#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i09 h ALA 25 N 0.00 -0.30 0.00 4.61 0.00 -1.96 -3.31 119.26 118.31 3i09 h ALA 25 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3i09 h ALA 25 Cb 0.00 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3i09 h ALA 25 CO 0.00 -0.69 -1.49 -0.25 0.00 0.00 0.00 179.25 176.82 3i09 n ASP 26 N -5.28 0.57 -4.03 0.00 8.00 -1.26 -5.00 116.55 109.55 3i09 n ASP 26 Ca -0.07 -0.45 -0.08 0.00 0.71 0.00 0.00 54.79 54.89 3i09 n ASP 26 Cb 0.20 1.51 -0.11 0.00 -0.02 0.00 0.00 41.12 42.70 3i09 n ASP 26 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3i09 s SER 27 N -3.70 0.36 -0.34 -2.24 1.04 -1.25 -4.26 113.70 103.31 3i09 s SER 27 Ca -0.01 -0.73 -0.23 0.00 0.48 0.00 0.00 55.95 55.46 3i09 s SER 27 Cb 0.14 0.14 0.01 0.00 0.10 0.00 0.00 66.02 66.41 3i09 s SER 27 CO 0.85 -0.44 0.78 -0.69 0.98 0.00 0.00 173.24 174.72 3i09 s VAL 28 N -2.58 4.76 -0.23 5.02 1.01 0.20 0.48 120.40 129.06 3i09 s VAL 28 Ca -0.05 1.00 -0.08 0.00 0.00 0.00 0.00 61.98 62.84 3i09 s VAL 28 Cb -0.02 -4.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.14 3i09 s VAL 28 CO -0.05 -0.36 0.10 -0.54 0.00 0.00 0.00 175.10 174.25 3i09 s LYS 29 N 3.04 3.88 -0.19 2.72 1.02 -1.26 -0.61 119.74 128.34 3i09 s LYS 29 Ca 0.32 -0.37 -0.03 0.00 0.02 0.00 0.00 55.97 55.90 3i09 s LYS 29 Cb -0.14 -3.37 -0.02 0.00 -0.52 0.00 0.00 37.83 33.79 3i09 s LYS 29 CO 0.15 0.02 -0.06 0.42 -0.92 0.00 0.00 175.35 174.96 3i09 s ILE 30 N 1.10 3.46 -0.03 2.17 1.01 -0.05 -0.25 121.20 128.61 3i09 s ILE 30 Ca 0.05 -0.48 0.03 0.00 0.00 0.00 0.00 60.65 60.25 3i09 s ILE 30 Cb -0.14 -2.54 -0.03 0.00 0.01 0.00 0.00 42.46 39.76 3i09 s ILE 30 CO 0.04 0.46 -0.11 -0.83 0.00 0.00 0.00 174.94 174.50 3i09 s GLY 31 N 0.97 1.63 -0.11 6.18 0.00 0.54 -1.22 107.32 115.30 3i09 s GLY 31 Ca -0.00 -0.98 0.00 0.00 0.00 0.00 0.00 44.72 43.74 3i09 s GLY 31 CO 0.00 -0.80 -0.10 -0.12 0.00 0.00 0.00 173.10 172.09 3i09 s PHE 32 N -0.83 1.68 -0.16 1.90 5.36 -0.42 0.15 117.98 125.65 3i09 s PHE 32 Ca 0.13 -0.84 0.00 0.00 -0.96 0.00 0.00 56.93 55.27 3i09 s PHE 32 Cb -0.11 -1.31 0.02 0.00 -0.34 0.00 0.00 43.02 41.28 3i09 s PHE 32 CO 0.03 -0.52 -0.15 0.42 -1.46 0.00 0.00 175.22 173.54 3i09 s ILE 33 N 1.46 1.66 0.36 3.12 1.01 -0.89 -1.70 121.20 126.21 3i09 s ILE 33 Ca 0.01 -0.70 -0.07 0.00 0.00 0.00 0.00 60.65 59.89 3i09 s ILE 33 Cb -0.13 -1.55 0.02 0.00 0.01 0.00 0.00 42.46 40.81 3i09 s ILE 33 CO -0.07 0.46 0.59 0.28 0.00 0.00 0.00 174.94 176.21 3i09 s THR 34 N 1.45 0.00 0.68 2.92 -1.32 -1.07 -0.99 115.64 117.32 3i09 s THR 34 Ca 0.05 -1.38 -0.11 0.00 -1.21 0.00 0.00 61.69 59.04 3i09 s THR 34 Cb -0.13 -2.74 0.00 0.00 -1.51 0.00 0.00 72.50 68.13 3i09 s THR 34 CO -0.11 0.00 1.07 -0.62 -2.21 0.00 0.00 174.62 172.75 3i09 s ASP 35 N -3.18 5.60 0.00 8.08 2.15 -1.26 -1.22 116.67 126.83 3i09 s ASP 35 Ca 0.25 1.16 0.00 0.00 0.43 0.00 0.00 52.55 54.39 3i09 s ASP 35 Cb -0.02 -2.01 0.00 0.00 -0.30 0.00 0.00 42.92 40.58 3i09 s ASP 35 CO 0.17 -1.24 0.00 -1.54 -0.17 0.00 0.00 175.17 172.40 3i09 n SER 37 N -2.93 0.00 0.00 -0.34 3.41 -1.26 -3.81 113.62 108.69 3i09 n SER 37 Ca 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 3i09 n SER 37 Cb 0.57 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 3i09 n SER 37 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i09 n GLY 38 N 0.00 4.11 0.09 5.00 0.00 -1.26 -4.92 105.19 108.21 3i09 n GLY 38 Ca 0.00 -1.89 0.08 0.00 0.00 0.00 0.00 46.02 44.21 3i09 n GLY 38 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 3i09 n LEU 39 N 0.00 0.38 -0.76 0.99 -0.00 -1.26 -1.71 117.00 114.64 3i09 n LEU 39 Ca 0.00 0.63 0.07 0.00 -0.00 0.00 0.00 56.01 56.71 3i09 n LEU 39 Cb 0.00 -0.63 0.16 0.00 -0.00 0.00 0.00 43.42 42.95 3i09 n LEU 39 CO 0.00 -0.62 0.61 -1.22 -0.00 0.00 0.00 177.39 176.17 3i09 n TYR 40 N -1.96 0.43 -0.24 1.47 4.01 -1.26 -2.16 117.16 117.45 3i09 n TYR 40 Ca 0.01 -0.36 -0.08 0.00 -0.16 0.00 0.00 57.90 57.31 3i09 n TYR 40 Cb 0.11 -0.01 0.04 0.00 -0.31 0.00 0.00 39.34 39.17 3i09 n TYR 40 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3i09 h ALA 41 N 2.68 0.90 -0.41 -0.72 0.00 -1.44 -3.13 119.26 117.15 3i09 h ALA 41 Ca 0.00 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.53 3i09 h ALA 41 Cb 0.74 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3i09 h ALA 41 CO 0.00 0.65 -0.22 -0.44 0.00 0.00 0.00 179.25 179.25 3i09 h ASP 42 N 1.04 0.83 1.43 0.00 3.32 -1.85 -2.82 116.42 118.37 3i09 h ASP 42 Ca 0.21 -0.30 0.00 0.00 0.02 0.00 0.00 57.03 56.96 3i09 h ASP 42 Cb 0.42 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.75 3i09 h ASP 42 CO 0.01 1.02 0.00 0.16 -1.72 0.00 0.00 179.24 178.71 3i09 h ILE 43 N 0.71 0.00 0.00 0.35 3.07 -1.89 -3.46 117.51 116.29 3i09 h ILE 43 Ca 0.10 -0.57 0.00 0.00 1.55 0.00 0.00 64.86 65.94 3i09 h ILE 43 Cb 0.74 1.52 0.00 0.00 -0.27 0.00 0.00 36.82 38.82 3i09 h ILE 43 CO 0.06 0.00 0.00 -0.67 -1.05 0.00 0.00 178.15 176.49 3i09 n ASP 44 N -2.56 0.00 0.00 2.16 2.03 -1.14 -4.27 116.55 112.77 3i09 n ASP 44 Ca 0.04 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.35 3i09 n ASP 44 Cb 0.41 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.81 3i09 n ASP 44 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3i09 n GLY 45 N 0.00 1.98 0.32 0.27 0.00 -1.08 -1.58 105.19 105.11 3i09 n GLY 45 Ca 0.00 -0.34 0.10 0.00 0.00 0.00 0.00 46.02 45.77 3i09 n GLY 45 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3i09 h GLN 46 N 0.00 0.58 -0.98 1.61 4.15 -1.86 -0.85 115.11 117.76 3i09 h GLN 46 Ca 0.00 -0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.39 3i09 h GLN 46 Cb 0.00 -0.13 -0.05 0.00 0.21 0.00 0.00 27.48 27.51 3i09 h GLN 46 CO 0.00 0.38 0.64 0.78 -1.93 0.00 0.00 178.83 178.70 3i09 h GLY 47 N 0.59 1.39 1.03 2.39 0.00 -1.73 -0.09 103.07 106.66 3i09 h GLY 47 Ca 0.50 -0.53 -0.02 0.00 0.00 0.00 0.00 47.33 47.28 3i09 h GLY 47 CO -0.40 0.52 0.45 -1.33 0.00 0.00 0.00 176.54 175.77 3i09 h GLY 48 N 1.33 1.31 0.95 4.60 0.00 -0.15 -0.67 103.07 110.44 3i09 h GLY 48 Ca 0.36 -0.62 -0.01 0.00 0.00 0.00 0.00 47.33 47.06 3i09 h GLY 48 CO -0.08 0.59 0.17 -2.00 0.00 0.00 0.00 176.54 175.23 3i09 h LEU 49 N 1.22 0.48 -1.04 3.11 5.85 -0.71 -1.23 115.31 122.99 3i09 h LEU 49 Ca 0.30 -0.13 -0.06 0.00 0.84 0.00 0.00 57.88 58.83 3i09 h LEU 49 Cb 0.07 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 3i09 h LEU 49 CO -0.04 0.47 0.05 -0.08 -0.34 0.00 0.00 178.44 178.50 3i09 h GLU 50 N 0.45 0.74 -0.60 1.25 4.57 -0.66 -0.70 114.58 119.63 3i09 h GLU 50 Ca 0.12 -0.17 -0.01 0.00 -1.18 0.00 0.00 59.36 58.12 3i09 h GLU 50 Cb 0.12 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.58 3i09 h GLU 50 CO -0.02 0.72 0.32 0.00 -1.18 0.00 0.00 179.01 178.85 3i09 h ALA 51 N 1.35 0.76 -0.36 2.92 0.00 -0.79 -2.67 119.26 120.48 3i09 h ALA 51 Ca 0.15 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.96 3i09 h ALA 51 Cb 0.36 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3i09 h ALA 51 CO 0.01 0.29 0.21 0.82 0.00 0.00 0.00 179.25 180.58 3i09 h ILE 52 N 0.81 1.04 0.00 0.00 2.04 -0.71 -1.36 117.51 119.32 3i09 h ILE 52 Ca 0.21 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.92 3i09 h ILE 52 Cb 0.07 0.58 0.00 0.00 -0.74 0.00 0.00 36.82 36.72 3i09 h ILE 52 CO -0.03 0.08 0.00 0.29 0.00 0.00 0.00 178.15 178.49 3i09 n LYS 53 N -4.89 0.22 0.00 2.37 5.02 -0.32 -1.76 118.16 118.81 3i09 n LYS 53 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3i09 n LYS 53 Cb 0.05 -1.39 0.00 0.00 -0.02 0.00 0.00 35.03 33.68 3i09 n LYS 53 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i09 n ALA 55 N 0.99 0.00 -0.05 7.82 0.00 -0.51 -1.25 120.51 127.51 3i09 n ALA 55 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 3i09 n ALA 55 Cb 0.11 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.52 3i09 n ALA 55 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3i09 h VAL 56 N 0.00 1.08 -0.53 0.00 2.07 -1.62 -1.29 116.25 115.95 3i09 h VAL 56 Ca 0.00 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 3i09 h VAL 56 Cb 0.00 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 3i09 h VAL 56 CO 0.00 0.08 0.25 0.00 0.02 0.00 0.00 177.57 177.92 3i09 h ALA 57 N 1.04 0.69 0.00 1.67 0.00 -1.45 -0.20 119.26 121.00 3i09 h ALA 57 Ca 0.07 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 3i09 h ALA 57 Cb 0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3i09 h ALA 57 CO -0.01 0.25 -0.30 -0.44 0.00 0.00 0.00 179.25 178.75 3i09 h ASP 58 N 0.71 0.00 1.23 0.00 3.32 -1.77 -1.88 116.42 118.03 3i09 h ASP 58 Ca 0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.23 3i09 h ASP 58 Cb 0.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.68 3i09 h ASP 58 CO -0.02 0.30 0.00 0.15 -1.72 0.00 0.00 179.24 177.95 3i09 h PHE 59 N 0.00 0.00 0.00 4.55 3.57 -0.93 -3.46 116.94 120.67 3i09 h PHE 59 Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3i09 h PHE 59 Cb 0.58 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.32 3i09 h PHE 59 CO 0.00 0.00 0.00 0.41 -2.23 0.00 0.00 178.31 176.49 3i09 n GLY 60 N 0.37 1.08 3.01 2.40 0.00 -0.70 -4.73 105.19 106.63 3i09 n GLY 60 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3i09 n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i09 n GLY 61 N 0.00 1.20 3.27 -0.02 0.00 -0.11 -4.96 105.19 104.56 3i09 n GLY 61 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 3i09 n GLY 61 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i09 s LYS 62 N -0.01 0.99 -0.03 1.61 -2.85 -1.26 -1.36 119.74 116.82 3i09 s LYS 62 Ca 0.00 -1.00 -0.01 0.00 -1.00 0.00 0.00 55.97 53.96 3i09 s LYS 62 Cb 0.00 0.37 0.02 0.00 -2.06 0.00 0.00 37.83 36.16 3i09 s LYS 62 CO 0.00 -0.34 0.06 0.54 0.10 0.00 0.00 175.35 175.71 3i09 s VAL 63 N -3.89 -0.03 -1.56 1.79 0.11 -0.23 -4.84 120.40 111.74 3i09 s VAL 63 Ca 0.09 0.12 -0.13 0.00 -2.93 0.00 0.00 61.98 59.13 3i09 s VAL 63 Cb 0.04 -0.11 0.10 0.00 -1.53 0.00 0.00 36.38 34.88 3i09 s VAL 63 CO -0.07 0.05 0.88 0.59 -3.33 0.00 0.00 175.10 173.22 3i09 n ASN 64 N 3.73 -3.88 0.00 3.54 3.02 -1.26 -1.15 115.26 119.26 3i09 n ASN 64 Ca -0.21 -0.86 0.00 0.00 -0.03 0.00 0.00 54.58 53.48 3i09 n ASN 64 Cb 0.54 -3.53 0.00 0.00 -0.61 0.00 0.00 39.78 36.18 3i09 n ASN 64 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i09 n GLY 65 N -1.62 1.35 3.54 7.41 0.00 -1.26 -5.01 105.19 109.60 3i09 n GLY 65 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3i09 n GLY 65 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i09 s LYS 66 N -0.10 3.79 0.47 1.61 2.20 -0.30 -5.06 119.74 122.35 3i09 s LYS 66 Ca 0.00 -0.44 -0.24 0.00 -0.36 0.00 0.00 55.97 54.92 3i09 s LYS 66 Cb 0.00 -3.09 -0.07 0.00 -1.51 0.00 0.00 37.83 33.15 3i09 s LYS 66 CO 0.00 0.19 1.39 -2.14 -0.36 0.00 0.00 175.35 174.43 3i09 s PRO 67 N 0.55 3.56 -0.20 4.03 0.02 -1.26 -1.07 135.00 140.63 3i09 s PRO 67 Ca 0.00 2.34 -0.11 0.00 0.02 0.00 0.00 61.00 63.25 3i09 s PRO 67 Cb -0.14 -2.55 -0.05 0.00 0.02 0.00 0.00 34.50 31.78 3i09 s PRO 67 CO 0.02 -0.89 0.17 0.42 -0.33 0.00 0.00 177.00 176.39 3i09 s ILE 68 N -1.24 5.37 0.01 2.83 1.01 -0.46 -0.63 121.20 128.10 3i09 s ILE 68 Ca 0.64 0.26 0.06 0.00 0.00 0.00 0.00 60.65 61.60 3i09 s ILE 68 Cb -0.42 -3.51 -0.03 0.00 0.01 0.00 0.00 42.46 38.51 3i09 s ILE 68 CO 0.53 0.40 -0.15 -1.61 0.00 0.00 0.00 174.94 174.11 3i09 s GLU 69 N 0.57 2.27 -0.13 2.79 2.02 0.22 -4.91 118.70 121.54 3i09 s GLU 69 Ca 0.10 -0.86 0.01 0.00 0.02 0.00 0.00 54.97 54.23 3i09 s GLU 69 Cb -0.12 -2.29 -0.01 0.00 0.10 0.00 0.00 34.13 31.80 3i09 s GLU 69 CO 0.01 0.57 -0.15 0.08 0.02 0.00 0.00 175.26 175.79 3i09 s VAL 70 N -0.90 2.89 0.20 2.63 1.01 -1.26 -0.87 120.40 124.11 3i09 s VAL 70 Ca 0.14 -0.72 0.10 0.00 0.00 0.00 0.00 61.98 61.50 3i09 s VAL 70 Cb -0.11 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 3i09 s VAL 70 CO 0.05 0.53 -0.20 0.68 0.00 0.00 0.00 175.10 176.16 3i09 s VAL 71 N 0.36 2.09 0.17 2.92 -7.23 -0.36 -4.98 120.40 113.37 3i09 s VAL 71 Ca -0.12 -2.10 -0.13 0.00 -1.81 0.00 0.00 61.98 57.82 3i09 s VAL 71 Cb -0.16 -2.04 0.01 0.00 0.56 0.00 0.00 36.38 34.75 3i09 s VAL 71 CO 0.06 -0.32 0.40 -0.72 -0.31 0.00 0.00 175.10 174.21 3i09 s TYR 72 N -2.18 0.10 -0.12 2.82 1.13 -1.26 -1.31 117.35 116.54 3i09 s TYR 72 Ca 0.21 -0.46 -0.20 0.00 -1.41 0.00 0.00 57.07 55.22 3i09 s TYR 72 Cb -0.05 0.18 0.05 0.00 -1.10 0.00 0.00 41.96 41.03 3i09 s TYR 72 CO 0.09 -0.80 0.49 0.00 -2.51 0.00 0.00 175.55 172.83 3i09 s ALA 73 N -3.91 -1.25 -0.39 9.51 0.00 -0.69 -4.94 121.76 120.09 3i09 s ALA 73 Ca 0.12 1.13 -0.23 0.00 0.00 0.00 0.00 51.96 52.98 3i09 s ALA 73 Cb 0.01 -0.42 0.01 0.00 0.00 0.00 0.00 23.12 22.72 3i09 s ALA 73 CO -0.03 -0.27 0.76 0.34 0.00 0.00 0.00 175.76 176.56 3i09 s ASP 74 N -0.45 6.48 0.00 0.00 2.15 -1.26 -2.58 116.67 121.01 3i09 s ASP 74 Ca -0.06 0.16 0.25 0.00 0.43 0.00 0.00 52.55 53.33 3i09 s ASP 74 Cb -0.03 -2.38 1.17 0.00 -0.30 0.00 0.00 42.92 41.37 3i09 s ASP 74 CO 0.04 -0.78 1.83 0.00 -0.17 0.00 0.00 175.17 176.08 3i09 n HIS 75 N 6.47 0.00 -2.41 -5.34 1.44 -0.36 -4.90 115.22 110.13 3i09 n HIS 75 Ca 0.02 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.60 3i09 n HIS 75 Cb 0.48 -0.40 -0.01 0.00 0.12 0.00 0.00 29.99 30.19 3i09 n HIS 75 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 3i09 n GLN 76 N -1.40 -2.14 -3.06 -1.40 6.02 -1.26 -1.01 117.38 113.13 3i09 n GLN 76 Ca 0.09 0.65 -0.23 0.00 -0.01 0.00 0.00 57.00 57.50 3i09 n GLN 76 Cb 0.25 -5.24 0.03 0.00 1.02 0.00 0.00 30.24 26.30 3i09 n GLN 76 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3i09 n ASN 77 N -1.79 -5.88 -4.15 1.08 3.02 -1.26 -5.00 115.26 101.28 3i09 n ASN 77 Ca -0.16 -0.30 -0.33 0.00 -0.03 0.00 0.00 54.58 53.76 3i09 n ASN 77 Cb 0.61 -4.76 -0.15 0.00 -0.61 0.00 0.00 39.78 34.87 3i09 n ASN 77 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3i09 s LYS 78 N -5.74 2.82 0.36 3.52 -0.14 -0.18 -4.99 119.74 115.39 3i09 s LYS 78 Ca 0.32 -0.96 0.08 0.00 -1.36 0.00 0.00 55.97 54.05 3i09 s LYS 78 Cb -0.14 -2.79 0.80 0.00 -1.68 0.00 0.00 37.83 34.01 3i09 s LYS 78 CO 0.39 -0.34 1.91 0.00 -0.76 0.00 0.00 175.35 176.56 3i09 h ALA 79 N 7.94 1.80 -0.19 5.17 0.00 -1.86 -2.24 119.26 129.87 3i09 h ALA 79 Ca -0.36 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.37 3i09 h ALA 79 Cb 1.11 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 3i09 h ALA 79 CO 0.58 0.02 -0.58 0.38 0.00 0.00 0.00 179.25 179.65 3i09 h ASP 80 N 0.70 0.70 -0.21 0.00 2.03 -1.94 -1.23 116.42 116.48 3i09 h ASP 80 Ca 0.38 -0.39 -0.01 0.00 -0.73 0.00 0.00 57.03 56.29 3i09 h ASP 80 Cb 0.52 -0.20 -0.01 0.00 -0.83 0.00 0.00 39.33 38.81 3i09 h ASP 80 CO -0.15 1.12 0.11 0.40 -1.03 0.00 0.00 179.24 179.69 3i09 h ILE 81 N 0.47 1.12 -0.28 4.15 2.04 -1.76 -1.14 117.51 122.11 3i09 h ILE 81 Ca 0.00 -0.34 0.02 0.00 1.00 0.00 0.00 64.86 65.54 3i09 h ILE 81 Cb 1.15 0.97 -0.03 0.00 -0.74 0.00 0.00 36.82 38.17 3i09 h ILE 81 CO 0.11 0.12 0.12 0.00 0.00 0.00 0.00 178.15 178.51 3i09 h ALA 82 N 0.98 0.33 -0.58 1.87 0.00 -1.30 -1.42 119.26 119.14 3i09 h ALA 82 Ca 0.07 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 3i09 h ALA 82 Cb 0.09 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3i09 h ALA 82 CO -0.01 -0.27 -0.05 0.00 0.00 0.00 0.00 179.25 178.92 3i09 h ALA 83 N 1.16 0.81 -0.22 0.00 0.00 -1.15 -2.02 119.26 117.84 3i09 h ALA 83 Ca 0.12 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 3i09 h ALA 83 Cb 0.06 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3i09 h ALA 83 CO -0.10 0.67 0.10 0.77 0.00 0.00 0.00 179.25 180.70 3i09 h SER 84 N 0.95 0.30 -0.52 0.00 0.02 -1.04 -0.86 113.55 112.40 3i09 h SER 84 Ca 0.16 -0.14 -0.04 0.00 -0.84 0.00 0.00 61.79 60.93 3i09 h SER 84 Cb 0.61 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.05 3i09 h SER 84 CO 0.04 0.35 0.17 0.11 -1.14 0.00 0.00 176.83 176.36 3i09 h LYS 85 N 0.22 0.80 -0.53 3.45 1.79 -1.18 -1.36 116.57 119.76 3i09 h LYS 85 Ca 0.08 -0.17 -0.03 0.00 -2.18 0.00 0.00 60.65 58.35 3i09 h LYS 85 Cb 0.14 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 30.65 3i09 h LYS 85 CO -0.01 0.73 0.22 0.00 -1.08 0.00 0.00 179.45 179.32 3i09 h ALA 86 N 1.03 0.69 -0.21 3.86 0.00 -1.26 -0.87 119.26 122.50 3i09 h ALA 86 Ca 0.17 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.97 3i09 h ALA 86 Cb 0.26 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 3i09 h ALA 86 CO -0.01 0.29 -0.03 -0.09 0.00 0.00 0.00 179.25 179.41 3i09 h ARG 87 N 0.72 0.03 -0.42 0.00 2.43 -0.92 -2.87 114.38 113.34 3i09 h ARG 87 Ca 0.18 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.34 3i09 h ARG 87 Cb 0.18 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 3i09 h ARG 87 CO -0.02 0.02 0.23 1.49 -1.51 0.00 0.00 179.97 180.18 3i09 h GLU 88 N 0.03 0.59 -1.12 0.20 4.81 -0.99 -0.96 114.58 117.13 3i09 h GLU 88 Ca 0.10 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 3i09 h GLU 88 Cb 0.14 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.41 3i09 h GLU 88 CO -0.19 0.47 0.00 0.91 -0.73 0.00 0.00 179.01 179.46 3i09 n TRP 89 N -4.72 0.00 0.00 0.92 8.01 -0.35 -0.96 117.44 120.33 3i09 n TRP 89 Ca 0.01 -0.05 0.00 0.00 -1.31 0.00 0.00 57.50 56.15 3i09 n TRP 89 Cb 0.08 -0.08 0.00 0.00 -2.01 0.00 0.00 31.31 29.30 3i09 n TRP 89 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 3i09 n ASP 91 N 0.71 0.00 0.00 -0.99 8.00 -0.37 -1.20 116.55 122.69 3i09 n ASP 91 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 3i09 n ASP 91 Cb 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.16 3i09 n ASP 91 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3i09 n ARG 92 N 0.00 -0.03 -0.01 -1.24 1.74 -0.14 -4.79 116.66 112.19 3i09 n ARG 92 Ca 0.00 -0.35 0.02 0.00 -0.77 0.00 0.00 57.85 56.76 3i09 n ARG 92 Cb 0.00 -0.69 0.03 0.00 -1.02 0.00 0.00 32.46 30.78 3i09 n ARG 92 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i09 n GLY 93 N -0.04 -0.40 2.69 -0.13 0.00 -0.34 -5.01 105.19 101.95 3i09 n GLY 93 Ca 0.00 -0.14 -0.17 0.00 0.00 0.00 0.00 46.02 45.70 3i09 n GLY 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i09 n GLY 94 N 0.22 -0.27 3.74 -0.02 0.00 -0.87 -4.84 105.19 103.16 3i09 n GLY 94 Ca 0.03 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 3i09 n GLY 94 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3i09 s LEU 95 N -5.27 4.36 -0.16 0.99 2.96 -0.82 -1.40 118.68 119.34 3i09 s LEU 95 Ca 0.21 2.82 0.09 0.00 -0.22 0.00 0.00 54.13 57.02 3i09 s LEU 95 Cb -0.09 -3.62 -0.16 0.00 0.50 0.00 0.00 46.19 42.81 3i09 s LEU 95 CO 0.26 -0.84 -0.03 0.47 -1.32 0.00 0.00 176.35 174.89 3i09 n ASP 96 N 2.56 1.83 -3.85 3.68 8.00 0.66 -4.79 116.55 124.64 3i09 n ASP 96 Ca 0.09 -0.04 -0.18 0.00 0.71 0.00 0.00 54.79 55.37 3i09 n ASP 96 Cb 0.38 0.42 -0.16 0.00 -0.02 0.00 0.00 41.12 41.74 3i09 n ASP 96 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3i09 s LEU 97 N -5.47 1.26 -0.25 0.64 2.96 -0.80 -4.12 118.68 112.91 3i09 s LEU 97 Ca -0.14 -0.07 -0.09 0.00 -0.22 0.00 0.00 54.13 53.61 3i09 s LEU 97 Cb 0.05 -0.31 -0.04 0.00 0.50 0.00 0.00 46.19 46.39 3i09 s LEU 97 CO 0.54 -0.08 0.12 -0.22 -1.32 0.00 0.00 176.35 175.39 3i09 s LEU 98 N 0.93 3.77 -0.33 -0.68 2.96 -0.70 -0.34 118.68 124.30 3i09 s LEU 98 Ca -0.11 -0.06 -0.11 0.00 -0.22 0.00 0.00 54.13 53.63 3i09 s LEU 98 Cb -0.14 -2.02 -0.01 0.00 0.50 0.00 0.00 46.19 44.53 3i09 s LEU 98 CO -0.01 0.00 0.20 -0.69 -1.32 0.00 0.00 176.35 174.53 3i09 s VAL 99 N 1.43 4.93 -0.06 1.68 1.01 0.12 -0.99 120.40 128.53 3i09 s VAL 99 Ca 0.06 -0.37 -0.23 0.00 0.00 0.00 0.00 61.98 61.45 3i09 s VAL 99 Cb -0.15 -3.55 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 3i09 s VAL 99 CO 0.06 -0.00 0.66 -0.83 0.00 0.00 0.00 175.10 174.99 3i09 s GLY 100 N 1.66 2.61 0.00 4.51 0.00 0.35 -2.10 107.32 114.34 3i09 s GLY 100 Ca 0.05 0.09 0.00 0.00 0.00 0.00 0.00 44.72 44.86 3i09 s GLY 100 CO 0.08 1.07 0.00 0.61 0.00 0.00 0.00 173.10 174.86 3i09 n GLY 101 N 2.99 1.64 3.81 0.20 0.00 -0.16 -0.83 105.19 112.84 3i09 n GLY 101 Ca -0.03 -1.66 -0.30 0.00 0.00 0.00 0.00 46.02 44.03 3i09 n GLY 101 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i09 s THR 102 N 3.52 3.23 0.00 2.61 -4.23 -1.26 -1.94 115.64 117.56 3i09 s THR 102 Ca 0.00 0.40 0.00 0.00 -1.18 0.00 0.00 61.69 60.91 3i09 s THR 102 Cb 0.00 -3.17 0.00 0.00 1.34 0.00 0.00 72.50 70.67 3i09 s THR 102 CO 0.00 -0.52 0.00 -3.20 -0.54 0.00 0.00 174.62 170.36 3i09 n ASN 103 N -3.35 -1.43 0.25 3.99 2.85 -1.26 -4.54 115.26 111.76 3i09 n ASN 103 Ca 0.07 0.00 0.10 0.00 -0.11 0.00 0.00 54.58 54.64 3i09 n ASN 103 Cb 0.56 -0.72 0.63 0.00 1.24 0.00 0.00 39.78 41.50 3i09 n ASN 103 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 3i09 h SER 104 N 0.00 0.00 -0.36 1.20 0.02 -1.93 -0.14 113.55 112.34 3i09 h SER 104 Ca 0.00 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 3i09 h SER 104 Cb 0.