18 -0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.66 3kb8 h PHE 48 Cb 0.09 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.59 3kb8 h PHE 48 CO -0.10 0.55 0.37 1.98 -2.23 0.00 0.00 178.31 178.88 3kb8 h MET 49 N 0.58 0.72 -0.26 1.11 4.05 -1.00 0.34 114.93 120.48 3kb8 h MET 49 Ca 0.15 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.53 3kb8 h MET 49 Cb 0.15 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 30.78 3kb8 h MET 49 CO -0.02 0.48 0.17 0.00 0.23 0.00 0.00 176.91 177.77 3kb8 h ALA 50 N 1.23 0.33 0.01 0.39 0.00 -1.16 -0.69 119.26 119.37 3kb8 h ALA 50 Ca 0.22 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.91 3kb8 h ALA 50 Cb -0.03 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3kb8 h ALA 50 CO -0.07 -0.20 -0.91 -0.44 0.00 0.00 0.00 179.25 177.63 3kb8 h ASP 51 N 0.35 0.29 0.08 0.00 3.32 -1.03 -2.41 116.42 117.01 3kb8 h ASP 51 Ca 0.09 -0.24 -0.00 0.00 0.02 0.00 0.00 57.03 56.90 3kb8 h ASP 51 Cb -0.04 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.42 3kb8 h ASP 51 CO -0.02 1.05 -0.04 0.25 -1.72 0.00 0.00 179.24 178.77 3kb8 h LEU 52 N 0.12 -0.09 -1.22 1.55 5.85 -0.24 -2.85 115.31 118.42 3kb8 h LEU 52 Ca -0.05 -0.25 -0.07 0.00 0.84 0.00 0.00 57.88 58.35 3kb8 h LEU 52 Cb 1.55 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 42.59 3kb8 h LEU 52 CO 0.14 0.21 -0.22 -0.07 -0.34 0.00 0.00 178.44 178.15 3kb8 h LEU 53 N -0.38 0.25 -1.05 2.25 3.38 -1.18 -1.42 115.31 117.17 3kb8 h LEU 53 Ca -0.01 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3kb8 h LEU 53 Cb 0.33 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3kb8 h LEU 53 CO 0.02 0.49 0.00 0.07 0.09 0.00 0.00 178.44 179.11 3kb8 h LYS 54 N 0.24 0.00 -0.66 1.13 2.10 -1.36 -1.43 116.57 116.59 3kb8 h LYS 54 Ca 0.04 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.69 3kb8 h LYS 54 Cb 0.53 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.86 3kb8 h LYS 54 CO 0.04 0.00 0.00 0.54 -2.00 0.00 0.00 179.45 178.03 3kb8 n ARG 55 N -2.66 3.27 -3.76 0.07 5.12 -0.57 -4.79 116.66 113.34 3kb8 n ARG 55 Ca 0.01 -2.75 -0.36 0.00 -1.93 0.00 0.00 57.85 52.82 3kb8 n ARG 55 Cb 0.27 -1.72 -0.11 0.00 -1.16 0.00 0.00 32.46 29.74 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 -1.48 3.41 -1.35 0.55 2.01 -0.54 -3.67 115.64 114.57 3kb8 s THR 56 Ca 0.48 -2.33 -0.14 0.00 0.31 0.00 0.00 61.69 60.01 3kb8 s THR 56 Cb 0.29 -3.30 0.09 0.00 0.01 0.00 0.00 72.50 69.59 3kb8 s THR 56 CO 0.27 -0.75 1.92 -0.67 -0.69 0.00 0.00 174.62 174.70 3kb8 n ASP 57 N 4.26 4.60 -3.52 3.53 2.03 -1.26 -4.84 116.55 121.34 3kb8 n ASP 57 Ca 0.01 -2.94 -0.15 0.00 0.52 0.00 0.00 54.79 52.23 3kb8 n ASP 57 Cb 0.40 -1.63 -0.05 0.00 -0.72 0.00 0.00 41.12 39.12 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 2.59 0.00 0.21 5.18 -1.32 -1.26 -4.94 115.64 116.10 3kb8 s THR 58 Ca 0.46 0.00 -0.31 0.00 -1.21 0.00 0.00 61.69 60.63 3kb8 s THR 58 Cb 0.08 -1.00 -0.11 0.00 -1.51 0.00 0.00 72.50 69.96 3kb8 s THR 58 CO -0.01 0.00 1.61 -0.31 -2.21 0.00 0.00 174.62 173.70 3kb8 s TYR 59 N -1.61 2.96 0.21 9.09 2.02 -1.26 -4.99 117.35 123.77 3kb8 s TYR 59 Ca -0.07 0.59 -0.22 0.00 -0.37 0.00 0.00 57.07 57.00 3kb8 s TYR 59 Cb -0.00 -4.01 0.05 0.00 -0.40 0.00 0.00 41.96 37.60 3kb8 s TYR 59 CO 0.04 -3.68 0.64 -0.48 -1.57 0.00 0.00 175.55 170.50 3kb8 s LEU 60 N 0.78 -0.42 -0.01 -1.29 0.05 -1.26 -4.08 118.68 112.45 3kb8 s LEU 60 Ca 0.70 -0.26 0.06 0.00 0.05 0.00 0.00 54.13 54.69 3kb8 s LEU 60 Cb -0.46 2.62 -0.02 0.00 -2.05 0.00 0.00 46.19 46.28 3kb8 s LEU 60 CO 0.35 -1.12 -0.21 -1.61 -0.55 0.00 0.00 176.35 173.21 3kb8 s GLU 61 N -3.82 1.68 0.08 1.48 2.02 -0.75 -4.97 118.70 114.41 3kb8 s GLU 61 Ca 0.05 -0.76 0.02 0.00 0.02 0.00 0.00 54.97 54.30 3kb8 s GLU 61 Cb -0.03 -1.63 -0.04 0.00 0.10 0.00 0.00 34.13 32.53 3kb8 s GLU 61 CO -0.05 0.45 0.13 -1.64 0.02 0.00 0.00 175.26 174.17 3kb8 s MET 62 N -0.53 3.08 0.27 1.61 -1.94 -1.26 0.00 119.30 120.53 3kb8 s MET 62 Ca 0.08 -0.61 -0.17 0.00 -1.71 0.00 0.00 55.69 53.27 3kb8 s MET 62 Cb -0.08 -2.83 0.01 0.00 2.01 0.00 0.00 34.83 33.94 3kb8 s MET 62 CO -0.01 0.58 0.62 0.34 -0.01 0.00 0.00 175.02 176.53 3kb8 s ASP 63 N -2.48 -0.19 0.01 3.03 3.68 0.20 -4.89 116.67 116.03 3kb8 s ASP 63 Ca 0.31 -0.74 -0.08 0.00 2.13 0.00 0.00 52.55 54.17 3kb8 s ASP 63 Cb -0.12 0.67 0.00 0.00 -1.45 0.00 0.00 42.92 42.02 3kb8 s ASP 63 CO 0.24 -1.26 0.16 -0.36 0.13 0.00 0.00 175.17 174.08 3kb8 s PHE 64 