#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sm9 s ILE 5 N 0.00 3.09 0.50 2.46 1.01 -1.26 -4.94 121.20 122.06 1sm9 s ILE 5 Ca 0.00 0.08 -0.23 0.00 0.00 0.00 0.00 60.65 60.50 1sm9 s ILE 5 Cb 0.00 -3.12 -0.06 0.00 0.01 0.00 0.00 42.46 39.29 1sm9 s ILE 5 CO 0.00 -0.08 1.36 -2.84 0.00 0.00 0.00 174.94 173.38 1sm9 s PRO 6 N 6.40 3.39 0.19 2.79 0.02 -1.26 -4.81 135.00 141.72 1sm9 s PRO 6 Ca 0.97 2.24 0.04 0.00 0.02 0.00 0.00 61.00 64.27 1sm9 s PRO 6 Cb -0.30 -2.41 -0.03 0.00 0.02 0.00 0.00 34.50 31.78 1sm9 s PRO 6 CO 0.34 -0.99 0.26 -0.51 -0.33 0.00 0.00 177.00 175.77 1sm9 s ASP 7 N -0.85 6.01 -0.08 2.53 1.01 -1.26 -1.00 116.67 123.02 1sm9 s ASP 7 Ca 0.67 0.01 0.04 0.00 0.71 0.00 0.00 52.55 53.98 1sm9 s ASP 7 Cb -0.40 -1.71 0.00 0.00 1.01 0.00 0.00 42.92 41.82 1sm9 s ASP 7 CO 0.49 0.01 -0.22 -0.63 0.21 0.00 0.00 175.17 175.03 1sm9 s ILE 8 N -1.87 1.86 -0.28 0.77 1.01 0.13 -4.82 121.20 117.99 1sm9 s ILE 8 Ca 0.33 -0.92 -0.25 0.00 0.00 0.00 0.00 60.65 59.82 1sm9 s ILE 8 Cb -0.10 -1.61 0.00 0.00 0.01 0.00 0.00 42.46 40.76 1sm9 s ILE 8 CO 0.27 0.52 0.84 -0.75 0.00 0.00 0.00 174.94 175.82 1sm9 s LYS 9 N 0.28 4.07 0.80 2.79 2.20 -1.26 0.14 119.74 128.76 1sm9 s LYS 9 Ca -0.15 0.80 -0.12 0.00 -0.36 0.00 0.00 55.97 56.15 1sm9 s LYS 9 Cb -0.16 -3.70 0.07 0.00 -1.51 0.00 0.00 37.83 32.53 1sm9 s LYS 9 CO 0.07 -0.64 1.12 -0.51 -0.36 0.00 0.00 175.35 175.02 1sm9 s LEU 10 N 3.00 2.53 0.31 5.43 1.43 0.68 -4.91 118.68 127.14 1sm9 s LEU 10 Ca 0.35 1.13 0.23 0.00 -1.03 0.00 0.00 54.13 54.81 1sm9 s LEU 10 Cb -0.14 -3.71 1.12 0.00 0.03 0.00 0.00 46.19 43.50 1sm9 s LEU 10 CO 0.11 -1.95 1.70 -1.54 0.23 0.00 0.00 176.35 174.90 1sm9 n SER 11 N -3.40 0.64 -0.21 2.29 3.41 -1.26 -1.13 113.62 113.96 1sm9 n SER 11 Ca 0.07 0.73 0.14 0.00 -0.26 0.00 0.00 58.87 59.55 1sm9 n SER 11 Cb 0.58 -0.84 0.58 0.00 -0.26 0.00 0.00 64.21 64.27 1sm9 n SER 11 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1sm9 n SER 12 N -2.29 0.75 0.00 4.04 3.41 -1.26 -4.92 113.62 113.36 1sm9 n SER 12 Ca 0.00 -0.88 0.00 0.00 -0.26 0.00 0.00 58.87 57.73 1sm9 n SER 12 Cb 0.12 -0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 1sm9 n SER 12 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1sm9 n GLY 13 N 1.24 3.30 3.82 5.00 0.00 -0.29 -5.04 105.19 113.22 1sm9 n GLY 13 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 1sm9 n GLY 13 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1sm9 s HIS 14 N -2.56 3.30 0.00 1.61 4.02 -1.26 -4.72 115.29 115.67 1sm9 s HIS 14 Ca 0.00 1.60 -0.16 0.00 1.02 0.00 0.00 55.06 57.52 1sm9 s HIS 14 Cb 0.00 -2.86 -0.06 0.00 -1.02 0.00 0.00 32.58 28.64 1sm9 s HIS 14 CO 0.00 -0.18 0.44 -0.51 1.02 0.00 0.00 174.74 175.51 1sm9 s LEU 15 N -3.27 4.47 -0.10 0.89 1.43 -1.26 -0.23 118.68 120.60 1sm9 s LEU 15 Ca 0.62 1.00 0.03 0.00 -1.03 0.00 0.00 54.13 54.75 1sm9 s LEU 15 Cb -0.10 -2.65 0.01 0.00 0.03 0.00 0.00 46.19 43.48 1sm9 s LEU 15 CO 0.15 0.28 -0.20 -0.32 0.23 0.00 0.00 176.35 176.50 1sm9 s MET 16 N -0.91 2.63 0.35 1.70 -2.45 0.12 -4.91 119.30 115.82 1sm9 s MET 16 Ca 0.25 -0.73 -0.29 0.00 -1.25 0.00 0.00 55.69 53.67 1sm9 s MET 16 Cb -0.17 -2.06 -0.11 0.00 1.25 0.00 0.00 34.83 33.74 1sm9 s MET 16 CO 0.14 0.08 1.52 -2.14 1.05 0.00 0.00 175.02 175.67 1sm9 s PRO 17 N 0.57 4.12 0.25 4.11 0.02 -1.26 0.19 135.00 143.00 1sm9 s PRO 17 Ca -0.15 2.57 0.25 0.00 0.02 0.00 0.00 61.00 63.69 1sm9 s PRO 17 Cb -0.17 -2.99 0.91 0.00 0.02 0.00 0.00 34.50 32.27 1sm9 s PRO 17 CO 0.05 -0.56 1.75 -1.13 -0.33 0.00 0.00 177.00 176.77 1sm9 n SER 18 N 1.08 0.77 -3.95 2.53 3.41 -0.17 -4.60 113.62 112.69 1sm9 n SER 18 Ca 0.03 0.63 -0.27 0.00 -0.26 0.00 0.00 58.87 59.01 1sm9 n SER 18 Cb 0.39 -0.82 -0.17 0.00 -0.26 0.00 0.00 64.21 63.35 1sm9 n SER 18 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1sm9 s ILE 19 N -3.23 1.15 0.36 -1.33 1.01 -1.26 -0.66 121.20 117.24 1sm9 s ILE 19 Ca 0.07 -0.39 0.02 0.00 0.00 0.00 0.00 60.65 60.35 1sm9 s ILE 19 Cb 0.11 -1.13 -0.01 0.00 0.01 0.00 0.00 42.46 41.44 1sm9 s ILE 19 CO 0.49 0.38 0.07 0.61 0.00 0.00 0.00 174.94 176.49 1sm9 n GLY 20 N 4.69 3.54 3.24 6.18 0.00 0.34 -4.55 105.19 118.63 1sm9 n GLY 20 Ca -0.15 -2.19 -0.35 0.00 0.00 0.00 0.00 46.02 43.33 1sm9 n GLY 20 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1sm9 s PHE 21 N -2.63 3.03 0.18 1.61 5.36 0.16 -3.61 117.98 122.07 1sm9 s PHE 21 Ca 0.09 -1.32 -0.30 0.00 -0.96 0.00 0.00 56.93 54.44 1sm9 s PHE 21 Cb 0.00 -2.09 -0.08 0.00 -0.34 0.00 0.00 43.02 40.52 1sm9 s PHE 21 CO 0.07 -0.67 1.15 0.20 -1.46 0.00 0.00 175.22 174.51 1sm9 s GLY 22 N 1.39 2.75 0.00 13.12 0.00 -0.91 -1.53 107.32 122.13 1sm9 s GLY 22 Ca 0.02 0.88 0.14 0.00 0.00 0.00 0.00 44.72 45.76 1sm9 s GLY 22 CO -0.04 1.77 1.24 0.00 0.00 0.00 0.00 173.10 176.07 1sm9 s TRP 24 N -1.05 3.21 -0.82 0.00 -0.00 -1.26 -2.69 118.94 116.32 1sm9 s TRP 24 Ca 0.27 1.01 0.00 0.00 -0.00 0.00 0.00 56.10 57.38 1sm9 s TRP 24 Cb 0.15 -3.61 0.00 0.00 -0.00 0.00 0.00 33.47 30.01 1sm9 s TRP 24 CO 0.20 -2.12 0.00 1.63 -0.00 0.00 0.00 176.95 176.66 1sm9 n LYS 25 N 4.26 -0.69 -2.42 5.86 5.02 -1.26 -4.97 118.16 123.96 1sm9 n LYS 25 Ca 0.11 0.72 -0.43 0.00 -2.02 0.00 0.00 58.31 56.70 1sm9 n LYS 25 Cb 0.44 -4.58 -0.02 0.00 -0.02 0.00 0.00 35.03 30.84 1sm9 n LYS 25 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1sm9 s LEU 26 N -1.76 3.99 0.48 -0.35 1.43 -1.10 -4.96 118.68 116.41 1sm9 s LEU 26 Ca 0.00 1.38 -0.24 0.00 -1.03 0.00 0.00 54.13 54.24 1sm9 s LEU 26 Cb 0.00 -3.54 -0.08 0.00 0.03 0.00 0.00 46.19 42.60 1sm9 s LEU 26 CO 0.00 -0.97 1.36 0.00 0.23 0.00 0.00 176.35 176.97 1sm9 n ALA 27 N 7.27 1.67 -0.25 4.21 0.00 -1.26 -4.79 120.51 127.35 1sm9 n ALA 27 Ca 0.14 0.21 -0.06 0.00 0.00 0.00 0.00 53.44 53.74 1sm9 n ALA 27 Cb 0.46 -2.34 0.08 0.00 0.00 0.00 0.00 19.45 17.65 1sm9 n ALA 27 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1sm9 h ASN 28 N 1.94 1.04 0.22 0.00 4.21 -1.93 -0.35 115.58 120.72 1sm9 h ASN 28 Ca -0.50 -0.19 -0.03 0.00 1.21 0.00 0.00 56.30 56.79 1sm9 h ASN 28 Cb 1.29 -0.27 -0.00 0.00 -1.12 0.00 0.00 38.32 38.21 1sm9 h ASN 28 CO 0.59 0.96 -0.15 0.00 -1.29 0.00 0.00 177.43 177.55 1sm9 h ALA 29 N 1.18 1.55 -0.00 -0.83 0.00 -2.02 -3.26 119.26 115.89 1sm9 h ALA 29 Ca 0.24 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1sm9 h ALA 29 Cb 0.29 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1sm9 h ALA 29 CO -0.01 0.18 0.00 0.25 0.00 0.00 0.00 179.25 179.67 1sm9 n THR 30 N -4.07 0.19 -0.15 0.00 -2.24 -1.12 -4.78 114.28 102.12 1sm9 n THR 30 Ca -0.02 -0.59 -0.03 0.00 -2.27 0.00 0.00 64.05 61.13 1sm9 n THR 30 Cb 0.23 0.91 0.06 0.00 -2.10 0.00 0.00 70.33 69.43 1sm9 n THR 30 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sm9 h ALA 31 N 0.07 0.56 -0.07 6.98 0.00 -1.10 -0.44 119.26 125.25 1sm9 h ALA 31 Ca 0.00 0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.03 1sm9 h ALA 31 Cb 0.11 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.92 1sm9 h ALA 31 CO 0.00 -0.26 -0.34 0.78 0.00 0.00 0.00 179.25 179.43 1sm9 h GLY 32 N 0.29 -0.52 1.01 0.00 0.00 -1.79 -0.51 103.07 101.55 1sm9 h GLY 32 Ca 0.23 0.41 -0.01 0.00 0.00 0.00 0.00 47.33 47.96 1sm9 h GLY 32 CO -0.27 -0.23 0.46 -2.09 0.00 0.00 0.00 176.54 174.42 1sm9 h GLU 33 N -0.45 1.10 -0.44 4.80 4.57 -1.77 -1.38 114.58 121.02 1sm9 h GLU 33 Ca 0.08 -0.11 -0.04 0.00 -1.18 0.00 0.00 59.36 58.11 1sm9 h GLU 33 Cb 0.57 -0.22 -0.02 0.00 -0.16 0.00 0.00 28.75 28.92 1sm9 h GLU 33 CO -0.32 0.79 0.13 1.96 -1.18 0.00 0.00 179.01 180.38 1sm9 h GLN 34 N 1.10 0.69 -0.10 1.92 4.20 -0.76 -0.46 115.11 121.70 1sm9 h GLN 34 Ca 0.28 -0.15 -0.00 0.00 0.06 0.00 0.00 58.65 58.84 1sm9 h GLN 34 Cb -0.01 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 1sm9 h GLN 34 CO -0.05 0.68 0.06 0.28 -0.67 0.00 0.00 178.83 179.13 1sm9 h VAL 35 N 0.57 1.05 -0.45 -0.54 2.07 -0.89 0.35 116.25 118.42 1sm9 h VAL 35 Ca 0.14 -0.14 0.09 0.00 0.82 0.00 0.00 66.70 67.61 1sm9 h VAL 35 Cb 0.29 0.96 -0.08 0.00 -1.52 0.00 0.00 31.29 30.93 1sm9 h VAL 35 CO -0.00 0.05 -0.08 0.22 0.02 0.00 0.00 177.57 177.78 1sm9 h TYR 36 N 0.11 -0.17 -0.50 1.57 3.20 -1.08 0.23 116.97 120.33 1sm9 h TYR 36 Ca 0.04 0.04 -0.04 0.00 3.14 0.00 0.00 58.73 61.90 1sm9 h TYR 36 Cb 0.02 0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 1sm9 h TYR 36 CO -0.06 -0.16 0.15 1.96 -1.64 0.00 0.00 178.16 178.41 1sm9 h GLN 37 N 0.03 0.78 -0.46 1.82 1.08 -0.68 -1.01 115.11 116.68 1sm9 h GLN 37 Ca 0.22 -0.17 0.05 0.00 -1.45 0.00 0.00 58.65 57.30 1sm9 h GLN 37 Cb 0.34 -0.11 -0.04 0.00 -0.05 0.00 0.00 27.48 27.61 1sm9 h GLN 37 CO -0.44 0.73 0.20 0.00 -0.95 0.00 0.00 178.83 178.38 1sm9 h ALA 38 N 1.01 0.57 -0.76 3.87 0.00 0.72 0.55 119.26 125.22 1sm9 h ALA 38 Ca 0.16 0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.17 1sm9 h ALA 38 Cb 0.28 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 1sm9 h ALA 38 CO -0.00 -0.17 0.45 0.82 0.00 0.00 0.00 179.25 180.35 1sm9 h ILE 39 N 0.41 0.99 -0.18 0.00 2.04 -0.01 -0.49 117.51 120.25 1sm9 h ILE 39 Ca 0.21 -0.28 -0.04 0.00 1.00 0.00 0.00 64.86 65.75 1sm9 h ILE 39 Cb 0.15 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.33 1sm9 h ILE 39 CO -0.17 0.15 -0.07 0.11 0.00 0.00 0.00 178.15 178.16 1sm9 h LYS 40 N 0.81 0.28 0.00 2.37 1.57 0.17 -1.80 116.57 119.97 1sm9 h LYS 40 Ca 0.34 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 1sm9 h LYS 40 Cb 0.21 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.47 1sm9 h LYS 40 CO -0.19 0.36 0.00 0.00 -0.57 0.00 0.00 179.45 179.05 1sm9 n ALA 41 N -2.49 2.39 0.00 3.86 0.00 0.04 -4.89 120.51 119.42 1sm9 n ALA 41 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1sm9 n ALA 41 Cb 0.23 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.26 1sm9 n ALA 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sm9 n GLY 42 N 0.81 0.66 3.77 0.00 0.00 -0.67 -4.98 105.19 104.77 1sm9 n GLY 42 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 1sm9 n GLY 42 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1sm9 s TYR 43 N -2.00 3.48 0.00 1.61 1.51 -0.76 -4.94 117.35 116.25 1sm9 s TYR 43 Ca 0.00 1.70 0.00 0.00 -1.01 0.00 0.00 57.07 57.76 1sm9 s TYR 43 Cb 0.00 -3.17 0.00 0.00 -0.11 0.00 0.00 41.96 38.68 1sm9 s TYR 43 CO 0.00 -0.45 0.00 0.54 -1.11 0.00 0.00 175.55 174.53 1sm9 n ARG 44 N 0.63 2.47 -3.68 -0.62 5.12 -1.26 -4.12 116.66 115.20 1sm9 n ARG 44 Ca 0.02 0.00 -0.35 0.00 -1.93 0.00 0.00 57.85 55.58 1sm9 n ARG 44 Cb 0.47 -0.84 -0.08 0.00 -1.16 0.00 0.00 32.46 30.85 1sm9 n ARG 44 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 1sm9 s LEU 45 N -2.75 4.23 -0.20 0.55 0.20 -1.26 -0.79 118.68 118.66 1sm9 s LEU 45 Ca 0.00 0.32 0.01 0.00 0.69 0.00 0.00 54.13 55.15 1sm9 s LEU 45 Cb 0.00 -2.17 0.04 0.00 -0.43 0.00 0.00 46.19 43.63 1sm9 s LEU 45 CO 0.00 0.16 -0.12 -0.36 -0.29 0.00 0.00 176.35 175.75 1sm9 s PHE 46 N 0.34 2.59 -0.60 5.38 0.40 -0.45 -0.66 117.98 124.98 1sm9 s PHE 46 Ca 0.11 -1.71 -0.23 0.00 -0.60 0.00 0.00 56.93 54.50 1sm9 s PHE 46 Cb -0.12 -1.72 0.06 0.00 0.51 0.00 0.00 