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 3i09 h SER 104 CO 0.00 0.16 0.09 0.00 -1.14 0.00 0.00 176.83 175.94 3i09 h ALA 105 N 1.84 0.48 -0.22 3.77 0.00 -1.95 -0.89 119.26 122.29 3i09 h ALA 105 Ca -0.00 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.60 3i09 h ALA 105 Cb 0.37 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3i09 h ALA 105 CO 0.02 0.14 -0.40 1.79 0.00 0.00 0.00 179.25 180.81 3i09 h THR 106 N 0.44 1.30 -0.73 0.00 1.35 -1.72 -2.04 112.91 111.50 3i09 h THR 106 Ca 0.11 -1.55 0.04 0.00 -0.55 0.00 0.00 66.41 64.46 3i09 h THR 106 Cb 0.29 1.57 -0.05 0.00 -1.73 0.00 0.00 68.15 68.23 3i09 h THR 106 CO 0.00 0.48 0.45 0.00 -0.25 0.00 0.00 175.52 176.20 3i09 h ALA 107 N 1.16 0.96 -0.02 6.62 0.00 -0.79 -2.96 119.26 124.22 3i09 h ALA 107 Ca 0.04 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.73 3i09 h ALA 107 Cb 0.88 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3i09 h ALA 107 CO 0.07 0.22 -0.83 -0.07 0.00 0.00 0.00 179.25 178.64 3i09 h LEU 108 N 0.87 0.38 -1.65 0.00 3.38 -1.03 -0.61 115.31 116.64 3i09 h LEU 108 Ca 0.30 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3i09 h LEU 108 Cb 0.06 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.69 3i09 h LEU 108 CO -0.13 1.05 0.00 -1.54 0.09 0.00 0.00 178.44 177.92 3i09 n SER 109 N -3.74 1.33 0.00 -0.43 3.41 -0.78 -2.09 113.62 111.32 3i09 n SER 109 Ca -0.04 -1.16 0.00 0.00 -0.26 0.00 0.00 58.87 57.41 3i09 n SER 109 Cb 0.77 -0.29 0.00 0.00 -0.26 0.00 0.00 64.21 64.43 3i09 n SER 109 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3i09 n ASN 111 N 0.53 0.00 -0.15 4.04 5.15 -0.24 -2.65 115.26 121.95 3i09 n ASN 111 Ca 0.00 0.00 -0.09 0.00 -0.60 0.00 0.00 54.58 53.89 3i09 n ASN 111 Cb 0.24 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.49 3i09 n ASN 111 CO 0.00 0.00 0.00 -0.61 1.40 0.00 0.00 177.26 178.05 3i09 h GLN 112 N 0.00 0.64 -0.29 1.20 4.15 -1.69 -1.50 115.11 117.61 3i09 h GLN 112 Ca 0.00 -0.11 -0.01 0.00 0.77 0.00 0.00 58.65 59.31 3i09 h GLN 112 Cb 0.00 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 27.57 3i09 h GLN 112 CO 0.00 0.57 0.16 0.28 -1.93 0.00 0.00 178.83 177.91 3i09 h VAL 113 N 0.56 1.13 -0.91 2.39 2.07 -1.80 -0.58 116.25 119.10 3i09 h VAL 113 Ca 0.15 -0.33 0.03 0.00 0.82 0.00 0.00 66.70 67.36 3i09 h VAL 113 Cb 0.16 0.81 -0.05 0.00 -1.52 0.00 0.00 31.29 30.69 3i09 h VAL 113 CO -0.01 0.13 0.59 0.00 0.02 0.00 0.00 177.57 178.29 3i09 h ALA 114 N 1.04 1.19 -0.60 1.67 0.00 -1.82 0.14 119.26 120.87 3i09 h ALA 114 Ca 0.10 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 3i09 h ALA 114 Cb 0.06 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 3i09 h ALA 114 CO -0.02 0.47 -0.03 0.00 0.00 0.00 0.00 179.25 179.68 3i09 h ALA 115 N 1.36 0.82 -0.43 0.00 0.00 -1.10 0.23 119.26 120.15 3i09 h ALA 115 Ca 0.35 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3i09 h ALA 115 Cb -0.03 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3i09 h ALA 115 CO -0.11 0.67 0.08 0.93 0.00 0.00 0.00 179.25 180.83 3i09 h GLU 116 N 0.97 0.70 -0.12 0.00 5.08 -0.24 -3.17 114.58 117.80 3i09 h GLU 116 Ca 0.17 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3i09 h GLU 116 Cb 0.59 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.76 3i09 h GLU 116 CO 0.04 0.73 0.00 1.63 -1.00 0.00 0.00 179.01 180.41 3i09 n LYS 117 N -4.50 2.01 -3.61 2.33 4.76 0.40 -4.97 118.16 114.58 3i09 n LYS 117 Ca -0.00 -1.50 -0.23 0.00 -2.87 0.00 0.00 58.31 53.72 3i09 n LYS 117 Cb 0.23 -1.46 0.04 0.00 -1.84 0.00 0.00 35.03 32.00 3i09 n LYS 117 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3i09 n LYS 118 N 0.77 -3.45 -4.90 1.97 5.02 -0.01 -5.01 118.16 112.55 3i09 n LYS 118 Ca 0.17 0.63 -0.26 0.00 -2.02 0.00 0.00 58.31 56.83 3i09 n LYS 118 Cb 0.46 -5.03 -0.15 0.00 -0.02 0.00 0.00 35.03 30.29 3i09 n LYS 118 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3i09 s LYS 119 N -5.67 1.51 0.14 1.97 -0.14 -0.72 -4.67 119.74 112.16 3i09 s LYS 119 Ca 0.21 -0.68 -0.31 0.00 -1.36 0.00 0.00 55.97 53.83 3i09 s LYS 119 Cb -0.06 -1.47 -0.10 0.00 -1.68 0.00 0.00 37.83 34.53 3i09 s LYS 119 CO 0.81 0.40 1.57 0.08 -0.76 0.00 0.00 175.35 177.45 3i09 s VAL 120 N -0.45 2.75 -0.13 3.17 1.01 -1.26 -4.70 120.40 120.78 3i09 s VAL 120 Ca 0.07 0.49 -0.01 0.00 0.00 0.00 0.00 61.98 62.53 3i09 s VAL 120 Cb -0.07 -3.31 0.04 0.00 0.00 0.00 0.00 36.38 33.03 3i09 s VAL 120 CO -0.01 0.03 -0.02 -0.47 0.00 0.00 0.00 175.10 174.63 3i09 s TYR 121 N 1.40 1.19 -0.22 5.22 5.04 -0.27 -1.72 117.35 127.99 3i09 s TYR 121 Ca 0.70 -0.68 -0.00 0.00 -2.44 0.00 0.00 57.07 54.65 3i09 s TYR 121 Cb -0.43 -1.08 0.02 0.00 0.35 0.00 0.00 41.96 40.83 3i09 s TYR 121 CO 0.31 -0.50 -0.12 0.42 -1.34 0.00 0.00 175.55 174.31 3i09 s ILE 122 N 1.80 2.50 -0.21 3.14 1.01 -0.16 -0.83 121.20 128.46 3i09 s ILE 122 Ca 0.03 -1.01 -0.09 0.00 0.00 0.00 0.00 60.65 59.58 3i09 s ILE 122 Cb -0.14 -2.20 -0.05 0.00 0.01 0.00 0.00 42.46 40.09 3i09 s ILE 122 CO -0.07 0.34 0.11 0.21 0.00 0.00 0.00 174.94 175.53 3i09 s ASN 123 N 1.30 5.98 -0.14 3.58 3.84 0.52 -0.49 114.94 129.52 3i09 s ASN 123 Ca 0.02 0.14 -0.11 0.00 0.21 0.00 0.00 52.86 53.12 3i09 s ASN 123 Cb -0.15 -2.05 -0.06 0.00 -0.55 0.00 0.00 41.25 38.44 3i09 s ASN 123 CO -0.08 0.14 -0.24 -0.38 -2.79 0.00 0.00 177.10 173.75 3i09 n ILE 124 N 3.75 1.23 0.19 -5.21 -0.00 -0.01 -1.08 119.36 118.22 3i09 n ILE 124 Ca -0.16 -0.02 0.06 0.00 -0.00 0.00 0.00 62.75 62.63 3i09 n ILE 124 Cb 0.52 -1.94 0.29 0.00 -0.00 0.00 0.00 39.64 38.52 3i09 n ILE 124 CO 0.00 0.00 0.00 1.23 -0.00 0.00 0.00 176.55 177.78 3i09 h GLY 125 N -0.69 0.00 -3.83 7.39 0.00 -1.46 -3.41 103.07 101.08 3i09 h GLY 125 Ca -0.24 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.54 3i09 h GLY 125 CO -0.15 0.00 -0.17 0.00 0.00 0.00 0.00 176.54 176.22 3i09 s ALA 126 N -3.45 3.63 -0.08 3.60 0.00 -0.82 -4.46 121.76 120.18 3i09 s ALA 126 Ca 0.01 -0.35 0.16 0.00 0.00 0.00 0.00 51.96 51.78 3i09 s ALA 126 Cb 0.10 -2.35 -0.24 0.00 0.00 0.00 0.00 23.12 20.63 3i09 s ALA 126 CO 0.69 0.55 0.23 0.41 0.00 0.00 0.00 175.76 177.64 3i09 n GLY 127 N -0.01 -0.79 3.67 0.00 0.00 -1.26 -4.84 105.19 101.96 3i09 n GLY 127 Ca -0.01 -0.35 -0.53 0.00 0.00 0.00 0.00 46.02 45.14 3i09 n GLY 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i09 n ALA 128 N -2.32 0.08 0.60 4.61 0.00 -1.26 -1.03 120.51 121.19 3i09 n ALA 128 Ca -0.13 0.40 0.08 0.00 0.00 0.00 0.00 53.44 53.79 3i09 n ALA 128 Cb 0.70 -2.27 0.37 0.00 0.00 0.00 0.00 19.45 18.25 3i09 n ALA 128 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3i09 n ASP 129 N 4.85 0.00 -0.27 0.00 5.75 -1.26 -2.40 116.55 123.23 3i09 n ASP 129 Ca 0.23 0.50 0.29 0.00 -0.01 0.00 0.00 54.79 55.80 3i09 n ASP 129 Cb 0.20 -0.50 0.67 0.00 -1.03 0.00 0.00 41.12 40.46 3i09 n ASP 129 CO 0.00 0.00 0.00 0.74 -0.11 0.00 0.00 177.20 177.83 3i09 h THR 130 N 0.00 0.50 0.00 2.12 2.02 -1.96 -2.35 112.91 113.24 3i09 h THR 130 Ca 0.00 -0.04 -0.02 0.00 0.77 0.00 0.00 66.41 67.12 3i09 h THR 130 Cb 0.30 0.38 -0.00 0.00 -1.74 0.00 0.00 68.15 67.09 3i09 h THR 130 CO 0.00 0.02 -0.09 -0.07 0.37 0.00 0.00 175.52 175.75 3i09 h LEU 131 N 0.11 0.00 -3.01 2.58 3.38 -1.77 -0.53 115.31 116.07 3i09 h LEU 131 Ca 0.52 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.49 3i09 h LEU 131 Cb 1.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.59 3i09 h LEU 131 CO -0.08 0.09 0.00 0.35 0.09 0.00 0.00 178.44 178.89 3i09 n THR 132 N -3.62 1.68 0.00 0.22 -2.24 -0.90 -3.79 114.28 105.64 3i09 n THR 132 Ca -0.02 -1.95 0.00 0.00 -2.27 0.00 0.00 64.05 59.81 3i09 n THR 132 Cb 0.21 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.39 3i09 n THR 132 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3i09 n ASN 133 N -1.18 0.00 0.27 3.42 3.02 -0.85 -4.38 115.26 115.56 3i09 n ASN 133 Ca 0.12 0.00 0.10 0.00 -0.03 0.00 0.00 54.58 54.77 3i09 n ASN 133 Cb 0.55 0.00 0.72 0.00 -0.61 0.00 0.00 39.78 40.44 3i09 n ASN 133 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 3i09 h GLU 134 N 0.00 0.00 -0.25 3.52 3.07 -1.60 -2.19 114.58 117.14 3i09 h GLU 134 Ca 0.00 0.00 -0.13 0.00 -0.50 0.00 0.00 59.36 58.73 3i09 h GLU 134 Cb 0.00 0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 27.83 3i09 h GLU 134 CO 0.00 0.03 -0.21 1.04 -1.40 0.00 0.00 179.01 178.47 3i09 n GLN 135 N -4.25 1.76 -2.01 2.33 6.02 -0.26 -4.97 117.38 115.99 3i09 n GLN 135 Ca -0.03 -3.23 -0.38 0.00 -0.01 0.00 0.00 57.00 53.35 3i09 n GLN 135 Cb 0.11 -1.76 0.02 0.00 1.02 0.00 0.00 30.24 29.63 3i09 n GLN 135 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3i09 s THR 137 N -1.43 0.57 -1.82 0.00 -4.23 -1.26 -4.96 115.64 102.50 3i09 s THR 137 Ca 0.69 -1.92 0.26 0.00 -1.18 0.00 0.00 61.69 59.54 3i09 s THR 137 Cb -0.34 -1.76 0.66 0.00 1.34 0.00 0.00 72.50 72.40 3i09 s THR 137 CO 0.41 -0.79 1.92 -2.65 -0.54 0.00 0.00 174.62 172.97 3i09 n PRO 138 N -0.06 0.69 -0.08 3.99 -0.02 -1.26 -3.34 135.00 134.92 3i09 n PRO 138 Ca -0.11 0.01 0.05 0.00 -2.02 0.00 0.00 63.50 61.43 3i09 n PRO 138 Cb 0.61 -1.50 0.09 0.00 -0.02 0.00 0.00 33.50 32.68 3i09 n PRO 138 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3i09 n TYR 139 N -1.09 0.12 -4.92 6.00 4.01 -1.26 -5.01 117.16 115.01 3i09 n TYR 139 Ca 0.18 -0.71 -0.33 0.00 -0.16 0.00 0.00 57.90 56.88 3i09 n TYR 139 Cb 0.13 -0.10 -0.14 0.00 -0.31 0.00 0.00 39.34 38.91 3i09 n TYR 139 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 3i09 s THR 140 N -1.81 2.87 -0.08 -0.72 2.01 -1.21 -1.12 115.64 115.58 3i09 s THR 140 Ca 0.17 -0.76 0.03 0.00 0.31 0.00 0.00 61.69 61.44 3i09 s THR 140 Cb 0.14 -2.14 0.01 0.00 0.01 0.00 0.00 72.50 70.51 3i09 s THR 140 CO 0.03 0.56 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.66 3i09 s VAL 141 N -0.22 1.56 -0.41 3.82 1.01 -0.01 -4.39 120.40 121.77 3i09 s VAL 141 Ca 0.00 -0.72 -0.10 0.00 0.00 0.00 0.00 61.98 61.16 3i09 s VAL 141 Cb -0.13 -1.38 0.06 0.00 0.00 0.00 0.00 36.38 34.94 3i09 s VAL 141 CO 0.03 0.45 0.24 -2.28 0.00 0.00 0.00 175.10 173.54 3i09 s HIS 142 N 0.53 3.31 -0.12 5.22 2.46 0.22 -0.36 115.29 126.56 3i09 s HIS 142 Ca -0.16 -1.38 -0.09 0.00 0.47 0.00 0.00 55.06 53.90 3i09 s HIS 142 Cb -0.17 -2.81 -0.26 0.00 -0.13 0.00 0.00 32.58 29.21 3i09 s HIS 142 CO 0.06 -0.80 0.40 -0.92 -2.47 0.00 0.00 174.74 171.02 3i09 h TYR 143 N 8.42 0.47 0.00 3.88 3.20 -1.39 -3.41 116.97 128.13 3i09 h TYR 143 Ca -0.24 -0.34 -0.40 0.00 3.14 0.00 0.00 58.73 60.89 3i09 h TYR 143 Cb 1.09 -0.02 -0.06 0.00 1.54 0.00 0.00 36.73 39.28 3i09 h TYR 143 CO 0.60 1.73 -2.36 0.00 -1.64 0.00 0.00 178.16 176.49 3i09 n ALA 144 N -3.02 1.43 -3.77 1.82 0.00 -1.26 -4.90 120.51 110.81 3i09 n ALA 144 Ca -0.31 -0.98 -0.07 0.00 0.00 0.00 0.00 53.44 52.08 3i09 n ALA 144 Cb 1.01 0.15 -0.02 0.00 0.00 0.00 0.00 19.45 20.58 3i09 n ALA 144 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 3i09 s TYR 145 N -2.45 -0.23 0.32 0.00 1.13 -1.26 -4.73 117.35 110.13 3i09 s TYR 145 Ca -0.34 -0.16 -0.03 0.00 -1.41 0.00 0.00 57.07 55.13 3i09 s TYR 145 Cb 0.12 0.67 -0.00 0.00 -1.10 0.00 0.00 41.96 41.65 3i09 s TYR 145 CO 0.45 -1.09 0.44 0.16 -2.51 0.00 0.00 175.55 173.00 3i09 s ASP 146 N -2.89 0.78 0.00 -0.18 1.47 -1.26 -4.75 116.67 109.84 3i09 s ASP 146 Ca 0.10 -1.42 0.00 0.00 1.18 0.00 0.00 52.55 52.40 3i09 s ASP 146 Cb -0.04 0.63 0.00 0.00 -0.34 0.00 0.00 42.92 43.17 3i09 s ASP 146 CO 0.03 -1.24 0.48 0.35 0.68 0.00 0.00 175.17 175.47 3i09 n THR 147 N -0.53 0.48 0.00 2.11 -2.24 -0.20 -2.31 114.28 111.60 3i09 n THR 147 Ca 0.01 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 3i09 n THR 147 Cb 0.62 -1.01 0.00 0.00 -2.10 0.00 0.00 70.33 67.84 3i09 n THR 147 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i09 n ALA 149 N 1.60 0.00 -0.09 6.98 0.00 -1.15 -1.55 120.51 126.30 3i09 n ALA 149 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 3i09 n ALA 149 Cb 0.14 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.56 3i09 n ALA 149 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3i09 h LEU 150 N 0.00 0.40 -0.11 0.00 3.38 -1.76 -0.85 115.31 116.37 3i09 h LEU 150 Ca 0.00 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 57.82 3i09 h LEU 150 Cb 0.00 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3i09 h LEU 150 CO 0.00 0.45 0.02 0.00 0.09 0.00 0.00 178.44 179.00 3i09 h ALA 151 N 0.97 0.11 -0.59 1.53 0.00 -1.57 -1.12 119.26 118.58 3i09 h ALA 151 Ca 0.10 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 3i09 h ALA 151 Cb 0.17 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3i09 h ALA 151 CO -0.01 -0.44 0.16 0.87 0.00 0.00 0.00 179.25 179.83 3i09 h LYS 152 N 0.06 0.90 0.00 0.00 1.57 -1.78 -0.43 116.57 116.90 3i09 h LYS 152 Ca 0.05 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 3i09 h LYS 152 Cb 0.04 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.22 3i09 h LYS 152 CO -0.07 0.80 0.00 0.41 -0.57 0.00 0.00 179.45 180.02 3i09 n GLY 153 N -0.84 -1.11 0.17 3.86 0.00 -0.34 -3.65 105.19 103.27 3i09 n GLY 153 Ca 0.04 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.91 3i09 n GLY 153 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3i09 h THR 154 N 0.00 1.37 0.08 2.61 2.02 -1.30 -2.31 112.91 115.38 3i09 h THR 154 Ca 0.00 -1.79 0.02 0.00 0.77 0.00 0.00 66.41 65.41 3i09 h THR 154 Cb 0.00 2.17 -0.04 0.00 -1.74 0.00 0.00 68.15 68.55 3i09 h THR 154 CO 0.00 0.54 -0.24 1.23 0.37 0.00 0.00 175.52 177.41 3i09 h GLY 155 N 0.11 -0.42 0.68 2.16 0.00 -1.16 -1.36 103.07 103.07 3i09 h GLY 155 Ca -0.03 0.29 0.03 0.00 0.00 0.00 0.00 47.33 47.63 3i09 h GLY 155 CO 0.10 -0.21 -0.01 1.76 0.00 0.00 0.00 176.54 178.18 3i09 h SER 156 N -0.43 -0.09 -0.50 0.19 0.02 -1.56 -1.85 113.55 109.33 3i09 h SER 156 Ca 0.04 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 3i09 h SER 156 Cb 0.47 0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.07 3i09 h SER 156 CO -0.16 -0.02 0.33 0.00 -1.14 0.00 0.00 176.83 175.84 3i09 h ALA 157 N 1.18 0.64 -0.38 3.77 0.00 -1.26 -0.29 119.26 122.92 3i09 h ALA 157 Ca 0.10 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 3i09 h ALA 157 Cb 0.12 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3i09 h ALA 157 CO -0.17 0.09 -0.05 0.28 0.00 0.00 0.00 179.25 179.40 3i09 h VAL 158 N 0.68 1.27 -0.49 0.00 2.07 -1.16 -1.21 116.25 117.41 3i09 h VAL 158 Ca 0.18 -1.09 -0.01 0.00 0.82 0.00 0.00 66.70 66.61 3i09 h VAL 158 Cb -0.08 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 3i09 h VAL 158 CO -0.04 0.36 0.29 0.58 0.02 0.00 0.00 177.57 178.78 3i09 h VAL 159 N 0.52 1.16 0.00 2.57 2.07 -1.18 -0.60 116.25 120.79 3i09 h VAL 159 Ca 0.10 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 3i09 h VAL 159 Cb 0.54 0.52 -0.00 0.00 -1.52 0.00 0.00 31.29 30.83 3i09 h VAL 159 CO 0.03 0.17 -0.06 0.11 0.02 0.00 0.00 177.57 177.83 3i09 h LYS 160 N 0.66 0.00 -0.14 1.57 1.57 -0.81 -0.76 116.57 118.66 3i09 h LYS 160 Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 3i09 h LYS 160 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 3i09 h LYS 160 CO -0.03 0.06 0.00 1.04 -0.57 0.00 0.00 179.45 179.95 3i09 n GLN 161 N -3.44 1.43 -0.16 3.15 6.02 -0.48 -4.90 117.38 119.01 3i09 n GLN 161 Ca -0.02 -0.66 0.00 0.00 -0.01 0.00 0.00 57.00 56.31 3i09 n GLN 161 Cb 0.20 -1.26 0.00 0.00 1.02 0.00 0.00 30.24 30.20 3i09 n GLN 161 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3i09 n GLY 162 N 0.91 0.77 3.56 1.08 0.00 -0.29 -5.01 105.19 106.20 3i09 n GLY 162 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 3i09 n GLY 162 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i09 s GLY 163 N -1.62 1.60 -0.10 -0.02 0.00 -0.30 -4.78 107.32 102.10 3i09 s GLY 163 Ca 0.00 -2.76 -0.02 0.00 0.00 0.00 0.00 44.72 41.94 3i09 s GLY 163 CO 0.00 2.65 0.44 0.28 0.00 0.00 0.00 173.10 176.46 3i09 n LYS 164 N 8.28 0.73 -4.06 2.90 4.76 -1.26 -3.81 118.16 125.69 3i09 n LYS 164 Ca 0.43 0.27 -0.34 0.00 -2.87 0.00 0.00 58.31 55.79 3i09 n LYS 164 Cb 0.47 -1.73 -0.10 0.00 -1.84 0.00 0.00 35.03 31.84 3i09 n LYS 164 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3i09 s THR 165 N -2.57 4.70 0.04 -0.18 -4.23 -1.26 -0.43 115.64 111.72 3i09 s THR 165 Ca -0.18 -0.07 0.08 0.00 -1.18 0.00 0.00 61.69 60.34 3i09 s THR 165 Cb 0.07 -3.10 -0.03 0.00 1.34 0.00 0.00 72.50 70.78 3i09 s THR 165 CO 0.78 0.48 -0.22 0.26 -0.54 0.00 0.00 174.62 175.38 3i09 s TRP 166 N 0.24 1.94 -0.04 3.99 0.52 -0.27 -0.93 118.94 124.39 3i09 s TRP 166 Ca 0.03 -0.38 0.03 0.00 0.02 0.00 0.00 56.10 55.80 3i09 s TRP 166 Cb -0.12 -1.16 0.00 0.00 -1.15 0.00 0.00 33.47 31.04 3i09 s TRP 166 CO 0.01 0.10 -0.13 0.12 0.02 0.00 0.00 176.95 177.07 3i09 s PHE 167 N -0.80 1.30 -0.14 -1.98 2.19 -0.04 -0.14 117.98 118.38 3i09 s PHE 167 Ca 0.09 -0.36 -0.08 0.00 0.33 0.00 0.00 56.93 56.90 3i09 s PHE 167 Cb -0.09 -0.90 -0.04 0.00 -1.31 0.00 0.00 43.02 40.67 3i09 s PHE 167 CO 0.02 -0.14 0.15 -0.06 1.83 0.00 0.00 175.22 177.03 3i09 s PHE 168 N 0.15 3.55 -0.33 10.12 0.08 -0.35 -0.86 117.98 130.35 3i09 s PHE 168 Ca -0.04 0.50 -0.10 0.00 0.12 0.00 0.00 56.93 57.41 3i09 s PHE 168 Cb -0.10 -2.02 0.00 0.00 -0.57 0.00 0.00 43.02 40.33 3i09 s PHE 168 CO 0.01 0.61 0.16 -1.17 -0.10 0.00 0.00 175.22 174.73 3i09 s LEU 169 N -0.63 4.27 -0.11 -0.37 2.96 0.56 -0.73 118.68 124.62 3i09 s LEU 169 Ca 0.14 -0.68 0.02 0.00 -0.22 0.00 0.00 54.13 53.39 3i09 s LEU 169 Cb -0.12 -2.00 0.01 0.00 0.50 0.00 0.00 46.19 44.58 3i09 s LEU 169 CO 0.03 -0.25 -0.18 -0.89 -1.32 0.00 0.00 176.35 173.73 3i09 s THR 170 N 1.58 1.72 0.17 3.68 2.01 0.04 -0.49 115.64 124.36 3i09 s THR 170 Ca 0.04 -0.78 -0.31 0.00 0.31 0.00 0.00 61.69 60.94 3i09 s THR 170 Cb -0.18 -1.53 -0.09 0.00 0.01 0.00 0.00 72.50 70.70 3i09 s THR 170 CO 0.06 0.48 1.48 0.00 -0.69 0.00 0.00 174.62 175.96 3i09 s ALA 171 N 0.80 3.69 -1.52 7.40 0.00 -0.18 -1.05 121.76 130.90 3i09 s ALA 171 Ca -0.09 1.29 -0.11 0.00 0.00 0.00 0.00 51.96 53.05 3i09 s ALA 171 Cb -0.16 -3.58 -0.01 0.00 0.00 0.00 0.00 23.12 19.38 3i09 s ALA 171 CO 0.01 -0.72 2.59 -3.47 0.00 0.00 0.00 175.76 174.16 3i09 n ASP 172 N 3.50 6.84 -2.26 0.00 2.03 0.78 -3.71 116.55 123.73 3i09 n ASP 172 Ca 0.11 -2.76 -0.05 0.00 0.52 0.00 0.00 54.79 52.61 3i09 n ASP 172 Cb 0.40 -1.57 0.02 0.00 -0.72 0.00 0.00 41.12 39.25 3i09 n ASP 172 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3i09 n TYR 173 N 4.23 -1.77 -0.34 -0.67 4.11 -1.26 -4.78 117.16 116.67 3i09 n TYR 173 Ca 0.66 -1.18 0.10 0.00 -0.00 0.00 0.00 57.90 57.48 3i09 n TYR 173 Cb 0.29 0.59 0.30 0.00 -0.00 0.00 0.00 39.34 40.52 3i09 n TYR 173 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 3i09 h ALA 174 N 2.00 1.65 0.33 -3.48 0.00 -1.92 -1.83 119.26 115.99 3i09 h ALA 174 Ca -0.22 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 3i09 h ALA 174 Cb 0.82 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3i09 h ALA 174 CO 0.28 0.06 -0.16 0.35 0.00 0.00 0.00 179.25 179.78 3i09 h PHE 175 N 0.85 -0.40 -0.48 0.00 3.57 -1.90 -1.51 116.94 117.07 3i09 h PHE 175 Ca 0.52 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 62.03 3i09 h PHE 175 Cb 0.69 0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.53 3i09 h PHE 175 CO -0.00 -0.19 0.28 0.78 -2.23 0.00 0.00 178.31 176.94 3i09 h GLY 176 N -0.53 0.68 1.10 2.40 0.00 -1.47 -0.74 103.07 104.51 3i09 h GLY 176 Ca -0.04 -0.21 -0.10 0.00 0.00 0.00 0.00 47.33 46.98 3i09 h GLY 176 CO 0.07 0.17 -0.01 0.50 0.00 0.00 0.00 176.54 177.27 3i09 h LYS 177 N 0.56 1.07 -0.26 4.80 1.57 -1.32 0.25 116.57 123.23 3i09 h LYS 177 Ca 0.20 -0.34 -0.08 0.00 -1.87 0.00 0.00 60.65 58.56 3i09 h LYS 177 Cb 0.03 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 3i09 h LYS 177 CO -0.10 1.05 -0.13 0.00 -0.57 0.00 0.00 179.45 179.70 3i09 h ALA 178 N 1.00 0.37 -0.53 3.86 0.00 -0.99 -1.84 119.26 121.13 3i09 h ALA 178 Ca 0.17 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 3i09 h ALA 178 Cb 0.57 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 3i09 h ALA 178 CO 0.03 0.25 0.04 1.25 0.00 0.00 0.00 179.25 180.82 3i09 h LEU 179 N 0.29 0.88 -0.67 0.00 5.85 -0.99 -0.73 115.31 119.93 3i09 h LEU 179 Ca 0.06 -0.29 -0.02 0.00 0.84 0.00 0.00 57.88 58.47 3i09 h LEU 179 Cb 0.65 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 3i09 h LEU 179 CO 0.04 0.95 0.35 -0.08 -0.34 0.00 0.00 178.44 179.36 3i09 h GLU 180 N 0.78 0.95 -0.14 1.25 4.22 -0.93 -1.14 114.58 119.57 3i09 h GLU 180 Ca 0.15 -0.12 -0.02 0.00 0.08 0.00 0.00 59.36 59.45 3i09 h GLU 180 Cb 0.47 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 3i09 