#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 3.91 0.58 0.44 1.01 -1.26 -4.99 121.20 120.90 1sm9 s ILE 5 Ca 0.00 0.84 -0.19 0.00 0.00 0.00 0.00 60.65 61.30 1sm9 s ILE 5 Cb 0.00 -4.49 -0.05 0.00 0.01 0.00 0.00 42.46 37.93 1sm9 s ILE 5 CO 0.00 -1.12 0.99 -0.81 0.00 0.00 0.00 174.94 174.00 1sm9 n PRO 6 N 8.41 0.99 -4.00 2.79 -0.04 -1.26 -4.67 135.00 137.21 1sm9 n PRO 6 Ca 0.12 0.38 -0.29 0.00 -0.04 0.00 0.00 63.50 63.67 1sm9 n PRO 6 Cb 0.49 -2.18 -0.05 0.00 -0.04 0.00 0.00 33.50 31.72 1sm9 n PRO 6 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1sm9 s ASP 7 N -1.18 5.90 -0.13 3.54 1.01 -1.26 -0.92 116.67 123.63 1sm9 s ASP 7 Ca 0.74 0.07 0.01 0.00 0.71 0.00 0.00 52.55 54.09 1sm9 s ASP 7 Cb -0.43 -1.68 -0.01 0.00 1.01 0.00 0.00 42.92 41.82 1sm9 s ASP 7 CO 0.48 0.12 -0.18 -0.63 0.21 0.00 0.00 175.17 175.18 1sm9 s ILE 8 N -1.58 2.58 -0.29 0.77 1.01 0.01 -4.87 121.20 118.83 1sm9 s ILE 8 Ca 0.32 -0.82 -0.25 0.00 0.00 0.00 0.00 60.65 59.90 1sm9 s ILE 8 Cb -0.12 -2.05 0.00 0.00 0.01 0.00 0.00 42.46 40.30 1sm9 s ILE 8 CO 0.25 0.54 0.88 -0.75 0.00 0.00 0.00 174.94 175.86 1sm9 s LYS 9 N 0.48 4.05 0.68 2.79 2.20 -1.26 0.08 119.74 128.75 1sm9 s LYS 9 Ca -0.12 0.82 -0.11 0.00 -0.36 0.00 0.00 55.97 56.19 1sm9 s LYS 9 Cb -0.16 -3.71 -0.00 0.00 -1.51 0.00 0.00 37.83 32.44 1sm9 s LYS 9 CO 0.05 -0.70 1.06 -0.51 -0.36 0.00 0.00 175.35 174.89 1sm9 s LEU 10 N 3.12 3.18 0.63 5.43 1.43 0.56 -4.90 118.68 128.13 1sm9 s LEU 10 Ca 0.37 1.62 0.39 0.00 -1.03 0.00 0.00 54.13 55.47 1sm9 s LEU 10 Cb -0.14 -4.50 2.11 0.00 0.03 0.00 0.00 46.19 43.69 1sm9 s LEU 10 CO 0.12 -1.36 2.19 0.77 0.23 0.00 0.00 176.35 178.30 1sm9 h SER 11 N -0.54 0.00 1.04 2.29 4.64 -1.82 0.17 113.55 119.33 1sm9 h SER 11 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1sm9 h SER 11 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1sm9 h SER 11 CO 0.57 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.99 1sm9 n SER 12 N -2.94 0.35 0.00 4.97 3.41 -1.26 -4.89 113.62 113.26 1sm9 n SER 12 Ca -0.03 0.55 0.00 0.00 -0.26 0.00 0.00 58.87 59.13 1sm9 n SER 12 Cb 0.14 -0.63 0.00 0.00 -0.26 0.00 0.00 64.21 63.46 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 1.02 3.29 3.81 5.00 0.00 0.59 -5.06 105.19 113.84 1sm9 n GLY 13 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.91 3.49 0.20 1.61 4.02 -1.26 -4.73 115.29 115.72 1sm9 s HIS 14 Ca 0.00 1.55 -0.22 0.00 1.02 0.00 0.00 55.06 57.41 1sm9 s HIS 14 Cb 0.00 -2.77 -0.08 0.00 -1.02 0.00 0.00 32.58 28.71 1sm9 s HIS 14 CO 0.00 0.10 0.75 -0.51 1.02 0.00 0.00 174.74 176.09 1sm9 s LEU 15 N -2.61 4.42 -0.09 0.89 1.43 -1.26 -0.33 118.68 121.13 1sm9 s LEU 15 Ca 0.54 1.50 0.01 0.00 -1.03 0.00 0.00 54.13 55.15 1sm9 s LEU 15 Cb -0.13 -3.49 0.02 0.00 0.03 0.00 0.00 46.19 42.61 1sm9 s LEU 15 CO 0.18 0.09 -0.10 -0.32 0.23 0.00 0.00 176.35 176.43 1sm9 s MET 16 N -1.70 1.60 0.25 1.70 1.75 0.11 -4.90 119.30 118.11 1sm9 s MET 16 Ca 0.41 -0.33 -0.31 0.00 -1.25 0.00 0.00 55.69 54.20 1sm9 s MET 16 Cb -0.19 -1.48 -0.13 0.00 2.84 0.00 0.00 34.83 35.87 1sm9 s MET 16 CO 0.23 -0.12 1.36 -2.30 -0.65 0.00 0.00 175.02 173.54 1sm9 n PRO 17 N 4.35 1.96 0.00 4.11 -0.02 -1.26 -0.81 135.00 143.33 1sm9 n PRO 17 Ca -0.18 0.70 0.12 0.00 -2.02 0.00 0.00 63.50 62.11 1sm9 n PRO 17 Cb 0.51 -2.32 0.56 0.00 -0.02 0.00 0.00 33.50 32.22 1sm9 n PRO 17 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1sm9 n SER 18 N 1.96 0.00 -3.86 2.55 3.41 -0.09 -4.64 113.62 112.95 1sm9 n SER 18 Ca 0.11 0.24 -0.21 0.00 -0.26 0.00 0.00 58.87 58.75 1sm9 n SER 18 Cb 0.31 -0.40 -0.17 0.00 -0.26 0.00 0.00 64.21 63.70 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 -2.80 0.52 0.42 -1.33 1.01 -1.26 -1.27 121.20 116.50 1sm9 s ILE 19 Ca 0.17 -0.07 0.03 0.00 0.00 0.00 0.00 60.65 60.78 1sm9 s ILE 19 Cb 0.16 -0.58 -0.02 0.00 0.01 0.00 0.00 42.46 42.02 1sm9 s ILE 19 CO 0.40 0.24 0.11 -0.83 0.00 0.00 0.00 174.94 174.87 1sm9 s GLY 20 N 1.23 2.66 -0.30 6.18 0.00 0.33 -4.50 107.32 112.92 1sm9 s GLY 20 Ca -0.06 -1.15 -0.05 0.00 0.00 0.00 0.00 44.72 43.46 1sm9 s GLY 20 CO -0.02 -1.88 0.05 -0.12 0.00 0.00 0.00 173.10 171.13 1sm9 s PHE 21 N -3.16 3.17 0.37 1.90 5.36 -0.50 -3.32 117.98 121.80 1sm9 s PHE 21 Ca 0.22 -1.28 -0.27 0.00 -0.96 0.00 0.00 56.93 54.64 1sm9 s PHE 21 Cb 0.03 -2.21 -0.09 0.00 -0.34 0.00 0.00 43.02 40.41 1sm9 s PHE 21 CO 0.13 -0.66 1.21 0.20 -1.46 0.00 0.00 175.22 174.63 1sm9 s GLY 22 N 1.42 2.94 0.00 13.12 0.00 -0.52 -1.64 107.32 122.64 1sm9 s GLY 22 Ca 0.00 1.06 0.08 0.00 0.00 0.00 0.00 44.72 45.86 1sm9 s GLY 22 CO 0.01 1.63 0.97 0.00 0.00 0.00 0.00 173.10 175.71 1sm9 s TRP 24 N -0.84 3.01 -1.99 0.00 -0.00 -1.26 -2.40 118.94 115.47 1sm9 s TRP 24 Ca 0.13 1.44 0.00 0.00 -0.00 0.00 0.00 56.10 57.67 1sm9 s TRP 24 Cb 0.08 -3.63 0.00 0.00 -0.00 0.00 0.00 33.47 29.92 1sm9 s TRP 24 CO 0.11 -1.81 0.00 1.63 -0.00 0.00 0.00 176.95 176.88 1sm9 n LYS 25 N 0.55 -1.52 -2.64 5.86 4.01 -1.26 -4.93 118.16 118.24 1sm9 n LYS 25 Ca 0.01 1.16 -0.43 0.00 -0.51 0.00 0.00 58.31 58.54 1sm9 n LYS 25 Cb 0.43 -5.56 -0.02 0.00 -0.51 0.00 0.00 35.03 29.37 1sm9 n LYS 25 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 1sm9 s LEU 26 N -4.26 3.82 0.23 -0.35 2.96 -1.01 -4.97 118.68 115.10 1sm9 s LEU 26 Ca 0.00 0.76 -0.31 0.00 -0.22 0.00 0.00 54.13 54.35 1sm9 s LEU 26 Cb 0.00 -3.52 -0.14 0.00 0.50 0.00 0.00 46.19 43.04 1sm9 s LEU 26 CO 0.00 -1.03 1.38 0.00 -1.32 0.00 0.00 176.35 175.37 1sm9 n ALA 27 N 7.27 0.88 -0.15 5.97 0.00 -1.26 -4.76 120.51 128.46 1sm9 n ALA 27 Ca 0.11 0.42 -0.07 0.00 0.00 0.00 0.00 53.44 53.91 1sm9 n ALA 27 Cb 0.48 -2.24 0.02 0.00 0.00 0.00 0.00 19.45 17.71 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 4.11 0.44 -0.41 0.00 4.21 -1.93 0.69 115.58 122.69 1sm9 h ASN 28 Ca -0.45 0.00 0.08 0.00 1.21 0.00 0.00 56.30 57.14 1sm9 h ASN 28 Cb 1.28 -0.09 -0.02 0.00 -1.12 0.00 0.00 38.32 38.37 1sm9 h ASN 28 CO 0.75 0.32 0.28 0.00 -1.29 0.00 0.00 177.43 177.49 1sm9 h ALA 29 N 1.20 2.10 -0.00 -0.83 0.00 -2.01 -3.10 119.26 116.61 1sm9 h ALA 29 Ca 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1sm9 h ALA 29 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1sm9 h ALA 29 CO -0.08 -0.19 -0.06 0.25 0.00 0.00 0.00 179.25 179.18 1sm9 n THR 30 N -4.47 0.00 -0.25 0.00 -2.24 -0.99 -4.75 114.28 101.58 1sm9 n THR 30 Ca 0.06 -0.47 0.05 0.00 -2.27 0.00 0.00 64.05 61.41 1sm9 n THR 30 Cb 0.32 1.06 0.18 0.00 -2.10 0.00 0.00 70.33 69.79 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 0.76 1.01 0.09 6.98 0.00 0.46 -0.45 119.26 128.11 1sm9 h ALA 31 Ca 0.00 0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1sm9 h ALA 31 Cb 0.15 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1sm9 h ALA 31 CO 0.00 -0.24 -0.10 0.78 0.00 0.00 0.00 179.25 179.69 1sm9 h GLY 32 N 0.40 -0.20 1.02 0.00 0.00 -1.78 -0.89 103.07 101.63 1sm9 h GLY 32 Ca 0.41 0.12 -0.03 0.00 0.00 0.00 0.00 47.33 47.83 1sm9 h GLY 32 CO -0.42 -0.11 0.37 -2.09 0.00 0.00 0.00 176.54 174.30 1sm9 h GLU 33 N -0.22 1.11 -0.60 4.80 4.57 -1.79 -1.26 114.58 121.18 1sm9 h GLU 33 Ca 0.01 -0.16 -0.03 0.00 -1.18 0.00 0.00 59.36 58.00 1sm9 h GLU 33 Cb 0.22 -0.20 -0.03 0.00 -0.16 0.00 0.00 28.75 28.59 1sm9 h GLU 33 CO -0.04 0.86 0.25 1.96 -1.18 0.00 0.00 179.01 180.85 1sm9 h GLN 34 N 1.08 0.90 -0.52 1.92 4.20 -0.80 -0.27 115.11 121.62 1sm9 h GLN 34 Ca 0.26 -0.16 -0.12 0.00 0.06 0.00 0.00 58.65 58.70 1sm9 h GLN 34 Cb 0.11 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 1sm9 h GLN 34 CO -0.03 0.76 -0.13 0.28 -0.67 0.00 0.00 178.83 179.04 1sm9 h VAL 35 N 0.84 1.27 -0.43 -0.54 2.07 -0.95 -1.39 116.25 117.11 1sm9 h VAL 35 Ca 0.20 -1.29 0.02 0.00 0.82 0.00 0.00 66.70 66.45 1sm9 h VAL 35 Cb 0.19 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 1sm9 h VAL 35 CO -0.02 0.45 0.26 0.22 0.02 0.00 0.00 177.57 178.50 1sm9 h TYR 36 N 0.87 0.49 -0.69 1.57 3.20 -0.98 0.30 116.97 121.73 1sm9 h TYR 36 Ca 0.13 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.98 1sm9 h TYR 36 Cb 0.70 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.78 1sm9 h TYR 36 CO 0.05 0.28 0.29 1.96 -1.64 0.00 0.00 178.16 179.10 1sm9 h GLN 37 N 0.52 1.02 -0.97 1.82 1.08 -0.86 -1.10 115.11 116.62 1sm9 h GLN 37 Ca 0.17 -0.18 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1sm9 h GLN 37 Cb 0.00 -0.17 -0.05 0.00 -0.05 0.00 0.00 27.48 27.21 1sm9 h GLN 37 CO -0.07 0.84 0.61 0.00 -0.95 0.00 0.00 178.83 179.26 1sm9 h ALA 38 N 1.13 1.23 -0.64 3.87 0.00 -0.65 0.24 119.26 124.44 1sm9 h ALA 38 Ca 0.23 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1sm9 h ALA 38 Cb 0.19 -0.39 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 1sm9 h ALA 38 CO -0.02 0.66 0.15 0.82 0.00 0.00 0.00 179.25 180.86 1sm9 h ILE 39 N 1.33 1.25 -0.43 0.00 2.04 -0.39 0.59 117.51 121.90 1sm9 h ILE 39 Ca 0.35 -0.93 -0.09 0.00 1.00 0.00 0.00 64.86 65.19 1sm9 h ILE 39 Cb -0.11 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 36.55 1sm9 h ILE 39 CO -0.07 0.35 -0.10 0.11 0.00 0.00 0.00 178.15 178.44 1sm9 h LYS 40 N 0.97 0.77 0.00 2.37 1.57 0.09 -1.89 116.57 120.46 1sm9 h LYS 40 Ca 0.20 -0.25 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1sm9 h LYS 40 Cb 0.35 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1sm9 h LYS 40 CO 0.00 0.85 0.00 0.00 -0.57 0.00 0.00 179.45 179.73 1sm9 n ALA 41 N -2.49 2.12 0.00 3.86 0.00 0.69 -4.88 120.51 119.82 1sm9 n ALA 41 Ca 0.01 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1sm9 n ALA 41 Cb 0.36 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.46 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 0.51 0.82 3.77 0.00 0.00 -0.65 -5.01 105.19 104.63 1sm9 n GLY 42 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 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 3.12 0.00 1.61 1.51 0.11 -4.92 117.35 116.78 1sm9 s TYR 43 Ca 0.00 1.52 0.00 0.00 -1.01 0.00 0.00 57.07 57.58 1sm9 s TYR 43 Cb 0.00 -3.50 0.00 0.00 -0.11 0.00 0.00 41.96 38.35 1sm9 s TYR 43 CO 0.00 -1.45 0.00 0.54 -1.11 0.00 0.00 175.55 173.53 1sm9 n ARG 44 N 0.50 2.67 -3.78 -0.62 5.12 -1.26 -4.14 116.66 115.15 1sm9 n ARG 44 Ca 0.02 0.00 -0.37 0.00 -1.93 0.00 0.00 57.85 55.57 1sm9 n ARG 44 Cb 0.44 -0.90 -0.07 0.00 -1.16 0.00 0.00 32.46 30.78 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 -3.12 4.34 -0.12 0.55 0.20 -1.26 -0.63 118.68 118.64 1sm9 s LEU 45 Ca 0.00 0.45 -0.00 0.00 0.69 0.00 0.00 54.13 55.27 1sm9 s LEU 45 Cb 0.00 -2.15 0.02 0.00 -0.43 0.00 0.00 46.19 43.64 1sm9 s LEU 45 CO 0.00 0.32 -0.10 -0.36 -0.29 0.00 0.00 176.35 175.92 1sm9 s PHE 46 N -0.54 1.69 -0.54 5.38 0.40 -0.43 -1.41 117.98 122.53 1sm9 s PHE 46 Ca 0.14 -0.88 -0.23 0.00 -0.60 0.00 0.00 56.93 55.36 1sm9 s PHE 46 