43.02 41.75 1sm9 s PHE 46 CO -0.00 -0.77 0.94 0.34 0.70 0.00 0.00 175.22 176.42 1sm9 s ASP 47 N 1.34 6.24 0.07 1.36 2.15 -0.59 -1.51 116.67 125.74 1sm9 s ASP 47 Ca -0.01 -0.71 0.00 0.00 0.43 0.00 0.00 52.55 52.25 1sm9 s ASP 47 Cb -0.16 -2.42 0.00 0.00 -0.30 0.00 0.00 42.92 40.04 1sm9 s ASP 47 CO -0.08 -1.32 0.01 0.61 -0.17 0.00 0.00 175.17 174.22 1sm9 n GLY 48 N 5.23 3.90 3.60 2.66 0.00 0.17 -1.40 105.19 119.36 1sm9 n GLY 48 Ca -0.02 -2.23 -0.09 0.00 0.00 0.00 0.00 46.02 43.69 1sm9 n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sm9 s ALA 49 N -2.12 -1.99 0.24 4.61 0.00 -1.26 -3.91 121.76 117.33 1sm9 s ALA 49 Ca 0.01 1.69 -0.05 0.00 0.00 0.00 0.00 51.96 53.61 1sm9 s ALA 49 Cb -0.00 -1.03 0.36 0.00 0.00 0.00 0.00 23.12 22.44 1sm9 s ALA 49 CO 0.01 -0.27 1.83 0.93 0.00 0.00 0.00 175.76 178.26 1sm9 h GLU 50 N 2.83 0.86 0.00 0.00 5.08 -1.91 -1.21 114.58 120.22 1sm9 h GLU 50 Ca -0.19 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 1sm9 h GLU 50 Cb 1.17 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.23 1sm9 h GLU 50 CO 0.25 0.57 0.00 0.22 -1.00 0.00 0.00 179.01 179.05 1sm9 h ASP 51 N 0.88 0.00 1.11 1.42 -0.00 -1.96 -1.77 116.42 116.10 1sm9 h ASP 51 Ca 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.41 1sm9 h ASP 51 Cb 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.58 1sm9 h ASP 51 CO -0.20 0.00 0.00 1.88 -0.00 0.00 0.00 179.24 180.92 1sm9 h TYR 52 N 0.00 0.00 -1.93 0.28 0.05 -1.60 -3.47 116.97 110.30 1sm9 h TYR 52 Ca 0.00 0.00 -0.39 0.00 0.05 0.00 0.00 58.73 58.39 1sm9 h TYR 52 Cb 0.16 0.00 -0.10 0.00 1.01 0.00 0.00 36.73 37.80 1sm9 h TYR 52 CO 0.00 0.00 -0.41 0.41 -1.05 0.00 0.00 178.16 177.11 1sm9 n GLY 53 N 0.40 0.89 0.63 3.88 0.00 -0.67 -4.83 105.19 105.49 1sm9 n GLY 53 Ca 0.03 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.09 1sm9 n GLY 53 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1sm9 n ASN 54 N -1.49 0.99 -0.05 1.61 0.23 -1.26 -4.85 115.26 110.44 1sm9 n ASN 54 Ca -0.20 -2.50 -0.03 0.00 -0.53 0.00 0.00 54.58 51.32 1sm9 n ASN 54 Cb 0.64 -0.32 0.21 0.00 -2.08 0.00 0.00 39.78 38.23 1sm9 n ASN 54 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1sm9 h GLU 55 N 0.34 0.65 -0.21 -3.83 5.08 -1.88 0.09 114.58 114.83 1sm9 h GLU 55 Ca -0.05 -0.18 0.01 0.00 -1.00 0.00 0.00 59.36 58.14 1sm9 h GLU 55 Cb 1.37 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.53 1sm9 h GLU 55 CO 0.02 0.71 0.11 -0.22 -1.00 0.00 0.00 179.01 178.64 1sm9 h LYS 56 N 0.60 0.23 -0.24 2.33 3.64 -1.89 0.12 116.57 121.37 1sm9 h LYS 56 Ca 0.12 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.37 1sm9 h LYS 56 Cb 0.47 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 1sm9 h LYS 56 CO 0.02 0.15 -0.32 0.93 -2.27 0.00 0.00 179.45 177.96 1sm9 h GLU 57 N 0.24 0.51 -0.77 1.90 3.07 -1.75 -0.87 114.58 116.91 1sm9 h GLU 57 Ca 0.08 -0.22 -0.03 0.00 -0.50 0.00 0.00 59.36 58.69 1sm9 h GLU 57 Cb 0.01 -0.01 -0.04 0.00 -0.84 0.00 0.00 28.75 27.87 1sm9 h GLU 57 CO -0.05 0.77 0.35 0.28 -1.40 0.00 0.00 179.01 178.97 1sm9 h VAL 58 N 0.43 1.24 -0.87 3.13 2.07 -0.51 -1.66 116.25 120.10 1sm9 h VAL 58 Ca 0.05 -0.70 -0.03 0.00 0.82 0.00 0.00 66.70 66.84 1sm9 h VAL 58 Cb 0.78 0.28 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 1sm9 h VAL 58 CO 0.06 0.30 0.44 1.23 0.02 0.00 0.00 177.57 179.62 1sm9 h GLY 59 N 1.13 1.33 0.95 2.17 0.00 -0.07 -2.15 103.07 106.43 1sm9 h GLY 59 Ca 0.26 -0.64 0.01 0.00 0.00 0.00 0.00 47.33 46.97 1sm9 h GLY 59 CO -0.03 0.61 0.23 -0.55 0.00 0.00 0.00 176.54 176.80 1sm9 h ASP 60 N 1.23 0.39 -0.53 0.19 3.32 -0.30 0.18 116.42 120.89 1sm9 h ASP 60 Ca 0.30 -0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.38 1sm9 h ASP 60 Cb 0.09 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.51 1sm9 h ASP 60 CO -0.04 0.28 0.31 1.23 -1.72 0.00 0.00 179.24 179.29 1sm9 h GLY 61 N 0.47 0.75 0.79 2.75 0.00 -0.95 -0.65 103.07 106.24 1sm9 h GLY 61 Ca 0.14 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.24 1sm9 h GLY 61 CO -0.05 0.18 -0.12 -2.08 0.00 0.00 0.00 176.54 174.47 1sm9 h VAL 62 N 0.61 0.81 -0.62 4.60 2.07 -1.02 -1.84 116.25 120.86 1sm9 h VAL 62 Ca 0.22 -0.42 0.08 0.00 0.82 0.00 0.00 66.70 67.40 1sm9 h VAL 62 Cb 0.05 1.05 -0.06 0.00 -1.52 0.00 0.00 31.29 30.81 1sm9 h VAL 62 CO -0.11 0.09 0.28 0.50 0.02 0.00 0.00 177.57 178.35 1sm9 h LYS 63 N -0.55 0.49 -0.88 1.57 3.64 -0.53 0.27 116.57 120.58 1sm9 h LYS 63 Ca -0.03 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1sm9 h LYS 63 Cb 0.40 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.07 1sm9 h LYS 63 CO 0.06 0.32 0.53 -0.09 -2.27 0.00 0.00 179.45 178.00 1sm9 h ARG 64 N 0.50 1.18 -0.52 1.90 2.43 -1.08 0.13 114.38 118.92 1sm9 h ARG 64 Ca 0.30 -0.10 -0.12 0.00 -0.81 0.00 0.00 59.98 59.25 1sm9 h ARG 64 Cb 0.31 -0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 1sm9 h ARG 64 CO -0.26 0.82 -0.16 0.00 -1.51 0.00 0.00 179.97 178.87 1sm9 h ALA 65 N 1.38 0.74 -0.18 2.80 0.00 -0.14 -2.63 119.26 121.23 1sm9 h ALA 65 Ca 0.31 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1sm9 h ALA 65 Cb -0.06 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1sm9 h ALA 65 CO -0.06 0.68 -0.06 0.82 0.00 0.00 0.00 179.25 180.63 1sm9 h ILE 66 N 0.89 1.30 -0.73 0.00 2.04 -0.59 -1.46 117.51 118.95 1sm9 h ILE 66 Ca 0.13 -1.06 0.11 0.00 1.00 0.00 0.00 64.86 65.04 1sm9 h ILE 66 Cb 0.73 1.62 -0.08 0.00 -0.74 0.00 0.00 36.82 38.35 1sm9 h ILE 66 CO 0.06 0.32 0.34 0.44 0.00 0.00 0.00 178.15 179.30 1sm9 h ASP 67 N 0.06 0.39 0.00 1.72 3.32 -0.68 0.18 116.42 121.41 1sm9 h ASP 67 Ca 0.04 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.17 1sm9 h ASP 67 Cb 0.51 0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.09 1sm9 h ASP 67 CO 0.02 0.20 0.00 -0.62 -1.72 0.00 0.00 179.24 177.12 1sm9 n GLU 68 N -4.92 0.83 -1.31 3.56 1.02 -1.00 -4.86 120.64 113.96 1sm9 n GLU 68 Ca 0.12 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.16 1sm9 n GLU 68 Cb 0.33 -1.27 -0.05 0.00 -0.02 0.00 0.00 31.44 30.43 1sm9 n GLU 68 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1sm9 n GLY 69 N 0.51 1.18 0.26 0.62 0.00 0.64 -4.89 105.19 103.51 1sm9 n GLY 69 Ca 0.11 -0.45 -0.11 0.00 0.00 0.00 0.00 46.02 45.57 1sm9 n GLY 69 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1sm9 h LEU 70 N 0.00 0.89 -8.15 0.99 3.38 -1.45 -3.46 115.31 107.50 1sm9 h LEU 70 Ca -0.22 -0.40 -0.12 0.00 0.09 0.00 0.00 57.88 57.23 1sm9 h LEU 70 Cb 0.74 -0.25 -0.13 0.00 0.09 0.00 0.00 40.66 41.11 1sm9 h LEU 70 CO 0.32 1.17 -0.36 0.68 0.09 0.00 0.00 178.44 180.34 1sm9 s VAL 71 N -4.36 0.06 0.10 1.22 -7.23 -1.23 -5.04 120.40 103.94 1sm9 s VAL 71 Ca -0.10 -1.47 0.04 0.00 -1.81 0.00 0.00 61.98 58.64 1sm9 s VAL 71 Cb 0.12 -1.91 -0.04 0.00 0.56 0.00 0.00 36.38 35.11 1sm9 s VAL 71 CO 0.87 -0.29 0.05 -0.54 -0.31 0.00 0.00 175.10 174.88 1sm9 s LYS 72 N -3.99 2.72 0.30 4.82 1.02 -1.26 -4.17 119.74 119.18 1sm9 s LYS 72 Ca 0.19 -0.80 0.05 0.00 0.02 0.00 0.00 55.97 55.43 1sm9 s LYS 72 Cb 0.04 -2.62 0.72 0.00 -0.52 0.00 0.00 37.83 35.46 1sm9 s LYS 72 CO 0.01 0.54 1.75 -0.09 -0.92 0.00 0.00 175.35 176.63 1sm9 h ARG 73 N 3.19 0.60 0.00 1.68 9.65 -1.96 0.42 114.38 127.95 1sm9 h ARG 73 Ca -0.47 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.37 1sm9 h ARG 73 Cb 1.17 -0.14 0.00 0.00 -1.39 0.00 0.00 29.97 29.62 1sm9 h ARG 73 CO 0.62 0.40 0.00 0.93 2.80 0.00 0.00 179.97 184.72 1sm9 h GLU 74 N 0.62 0.00 0.00 0.20 3.07 -2.04 -1.66 114.58 114.77 1sm9 h GLU 74 Ca 0.57 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.43 1sm9 h GLU 74 Cb 0.95 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.86 1sm9 h GLU 74 CO -0.43 0.00 -0.59 0.39 -1.40 0.00 0.00 179.01 176.98 1sm9 n GLU 75 N -2.45 0.05 -3.89 2.33 1.02 0.13 -4.86 120.64 112.98 1sm9 n GLU 75 Ca -0.01 0.01 -0.35 0.00 -0.02 0.00 0.00 57.16 56.79 1sm9 n GLU 75 Cb 0.12 -1.53 -0.08 0.00 -0.02 0.00 0.00 31.44 29.93 1sm9 n GLU 75 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1sm9 s ILE 76 N -3.03 5.19 -0.36 -3.67 -1.09 -0.63 -4.85 121.20 112.76 1sm9 s ILE 76 Ca 0.10 0.10 -0.09 0.00 -2.23 0.00 0.00 60.65 58.54 1sm9 s ILE 76 Cb 0.17 -3.32 0.04 0.00 -1.58 0.00 0.00 42.46 37.76 1sm9 s ILE 76 CO 0.72 0.50 0.16 0.12 -1.23 0.00 0.00 174.94 175.22 1sm9 s PHE 77 N -0.09 3.26 -0.22 3.97 2.19 0.03 -4.94 117.98 122.18 1sm9 s PHE 77 Ca 0.09 -1.24 -0.09 0.00 0.33 0.00 0.00 56.93 56.02 1sm9 s PHE 77 Cb -0.12 -2.40 -0.05 0.00 -1.31 0.00 0.00 43.02 39.15 1sm9 s PHE 77 CO 0.00 -0.71 0.12 -0.51 1.83 0.00 0.00 175.22 175.96 1sm9 s LEU 78 N 1.47 3.98 -0.13 6.12 1.43 -1.26 -1.33 118.68 128.96 1sm9 s LEU 78 Ca 0.00 0.09 -0.02 0.00 -1.03 0.00 0.00 54.13 53.17 1sm9 s LEU 78 Cb -0.20 -2.05 -0.03 0.00 0.03 0.00 0.00 46.19 43.95 1sm9 s LEU 78 CO 0.04 0.10 -0.06 -0.89 0.23 0.00 0.00 176.35 175.77 1sm9 s THR 79 N 0.85 3.69 0.40 5.49 2.01 -0.57 -0.89 115.64 126.63 1sm9 s THR 79 Ca 0.06 -0.44 0.04 0.00 0.31 0.00 0.00 61.69 61.66 1sm9 s THR 79 Cb -0.13 -2.58 -0.02 0.00 0.01 0.00 0.00 72.50 69.78 1sm9 s THR 79 CO 0.03 0.53 0.16 -0.55 -0.69 0.00 0.00 174.62 174.09 1sm9 s SER 80 N 0.06 2.66 -0.07 3.53 0.15 0.43 -0.65 113.70 119.81 1sm9 s SER 80 Ca -0.01 -1.71 -0.06 0.00 0.70 0.00 0.00 55.95 54.87 1sm9 s SER 80 Cb -0.14 0.55 0.02 0.00 -1.71 0.00 0.00 66.02 64.75 1sm9 s SER 80 CO 0.03 -0.98 0.19 -0.54 1.20 0.00 0.00 173.24 173.14 1sm9 s LYS 81 N -3.65 0.20 -0.32 5.44 1.02 -1.25 -1.58 119.74 119.60 1sm9 s LYS 81 Ca 0.26 0.30 -0.29 0.00 0.02 0.00 0.00 55.97 56.26 1sm9 s LYS 81 Cb 0.02 0.04 0.00 0.00 -0.52 0.00 0.00 37.83 37.38 1sm9 s LYS 81 CO 0.17 -0.06 1.28 -1.17 -0.92 0.00 0.00 175.35 174.65 1sm9 s LEU 82 N 0.36 3.85 0.77 3.17 2.96 0.68 -2.96 118.68 127.52 1sm9 s LEU 82 Ca -0.02 1.12 -0.11 0.00 -0.22 0.00 0.00 54.13 54.90 1sm9 s LEU 82 Cb -0.04 -3.54 0.06 0.00 0.50 0.00 0.00 46.19 43.17 1sm9 s LEU 82 CO -0.02 -1.10 1.08 0.86 -1.32 0.00 0.00 176.35 175.86 1sm9 s TRP 83 N 4.40 2.69 0.60 5.38 -0.00 -1.26 -2.24 118.94 128.51 1sm9 s TRP 83 Ca 0.55 1.45 0.30 0.00 -0.00 0.00 0.00 56.10 58.41 1sm9 s TRP 83 Cb -0.15 -3.03 1.70 0.00 -0.00 0.00 0.00 33.47 31.99 1sm9 s TRP 83 CO 0.24 -1.75 2.09 -0.91 -0.00 0.00 0.00 176.95 176.62 1sm9 h ASN 84 N -1.09 0.00 0.57 5.86 2.35 -1.90 -2.18 115.58 119.18 1sm9 h ASN 84 Ca -0.45 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.30 1sm9 h ASN 84 Cb 1.