h GLU 180 CO 0.02 0.73 0.01 -0.22 -2.18 0.00 0.00 179.01 177.36 3i09 h LYS 181 N 0.93 0.24 -0.52 1.92 1.63 -0.99 0.92 116.57 120.69 3i09 h LYS 181 Ca 0.24 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.96 3i09 h LYS 181 Cb 0.07 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 31.65 3i09 h LYS 181 CO -0.04 0.46 0.33 -0.91 -3.45 0.00 0.00 179.45 175.85 3i09 h ASN 182 N -0.01 0.61 -0.26 4.20 -0.26 -1.04 -1.69 115.58 117.14 3i09 h ASN 182 Ca 0.04 -0.04 -0.14 0.00 -0.56 0.00 0.00 56.30 55.60 3i09 h ASN 182 Cb 0.35 -0.15 -0.00 0.00 -1.06 0.00 0.00 38.32 37.46 3i09 h ASN 182 CO 0.01 0.47 -0.40 0.74 -1.06 0.00 0.00 177.43 177.18 3i09 h THR 183 N 0.70 1.30 -0.87 2.81 2.02 -1.10 -2.00 112.91 115.77 3i09 h THR 183 Ca 0.19 -1.60 0.08 0.00 0.77 0.00 0.00 66.41 65.85 3i09 h THR 183 Cb -0.04 1.70 -0.07 0.00 -1.74 0.00 0.00 68.15 68.00 3i09 h THR 183 CO -0.04 0.51 0.53 0.00 0.37 0.00 0.00 175.52 176.89 3i09 h ALA 184 N 0.66 1.23 -0.43 6.16 0.00 -0.70 0.31 119.26 126.49 3i09 h ALA 184 Ca 0.02 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3i09 h ALA 184 Cb 1.00 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 3i09 h ALA 184 CO 0.09 0.23 0.06 -0.44 0.00 0.00 0.00 179.25 179.19 3i09 h ASP 185 N 0.93 0.69 -0.52 0.00 3.32 -1.16 -1.47 116.42 118.21 3i09 h ASP 185 Ca 0.40 -0.27 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 3i09 h ASP 185 Cb 0.26 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 3i09 h ASP 185 CO -0.21 0.79 0.27 0.58 -1.72 0.00 0.00 179.24 178.96 3i09 h VAL 186 N 0.57 1.18 -0.21 -1.35 2.07 -0.87 -0.93 116.25 116.72 3i09 h VAL 186 Ca 0.13 -0.48 0.02 0.00 0.82 0.00 0.00 66.70 67.18 3i09 h VAL 186 Cb 0.40 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 3i09 h VAL 186 CO 0.01 0.20 0.08 0.58 0.02 0.00 0.00 177.57 178.46 3i09 h VAL 187 N 0.69 0.96 -0.61 2.57 2.07 -0.76 -1.46 116.25 119.72 3i09 h VAL 187 Ca 0.18 -0.07 -0.09 0.00 0.82 0.00 0.00 66.70 67.54 3i09 h VAL 187 Cb 0.07 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 3i09 h VAL 187 CO -0.03 0.03 0.02 0.11 0.02 0.00 0.00 177.57 177.73 3i09 h LYS 188 N 0.19 1.06 0.00 1.57 1.57 -1.13 0.23 116.57 120.06 3i09 h LYS 188 Ca 0.09 -0.32 -0.03 0.00 -1.87 0.00 0.00 60.65 58.52 3i09 h LYS 188 Cb 0.05 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.25 3i09 h LYS 188 CO -0.08 1.02 -0.14 0.00 -0.57 0.00 0.00 179.45 179.68 3i09 h ALA 189 N 1.00 1.57 -0.48 3.86 0.00 -0.90 -2.04 119.26 122.27 3i09 h ALA 189 Ca 0.18 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3i09 h ALA 189 Cb 0.53 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3i09 h ALA 189 CO 0.03 0.18 0.00 0.09 0.00 0.00 0.00 179.25 179.54 3i09 n ASN 190 N -4.09 4.45 0.00 0.00 3.02 -0.57 -4.92 115.26 113.15 3i09 n ASN 190 Ca -0.02 -2.60 0.00 0.00 -0.03 0.00 0.00 54.58 51.93 3i09 n ASN 190 Cb 0.22 -0.60 0.00 0.00 -0.61 0.00 0.00 39.78 38.79 3i09 n ASN 190 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i09 n GLY 191 N 0.68 0.74 3.96 7.41 0.00 -0.77 -4.92 105.19 112.29 3i09 n GLY 191 Ca 0.22 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.97 3i09 n GLY 191 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i09 s GLY 192 N -1.63 1.77 -0.01 -0.02 0.00 0.79 -4.98 107.32 103.23 3i09 s GLY 192 Ca 0.00 -1.49 0.02 0.00 0.00 0.00 0.00 44.72 43.25 3i09 s GLY 192 CO 0.00 -0.81 -0.05 0.54 0.00 0.00 0.00 173.10 172.78 3i09 s LYS 193 N -5.52 0.53 -0.31 2.90 -0.14 0.43 -4.24 119.74 113.39 3i09 s LYS 193 Ca 0.70 -0.17 -0.10 0.00 -1.36 0.00 0.00 55.97 55.05 3i09 s LYS 193 Cb -0.04 -0.53 -0.01 0.00 -1.68 0.00 0.00 37.83 35.57 3i09 s LYS 193 CO 0.49 0.07 0.15 0.08 -0.76 0.00 0.00 175.35 175.38 3i09 s VAL 194 N 0.14 4.59 -0.94 3.17 1.01 -1.26 -1.11 120.40 125.99 3i09 s VAL 194 Ca -0.01 -0.43 0.25 0.00 0.00 0.00 0.00 61.98 61.79 3i09 s VAL 194 Cb -0.05 -3.35 0.04 0.00 0.00 0.00 0.00 36.38 33.02 3i09 s VAL 194 CO -0.00 0.06 1.46 0.18 0.00 0.00 0.00 175.10 176.79 3i09 n LEU 195 N 4.98 0.48 0.00 3.92 4.77 0.80 -4.95 117.00 127.00 3i09 n LEU 195 Ca -0.14 0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 3i09 n LEU 195 Cb 0.49 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 3i09 n LEU 195 CO 0.34 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 3i09 n GLY 196 N 1.47 -0.68 3.28 -0.72 0.00 -1.25 -5.02 105.19 102.27 3i09 n GLY 196 Ca 0.05 -1.59 -0.10 0.00 0.00 0.00 0.00 46.02 44.38 3i09 n GLY 196 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3i09 s GLU 197 N -1.75 0.99 -0.02 1.61 -1.05 -1.26 -1.21 118.70 116.01 3i09 s GLU 197 Ca 0.00 -0.83 0.02 0.00 -0.15 0.00 0.00 54.97 54.01 3i09 s GLU 197 Cb 0.00 0.42 0.01 0.00 -0.44 0.00 0.00 34.13 34.11 3i09 s GLU 197 CO 0.00 -0.36 -0.06 0.54 0.95 0.00 0.00 175.26 176.32 3i09 s VAL 198 N -3.84 0.60 -0.04 1.83 0.11 0.09 -4.93 120.40 114.22 3i09 s VAL 198 Ca 0.04 -0.24 -0.04 0.00 -2.93 0.00 0.00 61.98 58.81 3i09 s VAL 198 Cb 0.03 -0.55 -0.04 0.00 -1.53 0.00 0.00 36.38 34.29 3i09 s VAL 198 CO -0.11 0.20 0.16 -0.13 -3.33 0.00 0.00 175.10 171.89 3i09 s ARG 199 N 0.33 3.40 0.08 1.54 0.52 -1.26 -0.78 118.95 122.77 3i09 s ARG 199 Ca -0.04 -0.29 0.05 0.00 -0.52 0.00 0.00 55.73 54.93 3i09 s ARG 199 Cb -0.09 -3.09 -0.03 0.00 0.52 0.00 0.00 34.95 32.26 3i09 s ARG 199 CO 0.00 0.70 -0.13 -3.38 0.02 0.00 0.00 175.30 172.51 3i09 s HIS 200 N -1.23 1.16 0.63 -0.53 -3.43 -0.21 -4.92 115.29 106.75 3i09 s HIS 200 Ca 0.23 -0.50 -0.18 0.00 -0.80 0.00 0.00 55.06 53.81 3i09 s HIS 200 Cb -0.12 -0.65 -0.02 0.00 -1.43 0.00 0.00 32.58 30.36 3i09 s HIS 200 CO 0.14 0.04 1.27 -2.14 -2.00 0.00 0.00 174.74 172.06 3i09 s PRO 201 N -1.95 2.70 0.28 -0.38 0.02 -1.26 -0.16 135.00 134.25 3i09 s PRO 201 Ca -0.01 2.01 -0.30 0.00 0.02 0.00 0.00 61.00 62.72 3i09 s PRO 201 Cb -0.09 -1.89 -0.13 0.00 0.02 0.00 0.00 34.50 32.42 3i09 s PRO 201 CO 0.02 -1.47 1.44 -0.11 -0.33 0.00 0.00 177.00 176.55 3i09 n LEU 202 N -1.77 3.63 -3.58 -5.54 7.94 -1.26 -2.48 117.00 113.94 3i09 n LEU 202 Ca 0.15 1.16 -0.21 0.00 -1.11 0.00 0.00 56.01 56.00 3i09 n LEU 202 Cb 0.48 -1.50 0.07 0.00 0.53 0.00 0.00 43.42 43.01 3i09 n LEU 202 CO 0.46 -0.28 0.10 -0.24 -1.11 0.00 0.00 177.39 176.32 3i09 n SER 203 N 1.76 -3.00 -4.77 1.96 2.88 -1.26 -4.93 113.62 106.26 3i09 n SER 203 Ca 0.09 -0.67 -0.40 0.00 -1.33 0.00 0.00 58.87 56.56 3i09 n SER 203 Cb 0.34 -4.73 0.00 0.00 -0.75 0.00 0.00 64.21 59.08 3i09 n SER 203 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3i09 s ALA 204 N -3.42 3.35 -0.80 -1.46 0.00 -1.04 -4.95 121.76 113.45 3i09 s ALA 204 Ca 0.19 1.38 0.25 0.00 0.00 0.00 0.00 51.96 53.78 3i09 s ALA 204 Cb -0.09 -3.54 0.52 0.00 0.00 0.00 0.00 23.12 20.01 3i09 s ALA 204 CO 0.76 -0.96 1.44 -1.13 0.00 0.00 0.00 175.76 175.87 3i09 n SER 205 N 0.20 0.57 -3.61 0.00 3.41 -1.26 -4.82 113.62 108.10 3i09 n SER 205 Ca 0.03 0.06 -0.06 0.00 -0.26 0.00 0.00 58.87 58.64 3i09 n SER 205 Cb 0.42 0.07 -0.08 0.00 -0.26 0.00 0.00 64.21 64.36 3i09 n SER 205 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3i09 s ASP 206 N -3.71 -0.47 0.00 4.04 -1.08 -1.26 -5.03 116.67 109.16 3i09 s ASP 206 Ca 0.09 1.07 0.25 0.00 -0.52 0.00 0.00 52.55 53.44 3i09 s ASP 206 Cb 0.15 1.59 0.44 0.00 -1.46 0.00 0.00 42.92 43.64 3i09 s ASP 206 CO 0.69 -0.24 1.39 0.49 0.52 0.00 0.00 175.17 178.02 3i09 n PHE 207 N 5.40 0.00 0.00 -5.34 3.72 -1.26 -4.69 117.46 115.29 3i09 n PHE 207 Ca -0.09 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.21 3i09 n PHE 207 Cb 0.49 -0.01 -0.05 0.00 -0.94 0.00 0.00 39.48 38.97 3i09 n PHE 207 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3i09 h SER 208 N 3.38 0.07 -0.39 4.37 4.64 -1.95 -1.01 113.55 122.66 3i09 h SER 208 Ca 0.00 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 3i09 h SER 208 Cb 0.78 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.85 3i09 h SER 208 CO 0.00 0.05 0.08 0.28 -0.87 0.00 0.00 176.83 176.37 3i09 h SER 209 N 0.10 0.60 -0.89 4.97 0.02 -2.00 -0.96 113.55 115.40 3i09 h SER 209 Ca 0.04 -0.25 0.02 0.00 -0.84 0.00 0.00 61.79 60.76 3i09 h SER 209 Cb 0.01 -0.16 -0.05 0.00 0.14 0.00 0.00 62.40 62.34 3i09 h SER 209 CO -0.03 0.70 0.59 -0.26 -1.14 0.00 0.00 176.83 176.68 3i09 h PHE 210 N 0.49 1.10 -0.42 3.45 0.04 -1.83 -1.06 116.94 118.70 3i09 h PHE 210 Ca 0.12 0.03 -0.10 0.00 2.80 0.00 0.00 57.97 60.82 3i09 h PHE 210 Cb 0.34 -0.37 -0.01 0.00 2.20 0.00 0.00 35.95 38.11 3i09 h PHE 210 CO 0.02 0.67 -0.12 -0.07 -0.60 0.00 0.00 178.31 178.21 3i09 h LEU 211 N 1.17 0.83 -1.15 1.54 3.38 -0.96 -1.16 115.31 118.96 3i09 h LEU 211 Ca 0.34 -0.37 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 3i09 h LEU 211 Cb -0.07 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.42 3i09 h LEU 211 CO -0.09 1.01 0.24 -0.07 0.09 0.00 0.00 178.44 179.62 3i09 h LEU 212 N 0.64 0.77 -0.27 1.67 3.38 -0.86 -0.12 115.31 120.52 3i09 h LEU 212 Ca 0.10 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3i09 h LEU 212 Cb 0.65 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 3i09 h LEU 212 CO 0.04 0.68 0.04 1.56 0.09 0.00 0.00 178.44 180.86 3i09 h GLN 213 N 0.84 0.45 -0.48 1.13 4.20 -1.02 -1.49 115.11 118.74 3i09 h GLN 213 Ca 0.20 -0.12 -0.00 0.00 0.06 0.00 0.00 58.65 58.79 3i09 h GLN 213 Cb 0.15 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 3i09 h GLN 213 CO -0.02 0.57 0.30 0.00 -0.67 0.00 0.00 178.83 179.00 3i09 h ALA 214 N 0.86 0.61 -0.82 3.87 0.00 -0.76 -2.31 119.26 120.73 3i09 h ALA 214 Ca 0.08 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3i09 h ALA 214 Cb 0.34 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 3i09 h ALA 214 CO 0.01 0.09 0.46 0.37 0.00 0.00 0.00 179.25 180.17 3i09 h GLN 215 N 0.64 1.12 0.00 0.00 4.15 -0.90 -2.30 115.11 117.82 3i09 h GLN 215 Ca 0.17 -0.12 -0.01 0.00 0.77 0.00 0.00 58.65 59.47 3i09 h GLN 215 Cb -0.03 -0.23 -0.00 0.00 0.21 0.00 0.00 27.48 27.43 3i09 h GLN 215 CO -0.03 0.81 -0.02 0.66 -1.93 0.00 0.00 178.83 178.31 3i09 h SER 216 N 1.13 0.00 0.46 -0.69 4.64 -0.68 -1.89 113.55 116.51 3i09 h SER 216 Ca 0.29 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.61 3i09 h SER 216 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3i09 h SER 216 CO -0.05 0.02 -0.02 0.77 -0.87 0.00 0.00 176.83 176.68 3i09 h SER 217 N 0.00 0.00 -0.30 4.97 4.64 -1.35 -3.46 113.55 118.05 3i09 h SER 217 Ca -0.00 