Cb -0.12 -1.34 0.05 0.00 0.51 0.00 0.00 43.02 42.11 1sm9 s PHE 46 CO 0.03 -0.56 0.86 0.34 0.70 0.00 0.00 175.22 176.59 1sm9 s ASP 47 N 1.64 6.31 0.15 1.36 2.15 -0.65 -1.80 116.67 125.82 1sm9 s ASP 47 Ca 0.05 -0.51 0.01 0.00 0.43 0.00 0.00 52.55 52.53 1sm9 s ASP 47 Cb -0.13 -2.40 0.01 0.00 -0.30 0.00 0.00 42.92 40.11 1sm9 s ASP 47 CO -0.09 -1.15 0.10 0.61 -0.17 0.00 0.00 175.17 174.48 1sm9 n GLY 48 N 5.14 3.06 3.64 2.66 0.00 0.10 -1.67 105.19 118.11 1sm9 n GLY 48 Ca -0.01 -2.21 -0.06 0.00 0.00 0.00 0.00 46.02 43.75 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 -2.22 -2.13 0.32 4.61 0.00 -1.26 -3.94 121.76 117.14 1sm9 s ALA 49 Ca 0.08 1.81 0.04 0.00 0.00 0.00 0.00 51.96 53.88 1sm9 s ALA 49 Cb -0.01 -1.63 0.63 0.00 0.00 0.00 0.00 23.12 22.12 1sm9 s ALA 49 CO 0.05 -0.18 1.89 0.93 0.00 0.00 0.00 175.76 178.44 1sm9 h GLU 50 N 3.87 0.88 0.00 0.00 5.08 -1.94 -0.61 114.58 121.87 1sm9 h GLU 50 Ca -0.28 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 1sm9 h GLU 50 Cb 1.19 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.24 1sm9 h GLU 50 CO 0.15 0.58 0.00 0.22 -1.00 0.00 0.00 179.01 178.96 1sm9 h ASP 51 N 0.91 0.00 1.08 1.42 1.82 -1.95 -2.49 116.42 117.20 1sm9 h ASP 51 Ca 0.42 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.06 1sm9 h ASP 51 Cb 0.41 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.42 1sm9 h ASP 51 CO -0.19 0.00 0.00 -1.22 -1.61 0.00 0.00 179.24 176.22 1sm9 n TYR 52 N -2.72 0.88 -1.94 0.28 4.01 -0.23 -4.90 117.16 112.53 1sm9 n TYR 52 Ca -0.00 0.30 -0.21 0.00 -0.16 0.00 0.00 57.90 57.83 1sm9 n TYR 52 Cb 0.18 -0.99 -0.06 0.00 -0.31 0.00 0.00 39.34 38.17 1sm9 n TYR 52 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1sm9 n GLY 53 N 0.60 0.93 0.87 2.72 0.00 -0.94 -4.84 105.19 104.53 1sm9 n GLY 53 Ca 0.04 -0.01 0.02 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.62 0.51 0.10 1.61 0.23 -1.26 -4.84 115.26 109.99 1sm9 n ASN 54 Ca -0.22 -2.09 -0.01 0.00 -0.53 0.00 0.00 54.58 51.73 1sm9 n ASN 54 Cb 0.69 -0.25 0.26 0.00 -2.08 0.00 0.00 39.78 38.39 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 0.41 0.24 -0.01 -3.83 5.08 -1.88 0.11 114.58 114.69 1sm9 h GLU 55 Ca -0.09 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 1sm9 h GLU 55 Cb 1.57 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.80 1sm9 h GLU 55 CO 0.04 0.56 -0.02 -0.22 -1.00 0.00 0.00 179.01 178.37 1sm9 h LYS 56 N 0.21 -0.03 -0.24 2.33 3.64 -1.89 0.18 116.57 120.76 1sm9 h LYS 56 Ca 0.02 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.31 1sm9 h LYS 56 Cb 0.72 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.53 1sm9 h LYS 56 CO 0.05 -0.02 -0.27 0.93 -2.27 0.00 0.00 179.45 177.87 1sm9 h GLU 57 N -0.03 0.47 -0.64 1.90 3.07 -1.76 -0.52 114.58 117.07 1sm9 h GLU 57 Ca 0.01 -0.18 -0.06 0.00 -0.50 0.00 0.00 59.36 58.63 1sm9 h GLU 57 Cb 0.05 -0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 27.90 1sm9 h GLU 57 CO -0.03 0.70 0.16 0.28 -1.40 0.00 0.00 179.01 178.73 1sm9 h VAL 58 N 0.41 1.25 -0.53 3.13 2.07 -0.43 -1.91 116.25 120.24 1sm9 h VAL 58 Ca 0.06 -0.90 -0.04 0.00 0.82 0.00 0.00 66.70 66.65 1sm9 h VAL 58 Cb 0.69 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 1sm9 h VAL 58 CO 0.05 0.34 0.19 1.23 0.02 0.00 0.00 177.57 179.40 1sm9 h GLY 59 N 1.04 0.87 0.37 2.17 0.00 -0.03 -2.30 103.07 105.19 1sm9 h GLY 59 Ca 0.20 -0.49 0.08 0.00 0.00 0.00 0.00 47.33 47.12 1sm9 h GLY 59 CO -0.00 0.46 0.03 -0.55 0.00 0.00 0.00 176.54 176.48 1sm9 h ASP 60 N 0.72 -0.12 -0.65 0.19 3.32 -0.53 0.92 116.42 120.27 1sm9 h ASP 60 Ca 0.17 0.09 0.05 0.00 0.02 0.00 0.00 57.03 57.36 1sm9 h ASP 60 Cb 0.24 0.15 -0.05 0.00 0.22 0.00 0.00 39.33 39.89 1sm9 h ASP 60 CO -0.01 -0.02 0.38 1.23 -1.72 0.00 0.00 179.24 179.09 1sm9 h GLY 61 N 0.14 0.95 0.82 2.75 0.00 -1.11 -1.18 103.07 105.44 1sm9 h GLY 61 Ca 0.21 -0.27 -0.05 0.00 0.00 0.00 0.00 47.33 47.22 1sm9 h GLY 61 CO -0.32 0.19 -0.04 -2.08 0.00 0.00 0.00 176.54 174.28 1sm9 h VAL 62 N 0.71 1.28 -0.69 4.60 2.07 -0.75 -2.66 116.25 120.81 1sm9 h VAL 62 Ca 0.28 -1.02 0.07 0.00 0.82 0.00 0.00 66.70 66.85 1sm9 h VAL 62 Cb 0.12 1.50 -0.06 0.00 -1.52 0.00 0.00 31.29 31.33 1sm9 h VAL 62 CO -0.15 0.31 0.37 0.50 0.02 0.00 0.00 177.57 178.62 1sm9 h LYS 63 N 0.16 0.64 -0.92 1.57 3.64 -0.61 -1.13 116.57 119.91 1sm9 h LYS 63 Ca 0.06 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1sm9 h LYS 63 Cb 0.49 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 32.12 1sm9 h LYS 63 CO 0.02 0.43 0.54 -0.09 -2.27 0.00 0.00 179.45 178.08 1sm9 h ARG 64 N 0.66 1.26 -0.31 1.90 2.43 -1.12 0.31 114.38 119.52 1sm9 h ARG 64 Ca 0.32 -0.12 -0.07 0.00 -0.81 0.00 0.00 59.98 59.30 1sm9 h ARG 64 Cb 0.26 -0.26 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 1sm9 h ARG 64 CO -0.22 0.89 -0.11 0.00 -1.51 0.00 0.00 179.97 179.03 1sm9 h ALA 65 N 1.32 1.23 -0.02 2.80 0.00 -0.92 -2.67 119.26 121.00 1sm9 h ALA 65 Ca 0.33 -0.27 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 1sm9 h ALA 65 Cb -0.03 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.63 1sm9 h ALA 65 CO -0.06 0.50 -0.58 0.82 0.00 0.00 0.00 179.25 179.93 1sm9 h ILE 66 N 0.48 1.41 0.00 0.00 2.04 -0.40 -0.23 117.51 120.81 1sm9 h ILE 66 Ca 0.09 -2.02 0.00 0.00 1.00 0.00 0.00 64.86 63.93 1sm9 h ILE 66 Cb 0.49 2.50 0.00 0.00 -0.74 0.00 0.00 36.82 39.07 1sm9 h ILE 66 CO 0.03 0.59 0.00 0.47 0.00 0.00 0.00 178.15 179.24 1sm9 n ASP 67 N -4.22 0.00 -0.53 1.72 8.00 0.10 -0.61 116.55 121.00 1sm9 n ASP 67 Ca -0.10 0.46 0.07 0.00 0.71 0.00 0.00 54.79 55.93 1sm9 n ASP 67 Cb 0.65 -0.47 0.05 0.00 -0.02 0.00 0.00 41.12 41.34 1sm9 n ASP 67 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1sm9 n GLU 68 N -1.47 1.16 -1.00 -1.24 1.02 -1.02 -4.96 120.64 113.13 1sm9 n GLU 68 Ca 0.01 -1.25 -0.00 0.00 -0.02 0.00 0.00 57.16 55.90 1sm9 n GLU 68 Cb 0.04 -1.26 -0.00 0.00 -0.02 0.00 0.00 31.44 30.20 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 0.86 0.47 0.28 0.62 0.00 0.21 -4.93 105.19 102.70 1sm9 n GLY 69 Ca 0.08 -0.25 -0.09 0.00 0.00 0.00 0.00 46.02 45.76 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 0.92 -7.92 0.99 3.38 -1.22 -3.47 115.31 107.99 1sm9 h LEU 70 Ca -0.00 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.65 1sm9 h LEU 70 Cb 0.02 -0.25 -0.10 0.00 0.09 0.00 0.00 40.66 40.42 1sm9 h LEU 70 CO 0.00 0.97 -0.07 0.68 0.09 0.00 0.00 178.44 180.11 1sm9 s VAL 71 N -5.12 0.03 0.23 1.22 -7.23 -1.20 -5.02 120.40 103.31 1sm9 s VAL 71 Ca -0.12 -1.08 0.07 0.00 -1.81 0.00 0.00 61.98 59.04 1sm9 s VAL 71 Cb 0.13 -1.81 -0.04 0.00 0.56 0.00 0.00 36.38 35.22 1sm9 s VAL 71 CO 0.83 -0.12 0.15 -0.54 -0.31 0.00 0.00 175.10 175.11 1sm9 s LYS 72 N -3.93 2.81 0.31 4.82 1.02 -1.26 -4.17 119.74 119.35 1sm9 s LYS 72 Ca 0.14 -1.07 0.05 0.00 0.02 0.00 0.00 55.97 55.11 1sm9 s LYS 72 Cb -0.00 -2.52 0.67 0.00 -0.52 0.00 0.00 37.83 35.46 1sm9 s LYS 72 CO 0.01 0.41 1.85 -0.09 -0.92 0.00 0.00 175.35 176.62 1sm9 h ARG 73 N 1.76 0.84 -1.02 1.68 9.65 -1.98 0.73 114.38 126.05 1sm9 h ARG 73 Ca -0.48 -0.05 0.25 0.00 -1.10 0.00 0.00 59.98 58.60 1sm9 h ARG 73 Cb 1.23 -0.19 -0.10 0.00 -1.39 0.00 0.00 29.97 29.52 1sm9 h ARG 73 CO 0.61 0.55 0.64 0.93 2.80 0.00 0.00 179.97 185.50 1sm9 h GLU 74 N 0.86 0.49 0.00 0.20 3.07 -2.04 -1.35 114.58 115.81 1sm9 h GLU 74 Ca 0.47 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 59.31 1sm9 h GLU 74 Cb 0.58 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.38 1sm9 h GLU 74 CO -0.24 0.32 -0.20 0.93 -1.40 0.00 0.00 179.01 178.42 1sm9 h GLU 75 N 0.51 0.00 -5.86 2.33 5.08 -1.24 -3.46 114.58 111.95 1sm9 h GLU 75 Ca 0.60 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 58.37 1sm9 h GLU 75 Cb 1.32 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.50 1sm9 h GLU 75 CO -0.35 0.00 -0.19 0.42 -1.00 0.00 0.00 179.01 177.88 1sm9 s ILE 76 N -3.14 5.11 -0.38 3.13 -1.09 -0.51 -4.88 121.20 119.45 1sm9 s ILE 76 Ca 0.09 0.85 -0.07 0.00 -2.23 0.00 0.00 60.65 59.29 1sm9 s ILE 76 Cb 0.12 -3.74 0.06 0.00 -1.58 0.00 0.00 42.46 37.32 1sm9 s ILE 76 CO 0.65 0.47 0.17 0.12 -1.23 0.00 0.00 174.94 175.11 1sm9 s PHE 77 N -0.31 3.32 -0.25 3.97 2.19 0.20 -4.93 117.98 122.19 1sm9 s PHE 77 Ca 0.24 -1.59 -0.10 0.00 0.33 0.00 0.00 56.93 55.81 1sm9 s PHE 77 Cb -0.16 -2.63 -0.04 0.00 -1.31 0.00 0.00 43.02 38.87 1sm9 s PHE 77 CO 0.11 -0.80 0.14 -0.51 1.83 0.00 0.00 175.22 175.99 1sm9 s LEU 78 N 1.38 3.92 -0.12 6.12 1.43 -1.26 -1.31 118.68 128.84 1sm9 s LEU 78 Ca 0.01 0.01 -0.02 0.00 -1.03 0.00 0.00 54.13 53.11 1sm9 s LEU 78 Cb -0.21 -2.06 -0.03 0.00 0.03 0.00 0.00 46.19 43.92 1sm9 s LEU 78 CO 0.02 0.03 -0.06 -0.89 0.23 0.00 0.00 176.35 175.67 1sm9 s THR 79 N 1.29 3.72 0.28 5.49 2.01 -0.75 -1.25 115.64 126.44 1sm9 s THR 79 Ca 0.07 -0.44 0.02 0.00 0.31 0.00 0.00 61.69 61.65 1sm9 s THR 79 Cb -0.14 -2.58 -0.04 0.00 0.01 0.00 0.00 72.50 69.74 1sm9 s THR 79 CO 0.06 0.54 0.12 -0.55 -0.69 0.00 0.00 174.62 174.10 1sm9 s SER 80 N -0.10 1.36 -0.01 3.53 0.15 0.17 0.01 113.70 118.81 1sm9 s SER 80 Ca 0.01 -1.47 0.01 0.00 0.70 0.00 0.00 55.95 55.20 1sm9 s SER 80 Cb -0.13 0.27 0.00 0.00 -1.71 0.00 0.00 66.02 64.46 1sm9 s SER 80 CO 0.03 -0.81 -0.01 -0.54 1.20 0.00 0.00 173.24 173.11 1sm9 s LYS 81 N -3.94 0.17 -0.32 5.44 1.02 -1.25 -1.75 119.74 119.12 1sm9 s LYS 81 Ca 0.36 -0.04 -0.29 0.00 0.02 0.00 0.00 55.97 56.03 1sm9 s LYS 81 Cb 0.06 -0.21 0.01 0.00 -0.52 0.00 0.00 37.83 37.17 1sm9 s LYS 81 CO 0.15 0.00 1.21 -1.17 -0.92 0.00 0.00 175.35 174.63 1sm9 s LEU 82 N 0.18 3.88 0.81 3.17 2.96 0.72 -3.29 118.68 127.11 1sm9 s LEU 82 Ca -0.01 1.10 -0.11 0.00 -0.22 0.00 0.00 54.13 54.89 1sm9 s LEU 82 Cb -0.03 -3.54 0.08 0.00 0.50 0.00 0.00 46.19 43.19 1sm9 s LEU 82 CO -0.00 -1.02 1.09 0.86 -1.32 0.00 0.00 176.35 175.95 1sm9 s TRP 83 N 4.12 2.53 0.50 5.38 -0.11 -1.26 -1.91 118.94 128.20 1sm9 s TRP 83 Ca 0.52 1.44 0.24 0.00 1.22 0.00 0.00 56.10 59.52 1sm9 s TRP 83 Cb -0.14 -3.08 1.32 0.00 -1.50 0.00 0.00 33.47 30.07 1sm9 s TRP 83 CO 0.21 -1.96 1.96 -0.91 -4.62 0.00 0.00 176.95 171.64 1sm9 h ASN 84 N -1.24 0.10 0.75 5.86 2.35 -1.90 -2.39 115.58 119.12 1sm9 h ASN 84 Ca -0.45 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.30 1sm9 h ASN 84 Cb 1.25 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.60 1sm9 h ASN 84 CO 0.53 0.05 0.00 0.59 -1.65 0.00 0.00 177.43 176.95 1sm9 n ASN 85 N -4.39 0.00 -1.80 5.81 4.13 -1.26 -0.60 115.26 117.15 1sm9 n ASN 85 Ca 0.12 0.46 -0.19 0.00 1.68 0.00 0.00 54.58 56.65 1sm9 n ASN 85 Cb 0.63 -0.48 0.13 0.00 -1.54 0.00 0.00 39.78 38.52 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 -1.48 2.28 0.10 3.10 4.01 -0.90 -3.71 117.16 120.56 1sm9 n TYR 86 Ca 0.06 -2.14 -0.19 0.00 -0.16 0.00 0.00 57.90 55.46 1sm9 n TYR 86 Cb 0.26 -0.77 -0.15 0.00 -0.31 0.00 0.00 39.34 38.38 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 1.52 0.64 -1.55 -0.72 3.86 -1.75 -3.35 115.15 113.79 1sm9 h HIS 87 Ca 0.41 -0.47 -0.73 0.00 -1.16 0.00 0.00 60.37 58.42 1sm9 h HIS 87 Cb 1.59 -0.03 0.02 0.00 1.06 0.00 0.00 27.41 30.06 1sm9 h HIS 87 CO 1.18 1.44 0.81 -3.47 0.86 0.00 0.00 177.93 178.75 1sm9 n ASP 88 N -3.56 2.21 -0.40 2.45 -0.08 -1.26 -4.36 116.55 111.54 1sm9 n ASP 88 Ca -0.15 1.09 0.33 0.00 -1.51 0.00 0.00 54.79 54.54 1sm9 n ASP 88 Cb 1.06 -1.14 0.61 0.00 2.34 0.00 0.00 41.12 43.99 1sm9 n ASP 88 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1sm9 h PRO 89 N 6.66 0.17 0.00 -0.67 0.11 -1.87 0.12 132.00 136.52 1sm9 h PRO 89 Ca -0.47 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1sm9 h PRO 89 Cb 1.32 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1sm9 h PRO 89 CO 0.93 0.11 0.00 1.57 -0.21 0.00 0.00 178.00 180.40 1sm9 h LYS 90 N 0.17 0.00 0.00 1.05 2.10 -1.95 -2.86 116.57 115.09 1sm9 h LYS 90 Ca 0.74 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.39 1sm9 h LYS 90 Cb 2.