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.61 1sm9 h ASN 84 CO 0.54 0.00 -0.06 0.59 -1.65 0.00 0.00 177.43 176.84 1sm9 n ASN 85 N -3.64 0.17 -1.37 5.81 4.13 -1.26 -0.29 115.26 118.80 1sm9 n ASN 85 Ca 0.01 -0.19 -0.09 0.00 1.68 0.00 0.00 54.58 56.00 1sm9 n ASN 85 Cb 0.34 -0.22 0.18 0.00 -1.54 0.00 0.00 39.78 38.54 1sm9 n ASN 85 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1sm9 n TYR 86 N -1.23 1.46 0.13 3.10 4.01 -0.82 -3.80 117.16 120.01 1sm9 n TYR 86 Ca 0.13 -1.74 -0.00 0.00 -0.16 0.00 0.00 57.90 56.12 1sm9 n TYR 86 Cb 0.27 -0.57 0.09 0.00 -0.31 0.00 0.00 39.34 38.82 1sm9 n TYR 86 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1sm9 h HIS 87 N 1.11 0.00 -2.72 -0.72 3.86 -1.75 -3.30 115.15 111.64 1sm9 h HIS 87 Ca 0.29 0.00 -0.52 0.00 -1.16 0.00 0.00 60.37 58.98 1sm9 h HIS 87 Cb 1.73 0.00 0.06 0.00 1.06 0.00 0.00 27.41 30.26 1sm9 h HIS 87 CO 1.11 0.64 0.98 0.34 0.86 0.00 0.00 177.93 181.86 1sm9 s ASP 88 N -6.61 6.42 0.29 2.45 -1.08 -1.26 -4.25 116.67 112.64 1sm9 s ASP 88 Ca 0.01 2.82 0.03 0.00 -0.52 0.00 0.00 52.55 54.88 1sm9 s ASP 88 Cb 0.10 -2.60 0.70 0.00 -1.46 0.00 0.00 42.92 39.66 1sm9 s ASP 88 CO 0.76 -0.94 1.69 -0.65 0.52 0.00 0.00 175.17 176.55 1sm9 h PRO 89 N 6.74 0.37 0.00 4.34 0.11 -1.87 0.30 132.00 141.99 1sm9 h PRO 89 Ca -0.43 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1sm9 h PRO 89 Cb 1.20 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1sm9 h PRO 89 CO 0.94 0.24 0.00 0.36 -0.21 0.00 0.00 178.00 179.34 1sm9 n LYS 90 N -5.07 0.00 -0.00 1.05 2.85 -1.26 -2.22 118.16 113.52 1sm9 n LYS 90 Ca 0.21 0.44 0.01 0.00 -1.05 0.00 0.00 58.31 57.92 1sm9 n LYS 90 Cb 0.63 -1.50 -0.02 0.00 -0.65 0.00 0.00 35.03 33.50 1sm9 n LYS 90 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1sm9 n ASN 91 N -1.49 0.27 0.19 -5.58 3.02 0.10 -4.67 115.26 107.10 1sm9 n ASN 91 Ca 0.01 -0.55 -0.14 0.00 -0.03 0.00 0.00 54.58 53.87 1sm9 n ASN 91 Cb 0.03 1.00 -0.07 0.00 -0.61 0.00 0.00 39.78 40.13 1sm9 n ASN 91 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1sm9 h VAL 92 N 0.00 0.63 -0.32 2.41 2.07 -0.92 -1.99 116.25 118.13 1sm9 h VAL 92 Ca 0.00 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1sm9 h VAL 92 Cb 0.07 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 1sm9 h VAL 92 CO 0.00 0.00 0.16 -0.08 0.02 0.00 0.00 177.57 177.67 1sm9 h GLU 93 N -0.45 0.43 -0.82 1.57 4.81 -1.86 -1.50 114.58 116.76 1sm9 h GLU 93 Ca -0.03 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.17 1sm9 h GLU 93 Cb 0.37 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.62 1sm9 h GLU 93 CO 0.03 0.33 0.54 1.15 -0.73 0.00 0.00 179.01 180.34 1sm9 h THR 94 N 0.44 1.21 -0.20 0.32 2.02 -1.70 0.71 112.91 115.71 1sm9 h THR 94 Ca 0.11 -0.39 -0.10 0.00 0.77 0.00 0.00 66.41 66.81 1sm9 h THR 94 Cb 0.03 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.44 1sm9 h THR 94 CO -0.02 0.21 -0.25 0.00 0.37 0.00 0.00 175.52 175.83 1sm9 h ALA 95 N 1.30 0.29 -0.99 6.16 0.00 -0.59 -2.68 119.26 122.75 1sm9 h ALA 95 Ca 0.30 -0.38 0.02 0.00 0.00 0.00 0.00 54.91 54.85 1sm9 h ALA 95 Cb -0.13 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.55 1sm9 h ALA 95 CO -0.06 0.27 0.66 1.25 0.00 0.00 0.00 179.25 181.36 1sm9 h LEU 96 N 0.18 1.12 -0.91 0.00 5.85 -1.02 -0.75 115.31 119.78 1sm9 h LEU 96 Ca 0.02 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 1sm9 h LEU 96 Cb 0.82 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 1sm9 h LEU 96 CO 0.06 0.80 0.31 0.78 -0.34 0.00 0.00 178.44 180.05 1sm9 h ASN 97 N 1.32 1.01 -0.46 1.25 2.35 -0.82 0.34 115.58 120.58 1sm9 h ASN 97 Ca 0.37 -0.14 -0.05 0.00 -0.55 0.00 0.00 56.30 55.93 1sm9 h ASN 97 Cb -0.11 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 37.98 1sm9 h ASN 97 CO -0.09 0.89 0.10 0.50 -1.65 0.00 0.00 177.43 177.17 1sm9 h LYS 98 N 1.08 0.74 -0.37 0.81 1.63 -0.98 0.22 116.57 119.70 1sm9 h LYS 98 Ca 0.25 -0.19 -0.00 0.00 -0.85 0.00 0.00 60.65 59.86 1sm9 h LYS 98 Cb 0.19 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 31.70 1sm9 h LYS 98 CO -0.02 0.74 0.21 1.15 -3.45 0.00 0.00 179.45 178.08 1sm9 h THR 99 N 0.61 1.13 -0.63 1.00 2.02 -0.51 -0.42 112.91 116.11 1sm9 h THR 99 Ca 0.14 -0.33 -0.04 0.00 0.77 0.00 0.00 66.41 66.95 1sm9 h THR 99 Cb 0.34 0.68 -0.03 0.00 -1.74 0.00 0.00 68.15 67.40 1sm9 h THR 99 CO 0.00 0.14 0.23 -0.07 0.37 0.00 0.00 175.52 176.19 1sm9 h LEU 100 N 0.48 0.89 0.32 2.58 3.38 -0.02 0.11 115.31 123.05 1sm9 h LEU 100 Ca 0.13 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1sm9 h LEU 100 Cb 0.03 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.55 1sm9 h LEU 100 CO -0.02 0.84 -0.15 0.00 0.09 0.00 0.00 178.44 179.19 1sm9 h ALA 101 N 1.09 -0.43 -0.49 1.53 0.00 -0.39 -0.18 119.26 120.40 1sm9 h ALA 101 Ca 0.21 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 55.04 1sm9 h ALA 101 Cb 0.24 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 1sm9 h ALA 101 CO -0.01 -0.68 0.21 -0.44 0.00 0.00 0.00 179.25 178.32 1sm9 h ASP 102 N -0.55 0.26 1.11 0.00 3.32 -0.88 -1.40 116.42 118.28 1sm9 h ASP 102 Ca -0.04 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1sm9 h ASP 102 Cb 0.40 0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.96 1sm9 h ASP 102 CO 0.07 0.18 0.00 -0.07 -1.72 0.00 0.00 179.24 177.70 1sm9 h LEU 103 N 0.41 0.00 -1.78 1.55 3.38 -0.92 -3.33 115.31 114.62 1sm9 h LEU 103 Ca 0.23 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.90 1sm9 h LEU 103 Cb 0.19 0.00 0.16 0.00 0.09 0.00 0.00 40.66 41.10 1sm9 h LEU 103 CO -0.20 0.00 -0.72 0.29 0.09 0.00 0.00 178.44 177.90 1sm9 n LYS 104 N -2.34 -5.63 -4.16 1.13 5.02 -0.11 -4.52 118.16 107.56 1sm9 n LYS 104 Ca 0.04 0.79 -0.10 0.00 -2.02 0.00 0.00 58.31 57.01 1sm9 n LYS 104 Cb 0.33 -5.60 -0.10 0.00 -0.02 0.00 0.00 35.03 29.63 1sm9 n LYS 104 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1sm9 s VAL 105 N -3.34 0.11 -0.56 -0.18 -7.23 -0.99 -5.01 120.40 103.20 1sm9 s VAL 105 Ca 0.05 -1.92 0.24 0.00 -1.81 0.00 0.00 61.98 58.54 1sm9 s VAL 105 Cb -0.01 -2.09 0.05 0.00 0.56 0.00 0.00 36.38 34.89 1sm9 s VAL 105 CO 0.68 -0.42 1.28 0.44 -0.31 0.00 0.00 175.10 176.76 1sm9 h ASP 106 N 2.84 0.00 -4.96 4.85 3.32 -1.96 -3.43 116.42 117.08 1sm9 h ASP 106 Ca -0.35 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 56.52 1sm9 h ASP 106 Cb 1.20 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.63 1sm9 h ASP 106 CO 0.59 0.09 0.24 -0.72 -1.72 0.00 0.00 179.24 177.71 1sm9 s TYR 107 N -3.20 -0.53 0.14 4.55 -0.85 -1.26 -4.51 117.35 111.69 1sm9 s TYR 107 Ca 0.05 0.37 0.06 0.00 -0.52 0.00 0.00 57.07 57.03 1sm9 s TYR 107 Cb 0.12 0.55 -0.04 0.00 0.38 0.00 0.00 41.96 42.97 1sm9 s TYR 107 CO 0.73 -0.80 0.02 0.14 -1.52 0.00 0.00 175.55 174.12 1sm9 s VAL 108 N -3.52 3.96 0.12 -3.49 -7.23 -0.84 -4.98 120.40 104.43 1sm9 s VAL 108 Ca 0.01 -1.20 0.09 0.00 -1.81 0.00 0.00 61.98 59.06 1sm9 s VAL 108 Cb -0.01 -2.96 -0.13 0.00 0.56 0.00 0.00 36.38 33.84 1sm9 s VAL 108 CO -0.11 -0.03 1.38 0.44 -0.31 0.00 0.00 175.10 176.47 1sm9 h ASP 109 N 2.92 0.00 -3.25 4.85 3.32 -1.36 -2.06 116.42 120.85 1sm9 h ASP 109 Ca -0.47 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.40 1sm9 h ASP 109 Cb 1.19 0.00 -0.29 0.00 0.22 0.00 0.00 39.33 40.45 1sm9 h ASP 109 CO 0.59 0.85 -0.45 -0.22 -1.72 0.00 0.00 179.24 178.30 1sm9 s LEU 110 N -6.87 0.20 -0.13 1.55 2.96 -0.71 -1.16 118.68 114.51 1sm9 s LEU 110 Ca 0.01 0.62 0.00 0.00 -0.22 0.00 0.00 54.13 54.54 1sm9 s LEU 110 Cb 0.10 0.88 0.02 0.00 0.50 0.00 0.00 46.19 47.69 1sm9 s LEU 110 CO 0.80 -0.18 -0.12 0.12 -1.32 0.00 0.00 176.35 175.64 1sm9 s PHE 111 N 1.45 1.89 0.07 5.38 5.36 -0.97 -0.43 117.98 130.73 1sm9 s PHE 111 Ca -0.08 -1.00 0.06 0.00 -0.96 0.00 0.00 56.93 54.95 1sm9 s PHE 111 Cb -0.10 -1.44 -0.04 0.00 -0.34 0.00 0.00 43.02 41.11 1sm9 s PHE 111 CO -0.10 -0.58 -0.10 -0.51 -1.46 0.00 0.00 175.22 172.47 1sm9 s LEU 112 N 1.47 3.00 -0.33 6.12 1.43 -0.61 -2.30 118.68 127.47 1sm9 s LEU 112 Ca 0.03 -0.33 -0.29 0.00 -1.03 0.00 0.00 54.13 52.51 1sm9 s LEU 112 Cb -0.13 -1.78 0.01 0.00 0.03 0.00 0.00 46.19 44.32 1sm9 s LEU 112 CO -0.08 0.22 1.23 -0.63 0.23 0.00 0.00 176.35 177.32 1sm9 s ILE 113 N -1.11 4.23 0.15 -0.59 1.01 -0.88 -0.23 121.20 123.78 1sm9 s ILE 113 Ca 0.19 1.38 -0.17 0.00 0.00 0.00 0.00 60.65 62.05 1sm9 s ILE 113 Cb -0.11 -4.27 0.01 0.00 0.01 0.00 0.00 42.46 38.10 1sm9 s ILE 113 CO 0.11 -0.55 1.76 -0.74 0.00 0.00 0.00 174.94 175.52 1sm9 h HIS 114 N 9.05 0.25 -3.56 3.97 2.76 -1.72 -0.67 115.15 125.23 1sm9 h HIS 114 Ca -0.24 0.02 -0.16 0.00 -2.20 0.00 0.00 60.37 57.78 1sm9 h HIS 114 Cb 1.08 -0.06 -0.22 0.00 1.55 0.00 0.00 27.41 29.76 1sm9 h HIS 114 CO 0.88 0.12 -0.54 -0.06 -1.30 0.00 0.00 177.93 177.03 1sm9 s PHE 115 N -6.16 0.03 -1.37 5.26 0.08 -1.26 -4.22 117.98 110.34 1sm9 s PHE 115 Ca -0.13 -0.08 -0.08 0.00 0.12 0.00 0.00 56.93 56.76 1sm9 s PHE 115 Cb 0.11 -0.05 -0.04 0.00 -0.57 0.00 0.00 43.02 42.48 1sm9 s PHE 115 CO 0.71 -0.22 2.85 -0.35 -0.10 0.00 0.00 175.22 178.11 1sm9 n PRO 116 N 1.86 3.78 -4.05 0.24 -0.04 -1.26 -4.77 135.00 130.77 1sm9 n PRO 116 Ca -0.20 -2.48 -0.15 0.00 -0.04 0.00 0.00 63.50 60.63 1sm9 n PRO 116 Cb 0.56 -2.66 -0.15 0.00 -0.04 0.00 0.00 33.50 31.21 1sm9 n PRO 116 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1sm9 s ILE 117 N 0.95 0.27 -0.48 0.52 1.01 -1.26 -5.01 121.20 117.20 1sm9 s ILE 117 Ca 0.65 -0.11 0.02 0.00 0.00 0.00 0.00 60.65 61.21 1sm9 s ILE 117 Cb 0.20 -0.25 0.12 0.00 0.01 0.00 0.00 42.46 42.54 1sm9 s ILE 117 CO -0.07 0.09 0.22 0.00 0.00 0.00 0.00 174.94 175.19 1sm9 s ALA 118 N 0.12 3.22 0.70 9.38 0.00 -1.26 -4.56 121.76 129.36 1sm9 s ALA 118 Ca -0.01 -3.01 -0.12 0.00 0.00 0.00 0.00 51.96 48.82 1sm9 s ALA 118 Cb -0.04 -2.20 0.01 0.00 0.00 0.00 0.00 23.12 20.89 1sm9 s ALA 118 CO -0.00 -1.92 1.07 -0.06 0.00 0.00 0.00 175.76 174.85 1sm9 s PHE 119 N 0.19 2.91 0.24 0.00 0.08 0.60 -1.06 117.98 120.94 1sm9 s PHE 119 Ca 0.15 1.48 -0.31 0.00 0.12 0.00 0.00 56.93 58.37 1sm9 s PHE 119 Cb -0.23 -2.97 -0.11 0.00 -0.57 0.00 0.00 43.02 39.14 1sm9 s PHE 119 CO -0.03 -1.40 1.62 0.21 -0.10 0.00 0.00 175.22 175.52 1sm9 s LYS 120 N -4.78 4.16 0.48 0.44 2.47 0.20 -4.36 119.74 118.36 1sm9 s LYS 120 Ca 0.60 2.52 -0.24 0.00 -1.56 0.00 0.00 55.97 57.29 1sm9 s LYS 120 Cb -0.16 -3.07 -0.07 0.00 -1.46 0.00 0.00 37.83 33.07 1sm9 s LYS 120 CO 0.51 -0.65 1.32 0.34 0.16 0.00 0.00 175.35 177.04 1sm9 n PHE 121 N 3.13 2.25 -3.81 4.03 7.35 -1.25 -4.73 117.46 124.43 1sm9 n PHE 121 Ca 0.12 0.46 -0.21 0.00 -0.76 0.00 0.00 57.45 57.06 1sm9 n PHE 121 Cb 0.37 -2.38 -0.17 0.00 0.35 0.00 0.00 39.48 37.65 1sm9 n PHE 121 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 1sm9 s VAL 122 N -1.25 0.24 0.51 -2.13 1.01 -1.26 -4.79 120.40 112.73 1sm9 s VAL 122 Ca 0.65 0.16 -0.22 0.00 0.00 0.00 0.00 61.98 62.58 1sm9 s VAL 122 Cb -0.46 -0.39 -0.07 0.00 0.00 0.00 0.00 36.38 35.46 1sm9 s VAL 122 CO 0.54 0.21 1.14 -2.65 0.00 0.00 0.00 175.10 174.35 1sm9 n PRO 123 N 4.88 1.42 -0.18 2.72 -0.02 -1.26 -4.86 135.00 137.70 1sm9 n PRO 123 Ca -0.12 0.52 0.01 0.00 -2.02 0.00 0.00 63.50 61.90 1sm9 n PRO 123 Cb 0.50 -2.29 0.28 0.00 -0.02 0.00 0.00 33.50 31.97 1sm9 n PRO 123 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1sm9 h ILE 124 N 1.30 1.17 -0.25 4.25 2.04 -2.00 -1.19 117.51 122.84 1sm9 h ILE 124 Ca -0.48 -0.32 -0.07 0.00 1.00 0.00 0.00 64.86 64.99 1sm9 h ILE 124 Cb 1.33 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 1sm9 h ILE 124 CO 0.56 0.17 -0.14 -0.33 0.00 0.00 0.00 178.15 178.41 1sm9 h GLU 125 N 0.94 0.43 0.01 2.37 3.07 -2.01 -3.12 114.58 116.26 1sm9 h GLU 125 Ca 0.26 -0.12 -0.00 0.00 -0.50 0.00 0.00 59.36 58.99 1sm9 h GLU 125 Cb -0.10 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 27.76 1sm9 h GLU 125 CO -0.06 0.57 -0.01 1.49 -1.40 0.00 0.00 179.01 179.60 1sm9 h GLU 126 N 0.39 -0.02 -2.05 2.33 4.57 -1.57 -3.45 114.58 114.79 1sm9 h GLU 126 Ca 0.07 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.26 1sm9 h GLU 126 Cb 0.49 0.00 -0.21 0.00 -0.16 0.00 0.00 28.75 28.87 1sm9 h GLU 126 CO 0.03 0.28 0.01 0.21 -1.18 0.00 0.00 179.01 178.36 1sm9 s LYS 127 N -4.99 0.70 -0.21 1.92 2.20 -1.06 -5.06 119.74 113.25 1sm9 s LYS 127 Ca -0.15 1.17 -0.09 0.00 -0.36 0.00 0.00 55.97 56.54 1sm9 s LYS 127 Cb 0.03 0.16 0.08 0.00 -1.51 0.00 0.00 37.83 36.60 1sm9 s LYS 127 CO 0.66 -0.14 0.47 -0.47 -0.36 0.00 0.00 175.35 175.51 1sm9 s TYR 128 N 1.46 -0.82 0.49 4.03 5.04 -1.25 -3.57 117.35 122.73 1sm9 s TYR 128 Ca -0.09 1.60 -0.19 0.00 -2.44 0.00 0.00 57.07 55.95 1sm9 s TYR 128 Cb -0.05 0.38 -0.08 0.00 0.35 0.00 0.00 41.96 42.55 1sm9 s TYR 128 CO -0.17 -0.47 1.01 -1.25 -1.34 0.00 0.00 175.55 173.33 1sm9 s PRO 129 N 2.20 3.87 0.37 4.97 0.04 -1.26 -5.06 135.00 140.12 1sm9 s PRO 129 Ca -0.05 1.21 0.17 0.00 0.04 0.00 0.00 61.00 62.37 1sm9 s PRO 129 Cb -0.10 -2.11 0.67 0.00 0.04 0.00 0.00 34.50 32.99 1sm9 s PRO 129 CO -0.14 -0.35 1.74 -1.00 0.04 0.00 0.00 177.00 177.28 1sm9 h PRO 130 N 1.38 0.00 0.00 0.56 0.13 -1.91 -3.48 132.00 128.68 1sm9 h PRO 130 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1sm9 h PRO 130 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1sm9 h PRO 130 CO 0.60 0.40 0.00 0.41 -0.23 0.00 0.00 178.00 179.18 1sm9 n GLY 131 N 0.14 3.36 0.45 1.56 0.00 -1.26 -0.76 105.19 108.68 1sm9 n GLY 131 Ca -0.01 -0.17 0.09 0.00 0.00 0.00 0.00 46.02 45.93 1sm9 n GLY 131 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1sm9 n PHE 132 N 13.90 0.22 -2.33 1.61 3.72 -1.26 -4.87 117.46 128.45 1sm9 n PHE 132 Ca 0.00 -0.11 -0.42 0.00 -0.05 0.00 0.00 57.45 56.87 1sm9 n PHE 132 Cb 0.00 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.51 1sm9 n PHE 132 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 176.76 176.24 1sm9 s TYR 133 N -1.78 3.23 -0.18 1.38 5.04 0.06 -4.83 117.35 120.27 1sm9 s TYR 133 Ca 0.28 1.11 0.13 0.00 -2.44 0.00 0.00 57.07 56.15 1sm9 s TYR 133 Cb 0.14 -3.53 0.40 0.00 0.35 0.00 0.00 41.96 39.33 1sm9 s TYR 133 CO 0.22 -1.76 1.21 0.00 -1.34 0.00 0.00 175.55 173.87 1sm9 n GLY 135 N -1.02 0.48 2.61 0.00 0.00 -1.26 -4.64 105.19 101.35 1sm9 n GLY 135 Ca 0.17 -0.05 -0.13 0.00 0.00 0.00 0.00 46.02 46.02 1sm9 n GLY 135 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1sm9 n ASP 136 N 0.05 -2.23 0.00 1.61 2.03 -1.26 -5.12 116.55 111.62 1sm9 n ASP 136 Ca -0.00 -2.84 0.00 0.00 0.52 0.00 0.00 54.79 52.47 1sm9 n ASP 136 Cb 0.02 0.95 0.00 0.00 -0.72 0.00 0.00 41.12 41.37 1sm9 n ASP 136 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1sm9 n GLY 137 N 2.48 3.02 0.71 0.27 0.00 -1.26 -1.64 105.19 108.76 1sm9 n GLY 137 Ca 0.19 -0.31 0.10 0.00 0.00 0.00 0.00 46.02 46.01 1sm9 n GLY 137 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1sm9 n ASN 138 N 1.49 2.12 -4.77 1.61 3.02 -1.26 -4.56 115.26 112.91 1sm9 n ASN 138 Ca 0.00 -1.80 -0.39 0.00 -0.03 0.00 0.00 54.58 52.36 1sm9 n ASN 138 Cb 0.00 -0.15 -0.05 0.00 -0.61 0.00 0.00 39.78 38.97 1sm9 n ASN 138 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1sm9 s ASN 139 N -1.50 7.15 0.07 6.41 0.01 -0.65 -5.00 114.94 121.43 1sm9 s ASN 139 Ca 0.33 2.12 -0.21 0.00 -0.71 0.00 0.00 52.86 54.39 1sm9 s ASN 139 Cb 0.18 -2.61 -0.07 0.00 0.41 0.00 0.00 41.25 39.17 1sm9 s ASN 139 CO 0.27 -0.22 0.62 -0.36 -1.51 0.00 0.00 177.10 175.91 1sm9 s PHE 140 N -1.36 3.79 -0.01 2.20 0.40 -1.26 -4.26 117.98 117.47 1sm9 s PHE 140 Ca 0.49 1.33 0.01 0.00 -0.60 0.00 0.00 56.93 58.16 1sm9 s PHE 140 Cb -0.27 -2.59 0.01 0.00 0.51 0.00 0.00 43.02 40.68 1sm9 s PHE 140 CO 0.34 0.50 -0.01 0.08 0.70 0.00 0.00 175.22 176.83 1sm9 s VAL 141 N -0.83 0.19 0.38 -0.44 1.01 -1.26 -5.07 120.40 114.37 1sm9 s VAL 141 Ca 0.31 -0.01 0.08 0.00 0.00 0.00 0.00 61.98 62.36 1sm9 s VAL 141 Cb -0.20 -0.22 -0.05 0.00 0.00 0.00 0.00 36.38 35.91 1sm9 s VAL 141 CO 0.20 0.10 0.11 -0.31 0.00 0.00 0.00 175.10 175.20 1sm9 s TYR 142 N 0.46 2.59 0.10 5.22 2.02 -1.26 0.63 117.35 127.11 1sm9 s TYR 142 Ca -0.04 -0.52 0.09 0.00 -0.37 0.00 0.00 57.07 56.23 1sm9 s TYR 142 Cb -0.07 -1.76 -0.04 0.00 -0.40 0.00 0.00 41.96 39.69 1sm9 s TYR 142 CO -0.01 0.32 -0.24 -1.21 -1.57 0.00 0.00 175.55 172.84 1sm9 s GLU 143 N -3.82 1.32 -1.38 -0.62 2.02 -0.22 -4.53 118.70 111.47 1sm9 s GLU 143 Ca 0.38 -1.21 -0.15 0.00 0.02 0.00 0.00 54.97 54.01 1sm9 s GLU 143 Cb 0.02 -1.66 0.07 0.00 0.10 0.00 0.00 34.13 32.66 1sm9 s GLU 143 CO 0.21 0.40 1.99 -0.25 0.02 0.00 0.00 175.26 177.63 1sm9 n ASP 144 N 1.15 4.41 -4.03 -0.19 9.92 -1.26 -4.76 116.55 121.79 1sm9 n ASP 144 Ca -0.18 -2.90 -0.31 0.00 -0.53 0.00 0.00 54.79 50.87 1sm9 n ASP 144 Cb 0.53 -1.67 -0.15 0.00 -0.64 0.00 0.00 41.12 39.19 1sm9 n ASP 144 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1sm9 s VAL 145 N 3.27 2.31 0.50 2.53 1.01 -1.26 -5.09 120.40 123.66 1sm9 s VAL 145 Ca 0.49 -2.28 -0.23 0.00 0.00 0.00 0.00 61.98 59.96 1sm9 s VAL 145 Cb 0.09 -2.68 -0.07 0.00 0.00 0.00 0.00 36.38 33.73 1sm9 s VAL 145 CO -0.02 -0.56 1.28 -2.65 0.00 0.00 0.00 175.10 173.16 1sm9 n PRO 146 N 4.28 1.73 -0.29 2.72 -0.02 -1.26 -4.87 135.00 137.30 1sm9 n PRO 146 Ca 0.02 0.63 0.10 0.00 -2.02 0.00 0.00 63.50 62.23 1sm9 n PRO 146 Cb 0.42 -2.45 0.24 0.00 -0.02 0.00 0.00 33.50 31.69 1sm9 n PRO 146 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1sm9 h ILE 147 N 1.64 0.29 -0.64 4.25 1.08 -1.98 -1.79 117.51 120.36 1sm9 h ILE 147 Ca -0.49 -0.05 0.03 0.00 -0.39 0.00 0.00 64.86 63.95 1sm9 h ILE 147 Cb 1.30 0.13 -0.04 0.00 -3.07 0.00 0.00 36.82 35.15 1sm9 h ILE 147 CO 0.58 0.03 0.43 0.25 -0.69 0.00 0.00 178.15 178.74 1sm9 h LEU 148 N 0.15 0.68 -0.49 1.44 5.85 -1.98 0.19 115.31 121.14 1sm9 h LEU 148 Ca 0.51 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 59.21 1sm9 h LEU 148 Cb 0.99 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.83 1sm9 h LEU 148 CO -0.69 0.47 0.26 -0.33 -0.34 0.00 0.00 178.44 177.81 1sm9 h GLU 149 N 0.79 0.68 -0.52 1.25 4.39 -1.68 0.80 114.58 120.29 1sm9 h GLU 149 Ca 0.25 -0.08 -0.02 0.00 0.34 0.00 0.00 59.36 59.84 1sm9 h GLU 149 Cb 0.04 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.53 1sm9 h GLU 149 CO -0.07 0.55 0.24 1.15 -1.16 0.00 0.00 179.01 179.71 1sm9 h THR 150 N 0.64 1.20 0.07 1.13 2.02 -1.31 -2.15 112.91 114.52 1sm9 h THR 150 Ca 0.17 -0.60 0.01 0.00 0.77 0.00 0.00 66.41 66.76 1sm9 h THR 150 Cb 0.07 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 1sm9 h THR 150 CO -0.03 0.23 -0.09 -0.25 0.37 0.00 0.00 175.52 175.76 1sm9 h TRP 151 N 0.70 -0.22 -0.89 3.16 2.91 -0.47 -1.36 115.95 119.78 1sm9 h TRP 151 Ca 0.18 0.00 0.10 0.00 1.13 0.00 0.00 58.89 60.30 1sm9 h TRP 151 Cb 0.15 0.09 -0.07 0.00 -0.51 0.00 0.00 29.16 28.82 1sm9 h TRP 151 CO -0.00 -0.13 0.58 0.87 -1.03 0.00 0.00 178.44 178.72 1sm9 h LYS 152 N -0.18 0.85 -0.29 2.65 1.57 -0.76 0.28 116.57 120.69 1sm9 h LYS 152 Ca 0.01 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.68 1sm9 h LYS 152 Cb 0.19 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 1sm9 h LYS 152 CO -0.03 0.56 -0.07 0.00 -0.57 0.00 0.00 179.45 179.34 1sm9 h ALA 153 N 1.56 1.35 -0.07 3.86 0.00 -0.79 -0.53 119.26 124.63 1sm9 h ALA 153 Ca 0.42 -0.23 -0.15 0.00 0.00 0.00 0.00 54.91 54.94 1sm9 h ALA 153 Cb 0.43 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1sm9 h ALA 153 CO -0.18 0.45 -0.64 -0.07 0.00 0.00 0.00 179.25 178.81 1sm9 h LEU 154 N 0.44 0.30 -0.68 0.00 3.38 0.49 -2.51 115.31 116.73 1sm9 h LEU 154 Ca 0.09 -0.18 -0.12 0.00 0.09 0.00 0.00 57.88 57.76 1sm9 h LEU 154 Cb 0.40 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1sm9 h LEU 154 CO 0.02 0.86 -0.29 -0.33 0.09 0.00 0.00 178.44 178.79 1sm9 h GLU 155 N 0.19 0.71 -0.64 1.13 5.08 0.11 -2.00 114.58 119.17 1sm9 h GLU 155 Ca -0.01 -0.31 -0.06 0.00 -1.00 0.00 0.00 59.36 57.98 1sm9 h GLU 155 Cb 1.16 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.36 1sm9 h GLU 155 CO 0.10 0.91 0.17 -0.22 -1.00 0.00 0.00 179.01 178.97 1sm9 h LYS 156 N 0.61 0.99 0.00 2.33 3.64 -0.96 -2.22 116.57 120.96 1sm9 h LYS 156 Ca 0.07 -0.21 -0.04 0.00 -1.27 0.00 0.00 60.65 59.20 1sm9 h LYS 156 Cb 0.80 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.47 1sm9 h LYS 156 CO 0.07 0.87 -0.19 -0.07 -2.27 0.00 0.00 179.45 177.86 1sm9 h LEU 157 N 0.95 0.00 -0.37 5.20 3.38 -1.17 -1.09 115.31 122.21 1sm9 h LEU 157 Ca 0.20 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.99 1sm9 h LEU 157 Cb 0.32 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 1sm9 h LEU 157 CO -0.00 0.19 -0.73 0.58 0.09 0.00 0.00 178.44 178.56 1sm9 h VAL 158 N 0.00 1.36 0.00 1.22 2.07 -0.88 -2.29 116.25 117.74 1sm9 h VAL 158 Ca -0.00 -2.11 -0.07 0.00 0.82 0.00 0.00 66.70 65.34 1sm9 h VAL 158 Cb 0.80 2.08 -0.01 0.00 -1.52 0.00 0.00 31.29 32.64 1sm9 h VAL 158 CO 0.02 0.64 -0.32 0.00 0.02 0.00 0.00 177.57 177.93 1sm9 h ALA 159 N 0.88 1.26 0.00 1.67 0.00 -0.85 -1.39 119.26 120.83 1sm9 h ALA 159 Ca -0.03 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1sm9 h ALA 159 Cb 1.31 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1sm9 h ALA 159 CO 0.13 0.41 0.00 0.00 0.00 0.00 0.00 179.25 179.79 1sm9 n ALA 160 N -2.39 2.64 -0.96 0.00 0.00 -0.47 -4.88 120.51 114.46 1sm9 n ALA 160 Ca -0.01 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1sm9 n ALA 160 Cb 0.40 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.36 1sm9 n ALA 160 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sm9 n GLY 161 N 0.92 0.61 0.05 0.00 0.00 -0.52 -4.88 105.19 101.37 1sm9 n GLY 161 Ca 0.23 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.38 1sm9 n GLY 161 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1sm9 n LYS 162 N -2.15 0.26 -3.78 1.61 5.02 -0.89 -4.68 118.16 113.57 1sm9 n LYS 162 Ca 0.00 -0.10 -0.13 0.00 -2.02 0.00 0.00 58.31 56.05 1sm9 n LYS 162 Cb 0.04 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.42 1sm9 n LYS 162 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1sm9 s ILE 163 N -2.81 -0.03 -0.16 -0.18 1.01 -1.21 -1.98 121.20 115.84 1sm9 s ILE 163 Ca 0.18 0.13 -0.27 0.00 0.00 0.00 0.00 60.65 60.69 1sm9 s ILE 163 Cb 0.19 -0.20 -0.24 0.00 0.01 0.00 0.00 42.46 42.22 1sm9 s ILE 163 CO 0.57 0.05 0.59 0.11 0.00 0.00 0.00 174.94 176.27 1sm9 h LYS 164 N 6.85 0.00 -4.55 2.79 1.79 -1.49 -3.40 116.57 118.57 1sm9 h LYS 164 Ca -0.38 -0.00 -0.30 0.00 -2.18 0.00 0.00 60.65 57.79 1sm9 h LYS 164 Cb 1.16 0.00 -0.23 0.00 -1.58 0.00 0.00 32.23 31.58 1sm9 h LYS 164 CO 0.44 1.00 -0.74 -1.12 -1.08 0.00 0.00 179.45 177.94 1sm9 s SER 165 N -6.43 0.84 0.13 0.86 0.01 -0.31 -5.02 113.70 103.78 1sm9 s SER 165 Ca -0.22 -0.42 0.09 0.00 1.31 0.00 0.00 55.95 56.71 1sm9 s SER 165 Cb -0.00 -0.00 -0.04 0.00 0.21 0.00 0.00 66.02 66.19 1sm9 s SER 165 CO 0.66 -0.12 -0.22 0.27 0.41 0.00 0.00 173.24 174.24 1sm9 s ILE 166 