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.19 3i09 h SER 217 Cb 0.11 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.15 3i09 h SER 217 CO 0.00 0.02 -0.12 0.29 -0.87 0.00 0.00 176.83 176.16 3i09 n LYS 218 N -3.19 -0.98 -1.67 4.77 5.02 -0.71 -5.00 118.16 116.40 3i09 n LYS 218 Ca -0.01 0.62 -0.38 0.00 -2.02 0.00 0.00 58.31 56.51 3i09 n LYS 218 Cb 0.19 -4.55 0.05 0.00 -0.02 0.00 0.00 35.03 30.70 3i09 n LYS 218 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i09 n ALA 219 N 1.12 0.72 -0.01 7.82 0.00 -1.26 -4.94 120.51 123.96 3i09 n ALA 219 Ca -0.06 0.07 -0.10 0.00 0.00 0.00 0.00 53.44 53.35 3i09 n ALA 219 Cb 0.34 -2.21 0.06 0.00 0.00 0.00 0.00 19.45 17.64 3i09 n ALA 219 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3i09 h GLN 220 N 0.92 0.60 -5.05 0.00 4.20 -1.70 -3.45 115.11 110.62 3i09 h GLN 220 Ca -0.49 -0.36 -0.63 0.00 0.06 0.00 0.00 58.65 57.23 3i09 h GLN 220 Cb 1.34 0.03 -0.34 0.00 0.30 0.00 0.00 27.48 28.82 3i09 h GLN 220 CO 0.54 0.97 -0.86 0.42 -0.67 0.00 0.00 178.83 179.22 3i09 s ILE 221 N -4.08 1.79 -0.46 2.54 -1.09 -0.11 -1.21 121.20 118.58 3i09 s ILE 221 Ca -0.08 -0.84 -0.18 0.00 -2.23 0.00 0.00 60.65 57.32 3i09 s ILE 221 Cb 0.11 -1.59 0.04 0.00 -1.58 0.00 0.00 42.46 39.45 3i09 s ILE 221 CO 0.84 0.50 0.53 -0.22 -1.23 0.00 0.00 174.94 175.36 3i09 s LEU 222 N 0.65 4.94 -0.25 2.97 2.96 -0.15 -0.86 118.68 128.94 3i09 s LEU 222 Ca -0.13 -0.80 -0.25 0.00 -0.22 0.00 0.00 54.13 52.73 3i09 s LEU 222 Cb -0.16 -2.43 -0.00 0.00 0.50 0.00 0.00 46.19 44.09 3i09 s LEU 222 CO 0.03 -0.73 0.86 -0.83 -1.32 0.00 0.00 176.35 174.36 3i09 s GLY 223 N 2.26 1.73 -0.97 7.98 0.00 -0.04 -0.80 107.32 117.49 3i09 s GLY 223 Ca 0.14 -0.13 -0.17 0.00 0.00 0.00 0.00 44.72 44.55 3i09 s GLY 223 CO 0.13 1.87 1.13 1.08 0.00 0.00 0.00 173.10 177.30 3i09 s LEU 224 N 2.94 5.36 -1.40 0.66 1.43 -0.08 -0.32 118.68 127.28 3i09 s LEU 224 Ca 0.36 -2.37 -0.08 0.00 -1.03 0.00 0.00 54.13 51.01 3i09 s LEU 224 Cb -0.15 -2.36 0.08 0.00 0.03 0.00 0.00 46.19 43.78 3i09 s LEU 224 CO 0.08 -0.90 2.36 0.00 0.23 0.00 0.00 176.35 178.12 3i09 n ALA 225 N 5.85 6.46 -3.64 4.21 0.00 0.36 -3.17 120.51 130.58 3i09 n ALA 225 Ca 0.25 -4.00 -0.05 0.00 0.00 0.00 0.00 53.44 49.64 3i09 n ALA 225 Cb 0.47 -3.05 0.00 0.00 0.00 0.00 0.00 19.45 16.87 3i09 n ALA 225 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3i09 n ASN 226 N 3.20 -1.34 -3.96 0.00 0.23 -1.26 -1.01 115.26 111.11 3i09 n ASN 226 Ca 0.59 -2.24 -0.09 0.00 -0.53 0.00 0.00 54.58 52.31 3i09 n ASN 226 Cb 0.29 2.33 -0.05 0.00 -2.08 0.00 0.00 39.78 40.26 3i09 n ASN 226 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3i09 s ALA 227 N -2.07 -0.24 0.00 -2.53 0.00 -1.26 -4.22 121.76 111.45 3i09 s ALA 227 Ca 0.16 -0.88 0.00 0.00 0.00 0.00 0.00 51.96 51.23 3i09 s ALA 227 Cb -0.02 1.06 0.00 0.00 0.00 0.00 0.00 23.12 24.16 3i09 s ALA 227 CO 0.11 -0.86 0.00 0.41 0.00 0.00 0.00 175.76 175.42 3i09 n GLY 228 N -0.39 3.07 0.29 0.00 0.00 -1.26 -1.73 105.19 105.17 3i09 n GLY 228 Ca -0.02 -0.21 0.12 0.00 0.00 0.00 0.00 46.02 45.91 3i09 n GLY 228 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3i09 h GLY 229 N 0.00 0.00 1.01 -0.02 0.00 -1.83 -1.23 103.07 101.00 3i09 h GLY 229 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 3i09 h GLY 229 CO 0.00 0.00 -0.01 -0.55 0.00 0.00 0.00 176.54 175.98 3i09 h ASP 230 N 0.00 0.86 -0.41 0.19 3.32 -1.64 0.91 116.42 119.65 3i09 h ASP 230 Ca 0.05 -0.31 -0.03 0.00 0.02 0.00 0.00 57.03 56.75 3i09 h ASP 230 Cb 0.21 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 3i09 h ASP 230 CO -0.00 0.96 0.12 0.74 -1.72 0.00 0.00 179.24 179.34 3i09 h THR 231 N 0.73 1.22 0.35 0.35 2.02 -0.99 -0.83 112.91 115.77 3i09 h THR 231 Ca 0.14 -0.73 -0.02 0.00 0.77 0.00 0.00 66.41 66.57 3i09 h THR 231 Cb 0.53 0.92 0.00 0.00 -1.74 0.00 0.00 68.15 67.86 3i09 h THR 231 CO 0.03 0.26 -0.17 0.58 0.37 0.00 0.00 175.52 176.58 3i09 h VAL 232 N 0.52 0.64 -0.55 3.16 2.07 -1.24 -0.89 116.25 119.96 3i09 h VAL 232 Ca 0.13 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.60 3i09 h VAL 232 Cb 0.27 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 3i09 h VAL 232 CO -0.00 0.00 0.13 0.78 0.02 0.00 0.00 177.57 178.50 3i09 h ASN 233 N -0.48 0.79 -0.53 0.57 2.35 -0.81 -1.56 115.58 115.91 3i09 h ASN 233 Ca -0.05 -0.14 -0.07 0.00 -0.55 0.00 0.00 56.30 55.50 3i09 h ASN 233 Cb 0.37 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.52 3i09 h ASN 233 CO 0.07 0.77 0.07 0.00 -1.65 0.00 0.00 177.43 176.69 3i09 h ALA 234 N 1.33 0.71 -0.43 -0.83 0.00 -1.03 -0.92 119.26 118.09 3i09 h ALA 234 Ca 0.18 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 3i09 h ALA 234 Cb 0.30 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3i09 h ALA 234 CO -0.00 0.46 -0.12 0.82 0.00 0.00 0.00 179.25 180.41 3i09 h ILE 235 N 0.78 1.27 -0.80 0.00 2.04 -0.88 0.33 117.51 120.25 3i09 h ILE 235 Ca 0.16 -1.24 -0.00 0.00 1.00 0.00 0.00 64.86 64.78 3i09 h ILE 235 Cb 0.43 1.18 -0.04 0.00 -0.74 0.00 0.00 36.82 37.65 3i09 h ILE 235 CO 0.01 0.42 0.49 0.11 0.00 0.00 0.00 178.15 179.18 3i09 h LYS 236 N 0.67 1.07 -0.36 2.37 1.57 -1.16 -1.78 116.57 118.95 3i09 h LYS 236 Ca 0.11 -0.09 -0.13 0.00 -1.87 0.00 0.00 60.65 58.67 3i09 h LYS 236 Cb 0.66 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 3i09 h LYS 236 CO 0.05 0.75 -0.30 0.00 -0.57 0.00 0.00 179.45 179.37 3i09 h ALA 237 N 1.27 0.78 -0.87 3.86 0.00 -0.97 -0.45 119.26 122.87 3i09 h ALA 237 Ca 0.29 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3i09 h ALA 237 Cb -0.06 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 3i09 h ALA 237 CO -0.06 0.65 0.49 0.00 0.00 0.00 0.00 179.25 180.33 3i09 h ALA 238 N 0.99 1.21 -0.07 0.00 0.00 -0.53 0.00 119.26 120.87 3i09 h ALA 238 Ca 0.08 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 3i09 h ALA 238 Cb 0.84 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3i09 h ALA 238 CO 0.07 0.64 -0.32 -0.22 0.00 0.00 0.00 179.25 179.43 3i09 h LYS 239 N 1.22 0.34 -0.65 0.00 3.64 -1.13 0.14 116.57 120.12 3i09 h LYS 239 Ca 0.31 -0.27 0.03 0.00 -1.27 0.00 0.00 60.65 59.45 3i09 h LYS 239 Cb 0.01 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.84 3i09 h LYS 239 CO -0.05 0.91 0.40 1.49 -2.27 0.00 0.00 179.45 179.93 3i09 h GLU 240 N -0.16 0.75 -0.66 1.90 4.81 -0.74 -2.49 114.58 117.99 3i09 h GLU 240 Ca -0.02 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 3i09 h GLU 240 Cb 0.97 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.18 3i09 h GLU 240 CO 0.07 0.50 0.00 1.19 -0.73 0.00 0.00 179.01 180.03 3i09 n PHE 241 N -4.71 1.44 -1.47 0.92 3.72 -0.04 -4.92 117.46 112.39 3i09 n PHE 241 Ca 0.07 -0.52 -0.16 0.00 -0.05 0.00 0.00 57.45 56.78 3i09 n PHE 241 Cb 0.10 -0.34 -0.07 0.00 -0.94 0.00 0.00 39.48 38.22 3i09 n PHE 241 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3i09 n GLY 242 N 0.64 1.64 0.29 1.37 0.00 -0.94 -4.88 105.19 103.31 3i09 n GLY 242 Ca 0.21 -0.23 -0.01 0.00 0.00 0.00 0.00 46.02 45.99 3i09 n GLY 242 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3i09 h ILE 243 N 0.00 1.20 0.00 -0.61 1.08 -0.98 -2.12 117.51 116.08 3i09 h ILE 243 Ca -0.33 -0.70 0.00 0.00 -0.39 0.00 0.00 64.86 63.43 3i09 h ILE 243 Cb 1.07 0.74 0.00 0.00 -3.07 0.00 0.00 36.82 35.56 3i09 h ILE 243 CO 0.49 0.26 0.00 0.35 -0.69 0.00 0.00 178.15 178.56 3i09 n THR 244 N -4.31 0.90 0.21 -0.27 -2.24 -1.15 -1.91 114.28 105.52 3i09 n THR 244 Ca 0.03 0.22 0.07 0.00 -2.27 0.00 0.00 64.05 62.11 3i09 n THR 244 Cb 0.20 -1.02 0.47 0.00 -2.10 0.00 0.00 70.33 67.89 3i09 n THR 244 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3i09 h LYS 245 N 0.00 0.00 0.00 -0.78 1.57 -1.70 -3.44 116.57 112.22 3i09 h LYS 245 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3i09 h LYS 245 Cb 0.30 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.61 3i09 h LYS 245 CO 0.00 0.28 -0.23 0.25 -0.57 0.00 0.00 179.45 179.18 3i09 n THR 246 N -3.69 2.01 -5.05 -0.16 -2.24 -0.80 -5.20 114.28 99.14 3i09 n THR 246 Ca -0.01 -2.68 -0.28 0.00 -2.27 0.00 0.00 64.05 58.81 3i09 n THR 246 Cb 0.39 -0.23 -0.16 0.00 -2.10 0.00 0.00 70.33 68.24 3i09 n THR 246 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3i09 s LYS 248 N -3.00 1.74 0.00 -0.78 1.02 -0.35 -4.83 119.74 113.54 3i09 s LYS 248 Ca 0.34 -0.76 -0.22 0.00 0.02 0.00 0.00 55.97 55.36 3i09 s LYS 248 Cb 0.32 -1.68 -0.05 0.00 -0.52 0.00 0.00 37.83 35.90 3i09 s LYS 248 CO -0.02 0.45 0.64 -0.51 -0.92 0.00 0.00 175.35 175.00 3i09 s LEU 249 N -0.48 4.42 -0.40 3.17 1.43 -1.26 -0.98 118.68 124.58 3i09 s LEU 249 Ca 0.08 1.22 -0.07 0.00 -1.03 0.00 0.00 54.13 54.33 3i09 s LEU 249 Cb -0.08 -3.00 0.08 0.00 0.03 0.00 0.00 46.19 43.22 3i09 s LEU 249 CO -0.01 0.07 0.21 0.00 0.23 0.00 0.00 176.35 176.85 3i09 s ALA 250 N -0.08 3.19 -0.78 4.21 0.00 0.02 -4.85 121.76 123.48 3i09 s ALA 250 Ca 0.33 -2.19 -0.23 0.00 0.00 0.00 0.00 51.96 49.87 3i09 s ALA 250 Cb -0.19 -2.50 0.07 0.00 0.00 0.00 0.00 23.12 20.50 3i09 s ALA 250 CO 0.18 -1.63 1.14 0.00 0.00 0.00 0.00 175.76 175.45 3i09 s ALA 251 N 1.33 3.01 0.24 0.00 0.00 -1.26 -0.90 121.76 124.18 3i09 s ALA 251 Ca 0.03 -1.95 0.19 0.00 0.00 0.00 0.00 51.96 50.23 3i09 s ALA 251 Cb -0.23 -4.08 0.77 0.00 0.00 0.00 0.00 23.12 19.59 3i09 s ALA 251 CO 0.00 -3.05 1.79 -0.07 0.00 0.00 0.00 175.76 174.42 3i09 h LEU 252 N 11.79 0.00 -8.10 0.00 3.38 -1.86 -3.44 115.31 117.09 3i09 h LEU 252 Ca -0.14 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.62 3i09 h LEU 252 Cb 1.05 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 41.60 3i09 h LEU 252 CO 1.23 0.35 -0.71 -0.22 0.09 0.00 0.00 178.44 179.18 3i09 s LEU 253 N -7.28 2.28 0.25 1.67 2.96 -1.26 -4.76 118.68 112.54 3i09 s LEU 253 Ca -0.01 -0.59 -0.22 0.00 -0.22 0.00 0.00 54.13 53.10 3i09 s LEU 253 Cb 0.12 -0.00 0.04 0.00 0.50 0.00 0.00 46.19 46.84 3i09 s LEU 253 CO 0.68 -0.30 0.80 -0.36 -1.32 0.00 0.00 176.35 175.86 3i09 s PHE 255 N -1.75 -0.13 0.31 5.38 0.08 -1.26 -4.54 117.98 116.07 3i09 s PHE 255 Ca -0.10 -0.31 0.00 0.00 0.12 0.00 0.00 56.93 56.64 3i09 s PHE 255 Cb -0.08 0.70 0.52 0.00 -0.57 0.00 0.00 43.02 43.60 3i09 s PHE 255 CO -0.01 -1.15 1.94 0.97 -0.10 0.00 0.00 175.22 176.87 3i09 h ILE 256 N 2.00 1.13 -0.18 0.64 2.10 -1.97 -1.96 117.51 119.26 3i09 h ILE 256 Ca -0.22 -0.35 -0.03 0.00 1.08 0.00 0.00 64.86 65.33 