N -3.96 0.03 0.19 -5.34 0.08 -1.26 -1.76 117.98 105.95 3kb8 s PHE 64 Ca 0.16 -0.14 0.09 0.00 0.12 0.00 0.00 56.93 57.15 3kb8 s PHE 64 Cb -0.04 -0.04 -0.04 0.00 -0.57 0.00 0.00 43.02 42.33 3kb8 s PHE 64 CO 0.08 -0.33 -0.17 -1.64 -0.10 0.00 0.00 175.22 173.06 3kb8 s MET 65 N -1.66 1.32 -0.02 0.44 -1.94 -0.72 -4.36 119.30 112.36 3kb8 s MET 65 Ca -0.12 -1.49 0.03 0.00 -1.71 0.00 0.00 55.69 52.39 3kb8 s MET 65 Cb -0.06 -1.31 0.00 0.00 2.01 0.00 0.00 34.83 35.47 3kb8 s MET 65 CO 0.01 0.25 -0.09 0.00 -0.01 0.00 0.00 175.02 175.17 3kb8 s ALA 66 N -2.34 0.87 0.09 3.03 0.00 -0.86 -1.70 121.76 120.85 3kb8 s ALA 66 Ca 0.19 -0.37 -0.03 0.00 0.00 0.00 0.00 51.96 51.75 3kb8 s ALA 66 Cb -0.04 -0.30 -0.03 0.00 0.00 0.00 0.00 23.12 22.75 3kb8 s ALA 66 CO 0.07 0.16 0.05 0.14 0.00 0.00 0.00 175.76 176.18 3kb8 s VAL 67 N 0.08 0.16 0.05 0.00 -7.23 -1.26 0.47 120.40 112.69 3kb8 s VAL 67 Ca -0.01 -1.72 0.00 0.00 -1.81 0.00 0.00 61.98 58.44 3kb8 s VAL 67 Cb -0.07 -1.66 -0.04 0.00 0.56 0.00 0.00 36.38 35.17 3kb8 s VAL 67 CO 0.00 -0.75 -0.04 -0.94 -0.31 0.00 0.00 175.10 173.06 3kb8 s SER 68 N -2.95 0.62 0.51 4.85 1.04 -0.02 -4.85 113.70 112.91 3kb8 s SER 68 Ca 0.12 -0.87 -0.21 0.00 0.48 0.00 0.00 55.95 55.48 3kb8 s SER 68 Cb 0.07 0.14 -0.06 0.00 0.10 0.00 0.00 66.02 66.27 3kb8 s SER 68 CO -0.06 -0.48 1.14 -0.55 0.98 0.00 0.00 173.24 174.27 3kb8 s SER 69 N -2.56 5.90 -0.20 7.02 0.15 -1.26 -0.30 113.70 122.44 3kb8 s SER 69 Ca 0.02 2.22 0.15 0.00 0.70 0.00 0.00 55.95 59.04 3kb8 s SER 69 Cb 0.02 -2.59 0.69 0.00 -1.71 0.00 0.00 66.02 62.44 3kb8 s SER 69 CO -0.06 -1.10 1.60 -1.22 1.20 0.00 0.00 173.24 173.66 3kb8 n TYR 70 N -1.00 1.56 0.00 3.44 4.01 -1.26 -4.75 117.16 119.16 3kb8 n TYR 70 Ca 0.10 -0.78 0.00 0.00 -0.16 0.00 0.00 57.90 57.06 3kb8 n TYR 70 Cb 0.50 -0.41 0.00 0.00 -0.31 0.00 0.00 39.34 39.12 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 0.17 1.46 0.22 2.72 0.00 -1.26 -4.25 105.19 104.26 3kb8 n GLY 71 Ca 0.25 -0.65 -0.05 0.00 0.00 0.00 0.00 46.02 45.57 3kb8 n GLY 71 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3kb8 h HIS 72 N 0.00 0.51 0.00 1.61 3.86 -1.98 -2.89 115.15 116.26 3kb8 h HIS 72 Ca 0.00 -0.13 -0.01 0.00 -1.16 0.00 0.00 60.37 59.07 3kb8 h HIS 72 Cb 0.00 -0.11 -0.00 0.00 1.06 0.00 0.00 27.41 28.36 3kb8 h HIS 72 CO 0.00 0.75 -0.03 1.03 0.86 0.00 0.00 177.93 180.53 3kb8 h SER 73 N 0.37 0.00 0.00 2.45 0.87 -1.90 -1.57 113.55 113.77 3kb8 h SER 73 Ca 0.04 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.54 3kb8 h SER 73 Cb 0.82 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.78 3kb8 h SER 73 CO 0.07 0.03 -0.23 0.74 -0.53 0.00 0.00 176.83 176.91 3kb8 h THR 74 N 0.00 1.56 -0.84 2.23 2.02 -1.55 -0.25 112.91 116.09 3kb8 h THR 74 Ca -0.00 -1.96 -0.73 0.00 0.77 0.00 0.00 66.41 64.48 3kb8 h THR 74 Cb 0.26 2.80 -0.10 0.00 -1.74 0.00 0.00 68.15 69.37 3kb8 h THR 74 CO 0.00 0.53 2.58 0.52 0.37 0.00 0.00 175.52 179.53 3kb8 n VAL 75 N -4.52 4.26 0.00 3.16 0.31 -0.60 -1.61 118.33 119.32 3kb8 n VAL 75 Ca -0.10 -3.83 0.00 0.00 -0.01 0.00 0.00 64.34 60.40 3kb8 n VAL 75 Cb 0.50 -2.41 0.00 0.00 -0.91 0.00 0.00 33.84 31.03 3kb8 n VAL 75 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3kb8 n SER 76 N 4.07 0.00 -0.00 4.52 2.88 -1.14 -4.83 113.62 119.12 3kb8 n SER 76 Ca 0.51 0.00 0.01 0.00 -1.33 0.00 0.00 58.87 58.06 3kb8 n SER 76 Cb 0.34 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.78 3kb8 n SER 76 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3kb8 n THR 77 N 0.00 0.00 -0.03 2.46 -2.24 -0.15 -5.01 114.28 109.31 3kb8 n THR 77 Ca 0.00 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 3kb8 n THR 77 Cb 0.00 0.59 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 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 2.03 1.09 3.65 3.38 0.00 -0.64 -4.64 105.19 110.07 3kb8 n GLY 78 Ca -0.00 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.54 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 1.86 -4.16 1.61 2.13 -1.21 -4.25 120.64 114.63 3kb8 n GLU 79 Ca 0.00 0.67 -0.13 0.00 0.66 0.00 0.00 57.16 58.37 3kb8 n GLU 79 Cb 0.00 -2.41 -0.11 0.00 0.27 0.00 0.00 31.44 29.19 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 1.22 0.79 0.02 6.31 -7.23 -1.26 -3.47 120.40 116.77 3kb8 s VAL 80 Ca 0.82 -1.70 -0.30 0.00 -1.81 0.00 0.00 61.98 58.99 3kb8 s VAL 80 Cb -0.76 -1.40 -0.04 0.00 0.56 0.00 0.00 36.38 34.73 3kb8 s VAL 80 CO 0.42 -0.68 