N -1.01 1.91 0.00 1.44 -4.36 -1.26 -2.29 121.20 115.62 1sm9 s ILE 166 Ca -0.06 -1.70 0.00 0.00 -0.26 0.00 0.00 60.65 58.63 1sm9 s ILE 166 Cb -0.08 -1.75 0.00 0.00 1.25 0.00 0.00 42.46 41.88 1sm9 s ILE 166 CO 0.00 -0.08 0.00 0.61 0.24 0.00 0.00 174.94 175.72 1sm9 n GLY 167 N 0.84 2.38 3.20 6.27 0.00 -0.97 -0.15 105.19 116.75 1sm9 n GLY 167 Ca -0.17 -1.04 -0.12 0.00 0.00 0.00 0.00 46.02 44.69 1sm9 n GLY 167 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1sm9 s VAL 168 N -2.88 0.81 0.01 1.61 -7.23 -0.22 -2.08 120.40 110.44 1sm9 s VAL 168 Ca 0.00 -1.98 0.02 0.00 -1.81 0.00 0.00 61.98 58.21 1sm9 s VAL 168 Cb 0.00 -1.80 -0.01 0.00 0.56 0.00 0.00 36.38 35.12 1sm9 s VAL 168 CO 0.00 -0.77 -0.06 -0.55 -0.31 0.00 0.00 175.10 173.41 1sm9 s SER 169 N -3.10 0.71 -1.40 4.85 0.15 -0.26 -0.66 113.70 113.99 1sm9 s SER 169 Ca 0.15 -0.28 -0.07 0.00 0.70 0.00 0.00 55.95 56.45 1sm9 s SER 169 Cb 0.05 -0.03 0.01 0.00 -1.71 0.00 0.00 66.02 64.34 1sm9 s SER 169 CO -0.02 -0.04 0.95 0.59 1.20 0.00 0.00 173.24 175.92 1sm9 n ASN 170 N 2.35 -6.20 -4.49 5.45 3.02 -0.11 -4.02 115.26 111.26 1sm9 n ASN 170 Ca -0.17 -0.43 -0.37 0.00 -0.03 0.00 0.00 54.58 53.58 1sm9 n ASN 170 Cb 0.57 -4.89 -0.12 0.00 -0.61 0.00 0.00 39.78 34.73 1sm9 n ASN 170 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1sm9 s PHE 171 N -3.26 3.13 1.01 3.10 0.40 -1.26 -4.40 117.98 116.69 1sm9 s PHE 171 Ca 0.47 -0.27 -0.16 0.00 -0.60 0.00 0.00 56.93 56.37 1sm9 s PHE 171 Cb -0.21 -2.25 0.21 0.00 0.51 0.00 0.00 43.02 41.28 1sm9 s PHE 171 CO 0.58 -0.26 1.24 -1.25 0.70 0.00 0.00 175.22 176.23 1sm9 s PRO 172 N 1.50 0.33 0.10 0.24 0.04 -1.26 -4.79 135.00 131.16 1sm9 s PRO 172 Ca 0.06 -0.20 -0.28 0.00 0.04 0.00 0.00 61.00 60.62 1sm9 s PRO 172 Cb -0.15 -1.79 -0.11 0.00 0.04 0.00 0.00 34.50 32.49 1sm9 s PRO 172 CO 0.05 -2.66 1.64 0.78 0.04 0.00 0.00 177.00 176.85 1sm9 h GLY 173 N -1.82 -0.56 0.55 0.56 0.00 -1.97 -1.89 103.07 97.94 1sm9 h GLY 173 Ca -0.45 0.30 0.11 0.00 0.00 0.00 0.00 47.33 47.29 1sm9 h GLY 173 CO 0.42 -0.23 0.62 0.00 0.00 0.00 0.00 176.54 177.34 1sm9 h ALA 174 N 0.13 1.56 -0.27 3.60 0.00 -1.99 -0.06 119.26 122.24 1sm9 h ALA 174 Ca 0.00 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1sm9 h ALA 174 Cb 0.51 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1sm9 h ALA 174 CO -0.09 0.21 -0.17 1.25 0.00 0.00 0.00 179.25 180.45 1sm9 h LEU 175 N 0.96 0.61 -0.86 0.00 5.85 -1.90 -1.99 115.31 117.99 1sm9 h LEU 175 Ca 0.47 -0.43 -0.06 0.00 0.84 0.00 0.00 57.88 58.70 1sm9 h LEU 175 Cb 0.46 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 1sm9 h LEU 175 CO -0.23 0.92 0.19 0.25 -0.34 0.00 0.00 178.44 179.23 1sm9 h LEU 176 N 0.32 0.97 -0.31 2.25 5.85 -0.83 -1.76 115.31 121.80 1sm9 h LEU 176 Ca 0.05 -0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.60 1sm9 h LEU 176 Cb 0.71 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 1sm9 h LEU 176 CO 0.05 0.91 0.20 0.25 -0.34 0.00 0.00 178.44 179.51 1sm9 h LEU 177 N 0.99 0.34 -0.68 2.25 5.85 -0.85 -1.21 115.31 122.00 1sm9 h LEU 177 Ca 0.22 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.88 1sm9 h LEU 177 Cb 0.31 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 1sm9 h LEU 177 CO -0.01 0.25 0.22 -0.78 -0.34 0.00 0.00 178.44 177.78 1sm9 h ASP 178 N 0.41 0.99 -0.76 1.25 3.58 -1.05 -2.31 116.42 118.53 1sm9 h ASP 178 Ca 0.12 -0.20 -0.00 0.00 0.42 0.00 0.00 57.03 57.36 1sm9 h ASP 178 Cb -0.04 -0.26 -0.04 0.00 1.72 0.00 0.00 39.33 40.72 1sm9 h ASP 178 CO -0.03 0.93 0.46 0.25 -2.88 0.00 0.00 179.24 177.97 1sm9 h LEU 179 N 1.00 0.90 -1.73 2.28 5.85 -1.06 -1.98 115.31 120.56 1sm9 h LEU 179 Ca 0.22 -0.06 0.14 0.00 0.84 0.00 0.00 57.88 59.03 1sm9 h LEU 179 Cb 0.28 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.05 1sm9 h LEU 179 CO -0.01 0.70 0.45 -0.07 -0.34 0.00 0.00 178.44 179.17 1sm9 h LEU 180 N 1.03 0.26 -0.72 2.25 3.38 -0.66 0.17 115.31 121.02 1sm9 h LEU 180 Ca 0.27 0.01 -0.12 0.00 0.09 0.00 0.00 57.88 58.14 1sm9 h LEU 180 Cb -0.05 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1sm9 h LEU 180 CO -0.05 0.14 -0.56 0.03 0.09 0.00 0.00 178.44 178.08 1sm9 h ARG 181 N 0.27 0.00 0.00 1.13 3.08 -1.16 -3.29 114.38 114.42 1sm9 h ARG 181 Ca 0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.37 1sm9 h ARG 181 Cb 0.86 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.91 1sm9 h ARG 181 CO -0.07 0.56 -1.39 0.41 -1.07 0.00 0.00 179.97 178.41 1sm9 n GLY 182 N 0.38 -0.91 3.74 0.04 0.00 -0.03 -4.99 105.19 103.42 1sm9 n GLY 182 Ca -0.01 -0.53 -0.41 0.00 0.00 0.00 0.00 46.02 45.07 1sm9 n GLY 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sm9 s ALA 183 N -3.13 3.40 -0.16 4.61 0.00 0.40 -4.94 121.76 121.94 1sm9 s ALA 183 Ca 0.01 0.89 -0.17 0.00 0.00 0.00 0.00 51.96 52.69 1sm9 s ALA 183 Cb 0.14 -3.37 -0.14 0.00 0.00 0.00 0.00 23.12 19.76 1sm9 s ALA 183 CO 0.84 -0.26 0.19 1.15 0.00 0.00 0.00 175.76 177.68 1sm9 h THR 184 N 3.55 0.73 -3.45 0.00 2.02 -1.91 -3.43 112.91 110.42 1sm9 h THR 184 Ca -0.45 -1.76 -0.60 0.00 0.77 0.00 0.00 66.41 64.38 1sm9 h THR 184 Cb 1.21 1.59 -0.10 0.00 -1.74 0.00 0.00 68.15 69.11 1sm9 h THR 184 CO 0.71 0.25 0.06 -0.63 0.37 0.00 0.00 175.52 176.28 1sm9 s ILE 185 N -2.20 5.05 0.27 3.11 1.01 -1.26 -5.04 121.20 122.14 1sm9 s ILE 185 Ca -0.20 1.08 -0.30 0.00 0.00 0.00 0.00 60.65 61.24 1sm9 s ILE 185 Cb 0.02 -3.90 -0.09 0.00 0.01 0.00 0.00 42.46 38.50 1sm9 s ILE 185 CO 0.44 0.12 1.03 -0.54 0.00 0.00 0.00 174.94 176.00 1sm9 s LYS 186 N 1.90 4.72 -0.03 2.79 -0.14 -1.26 -4.94 119.74 122.78 1sm9 s LYS 186 Ca 0.26 1.67 -0.33 0.00 -1.36 0.00 0.00 55.97 56.22 1sm9 s LYS 186 Cb -0.16 -3.21 -0.11 0.00 -1.68 0.00 0.00 37.83 32.67 1sm9 s LYS 186 CO 0.10 0.33 1.88 -0.35 -0.76 0.00 0.00 175.35 176.55 1sm9 n PRO 187 N 1.29 2.38 0.16 -1.68 -0.04 -1.26 -4.84 135.00 131.01 1sm9 n PRO 187 Ca -0.01 0.87 0.04 0.00 -0.04 0.00 0.00 63.50 64.36 1sm9 n PRO 187 Cb 0.46 -2.74 0.16 0.00 -0.04 0.00 0.00 33.50 31.34 1sm9 n PRO 187 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1sm9 h ALA 188 N 9.26 0.80 -2.81 0.55 0.00 -0.91 -3.43 119.26 122.71 1sm9 h ALA 188 Ca -0.48 -0.40 -0.20 0.00 0.00 0.00 0.00 54.91 53.82 1sm9 h ALA 188 Cb 1.26 -0.07 -0.19 0.00 0.00 0.00 0.00 17.79 18.79 1sm9 h ALA 188 CO 0.94 0.56 -0.71 0.08 0.00 0.00 0.00 179.25 180.12 1sm9 s VAL 189 N -3.22 0.34 -0.20 0.00 1.01 -1.26 -1.01 120.40 116.06 1sm9 s VAL 189 Ca 0.02 -1.25 -0.00 0.00 0.00 0.00 0.00 61.98 60.75 1sm9 s VAL 189 Cb 0.09 -0.77 0.05 0.00 0.00 0.00 0.00 36.38 35.75 1sm9 s VAL 189 CO 0.72 -0.60 -0.03 -0.22 0.00 0.00 0.00 175.10 174.97 1sm9 s LEU 190 N -1.95 1.92 -0.29 3.92 2.96 0.24 -1.05 118.68 124.43 1sm9 s LEU 190 Ca -0.07 -0.92 -0.09 0.00 -0.22 0.00 0.00 54.13 52.84 1sm9 s LEU 190 Cb -0.05 -0.96 -0.02 0.00 0.50 0.00 0.00 46.19 45.67 1sm9 s LEU 190 CO -0.03 -0.23 0.13 -1.58 -1.32 0.00 0.00 176.35 173.32 1sm9 s GLN 191 N 1.58 3.50 0.08 1.98 0.74 0.16 -1.18 119.66 126.52 1sm9 s GLN 191 Ca -0.02 -0.60 -0.01 0.00 0.05 0.00 0.00 55.36 54.77 1sm9 s GLN 191 Cb -0.17 -3.50 -0.04 0.00 1.10 0.00 0.00 33.01 30.40 1sm9 s GLN 191 CO -0.07 -0.32 -0.01 0.14 -0.55 0.00 0.00 175.29 174.48 1sm9 s VAL 192 N 1.63 0.23 0.21 1.34 -7.23 -0.83 -0.93 120.40 114.82 1sm9 s VAL 192 Ca 0.05 -1.85 -0.31 0.00 -1.81 0.00 0.00 61.98 58.06 1sm9 s VAL 192 Cb -0.16 -1.69 -0.10 0.00 0.56 0.00 0.00 36.38 34.98 1sm9 s VAL 192 CO 0.06 -0.83 1.55 -0.70 -0.31 0.00 0.00 175.10 174.87 1sm9 s GLU 193 N -3.95 4.21 -0.20 4.82 2.12 -1.26 -1.54 118.70 122.89 1sm9 s GLU 193 Ca 0.13 2.40 -0.07 0.00 0.36 0.00 0.00 54.97 57.79 1sm9 s GLU 193 Cb 0.08 -3.12 0.09 0.00 0.26 0.00 0.00 34.13 31.45 1sm9 s GLU 193 CO -0.06 -0.57 0.43 -1.58 -0.54 0.00 0.00 175.26 172.93 1sm9 s HIS 194 N 0.66 -0.83 0.01 5.30 2.46 -0.57 -4.81 115.29 117.51 1sm9 s HIS 194 Ca 0.66 1.53 -0.29 0.00 0.47 0.00 0.00 55.06 57.44 1sm9 s HIS 194 Cb -0.44 0.31 0.10 0.00 -0.13 0.00 0.00 32.58 32.42 1sm9 s HIS 194 CO 0.37 -0.50 0.96 -3.38 -2.47 0.00 0.00 174.74 169.72 1sm9 s HIS 195 N 2.62 -0.26 0.66 3.88 -3.43 -1.19 -3.82 115.29 113.75 1sm9 s HIS 195 Ca -0.01 0.09 0.13 0.00 -0.80 0.00 0.00 55.06 54.47 1sm9 s HIS 195 Cb -0.12 0.56 0.65 0.00 -1.43 0.00 0.00 32.58 32.24 1sm9 s HIS 195 CO -0.13 -0.56 1.35 -1.35 -2.00 0.00 0.00 174.74 172.05 1sm9 h PRO 196 N 2.00 0.00 0.00 -0.38 0.11 -1.93 0.26 132.00 132.06 1sm9 h PRO 196 Ca -0.22 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.89 1sm9 h PRO 196 Cb 1.23 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 1sm9 h PRO 196 CO 0.29 0.00 -1.25 0.66 -0.21 0.00 0.00 178.00 177.48 1sm9 n TYR 197 N -2.72 0.75 -3.56 0.65 4.01 -1.26 -2.02 117.16 113.01 1sm9 n TYR 197 Ca 0.01 0.22 -0.27 0.00 -0.16 0.00 0.00 57.90 57.70 1sm9 n TYR 197 Cb 0.82 -0.86 -0.11 0.00 -0.31 0.00 0.00 39.34 38.89 1sm9 n TYR 197 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1sm9 s LEU 198 N -5.18 2.51 0.04 7.72 2.96 0.91 -0.16 118.68 127.48 1sm9 s LEU 198 Ca -0.02 -3.32 0.10 0.00 -0.22 0.00 0.00 54.13 50.66 1sm9 s LEU 198 Cb 0.11 -0.82 -0.22 0.00 0.50 0.00 0.00 46.19 45.75 1sm9 s LEU 198 CO 0.82 -0.14 0.99 1.56 -1.32 0.00 0.00 176.35 178.25 1sm9 h GLN 199 N 5.57 0.00 -6.99 1.98 4.20 -1.78 -3.15 115.11 114.93 1sm9 h GLN 199 Ca 0.23 -0.00 -0.59 0.00 0.06 0.00 0.00 58.65 58.34 1sm9 h GLN 199 Cb 0.86 0.00 -0.19 0.00 0.30 0.00 0.00 27.48 28.45 1sm9 h GLN 199 CO 0.48 0.76 -0.93 1.04 -0.67 0.00 0.00 178.83 179.51 1sm9 n GLN 200 N -3.21 -0.88 -0.32 1.46 6.02 -1.26 -4.81 117.38 114.38 1sm9 n GLN 200 Ca -0.08 0.08 0.14 0.00 -0.01 0.00 0.00 57.00 57.13 1sm9 n GLN 200 Cb 0.99 -3.32 0.37 0.00 1.02 0.00 0.00 30.24 29.30 1sm9 n GLN 200 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 1sm9 h PRO 201 N -1.72 0.67 -0.27 -1.09 0.13 -2.00 -1.45 132.00 126.28 1sm9 h PRO 201 Ca -0.63 -0.04 -0.13 0.00 -0.87 0.00 0.00 66.00 64.32 1sm9 h PRO 201 Cb 1.34 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1sm9 h PRO 201 CO 0.66 0.44 -0.38 0.87 -0.23 0.00 0.00 178.00 179.36 1sm9 h LYS 202 N 0.69 0.62 -0.30 0.86 1.57 -1.99 -0.55 116.57 117.46 1sm9 h LYS 202 Ca 0.54 -0.31 -0.03 0.00 -1.87 0.00 0.00 60.65 58.98 1sm9 h LYS 202 Cb 0.92 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.22 1sm9 h LYS 202 CO -0.30 0.90 0.08 1.25 -0.57 0.00 0.00 179.45 180.80 1sm9 h LEU 203 N 0.51 0.45 -0.51 2.94 5.85 -1.65 0.61 115.31 123.52 1sm9 h LEU 203 Ca 0.05 -0.23 0.02 0.00 0.84 0.00 0.00 57.88 58.56 1sm9 h LEU 203 Cb 0.89 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.77 1sm9 h LEU 203 CO 0.08 0.56 0.32 0.40 -0.34 0.00 0.00 178.44 179.46 1sm9 h ILE 204 N 0.32 1.08 0.14 4.05 1.08 -1.26 -0.69 117.51 122.23 1sm9 h ILE 204 Ca 0.09 -0.22 -0.01 0.00 -0.39 0.00 0.00 64.86 64.34 1sm9 h ILE 204 Cb 0.28 0.39 0.00 0.00 -3.07 0.00 0.00 36.82 34.43 1sm9 h ILE 204 CO 0.00 0.12 -0.07 -0.08 -0.69 0.00 0.00 178.15 177.43 1sm9 h GLU 205 N 0.64 -0.18 0.05 2.37 4.81 -0.88 -0.48 114.58 120.91 1sm9 h GLU 205 Ca 0.20 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.46 1sm9 