3i09 h ILE 256 Cb 1.24 0.00 -0.01 0.00 -1.09 0.00 0.00 36.82 36.97 3i09 h ILE 256 CO 0.26 0.19 -0.03 0.78 -1.08 0.00 0.00 178.15 178.27 3i09 h ASN 257 N 1.03 0.25 -0.35 2.19 4.21 -1.95 -1.45 115.58 119.50 3i09 h ASN 257 Ca 0.34 -0.03 -0.10 0.00 1.21 0.00 0.00 56.30 57.71 3i09 h ASN 257 Cb 0.06 -0.06 -0.01 0.00 -1.12 0.00 0.00 38.32 37.19 3i09 h ASN 257 CO -0.10 0.32 -0.18 0.44 -1.29 0.00 0.00 177.43 176.62 3i09 h ASP 258 N 0.26 0.77 -0.54 5.81 3.32 -1.75 -1.22 116.42 123.07 3i09 h ASP 258 Ca 0.06 -0.41 0.00 0.00 0.02 0.00 0.00 57.03 56.70 3i09 h ASP 258 Cb 0.23 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 3i09 h ASP 258 CO 0.01 1.01 0.35 0.58 -1.72 0.00 0.00 179.24 179.46 3i09 h VAL 259 N 0.53 1.15 -0.91 -1.35 2.07 -1.23 -1.85 116.25 114.66 3i09 h VAL 259 Ca 0.08 -0.30 0.01 0.00 0.82 0.00 0.00 66.70 67.31 3i09 h VAL 259 Cb 0.72 0.38 -0.05 0.00 -1.52 0.00 0.00 31.29 30.82 3i09 h VAL 259 CO 0.05 0.15 0.60 -0.74 0.02 0.00 0.00 177.57 177.65 3i09 h HIS 260 N 0.73 1.16 -0.62 1.57 -0.00 -1.07 0.35 115.15 117.27 3i09 h HIS 260 Ca 0.20 0.02 -0.07 0.00 -0.00 0.00 0.00 60.37 60.52 3i09 h HIS 260 Cb -0.06 -0.39 -0.02 0.00 -0.00 0.00 0.00 27.41 26.94 3i09 h HIS 260 CO -0.03 0.73 0.12 0.00 -0.00 0.00 0.00 177.93 178.75 3i09 h ALA 261 N 1.33 0.82 0.11 5.26 0.00 -0.96 -3.23 119.26 122.59 3i09 h ALA 261 Ca 0.33 -0.25 -0.28 0.00 0.00 0.00 0.00 54.91 54.71 3i09 h ALA 261 Cb -0.13 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.42 3i09 h ALA 261 CO -0.07 0.56 -1.33 -0.07 0.00 0.00 0.00 179.25 178.34 3i09 h LEU 262 N 0.92 0.37 0.00 0.00 3.38 -1.06 -3.51 115.31 115.41 3i09 h LEU 262 Ca 0.19 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.73 3i09 h LEU 262 Cb 0.40 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3i09 h LEU 262 CO 0.01 1.35 0.00 0.61 0.09 0.00 0.00 178.44 180.50 3i09 n GLY 263 N 1.56 -0.25 0.19 0.83 0.00 0.09 -4.52 105.19 103.09 3i09 n GLY 263 Ca -0.11 -1.52 0.02 0.00 0.00 0.00 0.00 46.02 44.42 3i09 n GLY 263 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3i09 h LEU 264 N 0.00 0.04 -0.84 0.99 3.38 -1.90 -2.28 115.31 114.70 3i09 h LEU 264 Ca 0.00 -0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.04 3i09 h LEU 264 Cb 0.00 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 40.67 3i09 h LEU 264 CO 0.00 0.41 0.50 -0.08 0.09 0.00 0.00 178.44 179.36 3i09 h GLU 265 N 0.04 0.85 0.19 1.13 4.57 -1.88 0.57 114.58 120.04 3i09 h GLU 265 Ca 0.00 -0.05 -0.32 0.00 -1.18 0.00 0.00 59.36 57.81 3i09 h GLU 265 Cb 0.67 -0.19 0.03 0.00 -0.16 0.00 0.00 28.75 29.10 3i09 h GLU 265 CO 0.05 0.56 -1.36 1.15 -1.18 0.00 0.00 179.01 178.23 3i09 h THR 266 N 0.87 1.30 -0.00 0.32 2.02 -1.74 -3.37 112.91 112.32 3i09 h THR 266 Ca 0.39 -2.64 0.00 0.00 0.77 0.00 0.00 66.41 64.93 3i09 h THR 266 Cb 0.28 2.89 0.00 0.00 -1.74 0.00 0.00 68.15 69.58 3i09 h THR 266 CO -0.21 0.79 -0.68 0.35 0.37 0.00 0.00 175.52 176.14 3i09 n THR 267 N -3.73 0.00 -1.56 3.16 -2.24 -0.88 -4.97 114.28 104.06 3i09 n THR 267 Ca -0.15 -0.04 -0.51 0.00 -2.27 0.00 0.00 64.05 61.07 3i09 n THR 267 Cb 1.05 0.69 -0.05 0.00 -2.10 0.00 0.00 70.33 69.92 3i09 n THR 267 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i09 n GLN 268 N -1.24 0.95 0.00 -0.78 10.64 0.18 -1.85 117.38 125.28 3i09 n GLN 268 Ca 0.06 0.34 0.00 0.00 -1.83 0.00 0.00 57.00 55.57 3i09 n GLN 268 Cb 0.35 -1.88 0.00 0.00 -0.86 0.00 0.00 30.24 27.85 3i09 n GLN 268 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3i09 n GLY 269 N 2.15 1.92 3.77 2.61 0.00 -0.13 -4.97 105.19 110.54 3i09 n GLY 269 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3i09 n GLY 269 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i09 s LEU 270 N 0.00 4.32 -0.17 0.99 1.43 -0.77 -4.67 118.68 119.80 3i09 s LEU 270 Ca 0.00 2.89 -0.08 0.00 -1.03 0.00 0.00 54.13 55.91 3i09 s LEU 270 Cb 0.00 -3.71 -0.04 0.00 0.03 0.00 0.00 46.19 42.47 3i09 s LEU 270 CO 0.00 -0.80 0.10 -0.69 0.23 0.00 0.00 176.35 175.19 3i09 s VAL 271 N -1.15 5.11 0.14 -1.59 1.01 -1.26 -0.57 120.40 122.09 3i09 s VAL 271 Ca 0.53 0.08 -0.02 0.00 0.00 0.00 0.00 61.98 62.56 3i09 s VAL 271 Cb -0.43 -3.30 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 3i09 s VAL 271 CO 0.58 0.48 0.10 -1.48 0.00 0.00 0.00 175.10 174.79 3i09 s LEU 272 N 0.08 1.60 -0.12 3.92 0.05 -1.26 -4.45 118.68 118.50 3i09 s LEU 272 Ca 0.07 -1.15 0.02 0.00 0.05 0.00 0.00 54.13 53.12 3i09 s LEU 272 Cb -0.12 0.47 -0.00 0.00 -2.05 0.00 0.00 46.19 44.49 3i09 s LEU 272 CO -0.00 -0.76 -0.19 -0.89 -0.55 0.00 0.00 176.35 173.95 3i09 s THR 273 N -4.04 2.42 0.13 5.48 2.01 -1.26 -4.28 115.64 116.10 3i09 s THR 273 Ca 0.23 -0.88 -0.05 0.00 0.31 0.00 0.00 61.69 61.30 3i09 s THR 273 Cb 0.07 -1.97 -0.02 0.00 0.01 0.00 0.00 72.50 70.58 3i09 s THR 273 CO 0.02 0.54 0.16 -0.62 -0.69 0.00 0.00 174.62 174.03 3i09 s ASP 274 N 0.48 0.19 0.03 3.53 -1.08 -0.59 -4.95 116.67 114.29 3i09 s ASP 274 Ca -0.13 -1.00 0.23 0.00 -0.52 0.00 0.00 52.55 51.13 3i09 s ASP 274 Cb -0.17 0.35 0.03 0.00 -1.46 0.00 0.00 42.92 41.67 3i09 s ASP 274 CO 0.05 -0.79 1.01 -1.54 0.52 0.00 0.00 175.17 174.43 3i09 n SER 275 N -0.13 0.63 -3.54 -0.34 3.41 -1.26 -0.62 113.62 111.77 3i09 n SER 275 Ca -0.08 -0.31 -0.11 0.00 -0.26 0.00 0.00 58.87 58.11 3i09 n SER 275 Cb 0.63 0.84 -0.04 0.00 -0.26 0.00 0.00 64.21 65.38 3i09 n SER 275 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 3i09 s TRP 276 N -3.17 -0.42 -0.10 7.33 -0.00 -1.26 -4.83 118.94 116.50 3i09 s TRP 276 Ca 0.04 0.57 -0.08 0.00 -0.00 0.00 0.00 56.10 56.63 3i09 s TRP 276 Cb 0.15 0.48 0.03 0.00 -0.00 0.00 0.00 33.47 34.12 3i09 s TRP 276 CO 0.81 -0.47 0.25 -0.47 -0.00 0.00 0.00 176.95 177.07 3i09 s TYR 277 N -1.88 -0.28 0.44 5.86 6.04 -1.26 -4.52 117.35 121.75 3i09 s TYR 277 Ca -0.01 0.69 0.11 0.00 0.04 0.00 0.00 57.07 57.90 3i09 s TYR 277 Cb -0.01 0.09 0.97 0.00 -1.04 0.00 0.00 41.96 41.97 3i09 s TYR 277 CO -0.01 -0.15 2.03 0.11 -1.54 0.00 0.00 175.55 176.00 3i09 h TRP 278 N 5.97 0.23 -0.45 4.97 5.08 -1.90 -2.69 115.95 127.17 3i09 h TRP 278 Ca -0.28 -0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.68 3i09 h TRP 278 Cb 1.19 -0.07 0.00 0.00 -3.00 0.00 0.00 29.16 27.28 3i09 h TRP 278 CO 0.40 0.23 0.00 -1.71 -1.28 0.00 0.00 178.44 176.07 3i09 n ASN 279 N -4.42 3.60 0.15 0.11 5.15 -1.26 -2.30 115.26 116.30 3i09 n ASN 279 Ca -0.01 -2.36 -0.14 0.00 -0.60 0.00 0.00 54.58 51.48 3i09 n ASN 279 Cb 0.15 -0.50 -0.07 0.00 -0.53 0.00 0.00 39.78 38.83 3i09 n ASN 279 CO 0.00 0.00 0.00 -0.09 1.40 0.00 0.00 177.26 178.57 3i09 h ARG 280 N 2.87 -0.30 0.00 1.20 2.43 -1.85 -3.48 114.38 115.24 3i09 h ARG 280 Ca 0.00 0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.13 3i09 h ARG 280 Cb 1.16 0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.77 3i09 h ARG 280 CO 0.19 -0.20 0.14 -0.40 -1.51 0.00 0.00 179.97 178.20 3i09 n ASP 281 N -5.23 -1.61 -0.31 -3.80 5.68 -1.26 -5.02 116.55 105.00 3i09 n ASP 281 Ca -0.09 -2.26 -0.04 0.00 -0.50 0.00 0.00 54.79 51.90 3i09 n ASP 281 Cb 0.15 2.72 0.08 0.00 -1.14 0.00 0.00 41.12 42.93 3i09 n ASP 281 CO 0.00 0.00 0.00 -0.61 -1.33 0.00 0.00 177.20 175.26 3i09 h GLN 282 N 0.00 1.13 -0.58 0.11 4.15 -1.94 -0.94 115.11 117.04 3i09 h GLN 282 Ca -0.25 -0.09 -0.05 0.00 0.77 0.00 0.00 58.65 59.04 3i09 h GLN 282 Cb 0.94 -0.24 -0.02 0.00 0.21 0.00 0.00 27.48 28.36 3i09 h GLN 282 CO 0.32 0.77 0.18 0.00 -1.93 0.00 0.00 178.83 178.16 3i09 h ALA 283 N 1.29 0.75 -0.41 3.38 0.00 -1.96 0.82 119.26 123.14 3i09 h ALA 283 Ca 0.30 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 3i09 h ALA 283 Cb -0.08 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 3i09 h ALA 283 CO -0.06 0.42 0.02 0.66 0.00 0.00 0.00 179.25 180.29 3i09 h SER 284 N 0.81 0.70 -0.52 0.00 4.64 -1.72 -2.33 113.55 115.13 3i09 h SER 284 Ca 0.19 -0.30 -0.02 0.00 -0.47 0.00 0.00 61.79 61.19 3i09 h SER 284 Cb 0.29 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.17 3i09 h SER 284 CO -0.01 0.82 0.25 0.03 -0.87 0.00 0.00 176.83 177.05 3i09 h ARG 285 N 0.55 0.74 -0.48 4.77 3.08 -0.75 -1.05 114.38 121.24 3i09 h ARG 285 Ca 0.12 -0.11 -0.11 0.00 0.07 0.00 0.00 59.98 59.95 3i09 h ARG 285 Cb 0.45 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.35 3i09 h ARG 285 CO 0.02 0.61 -0.14 1.96 -1.07 0.00 0.00 179.97 181.35 3i09 h GLN 286 N 0.69 0.91 -0.54 0.04 4.20 -0.79 -0.67 115.11 118.96 3i09 h GLN 286 Ca 0.18 -0.34 -0.05 0.00 0.06 0.00 0.00 58.65 58.50 3i09 h GLN 286 Cb 0.11 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 27.81 3i09 h GLN 286 CO -0.02 0.99 0.14 2.35 -0.67 0.00 0.00 178.83 181.62 3i09 h TRP 287 N 0.81 0.89 -0.14 2.96 7.01 -1.28 -2.83 115.95 123.37 3i09 h TRP 287 Ca 0.12 -0.10 -0.05 0.00 2.11 0.00 0.00 58.89 60.97 3i09 h TRP 287 Cb 0.68 -0.25 -0.01 0.00 -2.10 0.00 0.00 29.16 27.47 3i09 h TRP 287 CO 0.04 0.77 -0.15 0.00 -2.79 0.00 0.00 178.44 176.31 3i09 h ALA 288 N 1.02 1.49 -0.77 2.65 0.00 -0.88 -1.22 119.26 121.54 3i09 h ALA 288 Ca 0.17 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 3i09 h ALA 288 Cb 0.32 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 3i09 h ALA 288 CO -0.00 0.36 0.33 1.96 0.00 0.00 0.00 179.25 181.90 3i09 h GLN 289 N 0.21 1.14 -0.49 0.00 4.20 -0.90 0.17 115.11 119.44 3i09 h GLN 289 Ca 0.04 -0.19 -0.12 0.00 0.06 0.00 0.00 58.65 58.45 3i09 h GLN 289 Cb 0.40 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 27.97 3i09 h GLN 289 CO 0.02 0.90 -0.16 0.00 -0.67 0.00 0.00 178.83 178.93 3i09 h ARG 290 N 1.12 0.95 -0.21 1.46 3.08 -1.04 -0.69 114.38 119.04 3i09 h ARG 290 Ca 0.26 -0.37 -0.02 0.00 0.07 0.00 0.00 59.98 59.93 3i09 h ARG 290 Cb 0.17 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 3i09 h ARG 290 CO -0.03 1.03 0.07 -0.92 -1.07 0.00 0.00 179.97 179.05 3i09 h TYR 291 N 0.83 0.34 -0.64 3.04 5.03 -1.02 -3.10 116.97 121.45 3i09 h TYR 291 Ca 0.12 -0.03 -0.05 0.00 2.58 0.00 0.00 58.73 61.35 3i09 h TYR 291 Cb 0.71 -0.10 -0.03 0.00 1.55 0.00 0.00 36.73 38.86 3i09 h TYR 291 CO 0.04 0.41 0.21 0.35 -1.32 0.00 0.00 178.16 177.85 3i09 h PHE 292 N 0.17 0.99 -0.70 -3.82 3.04 -0.53 -1.67 116.94 114.43 3i09 h PHE 292 Ca 0.07 -0.08 0.16 0.00 3.98 0.00 0.00 57.97 62.10 3i09 h PHE 292 Cb 0.23 -0.29 -0.04 0.00 2.56 0.00 0.00 35.95 38.40 3i09 h PHE 292 CO 0.00 0.79 0.48 0.00 -2.02 0.00 0.00 178.31 177.56 3i09 h