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.58 1sm9 h LYS 90 CO -0.37 0.00 -0.94 0.09 -2.00 0.00 0.00 179.45 176.23 1sm9 n ASN 91 N -2.35 0.86 0.06 7.07 3.02 0.40 -4.61 115.26 119.70 1sm9 n ASN 91 Ca 0.03 -0.87 -0.13 0.00 -0.03 0.00 0.00 54.58 53.58 1sm9 n ASN 91 Cb 0.29 1.06 -0.08 0.00 -0.61 0.00 0.00 39.78 40.45 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 1.00 -0.18 2.41 2.07 -1.29 -2.00 116.25 118.27 1sm9 h VAL 92 Ca 0.00 -0.18 -0.09 0.00 0.82 0.00 0.00 66.70 67.26 1sm9 h VAL 92 Cb 0.47 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 1sm9 h VAL 92 CO 0.00 0.04 -0.27 -0.08 0.02 0.00 0.00 177.57 177.28 1sm9 h GLU 93 N -0.15 0.33 -0.42 1.57 4.81 -1.82 -1.18 114.58 117.72 1sm9 h GLU 93 Ca -0.01 -0.12 -0.10 0.00 -0.13 0.00 0.00 59.36 59.00 1sm9 h GLU 93 Cb 0.13 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 1sm9 h GLU 93 CO 0.01 0.58 -0.14 1.79 -0.73 0.00 0.00 179.01 180.53 1sm9 h THR 94 N 0.29 1.26 -0.29 0.32 1.35 -1.78 0.92 112.91 114.97 1sm9 h THR 94 Ca 0.04 -1.21 -0.08 0.00 -0.55 0.00 0.00 66.41 64.62 1sm9 h THR 94 Cb 0.64 1.09 -0.01 0.00 -1.73 0.00 0.00 68.15 68.13 1sm9 h THR 94 CO 0.05 0.41 -0.13 0.00 -0.25 0.00 0.00 175.52 175.60 1sm9 h ALA 95 N 1.15 0.41 -0.44 6.62 0.00 -0.96 -2.04 119.26 124.00 1sm9 h ALA 95 Ca 0.11 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 1sm9 h ALA 95 Cb 0.62 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 1sm9 h ALA 95 CO 0.04 0.29 0.12 1.25 0.00 0.00 0.00 179.25 180.95 1sm9 h LEU 96 N 0.36 0.60 -0.32 0.00 5.85 -0.99 -2.11 115.31 118.70 1sm9 h LEU 96 Ca 0.07 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 1sm9 h LEU 96 Cb 0.64 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 1sm9 h LEU 96 CO 0.04 0.59 0.09 0.78 -0.34 0.00 0.00 178.44 179.60 1sm9 h ASN 97 N 0.64 0.48 -0.68 1.25 2.35 -0.61 0.12 115.58 119.13 1sm9 h ASN 97 Ca 0.15 -0.22 0.06 0.00 -0.55 0.00 0.00 56.30 55.73 1sm9 h ASN 97 Cb 0.23 -0.13 -0.04 0.00 0.05 0.00 0.00 38.32 38.43 1sm9 h ASN 97 CO -0.00 0.58 0.45 0.50 -1.65 0.00 0.00 177.43 177.30 1sm9 h LYS 98 N 0.36 0.69 -0.26 0.81 1.63 -1.02 0.84 116.57 119.64 1sm9 h LYS 98 Ca 0.10 -0.04 -0.12 0.00 -0.85 0.00 0.00 60.65 59.74 1sm9 h LYS 98 Cb 0.28 -0.16 -0.00 0.00 -0.60 0.00 0.00 32.23 31.75 1sm9 h LYS 98 CO -0.00 0.46 -0.32 1.15 -3.45 0.00 0.00 179.45 177.29 1sm9 h THR 99 N 0.71 1.31 -0.19 1.00 2.02 -0.75 -2.42 112.91 114.60 1sm9 h THR 99 Ca 0.29 -1.50 -0.00 0.00 0.77 0.00 0.00 66.41 65.96 1sm9 h THR 99 Cb 0.23 1.68 -0.01 0.00 -1.74 0.00 0.00 68.15 68.31 1sm9 h THR 99 CO -0.09 0.47 0.10 -0.07 0.37 0.00 0.00 175.52 176.31 1sm9 h LEU 100 N 0.39 0.23 0.18 2.58 3.38 0.26 -1.51 115.31 120.82 1sm9 h LEU 100 Ca 0.03 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1sm9 h LEU 100 Cb 0.89 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.59 1sm9 h LEU 100 CO 0.08 0.25 -0.09 0.00 0.09 0.00 0.00 178.44 178.76 1sm9 h ALA 101 N 1.00 -0.25 -0.21 1.53 0.00 -0.92 0.98 119.26 121.39 1sm9 h ALA 101 Ca 0.07 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 54.97 1sm9 h ALA 101 Cb 0.06 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 1sm9 h ALA 101 CO -0.01 -0.64 -0.14 -0.44 0.00 0.00 0.00 179.25 178.02 1sm9 h ASP 102 N -0.25 -0.46 0.69 0.00 5.19 -1.36 0.20 116.42 120.43 1sm9 h ASP 102 Ca -0.02 0.10 0.00 0.00 -0.62 0.00 0.00 57.03 56.48 1sm9 h ASP 102 Cb 0.19 0.24 0.00 0.00 0.18 0.00 0.00 39.33 39.94 1sm9 h ASP 102 CO 0.04 -0.18 0.00 0.18 -3.12 0.00 0.00 179.24 176.16 1sm9 n LEU 103 N -5.30 0.21 -3.49 1.55 4.77 -0.58 -4.02 117.00 110.15 1sm9 n LEU 103 Ca -0.01 0.54 -0.19 0.00 -0.03 0.00 0.00 56.01 56.32 1sm9 n LEU 103 Cb 0.22 -0.51 0.07 0.00 -2.33 0.00 0.00 43.42 40.87 1sm9 n LEU 103 CO 0.20 -0.28 0.04 0.29 -1.33 0.00 0.00 177.39 176.30 1sm9 n LYS 104 N -1.72 -5.06 -4.06 3.23 5.02 0.70 -4.57 118.16 111.71 1sm9 n LYS 104 Ca 0.04 0.77 -0.09 0.00 -2.02 0.00 0.00 58.31 57.00 1sm9 n LYS 104 Cb 0.22 -5.58 -0.09 0.00 -0.02 0.00 0.00 35.03 29.57 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 -3.46 0.10 -0.13 -0.18 -7.23 -0.75 -5.02 120.40 103.73 1sm9 s VAL 105 Ca 0.11 -1.66 0.15 0.00 -1.81 0.00 0.00 61.98 58.77 1sm9 s VAL 105 Cb -0.02 -1.90 -0.03 0.00 0.56 0.00 0.00 36.38 34.98 1sm9 s VAL 105 CO 0.76 -0.43 1.18 0.44 -0.31 0.00 0.00 175.10 176.74 1sm9 h ASP 106 N 2.74 0.00 -5.09 4.85 3.32 -1.95 -3.41 116.42 116.88 1sm9 h ASP 106 Ca -0.34 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.63 1sm9 h ASP 106 Cb 1.21 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.61 1sm9 h ASP 106 CO 0.55 0.55 -0.26 -0.72 -1.72 0.00 0.00 179.24 177.64 1sm9 s TYR 107 N -2.94 -0.04 0.03 4.55 -0.85 -1.26 -4.64 117.35 112.20 1sm9 s TYR 107 Ca 0.01 -0.22 0.03 0.00 -0.52 0.00 0.00 57.07 56.37 1sm9 s TYR 107 Cb 0.08 0.08 -0.04 0.00 0.38 0.00 0.00 41.96 42.46 1sm9 s TYR 107 CO 0.78 -0.55 -0.01 0.14 -1.52 0.00 0.00 175.55 174.39 1sm9 s VAL 108 N -3.19 4.06 0.26 -3.49 -7.23 -0.99 -4.98 120.40 104.83 1sm9 s VAL 108 Ca -0.00 -0.76 0.09 0.00 -1.81 0.00 0.00 61.98 59.49 1sm9 s VAL 108 Cb 0.01 -2.85 -0.04 0.00 0.56 0.00 0.00 36.38 34.06 1sm9 s VAL 108 CO -0.07 0.28 1.59 0.44 -0.31 0.00 0.00 175.10 177.03 1sm9 h ASP 109 N 4.02 0.07 -3.18 4.85 3.32 -1.52 -2.02 116.42 121.95 1sm9 h ASP 109 Ca -0.48 -0.04 -0.18 0.00 0.02 0.00 0.00 57.03 56.34 1sm9 h ASP 109 Cb 1.17 -0.02 -0.30 0.00 0.22 0.00 0.00 39.33 40.40 1sm9 h ASP 109 CO 0.58 0.68 -0.45 -0.22 -1.72 0.00 0.00 179.24 178.11 1sm9 s LEU 110 N -7.67 0.11 -0.17 1.55 2.96 -0.78 -1.47 118.68 113.21 1sm9 s LEU 110 Ca -0.02 0.63 0.01 0.00 -0.22 0.00 0.00 54.13 54.53 1sm9 s LEU 110 Cb 0.12 0.88 0.03 0.00 0.50 0.00 0.00 46.19 47.72 1sm9 s LEU 110 CO 0.77 -0.19 -0.14 0.12 -1.32 0.00 0.00 176.35 175.59 1sm9 s PHE 111 N 1.60 2.35 0.07 5.38 5.36 -0.69 -0.65 117.98 131.40 1sm9 s PHE 111 Ca -0.07 -1.41 0.06 0.00 -0.96 0.00 0.00 56.93 54.56 1sm9 s PHE 111 Cb -0.10 -1.67 -0.04 0.00 -0.34 0.00 0.00 43.02 40.87 1sm9 s PHE 111 CO -0.10 -0.72 -0.11 -0.51 -1.46 0.00 0.00 175.22 172.33 1sm9 s LEU 112 N 1.42 2.98 -0.29 6.12 1.43 -0.71 -2.05 118.68 127.57 1sm9 s LEU 112 Ca 0.03 -0.36 -0.29 0.00 -1.03 0.00 0.00 54.13 52.49 1sm9 s LEU 112 Cb -0.14 -1.76 0.00 0.00 0.03 0.00 0.00 46.19 44.32 1sm9 s LEU 112 CO -0.10 0.21 1.30 -0.63 0.23 0.00 0.00 176.35 177.36 1sm9 s ILE 113 N -1.12 4.15 0.25 -0.59 1.01 -0.69 -0.20 121.20 124.01 1sm9 s ILE 113 Ca 0.19 1.30 -0.05 0.00 0.00 0.00 0.00 60.65 62.09 1sm9 s ILE 113 Cb -0.11 -4.15 0.24 0.00 0.01 0.00 0.00 42.46 38.46 1sm9 s ILE 113 CO 0.11 -0.46 1.88 -0.74 0.00 0.00 0.00 174.94 175.73 1sm9 h HIS 114 N 9.25 1.12 -2.99 3.97 2.76 -1.67 -1.61 115.15 125.99 1sm9 h HIS 114 Ca -0.26 0.03 -0.12 0.00 -2.20 0.00 0.00 60.37 57.81 1sm9 h HIS 114 Cb 1.10 -0.37 -0.21 0.00 1.55 0.00 0.00 27.41 29.47 1sm9 h HIS 114 CO 0.88 0.61 -0.28 -0.06 -1.30 0.00 0.00 177.93 177.78 1sm9 s PHE 115 N -6.07 -0.24 -1.48 5.26 0.08 -1.25 -4.34 117.98 109.93 1sm9 s PHE 115 Ca -0.13 0.46 -0.08 0.00 0.12 0.00 0.00 56.93 57.31 1sm9 s PHE 115 Cb 0.19 0.11 0.01 0.00 -0.57 0.00 0.00 43.02 42.76 1sm9 s PHE 115 CO 0.80 -0.33 2.68 -0.35 -0.10 0.00 0.00 175.22 177.92 1sm9 n PRO 116 N 1.74 4.13 -4.20 0.24 -0.04 -1.26 -4.77 135.00 130.84 1sm9 n PRO 116 Ca -0.19 -2.81 -0.17 0.00 -0.04 0.00 0.00 63.50 60.29 1sm9 n PRO 116 Cb 0.56 -2.72 -0.15 0.00 -0.04 0.00 0.00 33.50 31.15 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 0.59 0.48 -0.40 0.52 1.01 -1.26 -5.02 121.20 117.11 1sm9 s ILE 117 Ca 0.62 -0.24 0.03 0.00 0.00 0.00 0.00 60.65 61.06 1sm9 s ILE 117 Cb 0.18 -0.42 0.11 0.00 0.01 0.00 0.00 42.46 42.35 1sm9 s ILE 117 CO -0.08 0.14 0.15 0.00 0.00 0.00 0.00 174.94 175.16 1sm9 s ALA 118 N -0.01 2.62 0.68 9.38 0.00 -1.26 -4.56 121.76 128.61 1sm9 s ALA 118 Ca 0.01 -2.59 -0.11 0.00 0.00 0.00 0.00 51.96 49.26 1sm9 s ALA 118 Cb -0.04 -1.94 0.00 0.00 0.00 0.00 0.00 23.12 21.14 1sm9 s ALA 118 CO -0.00 -1.84 1.06 -0.06 0.00 0.00 0.00 175.76 174.91 1sm9 s PHE 119 N 0.61 3.11 0.27 0.00 0.08 0.23 -0.76 117.98 121.53 1sm9 s PHE 119 Ca 0.14 1.43 -0.30 0.00 0.12 0.00 0.00 56.93 58.32 1sm9 s PHE 119 Cb -0.22 -2.89 -0.10 0.00 -0.57 0.00 0.00 43.02 39.24 1sm9 s PHE 119 CO -0.07 -1.20 1.42 0.21 -0.10 0.00 0.00 175.22 175.48 1sm9 s LYS 120 N -4.92 4.27 0.43 0.44 2.20 0.15 -4.27 119.74 118.05 1sm9 s LYS 120 Ca 0.59 2.31 -0.25 0.00 -0.36 0.00 0.00 55.97 58.25 1sm9 s LYS 120 Cb -0.14 -3.09 -0.10 0.00 -1.51 0.00 0.00 37.83 32.99 1sm9 s LYS 120 CO 0.52 -0.39 1.15 0.34 -0.36 0.00 0.00 175.35 176.61 1sm9 n PHE 121 N 1.94 1.67 -3.81 4.03 7.35 -1.24 -4.77 117.46 122.63 1sm9 n PHE 121 Ca 0.05 0.53 -0.21 0.00 -0.76 0.00 0.00 57.45 57.06 1sm9 n PHE 121 Cb 0.40 -2.30 -0.17 0.00 0.35 0.00 0.00 39.48 37.76 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 -1.24 0.26 0.39 -2.13 1.01 -1.26 -4.83 120.40 112.61 1sm9 s VAL 122 Ca 0.63 0.16 -0.27 0.00 0.00 0.00 0.00 61.98 62.50 1sm9 s VAL 122 Cb -0.53 -0.42 -0.11 0.00 0.00 0.00 0.00 36.38 35.33 1sm9 s VAL 122 CO 0.57 0.22 1.31 -2.65 0.00 0.00 0.00 175.10 174.55 1sm9 n PRO 123 N 4.93 2.10 -0.30 2.72 -0.02 -1.26 -4.89 135.00 138.27 1sm9 n PRO 123 Ca -0.11 0.74 0.07 0.00 -2.02 0.00 0.00 63.50 62.18 1sm9 n PRO 123 Cb 0.50 -2.41 0.22 0.00 -0.02 0.00 0.00 33.50 31.80 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 2.35 0.76 0.00 4.25 2.04 -2.01 -0.89 117.51 124.01 1sm9 h ILE 124 Ca -0.48 -0.23 -0.04 0.00 1.00 0.00 0.00 64.86 65.11 1sm9 h ILE 124 Cb 1.28 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 1sm9 h ILE 124 CO 0.61 0.12 -0.19 -0.08 