h GLU 205 Cb -0.02 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 1sm9 h GLU 205 CO -0.07 -0.07 -0.18 0.35 -0.73 0.00 0.00 179.01 178.30 1sm9 h PHE 206 N -0.25 -0.48 -0.42 0.92 3.57 -0.66 0.58 116.94 120.20 1sm9 h PHE 206 Ca -0.02 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.50 1sm9 h PHE 206 Cb 0.19 0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.11 1sm9 h PHE 206 CO -0.05 -0.27 0.26 0.00 -2.23 0.00 0.00 178.31 176.03 1sm9 h ALA 207 N 0.55 0.53 -0.33 2.41 0.00 -1.06 -0.68 119.26 120.68 1sm9 h ALA 207 Ca 0.04 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1sm9 h ALA 207 Cb 0.37 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1sm9 h ALA 207 CO -0.14 -0.05 0.17 1.96 0.00 0.00 0.00 179.25 181.20 1sm9 h GLN 208 N 0.53 0.47 -0.06 0.00 4.20 -0.89 0.51 115.11 119.88 1sm9 h GLN 208 Ca 0.16 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.81 1sm9 h GLN 208 Cb -0.03 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 27.66 1sm9 h GLN 208 CO -0.06 0.42 0.04 -0.22 -0.67 0.00 0.00 178.83 178.34 1sm9 h LYS 209 N 0.41 0.06 -0.00 1.46 3.64 -0.53 0.18 116.57 121.79 1sm9 h LYS 209 Ca 0.12 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1sm9 h LYS 209 Cb 0.10 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.90 1sm9 h LYS 209 CO -0.02 0.04 -0.00 0.00 -2.27 0.00 0.00 179.45 177.20 1sm9 n ALA 210 N -2.53 2.67 -0.86 5.00 0.00 -0.29 -4.88 120.51 119.62 1sm9 n ALA 210 Ca -0.02 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1sm9 n ALA 210 Cb 0.10 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.08 1sm9 n ALA 210 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sm9 n GLY 211 N 1.03 0.53 3.70 0.00 0.00 0.62 -5.03 105.19 106.04 1sm9 n GLY 211 Ca 0.23 -0.37 -0.38 0.00 0.00 0.00 0.00 46.02 45.50 1sm9 n GLY 211 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1sm9 s VAL 212 N -2.00 5.18 0.02 1.61 1.01 0.09 -4.48 120.40 121.83 1sm9 s VAL 212 Ca 0.00 0.90 -0.30 0.00 0.00 0.00 0.00 61.98 62.58 1sm9 s VAL 212 Cb 0.00 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 1sm9 s VAL 212 CO 0.00 0.29 0.98 -0.89 0.00 0.00 0.00 175.10 175.48 1sm9 s THR 213 N 0.89 4.78 -0.18 3.92 2.01 -0.18 -3.70 115.64 123.19 1sm9 s THR 213 Ca 0.24 2.06 -0.20 0.00 0.31 0.00 0.00 61.69 64.10 1sm9 s THR 213 Cb -0.15 -4.32 -0.03 0.00 0.01 0.00 0.00 72.50 68.01 1sm9 s THR 213 CO 0.09 0.19 0.59 -0.63 -0.69 0.00 0.00 174.62 174.18 1sm9 s ILE 214 N 0.79 5.06 -0.19 1.82 -1.09 -1.26 -0.59 121.20 125.74 1sm9 s ILE 214 Ca 0.51 1.13 -0.02 0.00 -2.23 0.00 0.00 60.65 60.04 1sm9 s ILE 214 Cb -0.22 -3.92 -0.00 0.00 -1.58 0.00 0.00 42.46 36.75 1sm9 s ILE 214 CO 0.28 0.17 -0.10 -0.89 -1.23 0.00 0.00 174.94 173.17 1sm9 s THR 215 N 1.58 2.97 0.15 2.92 2.01 -0.33 -0.68 115.64 124.27 1sm9 s THR 215 Ca 0.28 -0.64 -0.17 0.00 0.31 0.00 0.00 61.69 61.47 1sm9 s THR 215 Cb -0.16 -2.31 -0.07 0.00 0.01 0.00 0.00 72.50 69.97 1sm9 s THR 215 CO 0.11 0.47 0.61 0.00 -0.69 0.00 0.00 174.62 175.13 1sm9 s ALA 216 N 1.19 3.53 0.10 7.40 0.00 -0.05 -1.97 121.76 131.94 1sm9 s ALA 216 Ca 0.02 0.01 0.05 0.00 0.00 0.00 0.00 51.96 52.04 1sm9 s ALA 216 Cb -0.14 -2.65 -0.03 0.00 0.00 0.00 0.00 23.12 20.29 1sm9 s ALA 216 CO -0.04 0.40 -0.14 1.52 0.00 0.00 0.00 175.76 177.51 1sm9 s TYR 217 N -1.39 1.29 -1.13 0.00 -0.85 -0.59 -3.81 117.35 110.87 1sm9 s TYR 217 Ca 0.37 -0.52 -0.05 0.00 -0.52 0.00 0.00 57.07 56.35 1sm9 s TYR 217 Cb -0.17 -0.70 0.01 0.00 0.38 0.00 0.00 41.96 41.48 1sm9 s TYR 217 CO 0.20 0.09 0.97 0.43 -1.52 0.00 0.00 175.55 175.72 1sm9 n SER 218 N 0.87 -4.31 0.13 -0.18 7.64 -1.26 -1.51 113.62 114.99 1sm9 n SER 218 Ca -0.18 -0.50 0.19 0.00 1.01 0.00 0.00 58.87 59.39 1sm9 n SER 218 Cb 0.56 -4.48 0.77 0.00 -1.01 0.00 0.00 64.21 60.05 1sm9 n SER 218 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1sm9 h SER 219 N -2.08 0.00 -0.42 6.43 0.02 -1.86 0.29 113.55 115.93 1sm9 h SER 219 Ca -0.50 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 1sm9 h SER 219 Cb 1.31 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.85 1sm9 h SER 219 CO 0.47 0.00 0.00 0.49 -1.14 0.00 0.00 176.83 176.65 1sm9 n PHE 220 N -3.75 1.20 0.00 3.45 0.99 -1.26 -4.69 117.46 113.40 1sm9 n PHE 220 Ca 0.05 -0.44 0.00 0.00 -0.00 0.00 0.00 57.45 57.06 1sm9 n PHE 220 Cb 0.52 -0.27 0.00 0.00 -1.00 0.00 0.00 39.48 38.73 1sm9 n PHE 220 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1sm9 n GLY 221 N 0.66 3.51 0.25 1.37 0.00 0.10 -2.94 105.19 108.13 1sm9 n GLY 221 Ca 0.18 -0.09 0.17 0.00 0.00 0.00 0.00 46.02 46.28 1sm9 n GLY 221 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1sm9 h PRO 222 N 0.00 0.00 -0.55 1.61 0.13 -1.91 -3.32 132.00 127.96 1sm9 h PRO 222 Ca 0.00 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 65.21 1sm9 h PRO 222 Cb 0.00 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.03 1sm9 h PRO 222 CO 0.00 0.00 -0.44 0.37 -0.23 0.00 0.00 178.00 177.70 1sm9 h GLN 223 N 0.00 -0.24 -0.35 0.86 5.75 -1.89 0.81 115.11 120.04 1sm9 h GLN 223 Ca 0.00 0.02 0.02 0.00 -0.15 0.00 0.00 58.65 58.54 1sm9 h GLN 223 Cb 0.19 0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.78 1sm9 h GLN 223 CO 0.00 -0.16 0.24 1.03 -2.65 0.00 0.00 178.83 177.29 1sm9 h SER 224 N -0.25 0.34 0.89 -0.69 0.87 -1.84 -2.93 113.55 109.94 1sm9 h SER 224 Ca 0.17 -0.01 -0.20 0.00 -1.23 0.00 0.00 61.79 60.52 1sm9 h SER 224 Cb 0.57 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 62.41 1sm9 h SER 224 CO -0.67 0.24 -1.19 -0.26 -0.53 0.00 0.00 176.83 174.42 1sm9 h PHE 225 N 0.39 0.00 0.00 2.24 -1.00 -1.30 -3.23 116.94 114.04 1sm9 h PHE 225 Ca 0.14 0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.86 1sm9 h PHE 225 Cb 0.08 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.63 1sm9 h PHE 225 CO -0.00 0.80 -0.28 -0.39 -1.61 0.00 0.00 178.31 176.84 1sm9 h VAL 226 N 0.00 1.12 -0.00 -0.55 -1.51 -0.74 -1.00 116.25 113.57 1sm9 h VAL 226 Ca -0.12 -0.97 -0.01 0.00 -1.23 0.00 0.00 66.70 64.37 1sm9 h VAL 226 Cb 1.72 1.53 -0.00 0.00 -2.13 0.00 0.00 31.29 32.41 1sm9 h VAL 226 CO 0.08 0.27 -0.05 -0.33 -1.23 0.00 0.00 177.57 176.31 1sm9 h GLU 227 N 0.00 0.00 -0.64 5.19 5.08 -1.54 -0.43 114.58 122.24 1sm9 h GLU 227 Ca -0.00 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1sm9 h GLU 227 Cb 0.51 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1sm9 h GLU 227 CO 0.04 0.05 0.00 -1.33 -1.00 0.00 0.00 179.01 176.77 1sm9 n MET 228 N -4.48 3.58 -3.80 2.33 2.81 -0.42 -4.93 117.12 112.20 1sm9 n MET 228 Ca -0.03 -2.41 -0.28 0.00 -1.81 0.00 0.00 57.70 53.17 1sm9 n MET 228 Cb 0.13 -1.91 0.04 0.00 -0.71 0.00 0.00 33.22 30.78 1sm9 n MET 228 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1sm9 n ASN 229 N 0.75 -5.35 -4.71 7.83 5.15 -0.17 -4.94 115.26 113.81 1sm9 n ASN 229 Ca 0.22 -0.69 -0.42 0.00 -0.60 0.00 0.00 54.58 53.08 1sm9 n ASN 229 Cb 0.85 -4.25 -0.03 0.00 -0.53 0.00 0.00 39.78 35.82 1sm9 n ASN 229 CO 0.00 0.00 0.00 -1.58 1.40 0.00 0.00 177.26 177.08 1sm9 s GLN 230 N -6.52 4.55 0.17 1.20 0.74 -0.93 -4.98 119.66 113.90 1sm9 s GLN 230 Ca 0.64 1.36 -0.14 0.00 0.05 0.00 0.00 55.36 57.27 1sm9 s GLN 230 Cb -0.31 -3.46 0.13 0.00 1.10 0.00 0.00 33.01 30.47 1sm9 s GLN 230 CO 0.79 -0.03 1.74 0.78 -0.55 0.00 0.00 175.29 178.02 1sm9 h GLY 231 N 6.75 0.56 0.93 2.59 0.00 -1.92 -0.99 103.07 110.99 1sm9 h GLY 231 Ca -0.41 -0.07 -0.01 0.00 0.00 0.00 0.00 47.33 46.85 1sm9 h GLY 231 CO 0.75 -0.00 -0.14 -0.09 0.00 0.00 0.00 176.54 177.06 1sm9 h ARG 232 N 0.29 -0.34 -0.83 4.80 2.43 -1.97 -1.70 114.38 117.05 1sm9 h ARG 232 Ca 0.21 0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.37 1sm9 h ARG 232 Cb 0.23 0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.82 1sm9 h ARG 232 CO -0.24 -0.23 0.40 0.00 -1.51 0.00 0.00 179.97 178.40 1sm9 h ALA 233 N 0.40 1.06 0.00 2.80 0.00 -1.88 -1.60 119.26 120.05 1sm9 h ALA 233 Ca -0.02 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1sm9 h ALA 233 Cb 0.30 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1sm9 h ALA 233 CO 0.02 0.62 -0.10 -0.07 0.00 0.00 0.00 179.25 179.73 1sm9 h LEU 234 N 1.17 0.00 -0.94 0.00 3.38 -1.01 -0.94 115.31 116.96 1sm9 h LEU 234 Ca 0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1sm9 h LEU 234 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1sm9 h LEU 234 CO -0.04 0.10 0.00 0.59 0.09 0.00 0.00 178.44 179.18 1sm9 n ASN 235 N -4.03 1.43 -4.54 -0.43 3.02 -0.63 -4.87 115.26 105.22 1sm9 n ASN 235 Ca -0.02 -1.63 -0.34 0.00 -0.03 0.00 0.00 54.58 52.55 1sm9 n ASN 235 Cb 0.18 -0.08 -0.11 0.00 -0.61 0.00 0.00 39.78 39.16 1sm9 n ASN 235 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1sm9 s THR 236 N -1.85 4.28 0.19 3.41 2.01 -0.36 -5.06 115.64 118.25 1sm9 s THR 236 Ca 0.33 -0.21 -0.33 0.00 0.31 0.00 0.00 61.69 61.79 1sm9 s THR 236 Cb 0.18 -2.92 -0.13 0.00 0.01 0.00 0.00 72.50 69.64 1sm9 s THR 236 CO 0.27 0.46 1.67 -2.65 -0.69 0.00 0.00 174.62 173.68 1sm9 n PRO 237 N 3.76 2.54 -1.95 4.92 -0.02 -1.26 -4.91 135.00 138.08 1sm9 n PRO 237 Ca -0.17 0.92 -0.37 0.00 -2.02 0.00 0.00 63.50 61.86 1sm9 n PRO 237 Cb 0.52 -2.73 0.04 0.00 -0.02 0.00 0.00 33.50 31.30 1sm9 n PRO 237 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1sm9 s THR 238 N 1.15 2.47 0.27 3.45 -4.23 -1.26 -4.92 115.64 112.57 1sm9 s THR 238 Ca 0.77 0.31 0.07 0.00 -1.18 0.00 0.00 61.69 61.65 1sm9 s THR 238 Cb -0.57 -3.13 -0.00 0.00 1.34 0.00 0.00 72.50 70.13 1sm9 s THR 238 CO 0.35 -0.05 1.64 -0.07 -0.54 0.00 0.00 174.62 175.95 1sm9 h LEU 239 N 1.05 0.20 -1.89 4.79 3.38 -1.91 -2.68 115.31 118.25 1sm9 h LEU 239 Ca -0.51 -0.10 0.03 0.00 0.09 0.00 0.00 57.88 57.40 1sm9 h LEU 239 Cb 1.30 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 1sm9 h LEU 239 CO 0.56 0.68 0.15 -0.26 0.09 0.00 0.00 178.44 179.66 1sm9 h PHE 240 N 0.14 0.14 -0.02 1.13 0.05 -1.91 -2.26 116.94 114.22 1sm9 h PHE 240 Ca 0.00 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.80 1sm9 h PHE 240 Cb 0.97 -0.05 0.00 0.00 2.00 0.00 0.00 35.95 38.87 1sm9 h PHE 240 CO 0.01 0.08 -0.05 0.00 -0.18 0.00 0.00 178.31 178.17 1sm9 n ALA 241 N -2.54 2.58 -1.86 2.45 0.00 -1.14 -4.66 120.51 115.35 1sm9 n ALA 241 Ca 0.01 -0.62 -0.42 0.00 0.00 0.00 0.00 53.44 52.41 1sm9 n ALA 241 Cb 0.19 -0.59 -0.03 0.00 0.00 0.00 0.00 19.45 19.03 1sm9 n ALA 241 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1sm9 s HIS 242 N -1.52 2.90 0.31 0.00 5.04 -0.85 -4.79 115.29 116.38 1sm9 s HIS 242 Ca 0.19 0.48 0.07 0.00 -1.54 0.00 0.00 55.06 54.26 1sm9 s HIS 242 Cb 0.14 -4.01 0.83 0.00 0.04 0.00 0.00 32.58 29.58 1sm9 s HIS 242 CO 0.25 -3.81 1.71 -0.44 -2.34 0.00 0.00 174.74 170.11 1sm9 h ASP 243 N 7.05 0.53 -0.53 9.88 3.32 -1.92 0.31 116.42 135.06 1sm9 h ASP 243 Ca -0.43 0.15 -0.08 0.00 0.02 0.00 0.00 57.03 56.69 1sm9 h ASP 243 Cb 1.20 0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.81 1sm9 h ASP 243 CO 0.93 0.05 0.01 0.74 -1.72 0.00 0.00 179.24 179.26 1sm9 h THR 244 N 0.50 1.26 -0.13 0.35 2.02 -1.95 0.26 112.91 115.22 1sm9 h THR 244 Ca 0.61 -1.08 -0.10 0.00 