1.12 -0.75 -0.31 0.00 0.00 175.10 174.91 3kb8 s LYS 81 N -3.09 4.47 -0.31 4.82 2.20 0.58 -4.86 119.74 123.55 3kb8 s LYS 81 Ca 0.06 1.63 -0.28 0.00 -0.36 0.00 0.00 55.97 57.02 3kb8 s LYS 81 Cb -0.00 -3.42 0.01 0.00 -1.51 0.00 0.00 37.83 32.91 3kb8 s LYS 81 CO -0.02 -0.21 1.00 0.42 -0.36 0.00 0.00 175.35 176.18 3kb8 s ILE 82 N 1.20 4.59 -0.14 5.43 1.01 -1.26 -0.84 121.20 131.20 3kb8 s ILE 82 Ca 0.56 1.60 -0.07 0.00 0.00 0.00 0.00 60.65 62.73 3kb8 s ILE 82 Cb -0.26 -4.34 -0.25 0.00 0.01 0.00 0.00 42.46 37.62 3kb8 s ILE 82 CO 0.28 -0.41 0.30 0.18 0.00 0.00 0.00 174.94 175.29 3kb8 n LEU 83 N 6.67 2.60 -3.75 2.97 4.77 0.18 -4.84 117.00 125.60 3kb8 n LEU 83 Ca 0.10 0.20 -0.21 0.00 -0.03 0.00 0.00 56.01 56.07 3kb8 n LEU 83 Cb 0.47 -1.09 -0.17 0.00 -2.33 0.00 0.00 43.42 40.30 3kb8 n LEU 83 CO 0.57 0.81 -0.37 -0.75 -1.33 0.00 0.00 177.39 176.32 3kb8 s LYS 84 N -2.54 0.37 0.71 3.23 2.20 -0.57 -4.93 119.74 118.20 3kb8 s LYS 84 Ca -0.24 0.17 -0.04 0.00 -0.36 0.00 0.00 55.97 55.50 3kb8 s LYS 84 Cb 0.07 -0.76 0.09 0.00 -1.51 0.00 0.00 37.83 35.73 3kb8 s LYS 84 CO 0.74 -0.28 0.99 0.34 -0.36 0.00 0.00 175.35 176.79 3kb8 s ASP 85 N 1.84 4.56 0.56 1.43 -1.08 -1.26 -2.03 116.67 120.68 3kb8 s ASP 85 Ca 0.02 0.07 -0.19 0.00 -0.52 0.00 0.00 52.55 51.93 3kb8 s ASP 85 Cb -0.12 -0.61 -0.05 0.00 -1.46 0.00 0.00 42.92 40.68 3kb8 s ASP 85 CO -0.04 -1.72 1.19 -0.76 0.52 0.00 0.00 175.17 174.36 3kb8 s LEU 86 N -5.19 3.73 0.22 -1.34 1.43 -1.26 -4.79 118.68 111.48 3kb8 s LEU 86 Ca 0.63 2.34 0.25 0.00 -1.03 0.00 0.00 54.13 56.32 3kb8 s LEU 86 Cb -0.08 -4.55 0.90 0.00 0.03 0.00 0.00 46.19 42.49 3kb8 s LEU 86 CO 0.44 -1.42 1.74 0.47 0.23 0.00 0.00 176.35 177.82 3kb8 n ASP 87 N -1.38 0.68 -4.17 2.29 8.00 -1.26 -4.83 116.55 115.88 3kb8 n ASP 87 Ca 0.12 0.61 -0.11 0.00 0.71 0.00 0.00 54.79 56.13 3kb8 n ASP 87 Cb 0.50 -0.78 -0.10 0.00 -0.02 0.00 0.00 41.12 40.72 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 -3.19 0.36 0.54 -3.53 -1.32 -1.26 -5.14 115.64 102.09 3kb8 s THR 88 Ca 0.08 -1.92 -0.20 0.00 -1.21 0.00 0.00 61.69 58.44 3kb8 s THR 88 Cb 0.11 -1.95 -0.05 0.00 -1.51 0.00 0.00 72.50 69.09 3kb8 s THR 88 CO 0.49 -0.59 1.17 -0.94 -2.21 0.00 0.00 174.62 172.54 3kb8 s SER 89 N -3.07 5.63 -0.03 8.08 1.04 -1.26 -4.98 113.70 119.12 3kb8 s SER 89 Ca 0.20 2.29 0.11 0.00 0.48 0.00 0.00 55.95 59.03 3kb8 s SER 89 Cb 0.07 -2.59 -0.23 0.00 0.10 0.00 0.00 66.02 63.37 3kb8 s SER 89 CO -0.00 -1.28 0.73 0.58 0.98 0.00 0.00 173.24 174.25 3kb8 h VAL 90 N 1.25 0.95 -1.77 5.02 2.07 -1.96 -3.46 116.25 118.36 3kb8 h VAL 90 Ca -0.50 -2.78 -0.67 0.00 0.82 0.00 0.00 66.70 63.57 3kb8 h VAL 90 Cb 1.27 2.48 0.05 0.00 -1.52 0.00 0.00 31.29 33.57 3kb8 h VAL 90 CO 0.57 0.57 0.61 1.21 0.02 0.00 0.00 177.57 180.55 3kb8 n GLU 91 N -3.11 1.36 -0.81 1.57 2.13 -1.07 -1.05 120.64 119.65 3kb8 n GLU 91 Ca -0.15 0.49 0.00 0.00 0.66 0.00 0.00 57.16 58.16 3kb8 n GLU 91 Cb 1.04 -2.17 0.00 0.00 0.27 0.00 0.00 31.44 30.58 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 3.01 0.55 3.90 8.31 0.00 0.77 -4.90 105.19 116.84 3kb8 n GLY 92 Ca 0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.46 3.62 -0.26 1.61 1.81 -0.22 -4.36 118.95 120.70 3kb8 s ARG 93 Ca 0.00 -0.08 -0.18 0.00 -1.72 0.00 0.00 55.73 53.75 3kb8 s ARG 93 Cb 0.00 -2.77 -0.03 0.00 -0.45 0.00 0.00 34.95 31.70 3kb8 s ARG 93 CO 0.00 0.37 0.51 -0.51 -0.68 0.00 0.00 175.30 175.00 3kb8 s ASP 94 N -2.76 6.43 -0.14 0.23 1.01 -1.26 -0.12 116.67 120.06 3kb8 s ASP 94 Ca 0.42 0.52 -0.07 0.00 0.71 0.00 0.00 52.55 54.12 3kb8 s ASP 94 Cb -0.11 -2.28 -0.04 0.00 1.01 0.00 0.00 42.92 41.50 3kb8 s ASP 94 CO 0.26 -0.28 0.13 -0.63 0.21 0.00 0.00 175.17 174.86 3kb8 s ILE 95 N 2.29 5.43 -0.23 0.77 -1.09 0.87 -0.89 121.20 128.34 3kb8 s ILE 95 Ca 0.21 0.18 -0.00 0.00 -2.23 0.00 0.00 60.65 58.81 3kb8 s ILE 95 Cb -0.16 -3.39 0.06 0.00 -1.58 0.00 0.00 42.46 37.40 3kb8 s ILE 95 CO 0.09 0.58 -0.02 -0.22 -1.23 0.00 0.00 174.94 174.14 3kb8 s LEU 96 N -0.70 2.20 -0.09 2.97 2.96 -0.54 -1.41 118.68 124.08 3kb8 s LEU 96 Ca 0.13 -1.13 -0.26 0.00 -0.22 0.00 0.00 54.13 52.66 3kb8 s LEU 96 Cb -0.12 -1.00 -0.03 0.00 0.50 0.00 0.00 46.19 45.54 3kb8 s LEU 96 CO 0.03 -0.27 0.81 -0.63 -1.32 0.00 0.00 176.35 174.96 3kb8 s ILE 97 N 1.53 4.95 -0.25 6.68 1.01 0.20 -0.96 121.20 134.36 3kb8 s ILE 97 Ca -0.03 1.65 -0.07 0.00 0.00 0.00 0.00 60.65 62.20 3kb8 s ILE 97 Cb -0.18 -4.14 -0.03 0.00 0.01 0.00 0.00 