0.00 0.00 0.00 178.15 178.62 1sm9 h GLU 125 N 0.67 0.00 -0.00 2.37 4.81 -2.00 -3.02 114.58 117.41 1sm9 h GLU 125 Ca 0.46 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 59.46 1sm9 h GLU 125 Cb 0.63 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.01 1sm9 h GLU 125 CO -0.34 0.19 -0.96 1.49 -0.73 0.00 0.00 179.01 178.66 1sm9 h GLU 126 N 0.00 0.46 -1.25 1.92 4.81 -1.52 -3.46 114.58 115.55 1sm9 h GLU 126 Ca -0.00 -0.50 0.15 0.00 -0.13 0.00 0.00 59.36 58.88 1sm9 h GLU 126 Cb 0.52 0.14 -0.27 0.00 0.63 0.00 0.00 28.75 29.77 1sm9 h GLU 126 CO 0.02 1.14 0.38 0.21 -0.73 0.00 0.00 179.01 180.04 1sm9 s LYS 127 N -3.28 0.30 -0.22 1.92 2.20 -1.10 -5.05 119.74 114.50 1sm9 s LYS 127 Ca -0.06 0.59 -0.09 0.00 -0.36 0.00 0.00 55.97 56.04 1sm9 s LYS 127 Cb 0.08 0.18 0.09 0.00 -1.51 0.00 0.00 37.83 36.68 1sm9 s LYS 127 CO 0.88 -0.07 0.50 -0.47 -0.36 0.00 0.00 175.35 175.82 1sm9 s TYR 128 N 1.69 -0.90 0.41 4.03 5.04 -1.24 -3.63 117.35 122.74 1sm9 s TYR 128 Ca -0.06 1.72 -0.24 0.00 -2.44 0.00 0.00 57.07 56.04 1sm9 s TYR 128 Cb -0.04 0.44 -0.09 0.00 0.35 0.00 0.00 41.96 42.62 1sm9 s TYR 128 CO -0.15 -0.50 1.10 -1.25 -1.34 0.00 0.00 175.55 173.41 1sm9 s PRO 129 N 2.32 4.08 0.48 4.97 0.04 -1.26 -5.04 135.00 140.59 1sm9 s PRO 129 Ca -0.05 1.66 0.28 0.00 0.04 0.00 0.00 61.00 62.92 1sm9 s PRO 129 Cb -0.10 -2.58 1.07 0.00 0.04 0.00 0.00 34.50 32.93 1sm9 s PRO 129 CO -0.15 -0.25 1.88 -1.00 0.04 0.00 0.00 177.00 177.52 1sm9 h PRO 130 N 2.50 0.00 0.00 0.56 0.13 -1.92 -3.48 132.00 129.79 1sm9 h PRO 130 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1sm9 h PRO 130 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1sm9 h PRO 130 CO 0.62 0.13 0.00 0.41 -0.23 0.00 0.00 178.00 178.93 1sm9 n GLY 131 N 0.13 3.58 0.58 1.56 0.00 -1.26 -0.66 105.19 109.12 1sm9 n GLY 131 Ca 0.00 -0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.09 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 14.00 0.20 -2.20 1.61 3.72 -1.26 -4.90 117.46 128.63 1sm9 n PHE 132 Ca 0.00 -0.10 -0.42 0.00 -0.05 0.00 0.00 57.45 56.88 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 -1.80 3.25 0.00 1.38 5.04 0.17 -4.81 117.35 120.58 1sm9 s TYR 133 Ca 0.33 1.12 0.00 0.00 -2.44 0.00 0.00 57.07 56.08 1sm9 s TYR 133 Cb 0.18 -3.63 0.00 0.00 0.35 0.00 0.00 41.96 38.86 1sm9 s TYR 133 CO 0.27 -2.07 0.95 0.00 -1.34 0.00 0.00 175.55 173.36 1sm9 n GLY 135 N -0.45 0.46 2.33 0.00 0.00 -1.26 -4.63 105.19 101.63 1sm9 n GLY 135 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 0.00 -0.33 0.00 1.61 2.03 -1.26 -5.10 116.55 113.50 1sm9 n ASP 136 Ca 0.00 -2.50 0.00 0.00 0.52 0.00 0.00 54.79 52.81 1sm9 n ASP 136 Cb 0.00 -0.53 0.00 0.00 -0.72 0.00 0.00 41.12 39.87 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 2.32 3.45 1.51 0.27 0.00 -1.26 -1.40 105.19 110.08 1sm9 n GLY 137 Ca 0.26 -0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.32 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 4.56 4.47 -4.85 1.61 3.02 -1.26 -4.56 115.26 118.24 1sm9 n ASN 138 Ca 0.00 -2.49 -0.33 0.00 -0.03 0.00 0.00 54.58 51.73 1sm9 n ASN 138 Cb 0.00 -0.57 -0.06 0.00 -0.61 0.00 0.00 39.78 38.54 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 -0.80 6.75 0.01 6.41 0.01 -0.50 -5.03 114.94 121.80 1sm9 s ASN 139 Ca 0.46 1.07 -0.20 0.00 -0.71 0.00 0.00 52.86 53.48 1sm9 s ASN 139 Cb 0.31 -2.29 -0.06 0.00 0.41 0.00 0.00 41.25 39.62 1sm9 s ASN 139 CO 0.20 -0.03 0.59 -0.36 -1.51 0.00 0.00 177.10 175.99 1sm9 s PHE 140 N -1.71 3.71 -0.03 2.20 0.40 -1.26 -4.09 117.98 117.20 1sm9 s PHE 140 Ca 0.45 1.21 0.01 0.00 -0.60 0.00 0.00 56.93 58.00 1sm9 s PHE 140 Cb -0.13 -2.58 0.03 0.00 0.51 0.00 0.00 43.02 40.85 1sm9 s PHE 140 CO 0.20 0.41 -0.01 0.08 0.70 0.00 0.00 175.22 176.59 1sm9 s VAL 141 N -0.40 0.29 0.30 -0.44 1.01 -1.26 -5.06 120.40 114.84 1sm9 s VAL 141 Ca 0.30 0.02 0.09 0.00 0.00 0.00 0.00 61.98 62.39 1sm9 s VAL 141 Cb -0.18 -0.37 -0.04 0.00 0.00 0.00 0.00 36.38 35.79 1sm9 s VAL 141 CO 0.17 0.17 0.10 -0.31 0.00 0.00 0.00 175.10 175.24 1sm9 s TYR 142 N 1.00 2.77 0.03 5.22 2.02 -1.26 0.33 117.35 127.46 1sm9 s TYR 142 Ca -0.10 -0.27 0.07 0.00 -0.37 0.00 0.00 57.07 56.39 1sm9 s TYR 142 Cb -0.14 -1.43 -0.03 0.00 -0.40 0.00 0.00 41.96 39.96 1sm9 s TYR 142 CO -0.01 0.47 -0.18 -1.21 -1.57 0.00 0.00 175.55 173.05 1sm9 s GLU 143 N -3.78 2.11 -1.33 -0.62 2.02 0.06 -4.59 118.70 112.56 1sm9 s GLU 143 Ca 0.35 -0.95 -0.13 0.00 0.02 0.00 0.00 54.97 54.25 1sm9 s GLU 143 Cb -0.05 -2.20 0.11 0.00 0.10 0.00 0.00 34.13 32.09 1sm9 s GLU 143 CO 0.22 0.55 1.90 -0.25 0.02 0.00 0.00 175.26 177.70 1sm9 n ASP 144 N 1.64 4.67 -4.02 -0.19 8.00 -1.26 -4.77 116.55 120.62 1sm9 n ASP 144 Ca -0.16 -2.96 -0.31 0.00 0.71 0.00 0.00 54.79 52.06 1sm9 n ASP 144 Cb 0.52 -1.60 -0.15 0.00 -0.02 0.00 0.00 41.12 39.87 1sm9 n ASP 144 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1sm9 s VAL 145 N 2.21 2.12 0.71 2.53 1.01 -1.26 -5.11 120.40 122.61 1sm9 s VAL 145 Ca 0.45 -1.94 -0.16 0.00 0.00 0.00 0.00 61.98 60.33 1sm9 s VAL 145 Cb 0.08 -2.41 0.02 0.00 0.00 0.00 0.00 36.38 34.07 1sm9 s VAL 145 CO -0.01 -0.34 1.20 -2.65 0.00 0.00 0.00 175.10 173.30 1sm9 n PRO 146 N 4.38 0.73 -0.19 2.72 -0.02 -1.26 -4.87 135.00 136.48 1sm9 n PRO 146 Ca -0.05 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 1sm9 n PRO 146 Cb 0.42 -2.44 0.10 0.00 -0.02 0.00 0.00 33.50 31.56 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 -0.03 0.60 -0.60 4.25 1.08 -1.99 -2.02 117.51 118.80 1sm9 h ILE 147 Ca -0.49 -0.07 0.09 0.00 -0.39 0.00 0.00 64.86 64.00 1sm9 h ILE 147 Cb 1.33 0.38 -0.04 0.00 -3.07 0.00 0.00 36.82 35.42 1sm9 h ILE 147 CO 0.50 0.04 0.40 0.25 -0.69 0.00 0.00 178.15 178.65 1sm9 h LEU 148 N 0.20 0.43 -0.41 1.44 5.85 -1.98 0.17 115.31 121.01 1sm9 h LEU 148 Ca 0.31 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 59.01 1sm9 h LEU 148 Cb 0.47 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 1sm9 h LEU 148 CO -0.43 0.26 0.17 -0.33 -0.34 0.00 0.00 178.44 177.77 1sm9 h GLU 149 N 0.48 0.61 -0.60 1.25 5.08 -1.71 0.07 114.58 119.75 1sm9 h GLU 149 Ca 0.27 -0.11 -0.07 0.00 -1.00 0.00 0.00 59.36 58.46 1sm9 h GLU 149 Cb 0.45 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 1sm9 h GLU 149 CO -0.08 0.56 0.12 1.15 -1.00 0.00 0.00 179.01 179.76 1sm9 h THR 150 N 0.51 1.26 -0.78 1.13 2.02 -1.13 -2.65 112.91 113.26 1sm9 h THR 150 Ca 0.14 -0.96 -0.04 0.00 0.77 0.00 0.00 66.41 66.32 1sm9 h THR 150 Cb 0.18 0.73 -0.03 0.00 -1.74 0.00 0.00 68.15 67.28 1sm9 h THR 150 CO -0.01 0.35 0.34 -0.25 0.37 0.00 0.00 175.52 176.32 1sm9 h TRP 151 N 0.88 1.16 -0.75 3.16 2.91 -0.34 -2.06 115.95 120.91 1sm9 h TRP 151 Ca 0.18 -0.08 -0.06 0.00 1.13 0.00 0.00 58.89 60.07 1sm9 h TRP 151 Cb 0.39 -0.35 -0.03 0.00 -0.51 0.00 0.00 29.16 28.66 1sm9 h TRP 151 CO 0.03 0.87 0.24 0.87 -1.03 0.00 0.00 178.44 179.42 1sm9 h LYS 152 N 1.12 1.17 -0.28 2.65 1.57 -0.85 -1.10 116.57 120.85 1sm9 h LYS 152 Ca 0.26 -0.25 0.03 0.00 -1.87 0.00 0.00 60.65 58.83 1sm9 h LYS 152 Cb 0.18 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 1sm9 h LYS 152 CO -0.03 0.99 0.07 0.00 -0.57 0.00 0.00 179.45 179.91 1sm9 h ALA 153 N 1.12 0.30 -0.96 3.86 0.00 -1.11 -1.72 119.26 120.76 1sm9 h ALA 153 Ca 0.24 0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.27 1sm9 h ALA 153 Cb 0.31 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.07 1sm9 h ALA 153 CO -0.01 -0.34 0.62 -0.07 0.00 0.00 0.00 179.25 179.45 1sm9 h LEU 154 N 0.18 0.95 -0.49 0.00 3.38 -0.74 -2.19 115.31 116.41 1sm9 h LEU 154 Ca 0.13 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 1sm9 h LEU 154 Cb 0.11 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1sm9 h LEU 154 CO -0.15 0.59 0.27 -0.33 0.09 0.00 0.00 178.44 178.91 1sm9 h GLU 155 N 1.07 0.69 -0.59 1.13 5.08 -0.37 -1.90 114.58 119.68 1sm9 h GLU 155 Ca 0.42 -0.08 0.04 0.00 -1.00 0.00 0.00 59.36 58.75 1sm9 h GLU 155 Cb 0.25 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.32 1sm9 h GLU 155 CO -0.18 0.54 0.33 0.87 -1.00 0.00 0.00 179.01 179.58 1sm9 h LYS 156 N 0.65 0.62 0.00 2.33 1.79 -0.78 -0.51 116.57 120.68 1sm9 h LYS 156 Ca 0.17 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.60 1sm9 h LYS 156 Cb 0.05 -0.14 -0.00 0.00 -1.58 0.00 0.00 32.23 30.56 1sm9 h LYS 156 CO -0.03 0.41 -0.05 -0.07 -1.08 0.00 0.00 179.45 178.63 1sm9 h LEU 157 N 0.64 0.00 0.02 2.94 3.38 -0.88 0.22 115.31 121.63 1sm9 h LEU 157 Ca 0.25 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.05 1sm9 h LEU 157 Cb 0.11 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.88 1sm9 h LEU 157 CO -0.15 0.05 -0.68 0.58 0.09 0.00 0.00 178.44 178.33 1sm9 h VAL 158 N 0.00 1.43 -0.94 1.22 2.07 -0.37 -2.54 116.25 117.12 1sm9 h VAL 158 Ca -0.00 -2.17 0.06 0.00 0.82 0.00 0.00 66.70 65.41 1sm9 h VAL 158 Cb 0.18 2.67 -0.06 0.00 -1.52 0.00 0.00 31.29 32.56 1sm9 h VAL 158 CO 0.01 0.63 0.59 0.00 0.02 0.00 0.00 177.57 178.82 1sm9 h ALA 159 N 0.29 1.29 0.00 1.67 0.00 -0.34 -0.03 119.26 122.14 1sm9 h ALA 159 Ca -0.09 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1sm9 h ALA 159 Cb 1.40 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1sm9 h ALA 159 CO 0.13 0.37 0.00 0.00 0.00 0.00 0.00 179.25 179.75 1sm9 n ALA 160 N -2.36 2.08 -0.85 0.00 0.00 -0.05 -4.85 120.51 114.49 1sm9 n ALA 160 Ca 0.14 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1sm9 n ALA 160 Cb 0.18 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.62 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 0.08 0.29 0.03 0.00 0.00 -0.03 -4.86 105.19 100.71 1sm9 n GLY 161 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.28 0.13 -3.83 1.61 5.02 -0.96 -4.70 118.16 114.14 1sm9 n LYS 162 Ca 0.00 -0.06 -0.13 0.00 -2.02 0.00 0.00 58.31 56.10 1sm9 n LYS 162 Cb 0.15 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.52 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 -2.91 -0.01 -0.13 -0.18 1.01 -1.20 -2.36 121.20 115.42 1sm9 s ILE 163 Ca 0.15 0.05 -0.14 0.00 0.00 0.00 0.00 60.65 60.71 1sm9 s ILE 163 Cb 0.18 -0.11 -0.25 0.00 0.01 0.00 0.00 42.46 42.30 1sm9 s ILE 163 CO 0.61 0.02 0.40 0.11 0.00 0.00 0.00 174.94 176.09 1sm9 h LYS 164 N 6.37 0.20 -4.14 2.79 1.79 -1.48 -3.40 116.57 118.70 1sm9 h LYS 164 Ca -0.30 -0.33 -0.23 0.00 -2.18 0.00 0.00 60.65 57.61 1sm9 h LYS 164 Cb 1.19 0.12 -0.24 0.00 -1.58 0.00 0.00 32.23 31.72 1sm9 h LYS 164 CO 0.47 1.16 -0.72 -1.12 -1.08 0.00 0.00 179.45 178.16 1sm9 s SER 165 N -7.00 0.41 0.18 0.86 0.01 -0.54 -4.98 113.70 102.64 1sm9 s SER 165 Ca -0.23 -0.35 0.10 0.00 1.31 0.00 0.00 55.95 56.78 1sm9 s SER 165 Cb 0.06 0.04 -0.04 0.00 0.21 0.00 0.00 66.02 66.28 1sm9 s SER 165 CO 0.73 -0.16 -0.21 0.27 0.41 0.00 0.00 173.24 174.28 1sm9 s ILE 