0.77 0.00 0.00 66.41 66.61 1sm9 h THR 244 Cb 1.17 0.91 0.00 0.00 -1.74 0.00 0.00 68.15 68.50 1sm9 h THR 244 CO -0.50 0.38 -0.32 0.40 0.37 0.00 0.00 175.52 175.85 1sm9 h ILE 245 N 0.80 1.37 -0.48 3.11 1.08 -1.29 -1.95 117.51 120.14 1sm9 h ILE 245 Ca 0.15 -1.61 -0.01 0.00 -0.39 0.00 0.00 64.86 63.01 1sm9 h ILE 245 Cb 0.51 2.05 -0.02 0.00 -3.07 0.00 0.00 36.82 36.29 1sm9 h ILE 245 CO 0.02 0.48 0.28 0.11 -0.69 0.00 0.00 178.15 178.35 1sm9 h LYS 246 N 0.06 0.66 -0.15 2.37 1.57 -0.43 0.13 116.57 120.79 1sm9 h LYS 246 Ca -0.00 -0.07 0.04 0.00 -1.87 0.00 0.00 60.65 58.75 1sm9 h LYS 246 Cb 0.93 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 33.06 1sm9 h LYS 246 CO 0.07 0.50 -0.11 0.00 -0.57 0.00 0.00 179.45 179.34 1sm9 h ALA 247 N 1.13 0.01 -0.28 3.86 0.00 -0.45 -0.59 119.26 122.93 1sm9 h ALA 247 Ca 0.17 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 55.03 1sm9 h ALA 247 Cb 0.02 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1sm9 h ALA 247 CO -0.03 -0.55 -0.29 0.82 0.00 0.00 0.00 179.25 179.20 1sm9 h ILE 248 N -0.11 1.28 -0.71 0.00 2.04 -1.13 -1.85 117.51 117.03 1sm9 h ILE 248 Ca 0.09 -1.37 -0.05 0.00 1.00 0.00 0.00 64.86 64.53 1sm9 h ILE 248 Cb 0.25 1.37 -0.03 0.00 -0.74 0.00 0.00 36.82 37.67 1sm9 h ILE 248 CO -0.22 0.44 0.24 0.00 0.00 0.00 0.00 178.15 178.61 1sm9 h ALA 249 N 1.19 1.07 -0.28 1.87 0.00 -0.15 -2.80 119.26 120.17 1sm9 h ALA 249 Ca 0.06 -0.21 -0.16 0.00 0.00 0.00 0.00 54.91 54.61 1sm9 h ALA 249 Cb 0.75 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1sm9 h ALA 249 CO 0.06 0.64 -0.43 0.00 0.00 0.00 0.00 179.25 179.51 1sm9 h ALA 250 N 1.20 0.43 0.00 0.00 0.00 -0.95 0.15 119.26 120.08 1sm9 h ALA 250 Ca 0.23 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1sm9 h ALA 250 Cb 0.27 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1sm9 h ALA 250 CO -0.01 0.56 0.06 -0.22 0.00 0.00 0.00 179.25 179.64 1sm9 h LYS 251 N 0.54 0.00 -0.00 0.00 3.64 -1.09 -2.40 116.57 117.27 1sm9 h LYS 251 Ca 0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1sm9 h LYS 251 Cb 1.03 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.85 1sm9 h LYS 251 CO 0.10 0.00 -0.00 0.66 -2.27 0.00 0.00 179.45 177.94 1sm9 n TYR 252 N -2.97 0.00 -2.99 1.91 4.01 -1.08 -5.01 117.16 111.03 1sm9 n TYR 252 Ca -0.03 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.59 1sm9 n TYR 252 Cb 0.12 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.20 1sm9 n TYR 252 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1sm9 n ASN 253 N -0.72 -3.53 -4.51 7.72 3.02 -0.30 -5.05 115.26 111.88 1sm9 n ASN 253 Ca 0.00 -0.32 -0.24 0.00 -0.03 0.00 0.00 54.58 53.99 1sm9 n ASN 253 Cb 0.00 -3.03 -0.11 0.00 -0.61 0.00 0.00 39.78 36.03 1sm9 n ASN 253 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1sm9 s LYS 254 N -5.36 1.79 0.43 3.52 -0.14 0.36 -5.03 119.74 115.31 1sm9 s LYS 254 Ca 0.20 -2.01 -0.08 0.00 -1.36 0.00 0.00 55.97 52.73 1sm9 s LYS 254 Cb -0.09 -1.17 -0.05 0.00 -1.68 0.00 0.00 37.83 34.84 1sm9 s LYS 254 CO 0.40 -0.15 0.76 0.95 -0.76 0.00 0.00 175.35 176.56 1sm9 s THR 255 N -3.06 4.86 0.30 2.17 -4.23 -1.26 -4.38 115.64 110.03 1sm9 s THR 255 Ca 0.35 0.37 0.03 0.00 -1.18 0.00 0.00 61.69 61.27 1sm9 s THR 255 Cb 0.09 -3.79 0.29 0.00 1.34 0.00 0.00 72.50 70.43 1sm9 s THR 255 CO 0.16 -0.65 1.82 -0.65 -0.54 0.00 0.00 174.62 174.76 1sm9 h PRO 256 N 0.82 0.87 -0.75 3.99 0.11 -1.88 -0.76 132.00 134.41 1sm9 h PRO 256 Ca -0.47 -0.05 0.05 0.00 0.11 0.00 0.00 66.00 65.64 1sm9 h PRO 256 Cb 1.20 -0.20 -0.05 0.00 0.11 0.00 0.00 31.00 32.05 1sm9 h PRO 256 CO 0.63 0.58 0.45 0.00 -0.21 0.00 0.00 178.00 179.45 1sm9 h ALA 257 N 1.58 1.00 -0.85 -0.75 0.00 -1.94 0.11 119.26 118.41 1sm9 h ALA 257 Ca 0.52 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.40 1sm9 h ALA 257 Cb 0.65 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 1sm9 h ALA 257 CO -0.30 0.18 0.42 0.93 0.00 0.00 0.00 179.25 180.48 1sm9 h GLU 258 N 0.84 1.22 -0.38 0.00 5.08 -1.51 -1.57 114.58 118.25 1sm9 h GLU 258 Ca 0.32 -0.17 -0.08 0.00 -1.00 0.00 0.00 59.36 58.43 1sm9 h GLU 258 Cb 0.13 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 1sm9 h GLU 258 CO -0.16 0.93 -0.07 0.28 -1.00 0.00 0.00 179.01 178.99 1sm9 h VAL 259 N 1.21 1.27 -0.99 3.13 2.07 -0.96 0.52 116.25 122.52 1sm9 h VAL 259 Ca 0.29 -1.13 0.02 0.00 0.82 0.00 0.00 66.70 66.70 1sm9 h VAL 259 Cb 0.10 1.23 -0.05 0.00 -1.52 0.00 0.00 31.29 31.05 1sm9 h VAL 259 CO -0.04 0.38 0.65 -0.07 0.02 0.00 0.00 177.57 178.51 1sm9 h LEU 260 N 0.53 1.11 -0.01 2.57 3.38 -0.59 -0.17 115.31 122.12 1sm9 h LEU 260 Ca 0.10 -0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.91 1sm9 h LEU 260 Cb 0.58 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 41.07 1sm9 h LEU 260 CO 0.03 0.78 -0.54 -0.07 0.09 0.00 0.00 178.44 178.73 1sm9 h LEU 261 N 1.30 0.50 -0.92 1.67 3.38 -1.18 -3.26 115.31 116.79 1sm9 h LEU 261 Ca 0.38 -0.75 0.05 0.00 0.09 0.00 0.00 57.88 57.65 1sm9 h LEU 261 Cb -0.08 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.46 1sm9 h LEU 261 CO -0.10 1.18 0.59 -0.09 0.09 0.00 0.00 178.44 180.11 1sm9 h ARG 262 N -0.13 1.09 -1.00 1.13 9.65 -0.70 -0.67 114.38 123.76 1sm9 h ARG 262 Ca -0.06 -0.07 0.21 0.00 -1.10 0.00 0.00 59.98 58.96 1sm9 h ARG 262 Cb 1.25 -0.25 -0.11 0.00 -1.39 0.00 0.00 29.97 29.48 1sm9 h ARG 262 CO 0.11 0.72 0.61 2.35 2.80 0.00 0.00 179.97 186.56 1sm9 h TRP 263 N 1.12 0.98 0.00 2.20 7.01 -1.07 0.15 115.95 126.34 1sm9 h TRP 263 Ca 0.38 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.40 1sm9 h TRP 263 Cb 0.07 -0.29 -0.00 0.00 -2.10 0.00 0.00 29.16 26.83 1sm9 h TRP 263 CO -0.01 0.18 -0.08 0.00 -2.79 0.00 0.00 178.44 175.74 1sm9 h ALA 264 N 1.66 0.02 -0.58 2.65 0.00 -1.33 -3.37 119.26 118.30 1sm9 h ALA 264 Ca 0.58 -0.47 0.07 0.00 0.00 0.00 0.00 54.91 55.10 1sm9 h ALA 264 Cb 1.04 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.82 1sm9 h ALA 264 CO -0.37 0.05 0.25 0.00 0.00 0.00 0.00 179.25 179.18 1sm9 h ALA 265 N -0.19 0.75 0.00 0.00 0.00 -0.57 -0.09 119.26 119.16 1sm9 h ALA 265 Ca -0.02 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1sm9 h ALA 265 Cb 0.86 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1sm9 h ALA 265 CO -0.01 -0.13 0.00 0.94 0.00 0.00 0.00 179.25 180.04 1sm9 n GLN 266 N -4.93 0.02 -0.35 0.00 7.27 0.47 -0.55 117.38 119.30 1sm9 n GLN 266 Ca 0.07 0.37 0.08 0.00 0.07 0.00 0.00 57.00 57.58 1sm9 n GLN 266 Cb 0.22 -1.50 0.22 0.00 2.41 0.00 0.00 30.24 31.59 1sm9 n GLN 266 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 1sm9 n ARG 267 N -1.40 2.91 -0.99 3.69 1.74 -0.07 -4.95 116.66 117.59 1sm9 n ARG 267 Ca 0.01 -2.57 0.00 0.00 -0.77 0.00 0.00 57.85 54.51 1sm9 n ARG 267 Cb 0.03 -1.65 0.00 0.00 -1.02 0.00 0.00 32.46 29.81 1sm9 n ARG 267 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1sm9 n GLY 268 N -0.17 0.46 3.69 -0.13 0.00 0.29 -5.03 105.19 104.30 1sm9 n GLY 268 Ca 0.18 -0.36 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 1sm9 n GLY 268 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sm9 s ILE 269 N -2.00 5.28 0.52 -0.61 1.01 -1.04 -4.63 121.20 119.74 1sm9 s ILE 269 Ca 0.00 0.51 -0.20 0.00 0.00 0.00 0.00 60.65 60.95 1sm9 s ILE 269 Cb 0.00 -3.63 -0.06 0.00 0.01 0.00 0.00 42.46 38.77 1sm9 s ILE 269 CO 0.00 0.32 1.14 0.00 0.00 0.00 0.00 174.94 176.40 1sm9 s ALA 270 N 0.97 2.77 0.07 9.38 0.00 0.14 -3.60 121.76 131.50 1sm9 s ALA 270 Ca 0.15 0.86 0.06 0.00 0.00 0.00 0.00 51.96 53.02 1sm9 s ALA 270 Cb -0.14 -3.37 -0.03 0.00 0.00 0.00 0.00 23.12 19.59 1sm9 s ALA 270 CO 0.05 -0.74 -0.16 0.14 0.00 0.00 0.00 175.76 175.06 1sm9 s VAL 271 N -1.71 1.24 -0.40 0.00 -7.23 0.16 -0.88 120.40 111.60 1sm9 s VAL 271 Ca 0.70 -1.28 0.12 0.00 -1.81 0.00 0.00 61.98 59.71 1sm9 s VAL 271 Cb -0.25 -1.16 0.39 0.00 0.56 0.00 0.00 36.38 35.91 1sm9 s VAL 271 CO 0.29 -0.13 0.87 2.30 -0.31 0.00 0.00 175.10 178.12 1sm9 n ILE 272 N 1.39 0.99 -1.65 -0.62 -5.35 -1.25 -0.50 119.36 112.37 1sm9 n ILE 272 Ca -0.20 -4.34 -0.42 0.00 -0.27 0.00 0.00 62.75 57.52 1sm9 n ILE 272 Cb 0.54 -0.29 -0.00 0.00 -1.74 0.00 0.00 39.64 38.15 1sm9 n ILE 272 CO 0.00 0.00 0.00 -0.81 -1.76 0.00 0.00 176.55 173.98 1sm9 n PRO 273 N 0.01 1.72 -2.89 6.28 -0.04 -1.24 -3.07 135.00 135.77 1sm9 n PRO 273 Ca 0.23 0.61 -0.43 0.00 -0.04 0.00 0.00 63.50 63.87 1sm9 n PRO 273 Cb 0.66 -2.15 -0.05 0.00 -0.04 0.00 0.00 33.50 31.93 1sm9 n PRO 273 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1sm9 s ARG 274 N -1.88 3.39 -0.30 0.54 6.06 -1.26 -2.14 118.95 123.36 1sm9 s ARG 274 Ca 0.59 -0.15 -0.14 0.00 -2.50 0.00 0.00 55.73 53.53 1sm9 s ARG 274 Cb -0.59 -3.99 -0.03 0.00 0.06 0.00 0.00 34.95 30.40 1sm9 s ARG 274 CO 0.60 -1.29 0.34 -1.12 -2.50 0.00 0.00 175.30 171.33 1sm9 s SER 275 N 2.46 6.18 0.00 -2.12 0.01 -1.26 -4.94 113.70 114.02 1sm9 s SER 275 Ca 0.31 0.01 0.12 0.00 1.31 0.00 0.00 55.95 57.71 1sm9 s SER 275 Cb -0.12 -2.19 -0.09 0.00 0.21 0.00 0.00 66.02 63.83 1sm9 s SER 275 CO 0.22 -0.23 0.58 -0.90 0.41 0.00 0.00 173.24 173.32 1sm9 n ASP 276 N 5.31 0.81 -4.10 2.44 5.75 -1.26 -4.86 116.55 120.64 1sm9 n ASP 276 Ca -0.10 -0.91 -0.21 0.00 -0.01 0.00 0.00 54.79 53.56 1sm9 n ASP 276 Cb 0.50 0.85 -0.15 0.00 -1.03 0.00 0.00 41.12 41.29 1sm9 n ASP 276 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1sm9 s LEU 277 N -2.35 2.05 0.27 -2.12 1.43 -1.26 -5.04 118.68 111.65 1sm9 s LEU 277 Ca 0.06 -0.26 -0.01 0.00 -1.03 0.00 0.00 54.13 52.89 1sm9 s LEU 277 Cb 0.10 -0.65 0.60 0.00 0.03 0.00 0.00 46.19 46.26 1sm9 s LEU 277 CO 0.45 0.14 1.67 -0.65 0.23 0.00 0.00 176.35 178.19 1sm9 h PRO 278 N 5.70 0.27 -0.42 1.29 0.11 -1.98 0.34 132.00 137.30 1sm9 h PRO 278 Ca -0.34 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.74 1sm9 h PRO 278 Cb 1.17 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 1sm9 h PRO 278 CO 0.48 0.18 0.22 0.93 -0.21 0.00 0.00 178.00 179.61 1sm9 h GLU 279 N 0.28 0.57 0.09 1.05 3.07 -2.00 -1.63 114.58 116.01 1sm9 h GLU 279 Ca 0.49 -0.05 -0.25 0.00 -0.50 0.00 0.00 59.36 59.05 1sm9 h GLU 279 Cb 0.92 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 28.70 1sm9 h GLU 279 CO -0.57 0.43 -1.16 0.00 -1.40 0.00 0.00 179.01 176.31 1sm9 h ARG 280 N 0.58 0.20 -0.42 2.33 3.08 -1.05 -2.01 114.38 117.10 1sm9 h ARG 280 Ca 0.15 -0.33 0.07 0.00 0.07 0.00 0.00 59.98 59.94 1sm9 h ARG 280 Cb 0.03 0.12 -0.06 0.00 0.08 0.00 0.00 29.97 30.14 1sm9 h ARG 280 CO -0.02 1.15 0.08 1.25 -1.07 0.00 0.00 179.97 181.36 1sm9 h LEU 281 N 0.06 0.01 -0.02 3.04 5.85 0.40 0.33 115.31 124.98 1sm9 h LEU 281 Ca -0.10 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 1sm9 h LEU 281 Cb 1.89 0.10 0.00 0.00 0.37 0.00 0.00 40.66 43.02 1sm9 h LEU 281 CO 0.18 0.04 -0.05 0.58 -0.34 0.00 0.00 178.44 178.86 1sm9 h VAL 282 N 0.22 1.44 -0.62 1.05 2.07 -1.38 -3.26 116.25 115.76 1sm9 h VAL 282 Ca 0.20 -1.36 -0.01 0.00 0.82 0.00 0.00 66.70 66.35 1sm9 h VAL 282 Cb 0.25 2.30 -0.03 0.00 -1.52 0.00 0.00 31.29 32.29 1sm9 h VAL 282 CO -0.27 0.36 0.36 1.56 0.02 0.00 0.00 177.57 179.60 1sm9 h GLN 283 