42.46 38.13 3kb8 s ILE 97 CO -0.08 0.15 0.06 -0.69 0.00 0.00 0.00 174.94 174.38 3kb8 s VAL 98 N 1.32 4.22 0.20 2.92 1.01 0.64 -1.04 120.40 129.67 3kb8 s VAL 98 Ca 0.41 -0.20 0.09 0.00 0.00 0.00 0.00 61.98 62.27 3kb8 s VAL 98 Cb -0.18 -2.97 -0.05 0.00 0.00 0.00 0.00 36.38 33.18 3kb8 s VAL 98 CO 0.18 0.35 -0.17 -0.70 0.00 0.00 0.00 175.10 174.76 3kb8 s GLU 99 N 1.59 1.37 -0.15 2.72 2.56 -0.24 -4.05 118.70 122.49 3kb8 s GLU 99 Ca 0.06 -1.56 -0.14 0.00 0.00 0.00 0.00 54.97 53.34 3kb8 s GLU 99 Cb -0.15 -1.30 -0.24 0.00 2.00 0.00 0.00 34.13 34.44 3kb8 s GLU 99 CO 0.03 0.24 0.35 0.38 -0.56 0.00 0.00 175.26 175.70 3kb8 h ASP 100 N 2.75 0.27 -4.45 -1.70 2.03 -1.87 -1.98 116.42 111.47 3kb8 h ASP 100 Ca -0.40 -0.78 -0.13 0.00 -0.73 0.00 0.00 57.03 54.99 3kb8 h ASP 100 Cb 1.22 -0.09 -0.22 0.00 -0.83 0.00 0.00 39.33 39.41 3kb8 h ASP 100 CO 0.58 1.68 -0.30 -0.51 -1.03 0.00 0.00 179.24 179.66 3kb8 s ILE 101 N -2.47 0.03 -0.20 4.15 2.07 -1.25 -0.76 121.20 122.76 3kb8 s ILE 101 Ca -0.24 -0.25 0.01 0.00 -1.41 0.00 0.00 60.65 58.76 3kb8 s ILE 101 Cb 0.06 -0.54 0.03 0.00 0.13 0.00 0.00 42.46 42.14 3kb8 s ILE 101 CO 0.71 -0.14 -0.17 -0.63 -1.91 0.00 0.00 174.94 172.80 3kb8 s ILE 102 N -0.61 2.00 0.00 2.00 1.01 -0.92 -4.99 121.20 119.68 3kb8 s ILE 102 Ca -0.07 -1.06 0.00 0.00 0.00 0.00 0.00 60.65 59.51 3kb8 s ILE 102 Cb -0.04 -1.90 0.00 0.00 0.01 0.00 0.00 42.46 40.53 3kb8 s ILE 102 CO 0.02 0.38 0.00 -0.67 0.00 0.00 0.00 174.94 174.67 3kb8 n ASP 103 N 4.60 0.00 0.09 3.58 2.03 -1.26 -0.48 116.55 125.10 3kb8 n ASP 103 Ca -0.19 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.11 3kb8 n ASP 103 Cb 0.48 0.00 0.25 0.00 -0.72 0.00 0.00 41.12 41.13 3kb8 n ASP 103 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 3kb8 h SER 104 N 0.00 0.28 0.00 1.67 4.64 -1.86 -2.47 113.55 115.81 3kb8 h SER 104 Ca 0.00 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 3kb8 h SER 104 Cb 0.00 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 3kb8 h SER 104 CO 0.00 0.61 0.00 0.61 -0.87 0.00 0.00 176.83 177.18 3kb8 n GLY 105 N -0.33 1.50 0.50 -0.77 0.00 -1.26 -0.56 105.19 104.27 3kb8 n GLY 105 Ca -0.01 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.08 -1.01 0.99 3.38 -1.92 0.55 115.31 116.22 3kb8 h LEU 106 Ca 0.00 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3kb8 h LEU 106 Cb 0.00 0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 3kb8 h LEU 106 CO 0.00 -0.76 0.40 0.74 0.09 0.00 0.00 178.44 178.91 3kb8 h THR 107 N -1.29 1.24 -0.35 0.22 2.02 -1.86 -1.42 112.91 111.47 3kb8 h THR 107 Ca -0.13 -0.63 -0.17 0.00 0.77 0.00 0.00 66.41 66.25 3kb8 h THR 107 Cb 0.98 0.22 -0.00 0.00 -1.74 0.00 0.00 68.15 67.60 3kb8 h THR 107 CO 0.21 0.27 -0.45 0.25 0.37 0.00 0.00 175.52 176.17 3kb8 h LEU 108 N 1.09 1.00 -0.49 2.58 5.85 -1.87 -0.76 115.31 122.71 3kb8 h LEU 108 Ca 0.27 -0.49 0.05 0.00 0.84 0.00 0.00 57.88 58.55 3kb8 h LEU 108 Cb 0.07 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 40.77 3kb8 h LEU 108 CO -0.04 1.30 0.23 -1.28 -0.34 0.00 0.00 178.44 178.31 3kb8 h SER 109 N 0.73 0.32 -0.53 1.25 0.87 -0.61 0.17 113.55 115.74 3kb8 h SER 109 Ca 0.04 0.03 0.03 0.00 -1.23 0.00 0.00 61.79 60.66 3kb8 h SER 109 Cb 1.06 -0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 62.96 3kb8 h SER 109 CO 0.11 0.22 0.31 0.22 -0.53 0.00 0.00 176.83 177.16 3kb8 h TYR 110 N 0.45 0.58 -0.41 2.24 3.20 -0.92 -0.99 116.97 121.13 3kb8 h TYR 110 Ca 0.22 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 62.02 3kb8 h TYR 110 Cb 0.16 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.23 3kb8 h TYR 110 CO -0.11 0.33 -0.10 -0.07 -1.64 0.00 0.00 178.16 176.56 3kb8 h LEU 111 N 0.62 0.79 -0.33 2.82 3.38 -0.84 -0.78 115.31 120.97 3kb8 h LEU 111 Ca 0.22 -0.36 0.05 0.00 0.09 0.00 0.00 57.88 57.88 3kb8 h LEU 111 Cb 0.04 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 40.53 3kb8 h LEU 111 CO -0.11 0.97 0.02 0.58 0.09 0.00 0.00 178.44 180.00 3kb8 h VAL 112 N 0.61 0.79 0.00 1.22 2.07 -0.71 -0.53 116.25 119.69 3kb8 h VAL 112 Ca 0.10 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.56 3kb8 h VAL 112 Cb 0.62 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 31.04 3kb8 h VAL 112 CO 0.04 0.02 -0.08 0.44 0.02 0.00 0.00 177.57 178.01 3kb8 h ASP 113 N 0.12 0.00 -0.36 0.57 3.32 -1.13 -2.26 116.42 116.68 3kb8 h ASP 113 Ca 0.16 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.15 3kb8 h ASP 