166 N -0.94 2.09 0.10 1.44 -4.36 -1.26 -1.70 121.20 116.56 1sm9 s ILE 166 Ca -0.08 -1.98 -0.05 0.00 -0.26 0.00 0.00 60.65 58.28 1sm9 s ILE 166 Cb -0.07 -1.98 0.02 0.00 1.25 0.00 0.00 42.46 41.68 1sm9 s ILE 166 CO -0.00 -0.22 0.24 0.61 0.24 0.00 0.00 174.94 175.81 1sm9 n GLY 167 N 0.28 1.58 3.36 6.27 0.00 -0.87 -0.99 105.19 114.82 1sm9 n GLY 167 Ca -0.13 -1.06 -0.18 0.00 0.00 0.00 0.00 46.02 44.64 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 -2.68 1.28 -0.02 1.61 -7.23 0.11 -1.70 120.40 111.78 1sm9 s VAL 168 Ca 0.05 -2.07 -0.02 0.00 -1.81 0.00 0.00 61.98 58.13 1sm9 s VAL 168 Cb -0.01 -2.35 0.00 0.00 0.56 0.00 0.00 36.38 34.58 1sm9 s VAL 168 CO 0.03 -0.35 0.05 -0.55 -0.31 0.00 0.00 175.10 173.97 1sm9 s SER 169 N -3.35 -0.04 -1.26 4.85 0.15 -0.61 -1.03 113.70 112.42 1sm9 s SER 169 Ca 0.28 0.06 -0.06 0.00 0.70 0.00 0.00 55.95 56.93 1sm9 s SER 169 Cb 0.05 0.10 0.01 0.00 -1.71 0.00 0.00 66.02 64.47 1sm9 s SER 169 CO 0.09 -0.04 0.80 0.59 1.20 0.00 0.00 173.24 175.88 1sm9 n ASN 170 N 2.94 -5.69 -4.50 5.45 3.02 -0.52 -3.96 115.26 112.01 1sm9 n ASN 170 Ca -0.13 -0.37 -0.37 0.00 -0.03 0.00 0.00 54.58 53.68 1sm9 n ASN 170 Cb 0.59 -4.40 -0.12 0.00 -0.61 0.00 0.00 39.78 35.25 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 -3.19 3.13 0.96 3.10 0.40 -1.26 -4.44 117.98 116.67 1sm9 s PHE 171 Ca 0.40 -0.23 -0.13 0.00 -0.60 0.00 0.00 56.93 56.37 1sm9 s PHE 171 Cb -0.18 -2.29 0.16 0.00 0.51 0.00 0.00 43.02 41.23 1sm9 s PHE 171 CO 0.49 -0.29 1.14 -1.25 0.70 0.00 0.00 175.22 176.02 1sm9 s PRO 172 N 1.65 0.77 0.26 0.24 0.04 -1.26 -4.76 135.00 131.94 1sm9 s PRO 172 Ca 0.07 0.24 -0.03 0.00 0.04 0.00 0.00 61.00 61.31 1sm9 s PRO 172 Cb -0.15 -1.80 0.38 0.00 0.04 0.00 0.00 34.50 32.96 1sm9 s PRO 172 CO 0.06 -2.44 1.87 0.78 0.04 0.00 0.00 177.00 177.32 1sm9 h GLY 173 N -1.67 1.45 1.17 0.56 0.00 -1.97 -1.70 103.07 100.91 1sm9 h GLY 173 Ca -0.50 -0.45 -0.07 0.00 0.00 0.00 0.00 47.33 46.31 1sm9 h GLY 173 CO 0.57 0.32 0.11 0.00 0.00 0.00 0.00 176.54 177.54 1sm9 h ALA 174 N 1.44 1.01 -0.24 3.60 0.00 -1.99 -0.19 119.26 122.88 1sm9 h ALA 174 Ca 0.41 -0.25 -0.20 0.00 0.00 0.00 0.00 54.91 54.87 1sm9 h ALA 174 Cb 0.16 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1sm9 h ALA 174 CO -0.17 0.63 -0.62 1.25 0.00 0.00 0.00 179.25 180.34 1sm9 h LEU 175 N 0.96 0.97 -0.66 0.00 5.85 -1.88 -1.64 115.31 118.90 1sm9 h LEU 175 Ca 0.20 -0.56 -0.01 0.00 0.84 0.00 0.00 57.88 58.34 1sm9 h LEU 175 Cb 0.40 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 1sm9 h LEU 175 CO 0.01 1.36 0.36 0.25 -0.34 0.00 0.00 178.44 180.07 1sm9 h LEU 176 N 0.62 0.83 -0.39 2.25 5.85 -1.06 -1.67 115.31 121.74 1sm9 h LEU 176 Ca -0.01 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 1sm9 h LEU 176 Cb 1.24 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 42.04 1sm9 h LEU 176 CO 0.13 0.69 0.21 0.25 -0.34 0.00 0.00 178.44 179.38 1sm9 h LEU 177 N 0.90 0.49 -0.79 2.25 5.85 -0.89 -1.39 115.31 121.72 1sm9 h LEU 177 Ca 0.23 -0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.82 1sm9 h LEU 177 Cb 0.05 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 40.92 1sm9 h LEU 177 CO -0.04 0.44 0.34 -0.78 -0.34 0.00 0.00 178.44 178.07 1sm9 h ASP 178 N 0.50 1.07 -0.87 1.25 3.58 -1.00 -2.05 116.42 118.91 1sm9 h ASP 178 Ca 0.14 -0.16 -0.02 0.00 0.42 0.00 0.00 57.03 57.41 1sm9 h ASP 178 Cb 0.06 -0.28 -0.04 0.00 1.72 0.00 0.00 39.33 40.79 1sm9 h ASP 178 CO -0.02 0.94 0.48 0.25 -2.88 0.00 0.00 179.24 178.01 1sm9 h LEU 179 N 1.14 1.09 -2.40 2.28 5.85 -1.06 -1.12 115.31 121.08 1sm9 h LEU 179 Ca 0.27 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.89 1sm9 h LEU 179 Cb 0.18 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 40.93 1sm9 h LEU 179 CO -0.03 0.87 0.00 -0.07 -0.34 0.00 0.00 178.44 178.87 1sm9 h LEU 180 N 1.22 0.00 0.00 2.25 3.38 -0.54 0.12 115.31 121.75 1sm9 h LEU 180 Ca 0.31 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.20 1sm9 h LEU 180 Cb 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1sm9 h LEU 180 CO -0.05 0.00 -0.57 0.03 0.09 0.00 0.00 178.44 177.94 1sm9 h ARG 181 N 0.00 0.00 0.00 1.13 3.08 -0.90 -3.36 114.38 114.33 1sm9 h ARG 181 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1sm9 h ARG 181 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.22 1sm9 h ARG 181 CO 0.00 0.32 -1.31 0.41 -1.07 0.00 0.00 179.97 178.32 1sm9 n GLY 182 N 1.22 -0.50 3.78 0.04 0.00 -0.20 -5.02 105.19 104.50 1sm9 n GLY 182 Ca 0.01 -0.34 -0.36 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.72 2.92 -0.26 4.61 0.00 0.26 -4.96 121.76 121.60 1sm9 s ALA 183 Ca -0.02 0.85 -0.10 0.00 0.00 0.00 0.00 51.96 52.69 1sm9 s ALA 183 Cb 0.09 -3.35 -0.12 0.00 0.00 0.00 0.00 23.12 19.73 1sm9 s ALA 183 CO 0.55 -0.59 -0.32 2.41 0.00 0.00 0.00 175.76 177.81 1sm9 n THR 184 N -0.65 1.45 -3.29 0.00 -1.04 -1.26 -4.79 114.28 104.70 1sm9 n THR 184 Ca 0.08 -0.40 -0.40 0.00 -2.04 0.00 0.00 64.05 61.29 1sm9 n THR 184 Cb 0.49 -1.77 -0.08 0.00 -1.82 0.00 0.00 70.33 67.15 1sm9 n THR 184 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1sm9 s ILE 185 N -2.49 5.08 0.42 12.58 1.01 -1.26 -5.05 121.20 131.50 1sm9 s ILE 185 Ca -0.36 0.60 -0.24 0.00 0.00 0.00 0.00 60.65 60.64 1sm9 s ILE 185 Cb 0.13 -3.83 -0.08 0.00 0.01 0.00 0.00 42.46 38.69 1sm9 s ILE 185 CO 0.49 0.00 1.16 -0.54 0.00 0.00 0.00 174.94 176.05 1sm9 s LYS 186 N 2.26 3.96 0.08 2.79 -0.14 -1.26 -4.93 119.74 122.50 1sm9 s LYS 186 Ca 0.18 1.79 -0.31 0.00 -1.36 0.00 0.00 55.97 56.27 1sm9 s LYS 186 Cb -0.16 -2.57 -0.10 0.00 -1.68 0.00 0.00 37.83 33.32 1sm9 s LYS 186 CO 0.11 -0.39 1.88 -2.30 -0.76 0.00 0.00 175.35 173.89 1sm9 n PRO 187 N -0.13 2.73 0.10 -1.68 -0.02 -1.26 -4.85 135.00 129.87 1sm9 n PRO 187 Ca 0.05 1.00 0.02 0.00 -2.02 0.00 0.00 63.50 62.55 1sm9 n PRO 187 Cb 0.47 -2.90 -0.02 0.00 -0.02 0.00 0.00 33.50 31.03 1sm9 n PRO 187 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1sm9 h ALA 188 N 9.16 0.66 -3.34 3.55 0.00 -1.42 -3.42 119.26 124.44 1sm9 h ALA 188 Ca -0.48 -0.58 -0.27 0.00 0.00 0.00 0.00 54.91 53.59 1sm9 h ALA 188 Cb 1.23 0.07 -0.23 0.00 0.00 0.00 0.00 17.79 18.86 1sm9 h ALA 188 CO 0.94 0.69 -0.73 0.08 0.00 0.00 0.00 179.25 180.23 1sm9 s VAL 189 N -2.98 0.44 -0.21 0.00 1.01 -1.25 -0.48 120.40 116.93 1sm9 s VAL 189 Ca 0.01 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.17 1sm9 s VAL 189 Cb 0.08 -0.49 0.05 0.00 0.00 0.00 0.00 36.38 36.03 1sm9 s VAL 189 CO 0.77 -0.26 -0.06 -0.22 0.00 0.00 0.00 175.10 175.33 1sm9 s LEU 190 N -1.17 2.21 -0.30 3.92 2.96 -0.00 -0.71 118.68 125.59 1sm9 s LEU 190 Ca -0.07 -0.99 -0.09 0.00 -0.22 0.00 0.00 54.13 52.76 1sm9 s LEU 190 Cb -0.08 -1.09 -0.01 0.00 0.50 0.00 0.00 46.19 45.52 1sm9 s LEU 190 CO 0.00 -0.21 0.13 -1.58 -1.32 0.00 0.00 176.35 173.36 1sm9 s GLN 191 N 1.48 3.35 0.12 1.98 0.74 -0.20 -1.56 119.66 125.56 1sm9 s GLN 191 Ca -0.03 -0.70 0.03 0.00 0.05 0.00 0.00 55.36 54.70 1sm9 s GLN 191 Cb -0.17 -3.49 -0.04 0.00 1.10 0.00 0.00 33.01 30.40 1sm9 s GLN 191 CO -0.07 -0.38 -0.08 0.14 -0.55 0.00 0.00 175.29 174.35 1sm9 s VAL 192 N 1.59 0.85 0.26 1.34 -7.23 -0.68 -1.44 120.40 115.10 1sm9 s VAL 192 Ca 0.05 -1.98 -0.31 0.00 -1.81 0.00 0.00 61.98 57.93 1sm9 s VAL 192 Cb -0.17 -1.75 -0.11 0.00 0.56 0.00 0.00 36.38 34.91 1sm9 s VAL 192 CO 0.05 -0.82 1.62 -0.70 -0.31 0.00 0.00 175.10 174.94 1sm9 s GLU 193 N -3.81 4.13 -0.26 4.82 2.12 -1.26 -1.59 118.70 122.86 1sm9 s GLU 193 Ca 0.14 2.56 -0.07 0.00 0.36 0.00 0.00 54.97 57.96 1sm9 s GLU 193 Cb 0.04 -3.05 0.13 0.00 0.26 0.00 0.00 34.13 31.51 1sm9 s GLU 193 CO -0.03 -0.65 0.53 -1.58 -0.54 0.00 0.00 175.26 172.99 1sm9 s HIS 194 N 0.37 -1.14 0.24 5.30 2.46 -0.60 -4.81 115.29 117.12 1sm9 s HIS 194 Ca 0.66 1.77 -0.22 0.00 0.47 0.00 0.00 55.06 57.75 1sm9 s HIS 194 Cb -0.48 0.50 0.05 0.00 -0.13 0.00 0.00 32.58 32.52 1sm9 s HIS 194 CO 0.43 -0.65 0.87 -3.38 -2.47 0.00 0.00 174.74 169.53 1sm9 s HIS 195 N 2.75 -0.07 0.66 3.88 -3.43 -1.16 -3.89 115.29 114.03 1sm9 s HIS 195 Ca 0.02 -0.37 0.32 0.00 -0.80 0.00 0.00 55.06 54.23 1sm9 s HIS 195 Cb -0.13 0.71 1.73 0.00 -1.43 0.00 0.00 32.58 33.46 1sm9 s HIS 195 CO -0.17 -1.11 1.99 -1.35 -2.00 0.00 0.00 174.74 172.09 1sm9 h PRO 196 N 2.00 0.00 0.00 -0.38 0.11 -1.93 -0.41 132.00 131.39 1sm9 h PRO 196 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1sm9 h PRO 196 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1sm9 h PRO 196 CO 0.29 0.00 -0.67 0.66 -0.21 0.00 0.00 178.00 178.07 1sm9 n TYR 197 N -2.99 0.18 -3.34 0.65 4.01 -1.26 -2.09 117.16 112.32 1sm9 n TYR 197 Ca -0.02 0.05 -0.26 0.00 -0.16 0.00 0.00 57.90 57.52 1sm9 n TYR 197 Cb 0.35 -0.36 -0.09 0.00 -0.31 0.00 0.00 39.34 38.93 1sm9 n TYR 197 CO 0.00 0.00 0.00 -0.11 -0.46 0.00 0.00 176.86 176.29 1sm9 n LEU 198 N -1.73 -0.59 0.05 7.72 7.94 -0.17 -0.08 117.00 130.14 1sm9 n LEU 198 Ca 0.04 -4.33 -0.03 0.00 -1.11 0.00 0.00 56.01 50.59 1sm9 n LEU 198 Cb 0.38 0.57 -0.08 0.00 0.53 0.00 0.00 43.42 44.82 1sm9 n LEU 198 CO 0.37 1.88 -0.11 1.56 -1.11 0.00 0.00 177.39 179.98 1sm9 h GLN 199 N 5.44 0.00 -6.85 1.96 4.20 -1.77 -3.07 115.11 115.02 1sm9 h GLN 199 Ca 0.24 0.00 -0.40 0.00 0.06 0.00 0.00 58.65 58.55 1sm9 h GLN 199 Cb 0.92 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.64 1sm9 h GLN 199 CO 0.36 0.50 -0.66 1.04 -0.67 0.00 0.00 178.83 179.40 1sm9 n GLN 200 N -3.07 -0.66 -0.00 1.46 6.02 -1.26 -4.79 117.38 115.07 1sm9 n GLN 200 Ca -0.07 -0.07 0.12 0.00 -0.01 0.00 0.00 57.00 56.97 1sm9 n GLN 200 Cb 0.88 -1.69 0.55 0.00 1.02 0.00 0.00 30.24 31.00 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 -0.76 0.28 -0.09 -1.09 0.13 -1.99 -2.08 132.00 126.40 1sm9 h PRO 201 Ca -0.46 -0.02 -0.18 0.00 -0.87 0.00 0.00 66.00 64.47 1sm9 h PRO 201 Cb 0.93 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 31.99 1sm9 h PRO 201 CO 0.39 0.18 -0.71 0.87 -0.23 0.00 0.00 178.00 178.51 1sm9 h LYS 202 N 0.29 0.41 -0.33 0.86 1.57 -1.99 -0.69 116.57 116.69 1sm9 h LYS 202 Ca 0.21 -0.32 -0.06 0.00 -1.87 0.00 0.00 60.65 58.61 1sm9 h LYS 202 Cb 0.46 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 1sm9 h LYS 202 CO -0.05 0.96 -0.01 1.25 -0.57 0.00 0.00 179.45 181.03 1sm9 h LEU 203 N 0.28 0.58 -0.49 2.94 5.85 -1.75 0.13 115.31 122.84 1sm9 h LEU 203 Ca -0.03 -0.32 0.01 0.00 0.84 0.00 0.00 57.88 58.38 1sm9 h LEU 203 Cb 1.28 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 42.12 1sm9 h LEU 203 CO 0.12 0.76 0.32 0.40 -0.34 0.00 0.00 178.44 179.70 1sm9 h ILE 204 N 0.38 1.12 -0.04 4.05 1.08 -1.34 -0.36 117.51 122.39 1sm9 h ILE 204 Ca 0.09 -0.22 -0.00 0.00 -0.39 0.00 0.00 64.86 64.34 1sm9 h ILE 204 Cb 0.47 0.41 -0.00 0.00 -3.07 0.00 0.00 36.82 34.63 1sm9 h ILE 204 CO 0.02 0.12 0.02 -0.08 -0.69 0.00 0.00 178.15 177.54 1sm9 h GLU 205 N 0.65 0.06 -0.13 2.37 4.81 -0.92 -1.01 114.58 120.41 1sm9 h GLU 205 Ca 0.18 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.43 1sm9 h GLU 205 Cb -0.06 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.28 1sm9 h GLU 205 CO -0.05 0.14 -0.04 0.35 -0.73 0.00 0.00 179.01 178.68 1sm9 h PHE 206 N -0.04 -0.09 -0.07 0.92 3.57 -0.46 -1.52 116.94 119.25 1sm9 h PHE 206 Ca 0.01 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 1sm9 h PHE 206 Cb 0.10 0.06 -0.00 0.00 2.79 0.00 0.00 35.95 38.90 1sm9 h PHE 206 CO -0.04 -0.07 0.04 0.00 -2.23 0.00 0.00 178.31 176.01 1sm9 h ALA 207 N 1.11 0.09 -0.66 2.41 0.00 -0.92 -2.00 119.26 119.30 1sm9 h ALA 207 Ca 0.07 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1sm9 h ALA 207 Cb 0.12 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1sm9 h ALA 207 CO -0.14 -0.39 0.43 1.96 0.00 0.00 0.00 179.25 181.12 1sm9 h GLN 208 N 0.05 0.83 0.00 0.00 4.20 -1.05 0.16 115.11 119.30 1sm9 h GLN 208 Ca 0.03 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 1sm9 h GLN 208 Cb 0.05 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 27.64 1sm9 h GLN 208 CO -0.00 0.55 -0.11 0.87 -0.67 0.00 0.00 178.83 179.46 1sm9 h LYS 209 N 0.85 0.00 -0.01 1.46 1.57 -1.00 -1.47 116.57 117.97 1sm9 h LYS 209 Ca 0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 1sm9 h LYS 209 Cb -0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.27 1sm9 h LYS 209 CO -0.06 0.11 0.00 0.00 -0.57 0.00 0.00 179.45 178.93 1sm9 n ALA 210 N -2.15 2.61 -0.71 3.86 0.00 -0.10 -4.89 120.51 119.15 1sm9 n ALA 210 Ca 0.01 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.10 1sm9 n ALA 210 Cb 0.42 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.58 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 1.11 0.76 3.71 0.00 0.00 -0.55 -5.03 105.19 105.19 1sm9 n GLY 211 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.75 4.91 0.00 1.61 1.01 -0.38 -4.38 120.40 120.42 1sm9 s VAL 212 Ca 0.00 1.84 -0.23 0.00 0.00 0.00 0.00 61.98 63.59 1sm9 s VAL 212 Cb 0.00 -4.22 -0.05 0.00 0.00 0.00 0.00 36.38 32.11 1sm9 s VAL 212 CO 0.00 0.20 0.68 -0.89 0.00 0.00 0.00 175.10 175.09 1sm9 s THR 213 N 0.87 4.87 -0.12 3.92 2.01 0.37 -3.60 115.64 123.96 1sm9 s THR 213 Ca 0.47 1.43 -0.18 0.00 0.31 0.00 0.00 61.69 63.71 1sm9 s THR 213 Cb -0.20 -4.02 -0.04 0.00 0.01 0.00 0.00 72.50 68.25 1sm9 s THR 213 CO 0.25 0.37 0.49 -0.63 -0.69 0.00 0.00 174.62 174.40 1sm9 s ILE 214 N 0.05 5.18 -0.17 1.82 -1.09 -1.26 -0.82 121.20 124.91 1sm9 s ILE 214 Ca 0.35 0.98 0.01 0.00 -2.23 0.00 0.00 60.65 59.77 1sm9 s ILE 214 Cb -0.19 -3.83 0.02 0.00 -1.58 0.00 0.00 42.46 36.88 1sm9 s ILE 214 CO 0.20 0.32 -0.20 -0.89 -1.23 0.00 0.00 174.94 173.13 1sm9 s THR 215 N 0.65 2.08 0.20 2.92 2.01 -0.60 -1.07 115.64 121.82 1sm9 s THR 215 Ca 0.27 -0.94 -0.11 0.00 0.31 0.00 0.00 61.69 61.21 1sm9 s THR 215 Cb -0.15 -1.86 -0.07 0.00 0.01 0.00 0.00 72.50 70.43 1sm9 s THR 215 CO 0.11 0.54 0.54 0.00 -0.69 0.00 0.00 174.62 175.12 1sm9 s ALA 216 N 1.14 3.57 0.12 7.40 0.00 -0.19 -1.69 121.76 132.12 1sm9 s ALA 216 Ca 0.01 -0.24 0.04 0.00 0.00 0.00 0.00 51.96 51.77 1sm9 s ALA 216 Cb -0.14 -2.45 -0.04 0.00 0.00 0.00 0.00 23.12 20.49 1sm9 s ALA 216 CO -0.09 0.50 -0.10 1.52 0.00 0.00 0.00 175.76 177.58 1sm9 s TYR 217 N -1.71 1.16 -1.37 0.00 -0.85 -0.62 -3.97 117.35 109.99 1sm9 s TYR 217 Ca 0.44 -0.70 -0.09 0.00 -0.52 0.00 0.00 57.07 56.21 1sm9 s TYR 217 Cb -0.12 -0.62 0.01 0.00 0.38 0.00 0.00 41.96 41.62 1sm9 s TYR 217 CO 0.20 0.04 1.17 0.43 -1.52 0.00 0.00 175.55 175.87 1sm9 n SER 218 N 0.25 -6.15 0.20 -0.18 7.64 -1.26 -1.55 113.62 112.57 1sm9 n SER 218 Ca -0.14 -0.56 0.10 0.00 1.01 0.00 0.00 58.87 59.29 1sm9 n SER 218 Cb 0.59 -4.96 0.55 0.00 -1.01 0.00 0.00 64.21 59.38 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 -2.65 0.00 -0.59 6.43 0.02 -1.87 0.28 113.55 115.17 1sm9 h SER 219 Ca -0.57 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.26 1sm9 h SER 219 Cb 1.37 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 63.84 1sm9 h SER 219 CO 0.57 0.00 0.13 0.49 -1.14 0.00 0.00 176.83 176.88 1sm9 n PHE 220 N -2.29 2.02 -0.52 3.45 0.99 -1.26 -4.77 117.46 115.08 1sm9 n PHE 220 Ca -0.01 -1.05 0.00 0.00 -0.00 0.00 0.00 57.45 56.39 1sm9 n PHE 220 Cb 0.21 -0.57 0.00 0.00 -1.00 0.00 0.00 39.48 38.12 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 -0.08 3.29 0.25 1.37 0.00 0.09 -2.83 105.19 107.28 1sm9 n GLY 221 Ca 0.34 -0.18 0.17 0.00 0.00 0.00 0.00 46.02 46.35 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 -0.51 1.61 0.13 -1.90 -3.35 132.00 127.99 1sm9 h PRO 222 Ca 0.00 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 65.18 1sm9 h PRO 222 Cb 0.00 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 31.06 1sm9 h PRO 222 CO 0.00 0.00 -0.41 0.37 -0.23 0.00 0.00 178.00 177.73 1sm9 h GLN 223 N 0.00 -0.13 0.00 0.86 5.75 -1.87 0.82 115.11 120.54 1sm9 h GLN 223 Ca 0.00 0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 58.48 1sm9 h GLN 223 Cb 0.10 0.03 -0.00 0.00 1.07 0.00 0.00 27.48 28.67 1sm9 h GLN 223 CO 0.00 -0.09 -0.13 0.66 -2.65 0.00 0.00 178.83 176.63 1sm9 h SER 224 N -0.14 0.00 1.04 -0.69 4.64 -1.84 -1.86 113.55 114.71 1sm9 h SER 224 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1sm9 h SER 224 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1sm9 h SER 224 CO -0.55 0.13 -0.48 -0.26 -0.87 0.00 0.00 176.83 174.80 1sm9 h PHE 225 N 0.00 0.00 -0.18 4.77 -1.00 -1.51 -3.12 116.94 115.90 1sm9 h PHE 225 Ca -0.00 0.00 -0.18 0.00 2.81 0.00 0.00 57.97 60.60 1sm9 h PHE 225 Cb 0.32 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.88 1sm9 h PHE 225 CO 0.00 0.00 -0.63 0.28 -1.61 0.00 0.00 178.31 176.35 1sm9 h VAL 226 N 0.00 1.31 0.00 -0.55 2.07 -0.03 -2.06 116.25 116.99 1sm9 h VAL 226 Ca 0.00 -1.88 0.00 0.00 0.82 0.00 0.00 66.70 65.64 1sm9 h VAL 226 Cb 0.76 1.84 0.00 0.00 -1.52 0.00 0.00 31.29 32.37 1sm9 h VAL 226 CO 0.00 0.59 0.00 -0.62 0.02 0.00 0.00 177.57 177.56 1sm9 n GLU 227 N -3.94 0.10 -0.07 1.57 1.02 -1.11 0.65 120.64 118.85 1sm9 n GLU 227 Ca -0.04 0.14 0.03 0.00 -0.02 0.00 0.00 57.16 57.27 1sm9 n GLU 227 Cb 0.66 -1.50 0.07 0.00 -0.02 0.00 0.00 31.44 30.65 1sm9 n GLU 227 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 1sm9 n MET 228 N -1.16 2.10 -3.15 3.49 2.81 -0.83 -4.97 117.12 115.41 1sm9 n MET 228 Ca 0.03 -1.56 -0.23 0.00 -1.81 0.00 0.00 57.70 54.13 1sm9 n MET 228 Cb 0.03 -1.14 0.04 0.00 -0.71 0.00 0.00 33.22 31.43 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 0.16 -6.04 -4.69 7.83 5.15 0.21 -4.93 115.26 112.95 1sm9 n ASN 229 Ca 0.06 -0.34 -0.42 0.00 -0.60 0.00 0.00 54.58 53.27 1sm9 n ASN 229 Cb 0.30 -4.86 -0.03 0.00 -0.53 0.00 0.00 39.78 34.66 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 -5.84 4.43 0.16 1.20 0.74 -0.90 -4.97 119.66 114.48 1sm9 s GLN 230 Ca 0.36 1.39 -0.23 0.00 0.05 0.00 0.00 55.36 56.94 1sm9 s GLN 230 Cb -0.16 -3.54 0.05 0.00 1.10 0.00 0.00 33.01 30.46 1sm9 s GLN 230 CO 0.45 -0.31 1.61 0.78 -0.55 0.00 0.00 175.29 177.27 1sm9 h GLY 231 N 7.97 -0.21 0.45 2.59 0.00 -1.91 -1.25 103.07 110.71 1sm9 h GLY 231 Ca -0.31 0.38 0.05 0.00 0.00 0.00 0.00 47.33 47.45 1sm9 h GLY 231 CO 0.85 -0.21 -0.09 -0.09 0.00 0.00 0.00 176.54 177.01 1sm9 h ARG 232 N -0.25 -0.04 -0.29 4.80 2.43 -1.97 -1.96 114.38 117.11 1sm9 h ARG 232 Ca 0.17 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.30 1sm9 h ARG 232 Cb 0.52 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.06 1sm9 h ARG 232 CO -0.50 -0.02 -0.00 0.00 -1.51 0.00 0.00 179.97 177.94 1sm9 h ALA 233 N 1.19 1.46 0.00 2.80 0.00 -1.81 -2.44 119.26 120.46 1sm9 h ALA 233 Ca 0.12 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 1sm9 h ALA 233 Cb 0.23 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1sm9 h ALA 233 CO -0.27 0.39 -0.37 -0.07 0.00 0.00 0.00 179.25 178.92 1sm9 h LEU 234 N 0.43 0.00 -2.30 0.00 3.38 -0.56 -2.79 115.31 113.48 1sm9 h LEU 234 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1sm9 h LEU 234 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1sm9 h LEU 234 CO 0.01 0.37 0.00 0.59 0.09 0.00 0.00 178.44 179.50 1sm9 n ASN 235 N -3.64 3.46 -4.37 -0.43 3.02 -0.80 -4.88 115.26 107.62 1sm9 n ASN 235 Ca -0.01 -2.35 -0.34 0.00 -0.03 0.00 0.00 54.58 51.86 1sm9 n ASN 235 Cb 0.48 -0.49 -0.14 0.00 -0.61 0.00 0.00 39.78 39.02 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 -1.81 3.39 0.22 3.41 2.01 -1.06 -5.07 115.64 116.74 1sm9 s THR 236 Ca 0.34 -0.52 -0.32 0.00 0.31 0.00 0.00 61.69 61.51 1sm9 s THR 236 Cb 0.23 -2.49 -0.13 0.00 0.01 0.00 0.00 72.50 70.12 1sm9 s THR 236 CO 0.16 0.47 1.47 -2.65 -0.69 0.00 0.00 174.62 173.38 1sm9 n PRO 237 N 4.08 2.13 -1.97 4.92 -0.02 -1.26 -4.89 135.00 137.99 1sm9 n PRO 237 Ca -0.18 0.76 -0.34 0.00 -2.02 0.00 0.00 63.50 61.72 1sm9 n PRO 237 Cb 0.52 -2.46 0.03 0.00 -0.02 0.00 0.00 33.50 31.57 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 0.21 3.04 0.23 3.45 -4.23 -1.26 -4.92 115.64 112.17 1sm9 s THR 238 Ca 0.71 0.58 0.13 0.00 -1.18 0.00 0.00 61.69 61.92 1sm9 s THR 238 Cb -0.64 -3.15 0.02 0.00 1.34 0.00 0.00 72.50 70.06 1sm9 s THR 238 CO 0.46 -0.21 1.64 -0.07 -0.54 0.00 0.00 174.62 175.90 1sm9 h LEU 239 N 0.60 0.00 -1.46 4.79 3.38 -1.90 -2.77 115.31 117.95 1sm9 h LEU 239 Ca -0.49 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.44 1sm9 h LEU 239 Cb 1.26 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.00 1sm9 h LEU 239 CO 0.55 0.56 -0.12 -0.26 0.09 0.00 0.00 178.44 179.26 1sm9 h PHE 240 N 0.00 0.21 -0.23 1.13 0.05 -1.91 -2.89 116.94 113.31 1sm9 h PHE 240 Ca -0.01 -0.02 0.00 0.00 3.82 0.00 0.00 57.97 61.76 1sm9 h PHE 240 Cb 1.06 -0.06 0.00 0.00 2.00 0.00 0.00 35.95 38.95 1sm9 h PHE 240 CO 0.00 0.33 0.00 0.00 -0.18 0.00 0.00 178.31 178.46 1sm9 n ALA 241 N -2.49 2.38 -2.07 2.45 0.00 -1.18 -4.63 120.51 114.97 1sm9 n ALA 241 Ca -0.01 -0.88 -0.42 0.00 0.00 0.00 0.00 53.44 52.13 1sm9 n ALA 241 Cb 0.25 -0.60 -0.03 0.00 0.00 0.00 0.00 19.45 19.07 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 -1.22 3.23 0.27 0.00 5.04 -1.05 -4.84 115.29 116.72 1sm9 s HIS 242 Ca 0.26 1.07 -0.01 0.00 -1.54 0.00 0.00 55.06 54.85 1sm9 s HIS 242 Cb 0.16 -3.66 0.58 0.00 0.04 0.00 0.00 32.58 29.69 1sm9 s HIS 242 CO 0.22 -2.20 1.72 -0.44 -2.34 0.00 0.00 174.74 171.70 1sm9 h ASP 243 N 6.00 0.34 -0.14 9.88 3.32 -1.92 0.40 116.42 134.30 1sm9 h ASP 243 Ca -0.44 0.12 -0.00 0.00 0.02 0.00 0.00 57.03 56.74 1sm9 h ASP 243 Cb 1.21 0.09 -0.01 0.00 0.22 0.00 0.00 39.33 40.85 1sm9 h ASP 243 CO 0.82 0.08 0.08 0.74 -1.72 0.00 0.00 179.24 179.24 1sm9 h THR 244 N 0.46 1.07 -0.34 0.35 2.02 -1.95 0.87 112.91 115.39 