N -0.46 0.84 0.00 1.57 4.20 -1.16 -2.20 115.11 117.89 1sm9 h GLN 283 Ca 0.00 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.63 1sm9 h GLN 283 Cb 0.62 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.22 1sm9 h GLN 283 CO 0.01 0.60 0.00 0.09 -0.67 0.00 0.00 178.83 178.86 1sm9 n ASN 284 N -4.40 0.00 -0.07 1.46 3.02 0.11 -2.29 115.26 113.10 1sm9 n ASN 284 Ca 0.06 0.00 0.02 0.00 -0.03 0.00 0.00 54.58 54.63 1sm9 n ASN 284 Cb 0.08 -0.22 0.02 0.00 -0.61 0.00 0.00 39.78 39.06 1sm9 n ASN 284 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 1sm9 n ARG 285 N -1.22 1.43 -1.58 3.52 1.85 -0.84 -4.78 116.66 115.04 1sm9 n ARG 285 Ca 0.06 -1.29 -0.02 0.00 -1.00 0.00 0.00 57.85 55.61 1sm9 n ARG 285 Cb 0.08 -0.86 0.09 0.00 -1.05 0.00 0.00 32.46 30.72 1sm9 n ARG 285 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1sm9 n SER 286 N -0.42 2.16 -0.51 2.89 7.64 -0.97 -4.82 113.62 119.59 1sm9 n SER 286 Ca 0.02 -2.97 0.13 0.00 1.01 0.00 0.00 58.87 57.06 1sm9 n SER 286 Cb 0.44 -0.42 0.28 0.00 -1.01 0.00 0.00 64.21 63.51 1sm9 n SER 286 CO 0.00 0.00 0.00 2.22 -3.01 0.00 0.00 175.04 174.25 1sm9 n PHE 287 N -0.47 0.00 -2.24 1.43 1.16 -1.25 -4.56 117.46 111.52 1sm9 n PHE 287 Ca 0.18 0.00 -0.42 0.00 -1.87 0.00 0.00 57.45 55.35 1sm9 n PHE 287 Cb 0.90 -0.04 0.00 0.00 -1.61 0.00 0.00 39.48 38.74 1sm9 n PHE 287 CO 0.00 0.00 0.00 0.09 -1.87 0.00 0.00 176.76 174.98 1sm9 n ASN 288 N 0.13 6.19 0.00 5.98 3.02 -1.26 -4.35 115.26 124.96 1sm9 n ASN 288 Ca 0.14 -3.14 0.00 0.00 -0.03 0.00 0.00 54.58 51.55 1sm9 n ASN 288 Cb 0.43 -1.43 0.00 0.00 -0.61 0.00 0.00 39.78 38.17 1sm9 n ASN 288 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1sm9 n THR 289 N 2.66 0.54 -3.51 3.41 -2.24 -1.26 -5.06 114.28 108.82 1sm9 n THR 289 Ca 0.47 -0.54 -0.12 0.00 -2.27 0.00 0.00 64.05 61.59 1sm9 n THR 289 Cb 0.32 0.73 -0.03 0.00 -2.10 0.00 0.00 70.33 69.25 1sm9 n THR 289 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 1sm9 s PHE 290 N -0.54 -0.43 -0.07 4.78 -0.71 -1.26 -5.16 117.98 114.57 1sm9 s PHE 290 Ca 0.00 0.27 0.05 0.00 -1.04 0.00 0.00 56.93 56.20 1sm9 s PHE 290 Cb 0.00 0.43 -0.01 0.00 -1.21 0.00 0.00 43.02 42.23 1sm9 s PHE 290 CO 0.00 -0.76 -0.22 -0.51 -1.34 0.00 0.00 175.22 172.38 1sm9 s ASP 291 N -2.57 3.27 0.25 1.98 1.01 -1.26 -5.09 116.67 114.27 1sm9 s ASP 291 Ca -0.00 -0.47 -0.30 0.00 0.71 0.00 0.00 52.55 52.49 1sm9 s ASP 291 Cb -0.00 -1.06 -0.09 0.00 1.01 0.00 0.00 42.92 42.78 1sm9 s ASP 291 CO -0.10 0.23 1.04 -0.76 0.21 0.00 0.00 175.17 175.78 1sm9 s LEU 292 N -0.04 4.58 0.53 1.23 1.43 -1.26 -5.04 118.68 120.11 1sm9 s LEU 292 Ca -0.07 2.13 -0.02 0.00 -1.03 0.00 0.00 54.13 55.14 1sm9 s LEU 292 Cb -0.15 -3.62 0.01 0.00 0.03 0.00 0.00 46.19 42.46 1sm9 s LEU 292 CO 0.05 -0.03 0.78 0.42 0.23 0.00 0.00 176.35 177.80 1sm9 s THR 293 N -1.08 3.61 0.31 5.49 -4.23 -1.26 -4.88 115.64 113.60 1sm9 s THR 293 Ca 0.44 -0.33 0.07 0.00 -1.18 0.00 0.00 61.69 60.68 1sm9 s THR 293 Cb -0.29 -3.38 0.31 0.00 1.34 0.00 0.00 72.50 70.47 1sm9 s THR 293 CO 0.37 -0.32 1.79 0.50 -0.54 0.00 0.00 174.62 176.42 1sm9 h LYS 294 N 0.10 0.72 -0.53 3.99 3.64 -1.99 1.00 116.57 123.50 1sm9 h LYS 294 Ca -0.45 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 58.85 1sm9 h LYS 294 Cb 1.26 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.90 1sm9 h LYS 294 CO 0.58 0.48 0.18 0.93 -2.27 0.00 0.00 179.45 179.35 1sm9 h GLU 295 N 0.75 0.81 -0.08 1.90 3.07 -1.98 0.57 114.58 119.62 1sm9 h GLU 295 Ca 0.57 -0.17 0.02 0.00 -0.50 0.00 0.00 59.36 59.28 1sm9 h GLU 295 Cb 0.91 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 28.68 1sm9 h GLU 295 CO -0.36 0.74 -0.03 -0.44 -1.40 0.00 0.00 179.01 177.52 1sm9 h ASP 296 N 0.73 -0.10 -0.77 1.42 3.32 -1.22 0.25 116.42 120.04 1sm9 h ASP 296 Ca 0.17 0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.27 1sm9 h ASP 296 Cb 0.25 0.06 -0.04 0.00 0.22 0.00 0.00 39.33 39.83 1sm9 h ASP 296 CO -0.01 -0.04 0.51 -0.26 -1.72 0.00 0.00 179.24 177.72 1sm9 h PHE 297 N -0.02 0.95 -0.61 4.55 0.04 -1.01 0.10 116.94 120.94 1sm9 h PHE 297 Ca 0.04 0.02 -0.09 0.00 2.80 0.00 0.00 57.97 60.75 1sm9 h PHE 297 Cb 0.08 -0.32 -0.02 0.00 2.20 0.00 0.00 35.95 37.89 1sm9 h PHE 297 CO -0.14 0.59 0.05 0.93 -0.60 0.00 0.00 178.31 179.13 1sm9 h GLU 298 N 1.01 1.04 -0.11 1.51 5.08 0.32 0.14 114.58 123.57 1sm9 h GLU 298 Ca 0.29 -0.30 -0.16 0.00 -1.00 0.00 0.00 59.36 58.19 1sm9 h GLU 298 Cb -0.08 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 1sm9 h GLU 298 CO -0.07 0.98 -0.63 0.93 -1.00 0.00 0.00 179.01 179.23 1sm9 h GLU 299 N 0.96 0.40 -0.06 2.33 4.39 0.47 -3.09 114.58 119.98 1sm9 h GLU 299 Ca 0.18 -0.28 -0.18 0.00 0.34 0.00 0.00 59.36 59.42 1sm9 h GLU 299 Cb 0.49 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.18 1sm9 h GLU 299 CO 0.02 0.90 -0.73 0.82 -1.16 0.00 0.00 179.01 178.86 1sm9 h ILE 300 N 0.29 1.40 -0.21 3.13 2.04 -0.59 -3.07 117.51 120.50 1sm9 h ILE 300 Ca -0.01 -2.18 0.06 0.00 1.00 0.00 0.00 64.86 63.73 1sm9 h ILE 300 Cb 1.17 2.14 -0.01 0.00 -0.74 0.00 0.00 36.82 39.38 1sm9 h ILE 300 CO 0.11 0.65 0.19 0.00 0.00 0.00 0.00 178.15 179.09 1sm9 h ALA 301 N 0.98 1.99 0.00 1.87 0.00 -0.88 -0.85 119.26 122.37 1sm9 h ALA 301 Ca -0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1sm9 h ALA 301 Cb 1.30 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 1sm9 h ALA 301 CO 0.12 -0.30 -0.05 0.87 0.00 0.00 0.00 179.25 179.90 1sm9 h LYS 302 N 0.00 0.00 0.00 0.00 1.57 -1.54 -2.65 116.57 113.96 1sm9 h LYS 302 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1sm9 h LYS 302 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1sm9 h LYS 302 CO -0.00 0.05 0.00 -0.07 -0.57 0.00 0.00 179.45 178.86 1sm9 h LEU 303 N 0.00 0.00 -9.47 2.94 3.38 -1.32 -3.44 115.31 107.40 1sm9 h LEU 303 Ca -0.00 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.42 1sm9 h LEU 303 Cb 0.42 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.21 1sm9 h LEU 303 CO 0.01 0.00 1.05 -0.67 0.09 0.00 0.00 178.44 178.91 1sm9 n ASP 304 N -2.69 3.76 0.00 -0.43 2.03 -0.85 -4.40 116.55 113.97 1sm9 n ASP 304 Ca 0.02 1.01 0.00 0.00 0.52 0.00 0.00 54.79 56.33 1sm9 n ASP 304 Cb 0.30 -1.49 0.00 0.00 -0.72 0.00 0.00 41.12 39.21 1sm9 n ASP 304 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 1sm9 n ILE 305 N 4.51 0.00 -3.58 5.18 -5.35 -0.93 -5.03 119.36 114.17 1sm9 n ILE 305 Ca 0.19 0.00 -0.22 0.00 -0.27 0.00 0.00 62.75 62.45 1sm9 n ILE 305 Cb 0.34 1.15 0.07 0.00 -1.74 0.00 0.00 39.64 39.47 1sm9 n ILE 305 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1sm9 n GLY 306 N 0.00 -0.46 3.54 3.28 0.00 0.77 -4.95 105.19 107.37 1sm9 n GLY 306 Ca 0.00 0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1sm9 n GLY 306 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1sm9 s LEU 307 N -6.92 4.46 -0.18 0.99 2.96 -0.36 -4.94 118.68 114.68 1sm9 s LEU 307 Ca 0.34 -0.19 -0.04 0.00 -0.22 0.00 0.00 54.13 54.01 1sm9 s LEU 307 Cb -0.15 -2.51 -0.02 0.00 0.50 0.00 0.00 46.19 44.00 1sm9 s LEU 307 CO 0.75 -0.49 -0.02 -0.60 -1.32 0.00 0.00 176.35 174.67 1sm9 s ARG 308 N 2.30 3.63 -0.06 1.98 3.52 -1.26 -4.12 118.95 124.94 1sm9 s ARG 308 Ca 0.16 -0.53 0.15 0.00 -0.13 0.00 0.00 55.73 55.39 1sm9 s ARG 308 Cb -0.16 -3.00 -0.22 0.00 -1.56 0.00 0.00 34.95 30.01 1sm9 s ARG 308 CO 0.13 0.11 0.54 1.19 -0.81 0.00 0.00 175.30 176.46 1sm9 n PHE 309 N 3.94 0.72 -3.49 5.12 3.72 -1.26 -4.66 117.46 121.56 1sm9 n PHE 309 Ca -0.17 0.26 -0.42 0.00 -0.05 0.00 0.00 57.45 57.07 1sm9 n PHE 309 Cb 0.52 -1.10 -0.04 0.00 -0.94 0.00 0.00 39.48 37.91 1sm9 n PHE 309 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1sm9 s ASN 310 N -5.83 6.32 -0.20 4.37 3.04 -1.26 -5.03 114.94 116.35 1sm9 s ASN 310 Ca -0.06 -3.11 0.01 0.00 0.04 0.00 0.00 52.86 49.75 1sm9 s ASN 310 Cb 0.08 -2.06 0.04 0.00 -1.54 0.00 0.00 41.25 37.77 1sm9 s ASN 310 CO 0.83 -0.39 -0.11 -0.62 -3.04 0.00 0.00 177.10 173.76 1sm9 s ASP 311 N 1.17 3.50 0.16 -4.21 -1.08 -1.26 -4.97 116.67 109.97 1sm9 s ASP 311 Ca 0.22 -0.93 0.10 0.00 -0.52 0.00 0.00 52.55 51.42 1sm9 s ASP 311 Cb -0.12 -1.30 0.54 0.00 -1.46 0.00 0.00 42.92 40.58 1sm9 s ASP 311 CO -0.08 -0.14 1.28 -2.65 0.52 0.00 0.00 175.17 174.10 1sm9 n PRO 312 N 4.65 0.06 0.25 4.34 -0.02 -1.26 -0.31 135.00 142.70 1sm9 n PRO 312 Ca -0.15 0.54 0.09 0.00 -2.02 0.00 0.00 63.50 61.96 1sm9 n PRO 312 Cb 0.46 -1.76 0.62 0.00 -0.02 0.00 0.00 33.50 32.81 1sm9 n PRO 312 CO 0.00 0.00 0.00 2.35 1.98 0.00 0.00 175.50 179.83 1sm9 h TRP 313 N 0.00 0.00 0.00 6.00 2.91 -1.90 -1.48 115.95 121.47 1sm9 h TRP 313 Ca 0.00 0.00 -0.14 0.00 1.13 0.00 0.00 58.89 59.88 1sm9 h TRP 313 Cb 0.09 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 28.72 1sm9 h TRP 313 CO 0.00 0.13 -0.67 -0.44 -1.03 0.00 0.00 178.44 176.43 1sm9 h ASP 314 N 0.00 0.00 0.35 2.65 3.32 -1.00 -1.12 116.42 120.61 1sm9 h ASP 314 Ca -0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1sm9 h ASP 314 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 1sm9 h ASP 314 CO 0.02 0.67 -0.17 -0.50 -1.72 0.00 0.00 179.24 177.54 1sm9 h TRP 315 N 0.00 -0.43 -0.15 4.55 6.55 -1.38 -3.43 115.95 121.66 1sm9 h TRP 315 Ca -0.01 -0.01 -0.19 0.00 0.95 0.00 0.00 58.89 59.63 1sm9 h TRP 315 Cb 1.20 0.14 -0.25 0.00 -0.86 0.00 0.00 29.16 29.39 1sm9 h TRP 315 CO 0.00 -0.16 -0.62 -3.47 -1.05 0.00 0.00 178.44 173.15 1sm9 n ASP 316 N -5.09 -0.21 -3.77 -3.49 2.03 -1.07 -4.98 116.55 99.96 1sm9 n ASP 316 Ca -0.08 -2.11 -0.28 0.00 0.52 0.00 0.00 54.79 52.84 1sm9 n ASP 316 Cb 0.24 0.18 0.04 0.00 -0.72 0.00 0.00 41.12 40.86 1sm9 n ASP 316 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1sm9 n ASN 317 N -0.94 -5.22 -4.67 1.67 5.03 -0.42 -4.92 115.26 105.79 1sm9 n ASN 317 Ca -0.09 -0.68 -0.43 0.00 0.87 0.00 0.00 54.58 54.26 1sm9 n ASN 317 Cb 0.85 -4.16 -0.02 0.00 -1.02 0.00 0.00 39.78 35.43 1sm9 n ASN 317 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1sm9 s ILE 318 N -3.28 4.71 0.00 2.41 1.01 -1.20 -4.92 121.20 119.93 1sm9 s ILE 318 Ca 0.62 2.02 0.00 0.00 0.00 0.00 0.00 60.65 63.29 1sm9 s ILE 318 Cb -0.30 -4.31 0.00 0.00 0.01 0.00 0.00 42.46 37.86 1sm9 s ILE 318 CO 0.77 -0.14 0.88 -0.81 0.00 0.00 0.00 174.94 175.64 1sm9 n PRO 319 N 6.03 0.67 -0.12 2.79 -0.04 -1.26 -3.22 135.00 139.86 1sm9 n PRO 319 Ca 0.11 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.50 1sm9 n PRO 319 Cb 0.47 -1.16 0.01 0.00 -0.04 0.00 0.00 33.50 32.78 1sm9 n PRO 319 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1sm9 h ILE 320 N 0.64 1.00 -0.69 0.52 1.08 -1.95 -3.13 117.51 114.98 1sm9 h ILE 320 Ca 0.00 -0.14 -0.31 0.00 -0.39 0.00 0.00 64.86 64.01 1sm9 h ILE 320 Cb 0.67 0.54 -0.19 0.00 -3.07 0.00 0.00 36.82 34.78 1sm9 h ILE 320 CO 0.00 0.08 0.30 0.49 -0.69 0.00 0.00 178.15 178.33 1sm9 n PHE 321 N -4.91 2.18 -0.28 1.37 3.72 -1.26 -4.73 117.46 113.55 1sm9 n PHE 321 Ca 0.01 -1.57 0.00 0.00 -0.05 0.00 0.00 57.45 55.84 1sm9 n PHE 321 Cb 0.08 -0.71 0.00 0.00 -0.94 0.00 0.00 39.48 37.91 1sm9 n PHE 321 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04