113 Cb 0.20 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 3kb8 h ASP 113 CO -0.25 0.08 -0.00 0.25 -1.72 0.00 0.00 179.24 177.61 3kb8 h LEU 114 N 0.00 0.63 -1.15 1.55 5.85 -0.42 -0.61 115.31 121.16 3kb8 h LEU 114 Ca -0.00 -0.31 -0.08 0.00 0.84 0.00 0.00 57.88 58.33 3kb8 h LEU 114 Cb 0.82 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 3kb8 h LEU 114 CO 0.01 0.79 -0.31 -0.26 -0.34 0.00 0.00 178.44 178.33 3kb8 h PHE 115 N 0.45 0.22 -0.17 1.25 0.04 -0.62 0.29 116.94 118.40 3kb8 h PHE 115 Ca 0.10 -0.05 -0.19 0.00 2.80 0.00 0.00 57.97 60.63 3kb8 h PHE 115 Cb 0.47 -0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.56 3kb8 h PHE 115 CO 0.04 0.49 -0.67 0.87 -0.60 0.00 0.00 178.31 178.43 3kb8 h LYS 116 N 0.17 0.68 -0.98 1.51 1.57 -1.35 -1.58 116.57 116.58 3kb8 h LYS 116 Ca 0.02 -0.50 0.01 0.00 -1.87 0.00 0.00 60.65 58.31 3kb8 h LYS 116 Cb 0.64 0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.99 3kb8 h LYS 116 CO 0.05 1.12 0.65 -0.92 -0.57 0.00 0.00 179.45 179.78 3kb8 h TYR 117 N 0.49 1.24 0.00 -1.35 3.20 -0.35 0.34 116.97 120.54 3kb8 h TYR 117 Ca -0.02 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.88 3kb8 h TYR 117 Cb 1.27 -0.42 0.00 0.00 1.54 0.00 0.00 36.73 39.12 3kb8 h TYR 117 CO 0.07 0.78 0.00 0.54 -1.64 0.00 0.00 178.16 177.90 3kb8 n ARG 118 N -4.39 0.74 -3.21 1.82 1.74 0.02 -4.87 116.66 108.52 3kb8 n ARG 118 Ca 0.12 0.00 -0.15 0.00 -0.77 0.00 0.00 57.85 57.04 3kb8 n ARG 118 Cb 0.01 -1.04 0.06 0.00 -1.02 0.00 0.00 32.46 30.47 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 -0.43 -5.52 -2.14 5.56 5.02 0.11 -2.60 118.16 118.16 3kb8 n LYS 119 Ca 0.00 0.63 -0.38 0.00 -2.02 0.00 0.00 58.31 56.54 3kb8 n LYS 119 Cb 0.02 -5.04 -0.00 0.00 -0.02 0.00 0.00 35.03 29.98 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 -3.26 3.08 0.23 7.82 0.00 -0.63 -0.16 121.76 128.84 3kb8 s ALA 120 Ca 0.23 1.09 -0.04 0.00 0.00 0.00 0.00 51.96 53.24 3kb8 s ALA 120 Cb -0.10 -3.44 0.23 0.00 0.00 0.00 0.00 23.12 19.81 3kb8 s ALA 120 CO 0.55 -0.78 1.71 -0.22 0.00 0.00 0.00 175.76 177.02 3kb8 h LYS 121 N 2.30 0.87 -2.37 0.00 3.64 -0.72 -3.44 116.57 116.85 3kb8 h LYS 121 Ca -0.49 -0.26 -0.00 0.00 -1.27 0.00 0.00 60.65 58.62 3kb8 h LYS 121 Cb 1.25 -0.09 -0.16 0.00 -0.41 0.00 0.00 32.23 32.82 3kb8 h LYS 121 CO 0.61 0.89 0.28 -1.54 -2.27 0.00 0.00 179.45 177.43 3kb8 s SER 122 N -6.64 -0.55 -0.05 4.20 1.04 -1.22 -4.99 113.70 105.49 3kb8 s SER 122 Ca -0.10 0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.64 3kb8 s SER 122 Cb 0.14 0.51 0.02 0.00 0.10 0.00 0.00 66.02 66.80 3kb8 s SER 122 CO 0.83 -0.72 -0.04 -0.69 0.98 0.00 0.00 173.24 173.60 3kb8 s VAL 123 N -2.44 0.54 0.13 5.02 1.01 -1.26 -0.09 120.40 123.31 3kb8 s VAL 123 Ca -0.03 -0.09 0.04 0.00 0.00 0.00 0.00 61.98 61.91 3kb8 s VAL 123 Cb -0.01 -0.60 -0.04 0.00 0.00 0.00 0.00 36.38 35.74 3kb8 s VAL 123 CO -0.03 0.24 -0.10 -0.54 0.00 0.00 0.00 175.10 174.68 3kb8 s LYS 124 N 1.19 1.01 -0.05 2.72 1.02 -0.50 -4.99 119.74 120.14 3kb8 s LYS 124 Ca -0.07 -1.38 0.06 0.00 0.02 0.00 0.00 55.97 54.61 3kb8 s LYS 124 Cb -0.14 -0.60 -0.01 0.00 -0.52 0.00 0.00 37.83 36.56 3kb8 s LYS 124 CO -0.02 0.08 -0.23 0.42 -0.92 0.00 0.00 175.35 174.69 3kb8 s ILE 125 N -3.09 1.85 -0.15 2.17 1.01 -1.26 -0.63 121.20 121.09 3kb8 s ILE 125 Ca 0.14 -0.96 0.01 0.00 0.00 0.00 0.00 60.65 59.85 3kb8 s ILE 125 Cb 0.01 -1.56 0.02 0.00 0.01 0.00 0.00 42.46 40.93 3kb8 s ILE 125 CO 0.00 0.52 -0.19 0.54 0.00 0.00 0.00 174.94 175.81 3kb8 s VAL 126 N -0.15 1.92 0.03 2.92 0.11 -0.20 -1.10 120.40 123.93 3kb8 s VAL 126 Ca -0.02 -0.87 0.08 0.00 -2.93 0.00 0.00 61.98 58.23 3kb8 s VAL 126 Cb -0.13 -1.73 -0.02 0.00 -1.53 0.00 0.00 36.38 32.97 3kb8 s VAL 126 CO 0.03 0.52 -0.22 0.28 -3.33 0.00 0.00 175.10 172.37 3kb8 s THR 127 N 1.12 1.79 0.05 5.04 -1.32 -0.57 -1.08 115.64 120.67 3kb8 s THR 127 Ca -0.00 -1.19 -0.20 0.00 -1.21 0.00 0.00 61.69 59.09 3kb8 s THR 127 Cb -0.14 -1.54 -0.13 0.00 -1.51 0.00 0.00 72.50 69.18 3kb8 s THR 127 CO -0.08 0.30 1.37 0.25 -2.21 0.00 0.00 174.62 174.26 3kb8 h LEU 128 N 5.00 0.40 -8.62 9.08 5.85 -1.35 -2.02 115.31 123.65 3kb8 h LEU 128 Ca -0.43 -0.45 -0.61 0.00 0.84 0.00 0.00 57.88 57.22 3kb8 h LEU 128 Cb 1.15 -0.11 -0.25 0.00 0.37 0.00 0.00 40.66 41.81 3kb8 h LEU 128 CO 0.45 0.77 -0.85 -0.76 -0.34 0.00 0.00 178.44 177.71 3kb8 s LEU 129 N -9.15 2.19 -0.02 2.25 1.43 0.06 -0.63 118.68 114.80 3kb8 s LEU 129 Ca -0.14 -0.56 0.04 0.00 -1.03 0.00 0.00 54.13 52.44 3kb8 s LEU 129 Cb 0.06 -1.05 -0.01 0.00 0.03 0.00 0.00 46.19 45.22 3kb8 s LEU 129 CO 0.75 0.18 -0.14 -0.62 0.23 0.00 0.00 176.35 176.75 3kb8 s ASP 130 N -1.30 1.74 -0.57 2.29 2.15 0.06 -2.17 116.67 118.87 3kb8 s ASP 130 Ca 0.09 -0.27 0.05 0.00 0.43 0.00 0.00 52.55 52.84 3kb8 s ASP 130 Cb -0.09 -0.29 0.17 0.00 -0.30 0.00 0.00 42.92 42.42 3kb8 s ASP 130 CO 0.02 0.16 0.44 1.17 -0.17 0.00 0.00 175.17 176.79 3kb8 n LYS 131 N 2.88 1.11 0.21 4.34 4.81 0.36 0.16 118.16 132.03 3kb8 n LYS 131 Ca -0.16 -3.89 0.06 0.00 -0.87 0.00 0.00 58.31 53.45 3kb8 n LYS 131 Cb 0.54 -1.99 0.55 0.00 0.02 0.00 0.00 35.03 34.15 3kb8 n LYS 131 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 3kb8 h PRO 132 N 5.43 0.07 0.00 1.64 0.11 -1.81 -0.88 132.00 136.56 3kb8 h PRO 132 Ca 0.20 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.30 3kb8 h PRO 132 Cb 0.82 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.92 3kb8 h PRO 132 CO 0.56 0.13 0.00 0.25 -0.21 0.00 0.00 178.00 178.74 3kb8 n THR 133 N -4.43 1.13 0.89 -1.15 -2.24 -1.26 -2.27 114.28 104.94 3kb8 n THR 133 Ca -0.02 0.28 0.11 0.00 -2.27 0.00 0.00 64.05 62.15 3kb8 n THR 133 Cb 0.16 -1.12 0.11 0.00 -2.10 0.00 0.00 70.33 67.38 3kb8 n THR 133 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kb8 n GLY 134 N -0.51 -1.19 3.61 3.38 0.00 -0.33 -5.00 105.19 105.14 3kb8 n GLY 134 Ca 0.03 -0.42 -0.50 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.62 1.37 -0.02 1.61 5.12 -0.93 -3.72 116.66 118.47 3kb8 n ARG 135 Ca 0.04 0.49 0.03 0.00 -1.93 0.00 0.00 57.85 56.49 3kb8 n ARG 135 Cb 0.36 -2.15 0.04 0.00 -1.16 0.00 0.00 32.46 29.55 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 2.62 0.61 -3.66 5.56 4.76 0.27 -4.95 118.16 123.37 3kb8 n LYS 136 Ca 0.18 -1.12 -0.11 0.00 -2.87 0.00 0.00 58.31 54.39 3kb8 n LYS 136 Cb 0.22 -1.14 -0.05 0.00 -1.84 0.00 0.00 35.03 32.22 3kb8 n LYS 136 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 3kb8 s VAL 137 N -0.67 0.07 -0.58 -0.18 -7.23 -1.22 -4.98 120.40 105.62 3kb8 s VAL 137 Ca 0.10 -0.60 -0.28 0.00 -1.81 0.00 0.00 61.98 59.38 3kb8 s VAL 137 Cb 0.06 -1.13 0.03 0.00 0.56 0.00 0.00 36.38 35.90 3kb8 s VAL 137 CO 0.09 -0.33 1.19 -0.62 -0.31 0.00 0.00 175.10 175.11 3kb8 s ASP 138 N -2.64 6.45 -0.14 4.85 2.15 -1.26 -4.89 116.67 121.18 3kb8 s ASP 138 Ca 0.01 0.10 -0.04 0.00 0.43 0.00 0.00 52.55 53.06 3kb8 s ASP 138 Cb 0.02 -2.55 0.07 0.00 -0.30 0.00 0.00 42.92 40.15 3kb8 s ASP 138 CO -0.10 -1.47 0.20 -0.22 -0.17 0.00 0.00 175.17 173.41 3kb8 s LEU 139 N 4.92 -0.12 -0.12 -1.34 2.96 -1.26 -5.08 118.68 118.64 3kb8 s LEU 139 Ca 0.43 0.16 -0.03 0.00 -0.22 0.00 0.00 54.13 54.47 3kb8 s LEU 139 Cb -0.08 0.39 -0.03 0.00 0.50 0.00 0.00 46.19 46.97 3kb8 s LEU 139 CO 0.25 -0.28 -0.02 -0.54 -1.32 0.00 0.00 176.35 174.44 3kb8 s LYS 140 N 2.33 3.35 0.28 1.98 1.02 -1.26 -5.03 119.74 122.41 3kb8 s LYS 140 Ca 0.04 -0.48 -0.28 0.00 0.02 0.00 0.00 55.97 55.28 3kb8 s LYS 140 Cb -0.13 -2.85 -0.09 0.00 -0.52 0.00 0.00 37.83 34.23 3kb8 s LYS 140 CO -0.09 0.44 0.93 0.00 -0.92 0.00 0.00 175.35 175.71 3kb8 s ALA 141 N -0.18 3.28 0.13 5.17 0.00 -1.26 -4.86 121.76 124.05 3kb8 s ALA 141 Ca 0.04 0.55 0.08 0.00 0.00 0.00 0.00 51.96 52.62 3kb8 s ALA 141 Cb -0.13 -3.17 -0.13 0.00 0.00 0.00 0.00 23.12 19.69 3kb8 s ALA 141 CO 0.02 0.20 1.33 -0.44 0.00 0.00 0.00 175.76 176.87 3kb8 h ASP 142 N 3.65 0.00 -3.87 0.00 3.32 -1.50 -3.44 116.42 114.59 3kb8 h ASP 142 Ca -0.46 0.00 -0.40 0.00 0.02 0.00 0.00 57.03 56.19 3kb8 h ASP 142 Cb 1.20 0.00 -0.30 0.00 0.22 0.00 0.00 39.33 40.44 3kb8 h ASP 142 CO 0.66 0.94 -0.78 -0.31 -1.72 0.00 0.00 179.24 178.03 3kb8 s TYR 143 N -2.83 0.81 -0.03 4.55 2.02 -0.44 -5.02 117.35 116.42 3kb8 s TYR 143 Ca 0.01 -0.18 0.01 0.00 -0.37 0.00 0.00 57.07 56.54 3kb8 s TYR 143 Cb 0.10 -0.57 0.01 0.00 -0.40 0.00 0.00 41.96 41.10 3kb8 s TYR 143 CO 0.81 -0.07 -0.04 0.08 -1.57 0.00 0.00 175.55 174.76 3kb8 s VAL 144 N 0.09 0.46 -0.10 0.71 1.01 -1.26 -1.51 120.40 119.79 3kb8 s VAL 144 Ca -0.01 -0.13 -0.02 0.00 0.00 0.00 0.00 61.98 61.82 3kb8 s VAL 144 Cb -0.07 -0.46 -0.01 0.00 0.00 0.00 0.00 36.38 35.84 3kb8 s VAL 144 CO 0.00 0.18 0.03 1.23 0.00 0.00 0.00 175.10 176.55 3kb8 h GLY 145 N 6.79 0.00 -5.91 4.51 0.00 -1.29 -3.48 103.07 103.69 3kb8 h GLY 145 Ca -0.36 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 46.74 3kb8 h GLY 145 CO 0.48 0.00 -0.60 -1.36 0.00 