1sm9 h THR 244 Ca 0.48 -0.18 -0.09 0.00 0.77 0.00 0.00 66.41 67.39 1sm9 h THR 244 Cb 0.80 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 68.14 1sm9 h THR 244 CO -0.45 0.07 -0.13 0.40 0.37 0.00 0.00 175.52 175.78 1sm9 h ILE 245 N 0.15 1.28 0.04 3.11 1.08 -1.50 -2.30 117.51 119.37 1sm9 h ILE 245 Ca 0.05 -1.22 0.01 0.00 -0.39 0.00 0.00 64.86 63.31 1sm9 h ILE 245 Cb 0.03 1.37 -0.02 0.00 -3.07 0.00 0.00 36.82 35.13 1sm9 h ILE 245 CO -0.01 0.40 -0.10 0.50 -0.69 0.00 0.00 178.15 178.25 1sm9 h LYS 246 N 0.46 -0.19 -0.37 2.37 1.63 -0.11 -0.61 116.57 119.74 1sm9 h LYS 246 Ca 0.08 0.01 0.06 0.00 -0.85 0.00 0.00 60.65 59.95 1sm9 h LYS 246 Cb 0.65 0.04 -0.05 0.00 -0.60 0.00 0.00 32.23 32.27 1sm9 h LYS 246 CO 0.04 -0.12 0.04 0.00 -3.45 0.00 0.00 179.45 175.96 1sm9 h ALA 247 N 0.75 0.37 -0.67 5.00 0.00 -0.78 -0.98 119.26 122.95 1sm9 h ALA 247 Ca 0.03 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1sm9 h ALA 247 Cb 0.22 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1sm9 h ALA 247 CO -0.07 -0.36 0.19 0.82 0.00 0.00 0.00 179.25 179.83 1sm9 h ILE 248 N 0.15 1.25 -0.44 0.00 2.04 -1.15 -1.19 117.51 118.17 1sm9 h ILE 248 Ca 0.18 -0.90 -0.01 0.00 1.00 0.00 0.00 64.86 65.13 1sm9 h ILE 248 Cb 0.23 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 1sm9 h ILE 248 CO -0.27 0.35 0.23 0.00 0.00 0.00 0.00 178.15 178.45 1sm9 h ALA 249 N 1.08 0.57 -0.24 1.87 0.00 -0.63 -2.76 119.26 119.13 1sm9 h ALA 249 Ca 0.21 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1sm9 h ALA 249 Cb 0.32 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1sm9 h ALA 249 CO -0.00 0.11 0.15 0.00 0.00 0.00 0.00 179.25 179.50 1sm9 h ALA 250 N 1.07 0.31 -1.00 0.00 0.00 -1.02 0.41 119.26 119.04 1sm9 h ALA 250 Ca 0.15 -0.04 0.25 0.00 0.00 0.00 0.00 54.91 55.27 1sm9 h ALA 250 Cb 0.09 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 17.70 1sm9 h ALA 250 CO -0.02 -0.18 0.66 -0.22 0.00 0.00 0.00 179.25 179.48 1sm9 h LYS 251 N 0.30 0.37 -0.02 0.00 3.64 -1.01 -1.66 116.57 118.19 1sm9 h LYS 251 Ca 0.09 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1sm9 h LYS 251 Cb 0.02 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 1sm9 h LYS 251 CO -0.02 0.24 -0.05 0.66 -2.27 0.00 0.00 179.45 178.01 1sm9 n TYR 252 N -4.56 0.00 -3.42 1.91 4.01 -0.89 -4.99 117.16 109.23 1sm9 n TYR 252 Ca 0.23 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.80 1sm9 n TYR 252 Cb 0.84 0.00 0.08 0.00 -0.31 0.00 0.00 39.34 39.95 1sm9 n TYR 252 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1sm9 n ASN 253 N 0.58 -2.89 -4.33 7.72 5.15 0.12 -5.02 115.26 116.59 1sm9 n ASN 253 Ca 0.08 -0.65 -0.18 0.00 -0.60 0.00 0.00 54.58 53.22 1sm9 n ASN 253 Cb 0.33 -5.06 -0.10 0.00 -0.53 0.00 0.00 39.78 34.42 1sm9 n ASN 253 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1sm9 s LYS 254 N -5.22 1.30 0.61 1.20 -0.14 0.32 -5.02 119.74 112.78 1sm9 s LYS 254 Ca 0.09 -1.60 -0.10 0.00 -1.36 0.00 0.00 55.97 53.00 1sm9 s LYS 254 Cb -0.01 -0.93 -0.03 0.00 -1.68 0.00 0.00 37.83 35.17 1sm9 s LYS 254 CO 0.74 0.10 1.00 0.95 -0.76 0.00 0.00 175.35 177.38 1sm9 s THR 255 N -3.13 4.55 0.34 2.17 -4.23 -1.26 -4.31 115.64 109.78 1sm9 s THR 255 Ca 0.23 0.71 0.02 0.00 -1.18 0.00 0.00 61.69 61.47 1sm9 s THR 255 Cb 0.02 -3.81 0.25 0.00 1.34 0.00 0.00 72.50 70.30 1sm9 s THR 255 CO 0.06 -1.02 1.99 -0.65 -0.54 0.00 0.00 174.62 174.46 1sm9 h PRO 256 N -0.28 0.83 -0.92 3.99 0.11 -1.88 -2.32 132.00 131.53 1sm9 h PRO 256 Ca -0.45 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1sm9 h PRO 256 Cb 1.20 -0.18 -0.04 0.00 0.11 0.00 0.00 31.00 32.09 1sm9 h PRO 256 CO 0.62 0.57 0.58 0.00 -0.21 0.00 0.00 178.00 179.56 1sm9 h ALA 257 N 1.58 1.30 -0.27 -0.75 0.00 -1.94 -1.03 119.26 118.14 1sm9 h ALA 257 Ca 0.22 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 1sm9 h ALA 257 Cb -0.06 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.35 1sm9 h ALA 257 CO -0.04 0.63 -0.21 0.93 0.00 0.00 0.00 179.25 180.55 1sm9 h GLU 258 N 1.25 0.50 -0.21 0.00 5.08 -1.79 -1.71 114.58 117.70 1sm9 h GLU 258 Ca 0.33 -0.18 -0.14 0.00 -1.00 0.00 0.00 59.36 58.38 1sm9 h GLU 258 Cb -0.10 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 1sm9 h GLU 258 CO -0.07 0.69 -0.46 0.28 -1.00 0.00 0.00 179.01 178.45 1sm9 h VAL 259 N 0.45 1.31 -0.16 3.13 2.07 -1.19 -0.69 116.25 121.17 1sm9 h VAL 259 Ca 0.07 -1.65 -0.15 0.00 0.82 0.00 0.00 66.70 65.79 1sm9 h VAL 259 Cb 0.62 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 32.02 1sm9 h VAL 259 CO 0.04 0.52 -0.53 -0.07 0.02 0.00 0.00 177.57 177.55 1sm9 h LEU 260 N 0.43 0.50 -0.07 2.57 3.38 -0.88 -1.73 115.31 119.51 1sm9 h LEU 260 Ca 0.03 -0.26 -0.25 0.00 0.09 0.00 0.00 57.88 57.49 1sm9 h LEU 260 Cb 0.97 -0.14 0.02 0.00 0.09 0.00 0.00 40.66 41.59 1sm9 h LEU 260 CO 0.09 0.94 -0.93 -0.07 0.09 0.00 0.00 178.44 178.55 1sm9 h LEU 261 N 0.35 0.93 -0.77 1.67 3.38 -1.23 -3.25 115.31 116.40 1sm9 h LEU 261 Ca 0.01 -0.69 -0.13 0.00 0.09 0.00 0.00 57.88 57.16 1sm9 h LEU 261 Cb 1.04 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 1sm9 h LEU 261 CO 0.09 1.49 -0.44 -0.09 0.09 0.00 0.00 178.44 179.58 1sm9 h ARG 262 N 0.45 0.40 -0.88 1.13 9.65 -1.12 -1.54 114.38 122.48 1sm9 h ARG 262 Ca -0.10 -0.21 0.14 0.00 -1.10 0.00 0.00 59.98 58.72 1sm9 h ARG 262 Cb 1.57 0.01 -0.07 0.00 -1.39 0.00 0.00 29.97 30.09 1sm9 h ARG 262 CO 0.19 0.76 0.57 2.35 2.80 0.00 0.00 179.97 186.64 1sm9 h TRP 263 N 0.33 0.79 0.02 2.20 7.01 -1.34 0.77 115.95 125.73 1sm9 h TRP 263 Ca 0.02 0.02 -0.07 0.00 2.11 0.00 0.00 58.89 60.98 1sm9 h TRP 263 Cb 0.90 -0.25 -0.00 0.00 -2.10 0.00 0.00 29.16 27.71 1sm9 h TRP 263 CO 0.03 0.30 -0.36 0.00 -2.79 0.00 0.00 178.44 175.62 1sm9 h ALA 264 N 1.60 0.05 -0.33 2.65 0.00 -1.55 -3.37 119.26 118.31 1sm9 h ALA 264 Ca 0.44 -0.67 0.06 0.00 0.00 0.00 0.00 54.91 54.73 1sm9 h ALA 264 Cb 0.71 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.61 1sm9 h ALA 264 CO -0.20 0.20 0.01 0.00 0.00 0.00 0.00 179.25 179.26 1sm9 h ALA 265 N -0.09 0.30 0.00 0.00 0.00 -0.73 -0.81 119.26 117.94 1sm9 h ALA 265 Ca -0.09 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1sm9 h ALA 265 Cb 1.14 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1sm9 h ALA 265 CO -0.02 -0.40 0.09 0.37 0.00 0.00 0.00 179.25 179.29 1sm9 h GLN 266 N 0.10 0.00 -0.67 0.00 4.15 -1.05 0.11 115.11 117.75 1sm9 h GLN 266 Ca 0.16 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.58 1sm9 h GLN 266 Cb 0.21 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.90 1sm9 h GLN 266 CO -0.26 0.00 0.00 0.54 -1.93 0.00 0.00 178.83 177.18 1sm9 n ARG 267 N -2.86 3.70 -0.92 1.69 1.74 -0.35 -4.92 116.66 114.74 1sm9 n ARG 267 Ca -0.02 -2.89 0.00 0.00 -0.77 0.00 0.00 57.85 54.16 1sm9 n ARG 267 Cb 0.15 -1.89 0.00 0.00 -1.02 0.00 0.00 32.46 29.70 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 1.22 0.52 3.73 -0.13 0.00 0.39 -5.04 105.19 105.88 1sm9 n GLY 268 Ca 0.26 -0.21 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 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 5.27 0.44 -0.61 1.01 -0.98 -4.68 121.20 119.65 1sm9 s ILE 269 Ca 0.00 0.68 -0.22 0.00 0.00 0.00 0.00 60.65 61.11 1sm9 s ILE 269 Cb 0.00 -3.69 -0.09 0.00 0.01 0.00 0.00 42.46 38.69 1sm9 s ILE 269 CO 0.00 0.37 1.01 0.00 0.00 0.00 0.00 174.94 176.32 1sm9 s ALA 270 N 0.49 2.99 0.12 9.38 0.00 -0.24 -3.57 121.76 130.93 1sm9 s ALA 270 Ca 0.20 0.56 0.08 0.00 0.00 0.00 0.00 51.96 52.80 1sm9 s ALA 270 Cb -0.14 -3.22 -0.04 0.00 0.00 0.00 0.00 23.12 19.73 1sm9 s ALA 270 CO 0.06 -0.12 -0.21 0.14 0.00 0.00 0.00 175.76 175.63 1sm9 s VAL 271 N -1.96 1.78 -0.38 0.00 -7.23 -0.39 -1.02 120.40 111.20 1sm9 s VAL 271 Ca 0.63 -1.66 0.12 0.00 -1.81 0.00 0.00 61.98 59.25 1sm9 s VAL 271 Cb -0.15 -1.66 0.36 0.00 0.56 0.00 0.00 36.38 35.48 1sm9 s VAL 271 CO 0.19 -0.12 0.78 2.30 -0.31 0.00 0.00 175.10 177.94 1sm9 n ILE 272 N 0.85 0.25 -1.71 -0.62 -5.35 -1.25 0.12 119.36 111.65 1sm9 n ILE 272 Ca -0.18 -4.51 -0.40 0.00 -0.27 0.00 0.00 62.75 57.40 1sm9 n ILE 272 Cb 0.54 -0.27 0.03 0.00 -1.74 0.00 0.00 39.64 38.21 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 0.19 1.72 -2.83 6.28 -0.04 -1.21 -2.94 135.00 136.18 1sm9 n PRO 273 Ca 0.24 0.62 -0.43 0.00 -0.04 0.00 0.00 63.50 63.90 1sm9 n PRO 273 Cb 0.65 -2.43 -0.04 0.00 -0.04 0.00 0.00 33.50 31.64 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 -2.53 3.75 -0.32 0.54 3.00 -1.26 -1.43 118.95 120.69 1sm9 s ARG 274 Ca 0.67 0.43 -0.11 0.00 -1.00 0.00 0.00 55.73 55.72 1sm9 s ARG 274 Cb -0.46 -3.84 -0.02 0.00 0.00 0.00 0.00 34.95 30.64 1sm9 s ARG 274 CO 0.53 -1.01 0.19 -1.12 0.00 0.00 0.00 175.30 173.90 1sm9 s SER 275 N 1.98 5.79 0.00 -2.12 0.01 -1.26 -4.95 113.70 113.14 1sm9 s SER 275 Ca 0.37 -0.43 0.17 0.00 1.31 0.00 0.00 55.95 57.36 1sm9 s SER 275 Cb -0.12 -2.07 0.05 0.00 0.21 0.00 0.00 66.02 64.10 1sm9 s SER 275 CO 0.20 -0.20 0.93 -0.90 0.41 0.00 0.00 173.24 173.69 1sm9 n ASP 276 N 5.04 1.94 -3.96 2.44 5.75 -1.26 -4.86 116.55 121.64 1sm9 n ASP 276 Ca -0.13 -1.47 -0.15 0.00 -0.01 0.00 0.00 54.79 53.03 1sm9 n ASP 276 Cb 0.50 0.30 -0.14 0.00 -1.03 0.00 0.00 41.12 40.74 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 -1.83 2.04 0.30 -2.12 1.43 -1.26 -5.05 118.68 112.19 1sm9 s LEU 277 Ca 0.16 -0.14 0.05 0.00 -1.03 0.00 0.00 54.13 53.18 1sm9 s LEU 277 Cb 0.14 -0.20 0.81 0.00 0.03 0.00 0.00 46.19 46.97 1sm9 s LEU 277 CO 0.34 0.01 1.65 -0.65 0.23 0.00 0.00 176.35 177.94 1sm9 h PRO 278 N 5.84 0.24 -0.10 1.29 0.11 -1.99 0.28 132.00 137.66 1sm9 h PRO 278 Ca -0.28 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 65.68 1sm9 h PRO 278 Cb 1.20 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1sm9 h PRO 278 CO 0.49 0.16 -0.52 1.49 -0.21 0.00 0.00 178.00 179.41 1sm9 h GLU 279 N 0.24 0.29 -0.34 1.05 4.81 -2.00 -2.36 114.58 116.28 1sm9 h GLU 279 Ca 0.60 -0.17 -0.17 0.00 -0.13 0.00 0.00 59.36 59.49 1sm9 h GLU 279 Cb 1.26 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.66 1sm9 h GLU 279 CO -0.64 0.74 -0.46 0.00 -0.73 0.00 0.00 179.01 177.92 1sm9 h ARG 280 N 0.22 0.90 -0.39 1.92 3.08 -1.02 -1.34 114.38 117.75 1sm9 h ARG 280 Ca 0.01 -0.52 0.07 0.00 0.07 0.00 0.00 59.98 59.61 1sm9 h ARG 280 Cb 0.99 0.04 -0.07 0.00 0.08 0.00 0.00 29.97 31.02 1sm9 h ARG 280 CO 0.08 1.16 -0.01 1.25 -1.07 0.00 0.00 179.97 181.38 1sm9 h LEU 281 N 0.72 -0.19 0.03 3.04 5.85 -0.49 0.55 115.31 124.82 1sm9 h LEU 281 Ca 0.04 0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 1sm9 h LEU 281 Cb 1.06 0.17 0.00 0.00 0.37 0.00 0.00 40.66 42.26 1sm9 h LEU 281 CO 0.11 -0.06 -0.02 0.58 -0.34 0.00 0.00 178.44 178.72 1sm9 h VAL 282 N 0.09 1.27 -0.64 1.05 2.07 -1.32 -3.24 116.25 115.53 1sm9 h VAL 282 Ca 0.19 -0.96 -0.01 0.00 0.82 0.00 0.00 66.70 66.74 1sm9 h VAL 282 Cb 0.28 1.91 -0.03 0.00 -1.52 0.00 0.00 31.29 31.92 1sm9 h VAL 282 CO -0.33 0.24 0.35 1.56 0.02 0.00 0.00 177.57 179.41 1sm9 h GLN 283 N -0.47 0.87 0.00 1.57 4.20 -0.90 -2.38 115.11 118.00 1sm9 h GLN 283 Ca -0.00 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.62 1sm9 h GLN 283 Cb 0.43 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.03 1sm9 h GLN 283 CO 0.01 0.63 0.00 0.09 -0.67 0.00 0.00 178.83 178.89 1sm9 n ASN 284 N -4.39 0.00 0.00 1.46 3.02 0.19 -1.95 115.26 113.60 1sm9 n ASN 284 Ca 0.06 -0.18 0.00 0.00 -0.03 0.00 0.00 54.58 54.43 1sm9 n ASN 284 Cb 0.09 -0.12 0.00 0.00 -0.61 0.00 0.00 39.78 39.14 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 -1.12 1.67 -0.09 3.52 1.85 -0.91 -4.74 116.66 116.83 1sm9 n ARG 285 Ca 0.08 -1.06 0.04 0.00 -1.00 0.00 0.00 57.85 55.92 1sm9 n ARG 285 Cb 0.07 -0.79 0.06 0.00 -1.05 0.00 0.00 32.46 30.74 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 -0.28 1.70 0.05 2.89 7.64 -0.82 -4.79 113.62 120.01 1sm9 n SER 286 Ca 0.00 -2.35 0.13 0.00 1.01 0.00 0.00 58.87 57.67 1sm9 n SER 286 Cb 0.34 -0.20 0.51 0.00 -1.01 0.00 0.00 64.21 63.85 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 -0.78 0.44 -1.50 1.43 1.16 -1.21 -4.39 117.46 112.61 1sm9 n PHE 287 Ca 0.07 0.13 -0.40 0.00 -1.87 0.00 0.00 57.45 55.38 1sm9 n PHE 287 Cb 0.49 -0.71 -0.02 0.00 -1.61 0.00 0.00 39.48 37.63 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 -1.86 7.42 0.00 5.98 3.02 -1.26 -4.00 115.26 124.55 1sm9 n ASN 288 Ca 0.06 -2.70 0.00 0.00 -0.03 0.00 0.00 54.58 51.91 1sm9 n ASN 288 Cb 0.37 -1.57 0.00 0.00 -0.61 0.00 0.00 39.78 37.98 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 3.80 0.00 -4.12 3.41 -2.24 -1.26 -5.05 114.28 108.82 1sm9 n THR 289 Ca 0.70 -0.46 -0.10 0.00 -2.27 0.00 0.00 64.05 61.92 1sm9 n THR 289 Cb 0.27 1.05 -0.09 0.00 -2.10 0.00 0.00 70.33 69.46 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 -0.42 0.83 -0.01 4.78 -0.71 -1.26 -5.16 117.98 116.03 1sm9 s PHE 290 Ca 0.00 -1.15 0.06 0.00 -1.04 0.00 0.00 56.93 54.81 1sm9 s PHE 290 Cb 0.00 -0.36 -0.02 0.00 -1.21 0.00 0.00 43.02 41.43 1sm9 s PHE 290 CO 0.00 -0.65 -0.21 -0.51 -1.34 0.00 0.00 175.22 172.51 1sm9 s ASP 291 N -3.07 2.44 0.41 1.98 1.01 -1.26 -5.06 116.67 113.12 1sm9 s ASP 291 Ca 0.28 -0.39 -0.21 0.00 0.71 0.00 0.00 52.55 52.94 1sm9 s ASP 291 Cb 0.06 -0.26 -0.11 0.00 1.01 0.00 0.00 42.92 43.61 1sm9 s ASP 291 CO 0.06 0.25 0.94 -0.76 0.21 0.00 0.00 175.17 175.86 1sm9 s LEU 292 N -0.56 3.99 0.51 1.23 1.43 -1.26 -5.06 118.68 118.96 1sm9 s LEU 292 Ca 0.08 1.68 0.02 0.00 -1.03 0.00 0.00 54.13 54.88 1sm9 s LEU 292 Cb -0.08 -4.46 0.02 0.00 0.03 0.00 0.00 46.19 41.70 1sm9 s LEU 292 CO -0.01 -0.32 0.72 0.42 0.23 0.00 0.00 176.35 177.40 1sm9 s THR 293 N -2.11 2.89 0.25 5.49 -4.23 -1.26 -4.91 115.64 111.75 1sm9 s THR 293 Ca 0.60 -0.71 -0.04 0.00 -1.18 0.00 0.00 61.69 60.37 1sm9 s THR 293 Cb -0.10 -3.06 0.21 0.00 1.34 0.00 0.00 72.50 70.89 1sm9 s THR 293 CO 0.14 -0.04 1.75 0.50 -0.54 0.00 0.00 174.62 176.44 1sm9 h LYS 294 N 0.21 0.52 -0.39 3.99 3.64 -1.99 -0.19 116.57 122.37 1sm9 h LYS 294 Ca -0.42 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 58.85 1sm9 h LYS 294 Cb 1.29 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.98 1sm9 h LYS 294 CO 0.52 0.35 -0.04 0.93 -2.27 0.00 0.00 179.45 178.93 1sm9 h GLU 295 N 0.54 0.71 -0.53 1.90 3.07 -1.98 -1.16 114.58 117.13 1sm9 h GLU 295 Ca 0.41 -0.25 0.09 0.00 -0.50 0.00 0.00 59.36 59.11 1sm9 h GLU 295 Cb 0.57 -0.05 -0.07 0.00 -0.84 0.00 0.00 28.75 28.35 1sm9 h GLU 295 CO -0.36 0.83 0.12 -0.44 -1.40 0.00 0.00 179.01 177.76 1sm9 h ASP 296 N 0.53 0.02 -0.82 1.42 3.32 -1.51 0.21 116.42 119.60 1sm9 h ASP 296 Ca 0.10 0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.22 1sm9 h ASP 296 Cb 0.54 0.12 -0.04 0.00 0.22 0.00 0.00 39.33 40.17 1sm9 h ASP 296 CO 0.03 0.04 0.43 -0.26 -1.72 0.00 0.00 179.24 177.75 1sm9 h PHE 297 N 0.26 1.15 -0.50 4.55 0.04 -0.87 -1.27 116.94 120.29 1sm9 h PHE 297 Ca 0.27 -0.04 -0.08 0.00 2.80 0.00 0.00 57.97 60.92 1sm9 h PHE 297 Cb 0.36 -0.36 -0.02 0.00 2.20 0.00 0.00 35.95 38.13 1sm9 h PHE 297 CO -0.22 0.81 0.00 0.93 -0.60 0.00 0.00 178.31 179.23 1sm9 h GLU 298 N 1.16 0.85 -0.29 1.51 5.08 0.20 0.50 114.58 123.59 1sm9 h GLU 298 Ca 0.29 -0.24 -0.16 0.00 -1.00 0.00 0.00 59.36 58.25 1sm9 h GLU 298 Cb 0.07 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.22 1sm9 h GLU 298 CO -0.04 0.85 -0.44 0.93 -1.00 0.00 0.00 179.01 179.30 1sm9 h GLU 299 N 0.79 0.80 -0.10 2.33 4.39 -0.17 -3.01 114.58 119.61 1sm9 h GLU 299 Ca 0.15 -0.48 -0.10 0.00 0.34 0.00 0.00 59.36 59.27 1sm9 h GLU 299 Cb 0.47 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 1sm9 h GLU 299 CO 0.02 1.11 -0.38 0.82 -1.16 0.00 0.00 179.01 179.43 1sm9 h ILE 300 N 0.57 1.29 -0.43 3.13 2.04 -1.07 -2.86 117.51 120.17 1sm9 h ILE 300 Ca 0.03 -1.41 0.04 0.00 1.00 0.00 0.00 64.86 64.52 1sm9 h ILE 300 Cb 1.04 1.64 -0.02 0.00 -0.74 0.00 0.00 36.82 38.74 1sm9 h ILE 300 CO 0.10 0.42 0.29 0.00 0.00 0.00 0.00 178.15 178.96 1sm9 h ALA 301 N 1.44 1.89 0.00 1.87 0.00 -0.76 -1.02 119.26 122.68 1sm9 h ALA 301 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1sm9 h ALA 301 Cb 0.75 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1sm9 h ALA 301 CO 0.06 0.04 0.00 1.63 0.00 0.00 0.00 179.25 180.98 1sm9 n LYS 302 N -4.48 0.16 0.21 0.00 5.02 -1.08 -2.46 118.16 115.54 1sm9 n LYS 302 Ca 0.05 0.51 0.13 0.00 -2.02 0.00 0.00 58.31 56.98 1sm9 n LYS 302 Cb 0.20 -1.89 0.30 0.00 -0.02 0.00 0.00 35.03 33.61 1sm9 n LYS 302 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1sm9 h LEU 303 N 0.00 0.00 -9.30 -0.35 3.38 -1.33 -3.45 115.31 104.25 1sm9 h LEU 303 Ca 0.00 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 1sm9 h LEU 303 Cb 0.20 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.96 1sm9 h LEU 303 CO 0.00 0.00 1.28 -0.62 0.09 0.00 0.00 178.44 179.19 1sm9 s ASP 304 N -5.81 6.29 -0.00 -0.43 2.15 -0.89 -4.37 116.67 113.61 1sm9 s ASP 304 Ca 0.07 2.56 0.00 0.00 0.43 0.00 0.00 52.55 55.61 1sm9 s ASP 304 Cb 0.07 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.16 1sm9 s ASP 304 CO 0.63 -1.20 0.65 2.30 -0.17 0.00 0.00 175.17 177.38 1sm9 n ILE 305 N 5.89 0.28 -3.71 4.11 -5.35 -0.96 -5.01 119.36 114.61 1sm9 n ILE 305 Ca 0.21 -0.29 -0.27 0.00 -0.27 0.00 0.00 62.75 62.14 1sm9 n ILE 305 Cb 0.42 0.85 0.05 0.00 -1.74 0.00 0.00 39.64 39.22 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 -0.15 -0.53 3.57 3.28 0.00 0.89 -4.93 105.19 107.32 1sm9 n GLY 306 Ca 0.00 0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 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 -7.28 4.23 -0.22 0.99 2.96 0.32 -4.94 118.68 114.74 1sm9 s LEU 307 Ca 0.61 0.18 -0.05 0.00 -0.22 0.00 0.00 54.13 54.65 1sm9 s LEU 307 Cb -0.29 -2.83 -0.02 0.00 0.50 0.00 0.00 46.19 43.55 1sm9 s LEU 307 CO 0.76 -0.62 0.01 -0.60 -1.32 0.00 0.00 176.35 174.58 1sm9 s ARG 308 N 2.78 3.54 0.05 1.98 3.52 -1.26 -4.21 118.95 125.35 1sm9 s ARG 308 Ca 0.26 -0.54 0.16 0.00 -0.13 0.00 0.00 55.73 55.48 1sm9 s ARG 308 Cb -0.14 -3.13 -0.14 0.00 -1.56 0.00 0.00 34.95 29.98 1sm9 s ARG 308 CO 0.15 -0.12 0.81 1.19 -0.81 0.00 0.00 175.30 176.52 1sm9 n PHE 309 N 4.64 1.00 -3.59 5.12 3.72 -1.26 -4.64 117.46 122.45 1sm9 n PHE 309 Ca -0.17 0.33 -0.40 0.00 -0.05 0.00 0.00 57.45 57.16 1sm9 n PHE 309 Cb 0.51 -1.10 -0.07 0.00 -0.94 0.00 0.00 39.48 37.88 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 -5.81 5.73 -0.13 4.37 3.04 -1.26 -5.03 114.94 115.85 1sm9 s ASN 310 Ca -0.03 -2.68 -0.01 0.00 0.04 0.00 0.00 52.86 50.18 1sm9 s ASN 310 Cb 0.09 -1.97 0.03 0.00 -1.54 0.00 0.00 41.25 37.85 1sm9 s ASN 310 CO 0.81 -0.47 -0.04 -0.62 -3.04 0.00 0.00 177.10 173.74 1sm9 s ASP 311 N 1.38 2.33 0.18 -4.21 -1.08 -1.26 -4.98 116.67 109.02 1sm9 s ASP 311 Ca 0.16 -0.42 0.12 0.00 -0.52 0.00 0.00 52.55 51.89 1sm9 s ASP 311 Cb -0.18 -0.76 0.65 0.00 -1.46 0.00 0.00 42.92 41.17 1sm9 s ASP 311 CO -0.05 -0.17 1.36 -2.65 0.52 0.00 0.00 175.17 174.18 1sm9 n PRO 312 N 4.97 0.08 0.25 4.34 -0.02 -1.26 -0.17 135.00 143.19 1sm9 n PRO 312 Ca -0.11 0.57 0.11 0.00 -2.02 0.00 0.00 63.50 62.05 1sm9 n PRO 312 Cb 0.49 -1.77 0.65 0.00 -0.02 0.00 0.00 33.50 32.84 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 -1.89 -1.49 115.95 121.48 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 0.03 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 28.66 1sm9 h TRP 313 CO 0.00 0.16 -0.67 -0.44 -1.03 0.00 0.00 178.44 176.46 1sm9 h ASP 314 N 0.00 0.00 0.40 2.65 3.32 -0.90 -1.76 116.42 120.13 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 0.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.95 1sm9 h ASP 314 CO 0.02 0.67 -0.19 -0.50 -1.72 0.00 0.00 179.24 177.52 1sm9 h TRP 315 N 0.00 -0.49 -0.19 4.55 6.55 -1.37 -3.43 115.95 121.56 1sm9 h TRP 315 Ca -0.01 -0.01 -0.20 0.00 0.95 0.00 0.00 58.89 59.62 1sm9 h TRP 315 Cb 1.47 0.16 -0.26 0.00 -0.86 0.00 0.00 29.16 29.67 1sm9 h TRP 315 CO 0.00 -0.31 -0.66 -3.47 -1.05 0.00 0.00 178.44 172.96 1sm9 n ASP 316 N -5.07 -0.08 -3.90 -3.49 2.03 -1.03 -4.99 116.55 100.03 1sm9 n ASP 316 Ca -0.07 -2.13 -0.28 0.00 0.52 0.00 0.00 54.79 52.84 1sm9 n ASP 316 Cb 0.21 0.15 0.01 0.00 -0.72 0.00 0.00 41.12 40.77 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 -1.09 -2.83 -4.62 1.67 5.03 -0.66 -4.91 115.26 107.85 1sm9 n ASN 317 Ca -0.07 -0.86 -0.43 0.00 0.87 0.00 0.00 54.58 54.10 1sm9 n ASN 317 Cb 0.85 -3.67 -0.03 0.00 -1.02 0.00 0.00 39.78 35.90 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 -3.52 4.55 0.00 2.41 1.01 -1.09 -4.90 121.20 119.67 1sm9 s ILE 318 Ca 0.37 1.39 0.00 0.00 0.00 0.00 0.00 60.65 62.42 1sm9 s ILE 318 Cb -0.19 -4.36 0.00 0.00 0.01 0.00 0.00 42.46 37.92 1sm9 s ILE 318 CO 0.85 -0.52 0.55 -0.81 0.00 0.00 0.00 174.94 175.01 1sm9 n PRO 319 N 6.82 0.38 -0.16 2.79 -0.04 -1.26 -3.22 135.00 140.31 1sm9 n PRO 319 Ca 0.09 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.47 1sm9 n PRO 319 Cb 0.48 -1.31 0.01 0.00 -0.04 0.00 0.00 33.50 32.64 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 1.08 1.14 -0.68 0.52 1.08 -1.94 -3.16 117.51 115.55 1sm9 h ILE 320 Ca 0.00 -0.31 -0.33 0.00 -0.39 0.00 0.00 64.86 63.83 1sm9 h ILE 320 Cb 0.38 0.47 -0.20 0.00 -3.07 0.00 0.00 36.82 34.41 1sm9 h ILE 320 CO 0.00 0.14 0.29 0.49 -0.69 0.00 0.00 178.15 178.39 1sm9 n PHE 321 N -4.72 2.13 -0.29 1.37 3.72 -1.26 -4.73 117.46 113.68 1sm9 n PHE 321 Ca 0.02 -1.64 0.00 0.00 -0.05 0.00 0.00 57.45 55.78 1sm9 n PHE 321 Cb 0.04 -0.71 0.00 0.00 -0.94 0.00 0.00 39.48 37.87 1sm9 n PHE 321 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04