0.00 0.00 176.54 175.07 3kb8 s PHE 146 N -1.61 -0.14 -0.31 5.60 0.08 0.20 -5.02 117.98 116.78 3kb8 s PHE 146 Ca -0.01 0.39 -0.18 0.00 0.12 0.00 0.00 56.93 57.25 3kb8 s PHE 146 Cb -0.00 -0.03 -0.01 0.00 -0.57 0.00 0.00 43.02 42.40 3kb8 s PHE 146 CO 0.04 -0.12 0.52 0.99 -0.10 0.00 0.00 175.22 176.56 3kb8 s THR 147 N 0.67 5.03 0.12 0.64 2.01 -1.26 -0.76 115.64 122.09 3kb8 s THR 147 Ca -0.05 0.58 0.07 0.00 0.31 0.00 0.00 61.69 62.60 3kb8 s THR 147 Cb -0.07 -3.91 -0.04 0.00 0.01 0.00 0.00 72.50 68.49 3kb8 s THR 147 CO -0.03 -0.09 -0.06 0.54 -0.69 0.00 0.00 174.62 174.28 3kb8 s VAL 148 N 2.38 3.54 0.06 3.82 0.11 0.12 -4.94 120.40 125.50 3kb8 s VAL 148 Ca 0.20 -1.26 0.12 0.00 -2.93 0.00 0.00 61.98 58.11 3kb8 s VAL 148 Cb -0.15 -2.69 -0.04 0.00 -1.53 0.00 0.00 36.38 31.97 3kb8 s VAL 148 CO 0.12 0.07 1.45 1.55 -3.33 0.00 0.00 175.10 174.95 3kb8 h PRO 149 N 3.39 0.00 -4.01 1.54 0.13 -1.98 -3.39 132.00 127.68 3kb8 h PRO 149 Ca -0.48 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.53 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 0.55 0.68 -0.42 -3.38 -0.23 0.00 0.00 178.00 175.20 3kb8 s HIS 150 N -3.05 0.46 -2.29 1.56 -3.43 -1.26 -4.96 115.29 102.31 3kb8 s HIS 150 Ca 0.02 -0.85 0.22 0.00 -0.80 0.00 0.00 55.06 53.65 3kb8 s HIS 150 Cb 0.10 -0.17 0.52 0.00 -1.43 0.00 0.00 32.58 31.60 3kb8 s HIS 150 CO 0.77 -0.62 1.45 -0.85 -2.00 0.00 0.00 174.74 173.49 3kb8 n GLU 151 N -0.14 2.45 -2.19 -0.38 0.00 -1.26 -4.73 120.64 114.39 3kb8 n GLU 151 Ca -0.09 -2.22 -0.42 0.00 0.00 0.00 0.00 57.16 54.43 3kb8 n GLU 151 Cb 0.63 -1.51 0.00 0.00 0.00 0.00 0.00 31.44 30.56 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 1.37 2.86 -4.21 -1.84 3.72 -1.26 -4.89 117.46 113.21 3kb8 n PHE 152 Ca 0.20 -2.81 -0.12 0.00 -0.05 0.00 0.00 57.45 54.67 3kb8 n PHE 152 Cb 0.57 -1.97 -0.10 0.00 -0.94 0.00 0.00 39.48 37.04 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 0.24 0.75 0.21 -4.37 -7.23 -1.26 -4.60 120.40 104.13 3kb8 s VAL 153 Ca 0.44 -1.97 0.01 0.00 -1.81 0.00 0.00 61.98 58.65 3kb8 s VAL 153 Cb 0.12 -1.92 -0.05 0.00 0.56 0.00 0.00 36.38 35.10 3kb8 s VAL 153 CO -0.02 -0.66 0.05 0.68 -0.31 0.00 0.00 175.10 174.83 3kb8 s VAL 154 N -3.60 0.56 0.00 1.32 -7.23 0.10 -4.67 120.40 106.87 3kb8 s VAL 154 Ca 0.18 -1.99 0.00 0.00 -1.81 0.00 0.00 61.98 58.37 3kb8 s VAL 154 Cb 0.05 -2.36 0.00 0.00 0.56 0.00 0.00 36.38 34.63 3kb8 s VAL 154 CO 0.00 -0.24 0.00 0.61 -0.31 0.00 0.00 175.10 175.16 3kb8 n GLY 155 N -0.33 2.19 4.27 2.32 0.00 0.02 -0.28 105.19 113.37 3kb8 n GLY 155 Ca -0.03 -1.94 -0.33 0.00 0.00 0.00 0.00 46.02 43.72 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 1.49 -1.30 0.00 1.61 9.36 0.08 -0.86 117.16 127.54 3kb8 n TYR 156 Ca 0.00 0.55 0.00 0.00 3.32 0.00 0.00 57.90 61.77 3kb8 n TYR 156 Cb 0.00 -2.86 0.00 0.00 -0.63 0.00 0.00 39.34 35.85 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 -2.49 2.12 3.72 2.98 0.00 -0.00 -4.59 105.19 106.93 3kb8 n GLY 157 Ca -0.30 -0.25 -0.41 0.00 0.00 0.00 0.00 46.02 45.05 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 4.45 0.35 0.99 1.43 -0.03 -4.32 118.68 121.55 3kb8 s LEU 158 Ca 0.00 1.77 0.08 0.00 -1.03 0.00 0.00 54.13 54.96 3kb8 s LEU 158 Cb 0.00 -3.58 -0.05 0.00 0.03 0.00 0.00 46.19 42.59 3kb8 s LEU 158 CO 0.00 -0.16 0.11 1.51 0.23 0.00 0.00 176.35 178.04 3kb8 s ASP 159 N 0.38 4.48 -0.20 2.29 -4.77 -1.26 -0.80 116.67 116.79 3kb8 s ASP 159 Ca 0.49 -0.89 -0.03 0.00 -3.30 0.00 0.00 52.55 48.82 3kb8 s ASP 159 Cb -0.23 -0.62 0.06 0.00 -1.09 0.00 0.00 42.92 41.04 3kb8 s ASP 159 CO 0.29 -0.32 0.05 -0.47 0.70 0.00 0.00 175.17 175.43 3kb8 s TYR 160 N -2.48 0.86 -1.27 2.11 5.04 -0.48 -4.80 117.35 116.33 3kb8 s TYR 160 Ca 0.37 -0.79 -0.05 0.00 -2.44 0.00 0.00 57.07 54.16 3kb8 s TYR 160 Cb -0.01 -0.98 0.01 0.00 0.35 0.00 0.00 41.96 41.33 3kb8 s TYR 160 CO 0.22 -0.61 0.72 1.17 -1.34 0.00 0.00 175.55 175.70 3kb8 n LYS 161 N 5.10 -5.24 -0.72 4.97 3.00 -1.26 -1.51 118.16 122.50 3kb8 n LYS 161 Ca -0.08 0.75 0.00 0.00 -0.00 0.00 0.00 58.31 58.98 3kb8 n LYS 161 Cb 0.47 -5.38 0.00 0.00 0.00 0.00 0.00 35.03 30.12 3kb8 n LYS 161 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 3kb8 n GLU 162 N -3.87 0.00 -3.33 1.64 -0.58 -1.26 -4.99 120.64 108.25 3kb8 n GLU 162 Ca -0.06 0.00 -0.21 0.00 -0.42 0.00 0.00 57.16 56.48 3kb8 n GLU 162 Cb 0.58 -3.06 0.01 0.00 -0.57 0.00 0.00 31.44 28.41 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 -0.29 2.48 0.00 3.49 -0.21 -0.57 -4.63 119.66 119.93 3kb8 s GLN 163 Ca 0.00 -1.60 0.00 0.00 0.02 0.00 0.00 55.36 53.78 3kb8 s GLN 163 Cb 0.00 -2.50 0.00 0.00 1.00 0.00 0.00 33.01 31.51 3kb8 s GLN 163 CO 0.00 -0.50 0.00 0.66 -2.12 0.00 0.00 175.29 173.33 3kb8 n TYR 164 N -1.88 0.00 0.29 0.91 4.01 -1.26 -1.38 117.16 117.85 3kb8 n TYR 164 Ca 0.07 0.00 0.15 0.00 -0.16 0.00 0.00 57.90 57.96 3kb8 n TYR 164 Cb 0.62 -0.41 0.87 0.00 -0.31 0.00 0.00 39.34 40.10 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 1.90 0.00 -0.00 -0.72 3.08 -1.81 -2.68 114.38 114.15 3kb8 h ARG 165 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3kb8 h ARG 165 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3kb8 h ARG 165 CO 0.00 0.04 -0.09 0.27 -1.07 0.00 0.00 179.97 179.13 3kb8 n ASN 166 N -3.72 0.32 -4.75 7.04 6.94 -1.26 -0.82 115.26 119.00 3kb8 n ASN 166 Ca -0.03 -0.41 -0.42 0.00 -0.02 0.00 0.00 54.58 53.71 3kb8 n ASN 166 Cb 0.14 -0.14 -0.01 0.00 -2.36 0.00 0.00 39.78 37.41 3kb8 n ASN 166 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 3kb8 n LEU 167 N -1.08 4.40 0.00 -4.53 4.77 -1.02 -4.80 117.00 114.73 3kb8 n LEU 167 Ca 0.14 1.18 0.12 0.00 -0.03 0.00 0.00 56.01 57.43 3kb8 n LEU 167 Cb 0.27 -1.59 0.73 0.00 -2.33 0.00 0.00 43.42 40.50 3kb8 n LEU 167 CO 0.24 0.08 0.97 -0.81 -1.33 0.00 0.00 177.39 176.53 3kb8 n PRO 168 N 1.38 0.99 -4.30 3.23 -0.04 -1.26 -0.74 135.00 134.25 3kb8 n PRO 168 Ca 0.06 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.33 3kb8 n PRO 168 Cb 0.37 -1.39 -0.09 0.00 -0.04 0.00 0.00 33.50 32.36 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 -2.00 1.64 -0.19 0.54 -0.85 -1.26 -4.12 117.35 111.10 3kb8 s TYR 169 Ca 0.37 -1.55 -0.04 0.00 -0.52 0.00 0.00 57.07 55.33 3kb8 s TYR 169 Cb 0.17 -0.75 -0.02 0.00 0.38 0.00 0.00 41.96 41.74 3kb8 s TYR 169 CO 0.28 -0.74 -0.03 0.08 -1.52 0.00 0.00 175.55 173.63 3kb8 s VAL 170 N -3.56 3.69 0.33 -3.49 1.01 -0.75 -3.10 120.40 114.53 3kb8 s VAL 170 Ca 0.38 -0.41 0.04 0.00 0.00 0.00 0.00 61.98 62.00 3kb8 s VAL 170 Cb 0.03 -2.65 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 3kb8 s VAL 170 CO 0.23 0.44 0.18 -0.83 0.00 0.00 0.00 175.10 175.12 3kb8 s GLY 171 N 1.01 2.22 -0.09 4.51 0.00 0.61 -0.99 107.32 114.59 3kb8 s GLY 171 Ca 0.01 -1.72 -0.01 0.00 0.00 0.00 0.00 44.72 43.01 3kb8 s GLY 171 CO 0.01 -1.61 -0.06 0.14 0.00 0.00 0.00 173.10 171.58 3kb8 s VAL 172 N -3.50 3.76 0.52 1.40 1.01 -0.22 0.03 120.40 123.40 3kb8 s VAL 172 Ca 0.34 -0.44 -0.18 0.00 0.00 0.00 0.00 61.98 61.70 3kb8 s VAL 172 Cb 0.04 -2.57 -0.07 0.00 0.00 0.00 0.00 36.38 33.78 3kb8 s VAL 172 CO 0.19 0.57 1.01 -0.76 0.00 0.00 0.00 175.10 176.11 3kb8 s LEU 173 N -0.46 3.68 0.45 3.92 1.43 -1.26 0.26 118.68 126.70 3kb8 s LEU 173 Ca 0.07 1.74 -0.23 0.00 -1.03 0.00 0.00 54.13 54.68 3kb8 s LEU 173 Cb -0.12 -4.53 -0.08 0.00 0.03 0.00 0.00 46.19 41.49 3kb8 s LEU 173 CO 0.02 -0.77 1.13 -0.54 0.23 0.00 0.00 176.35 176.42 3kb8 s LYS 174 N -3.75 3.84 0.36 1.70 1.02 0.22 -4.46 119.74 118.66 3kb8 s LYS 174 Ca 0.63 1.68 0.10 0.00 0.02 0.00 0.00 55.97 58.40 3kb8 s LYS 174 Cb -0.13 -2.40 0.85 0.00 -0.52 0.00 0.00 37.83 35.62 3kb8 s LYS 174 CO 0.28 -0.46 1.87 -1.35 -0.92 0.00 0.00 175.35 174.76 3kb8 h PRO 175 N 2.09 0.64 0.00 -1.68 0.11 -1.96 -2.09 132.00 129.11 3kb8 h PRO 175 Ca -0.49 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3kb8 h PRO 175 Cb 1.24 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3kb8 h PRO 175 CO 0.60 0.42 0.00 0.66 -0.21 0.00 0.00 178.00 179.48 3kb8 h SER 176 N 0.66 0.00 -0.55 -2.05 4.64 -1.92 -1.15 113.55 113.18 3kb8 h SER 176 Ca 0.45 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.68 3kb8 h SER 176 Cb 0.76 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.83 3kb8 h SER 176 CO -0.20 0.00 0.00 0.58 -0.87 0.00 0.00 176.83 176.34 3kb8 h VAL 177 N 0.00 1.26 -0.01 0.95 2.07 -1.74 -3.28 116.25 115.50 3kb8 h VAL 177 Ca 0.00 -1.11 0.00 0.00 0.82 0.00 0.00 66.70 66.41 3kb8 h VAL 177 Cb 0.27 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 3kb8 h VAL 177 CO 0.00 0.40 -0.09 0.00 0.02 0.00 0.00 177.57 177.90 3kb8 n TYR 178 N -4.26 0.00 -1.43 1.57 4.11 -1.03 -5.11 117.16 111.01 3kb8 n TYR 178 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.92 3kb8 n TYR 178 Cb 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.67 3kb8 n TYR 178 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.86 175.73