ALA 293 N 1.28 2.32 -0.14 2.41 0.00 -1.05 0.16 119.26 124.25 3i09 h ALA 293 Ca 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3i09 h ALA 293 Cb 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3i09 h ALA 293 CO -0.01 -0.52 0.00 1.63 0.00 0.00 0.00 179.25 180.35 3i09 n LYS 294 N -4.43 1.82 0.00 0.00 4.76 -0.63 -5.12 118.16 114.57 3i09 n LYS 294 Ca 0.13 -1.22 0.00 0.00 -2.87 0.00 0.00 58.31 54.35 3i09 n LYS 294 Cb 0.61 -1.43 0.00 0.00 -1.84 0.00 0.00 35.03 32.36 3i09 n LYS 294 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3i09 n LYS 296 N 0.45 0.00 0.00 1.97 4.76 0.55 -5.14 118.16 120.76 3i09 n LYS 296 Ca 0.17 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.61 3i09 n LYS 296 Cb 0.38 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.57 3i09 n LYS 296 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3i09 n LYS 297 N 0.00 0.00 -4.77 1.97 5.02 -1.26 -5.07 118.16 114.04 3i09 n LYS 297 Ca 0.00 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 55.98 3i09 n LYS 297 Cb 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 35.03 34.87 3i09 n LYS 297 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3i09 s PRO 299 N 3.01 1.95 0.90 1.97 0.04 -1.26 -4.12 135.00 137.50 3i09 s PRO 299 Ca 0.00 -1.04 -0.12 0.00 0.04 0.00 0.00 61.00 59.88 3i09 s PRO 299 Cb 0.00 -2.10 0.13 0.00 0.04 0.00 0.00 34.50 32.58 3i09 s PRO 299 CO 0.00 0.53 1.14 -1.54 0.04 0.00 0.00 177.00 177.17 3i09 s SER 300 N -1.34 3.61 0.49 6.66 1.04 -1.26 -4.68 113.70 118.22 3i09 s SER 300 Ca 0.13 0.97 0.17 0.00 0.48 0.00 0.00 55.95 57.71 3i09 s SER 300 Cb -0.10 -1.55 1.19 0.00 0.10 0.00 0.00 66.02 65.65 3i09 s SER 300 CO 0.04 -2.49 2.07 0.77 0.98 0.00 0.00 173.24 174.60 3i09 h SER 301 N -1.45 0.00 -0.25 7.02 4.64 -1.89 -1.72 113.55 119.89 3i09 h SER 301 Ca -0.50 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 60.62 3i09 h SER 301 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 3i09 h SER 301 CO 0.62 0.11 -0.61 -0.07 -0.87 0.00 0.00 176.83 176.01 3i09 h LEU 302 N 0.00 0.98 -0.70 5.97 3.38 -1.93 -0.66 115.31 122.34 3i09 h LEU 302 Ca -0.00 -0.55 -0.11 0.00 0.09 0.00 0.00 57.88 57.31 3i09 h LEU 302 Cb 0.21 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3i09 h LEU 302 CO 0.01 1.36 -0.15 1.56 0.09 0.00 0.00 178.44 181.31 3i09 h GLN 303 N 0.64 0.84 -0.26 1.13 4.20 -1.63 0.03 115.11 120.07 3i09 h GLN 303 Ca -0.00 -0.31 -0.01 0.00 0.06 0.00 0.00 58.65 58.39 3i09 h GLN 303 Cb 1.23 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.94 3i09 h GLN 303 CO 0.13 0.94 0.12 0.00 -0.67 0.00 0.00 178.83 179.35 3i09 h ALA 304 N 1.08 0.33 -0.32 3.87 0.00 -1.31 -2.92 119.26 119.99 3i09 h ALA 304 Ca 0.12 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 3i09 h ALA 304 Cb 0.66 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3i09 h ALA 304 CO 0.05 -0.11 -0.11 0.00 0.00 0.00 0.00 179.25 179.08 3i09 h ALA 305 N 0.98 1.22 -0.27 0.00 0.00 -0.85 -1.80 119.26 118.54 3i09 h ALA 305 Ca 0.09 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 54.75 3i09 h ALA 305 Cb 0.12 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3i09 h ALA 305 CO -0.01 0.51 0.10 -0.44 0.00 0.00 0.00 179.25 179.40 3i09 h ASP 306 N 0.50 0.11 0.02 0.00 3.32 -0.87 0.11 116.42 119.61 3i09 h ASP 306 Ca 0.09 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 3i09 h ASP 306 Cb 0.50 0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.06 3i09 h ASP 306 CO 0.03 0.10 -0.01 0.22 -1.72 0.00 0.00 179.24 177.86 3i09 h TYR 307 N 0.22 -0.02 -0.63 4.55 5.03 -1.30 -2.91 116.97 121.91 3i09 h TYR 307 Ca 0.12 -0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.41 3i09 h TYR 307 Cb 0.08 0.01 -0.03 0.00 1.55 0.00 0.00 36.73 38.34 3i09 h TYR 307 CO -0.12 0.02 0.34 1.03 -1.32 0.00 0.00 178.16 178.11 3i09 h SER 308 N -0.06 0.79 -0.52 -2.11 0.87 -1.03 -2.14 113.55 109.35 3i09 h SER 308 Ca -0.00 -0.10 -0.04 0.00 -1.23 0.00 0.00 61.79 60.42 3i09 h SER 308 Cb 0.05 -0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 61.78 3i09 h SER 308 CO 0.00 0.66 0.19 0.77 -0.53 0.00 0.00 176.83 177.92 3i09 h SER 309 N 0.86 0.78 -0.28 6.23 4.64 -0.76 -0.23 113.55 124.79 3i09 h SER 309 Ca 0.22 -0.12 -0.04 0.00 -0.47 0.00 0.00 61.79 61.38 3i09 h SER 309 Cb 0.05 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 61.93 3i09 h SER 309 CO -0.03 0.73 0.01 0.58 -0.87 0.00 0.00 176.83 177.25 3i09 h VAL 310 N 0.83 1.25 -0.53 0.95 2.07 -1.26 0.13 116.25 119.69 3i09 h VAL 310 Ca 0.19 -0.90 0.06 0.00 0.82 0.00 0.00 66.70 66.87 3i09 h VAL 310 Cb 0.23 1.29 -0.05 0.00 -1.52 0.00 0.00 31.29 31.23 3i09 h VAL 310 CO -0.01 0.29 0.23 0.74 0.02 0.00 0.00 177.57 178.84 3i09 h THR 311 N 0.28 0.89 -0.27 2.57 2.02 -0.91 0.62 112.91 118.10 3i09 h THR 311 Ca 0.08 -0.15 -0.00 0.00 0.77 0.00 0.00 66.41 67.10 3i09 h THR 311 Cb 0.41 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 3i09 h THR 311 CO 0.01 0.08 0.16 0.74 0.37 0.00 0.00 175.52 176.89 3i09 h THR 312 N 0.45 1.11 -0.10 3.16 2.02 -0.84 0.08 112.91 118.78 3i09 h THR 312 Ca 0.24 -0.26 0.03 0.00 0.77 0.00 0.00 66.41 67.20 3i09 h THR 312 Cb 0.21 0.78 -0.03 0.00 -1.74 0.00 0.00 68.15 67.37 3i09 h THR 312 CO -0.21 0.10 -0.10 0.22 0.37 0.00 0.00 175.52 175.90 3i09 h TYR 313 N 0.34 -0.25 -0.41 3.16 3.20 -0.66 -1.92 116.97 120.44 3i09 h TYR 313 Ca 0.10 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.92 3i09 h TYR 313 Cb 0.03 0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.40 3i09 h TYR 313 CO -0.04 -0.16 -0.00 -0.07 -1.64 0.00 0.00 178.16 176.25 3i09 h LEU 314 N -0.13 0.62 -0.99 2.82 3.38 -0.55 -0.52 115.31 119.94 3i09 h LEU 314 Ca 0.07 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 3i09 h LEU 314 Cb 0.23 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3i09 h LEU 314 CO -0.18 0.69 -0.13 0.11 0.09 0.00 0.00 178.44 179.02 3i09 h LYS 315 N 0.62 0.57 -0.33 1.13 1.57 -0.87 -1.69 116.57 117.58 3i09 h LYS 315 Ca 0.13 -0.18 -0.10 0.00 -1.87 0.00 0.00 60.65 58.63 3i09 h LYS 315 Cb 0.39 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 3i09 h LYS 315 CO 0.01 0.69 -0.19 0.00 -0.57 0.00 0.00 179.45 179.40 3i09 h ALA 316 N 1.33 0.47 -0.57 3.86 0.00 -0.40 -0.32 119.26 123.63 3i09 h ALA 316 Ca 0.09 -0.36 0.02 0.00 0.00 0.00 0.00 54.91 54.67 3i09 h ALA 316 Cb 0.54 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 3i09 h ALA 316 CO 0.03 0.41 0.36 0.28 0.00 0.00 0.00 179.25 180.33 3i09 h VAL 317 N 0.48 1.09 -0.25 0.00 2.07 -1.06 0.31 116.25 118.89 3i09 h VAL 317 Ca 0.07 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.35 3i09 h VAL 317 Cb 0.73 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 3i09 h VAL 317 CO 0.05 0.13 0.16 -0.61 0.02 0.00 0.00 177.57 177.33 3i09 h GLN 318 N 0.71 0.32 -0.54 1.57 4.15 -1.24 0.11 115.11 120.19 3i09 h GLN 318 Ca 0.22 -0.02 -0.12 0.00 0.77 0.00 0.00 58.65 59.50 3i09 h GLN 318 Cb -0.02 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.58 3i09 h GLN 318 CO -0.08 0.21 -0.12 0.00 -1.93 0.00 0.00 178.83 176.91 3i09 h ALA 319 N 1.10 0.74 0.00 3.38 0.00 -0.65 -2.71 119.26 121.12 3i09 h ALA 319 Ca 0.09 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 3i09 h ALA 319 Cb -0.03 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 3i09 h ALA 319 CO -0.03 0.67 -0.08 0.00 0.00 0.00 0.00 179.25 179.81 3i09 h ALA 320 N 0.92 1.02 -3.24 0.00 0.00 -0.24 -3.47 119.26 114.25 3i09 h ALA 320 Ca 0.14 -0.07 -0.36 0.00 0.00 0.00 0.00 54.91 54.62 3i09 h ALA 320 Cb 0.70 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 3i09 h ALA 320 CO 0.05 0.10 -0.46 0.41 0.00 0.00 0.00 179.25 179.35 3i09 n GLY 321 N 0.03 -0.45 3.55 0.00 0.00 0.35 -4.96 105.19 103.71 3i09 n GLY 321 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 3i09 n GLY 321 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i09 s SER 322 N -2.05 -0.39 0.00 1.61 0.15 -0.98 -5.02 113.70 107.02 3i09 s SER 322 Ca 0.00 0.29 0.26 0.00 0.70 0.00 0.00 55.95 57.20 3i09 s SER 322 Cb 0.00 0.35 0.61 0.00 -1.71 0.00 0.00 66.02 65.26 3i09 s SER 322 CO 0.00 -0.46 1.49 0.35 1.20 0.00 0.00 173.24 175.82 3i09 n THR 323 N 0.40 0.00 -1.64 6.45 -2.24 -1.26 -4.54 114.28 111.46 3i09 n THR 323 Ca -0.10 -0.33 -0.51 0.00 -2.27 0.00 0.00 64.05 60.84 3i09 n THR 323 Cb 0.59 0.93 -0.06 0.00 -2.10 0.00 0.00 70.33 69.69 3i09 n THR 323 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3i09 n ASP 324 N 0.51 2.28 -0.21 3.42 2.03 -1.26 -4.80 116.55 118.52 3i09 n ASP 324 Ca 0.16 1.09 -0.06 0.00 0.52 0.00 0.00 54.79 56.50 3i09 n ASP 324 Cb 0.46 -1.26 0.09 0.00 -0.72 0.00 0.00 41.12 39.69 3i09 n ASP 324 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 3i09 h SER 325 N 5.68 0.98 -0.58 1.67 4.64 -1.94 -0.28 113.55 123.72 3i09 h SER 325 Ca -0.47 -0.21 -0.10 0.00 -0.47 0.00 0.00 61.79 60.54 3i09 h SER 325 Cb 1.31 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 63.12 3i09 h SER 325 CO 0.85 0.96 -0.03 0.44 -0.87 0.00 0.00 176.83 178.17 3i09 h ASP 326 N 0.98 1.04 -0.49 4.97 3.32 -1.89 -3.10 116.42 121.26 3i09 h ASP 326 Ca 0.20 -0.32 -0.09 0.00 0.02 0.00 0.00 57.03 56.85 3i09 h ASP 326 Cb 0.38 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 3i09 h ASP 326 CO 0.00 1.11 -0.02 0.11 -1.72 0.00 0.00 179.24 178.72 3i09 h LYS 327 N 0.94 0.93 -1.21 3.56 1.57 -1.76 -1.78 116.57 118.82 3i09 h LYS 327 Ca 0.16 -0.28 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 3i09 h LYS 327 Cb 0.59 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.81 3i09 h LYS 327 CO 0.04 0.93 0.00 0.28 -0.57 0.00 0.00 179.45 180.13 3i09 n VAL 328 N -4.19 0.40 0.00 0.50 0.31 -0.18 -1.89 118.33 113.29 3i09 n VAL 328 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 3i09 n VAL 328 Cb 0.34 -0.64 0.00 0.00 -0.91 0.00 0.00 33.84 32.63 3i09 n VAL 328 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i09 n ALA 330 N 0.59 0.00 -0.18 3.52 0.00 -0.67 -0.34 120.51 123.43 3i09 n ALA 330 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 3i09 n ALA 330 Cb 0.24 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.70 3i09 n ALA 330 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3i09 h GLN 331 N 0.00 0.74 -0.95 0.00 1.08 -1.65 -2.53 115.11 111.81 3i09 h GLN 331 Ca 0.00 -0.11 0.12 0.00 -1.45 0.00 0.00 58.65 57.20 3i09 h GLN 331 Cb 0.00 -0.13 -0.08 0.00 -0.05 0.00 0.00 27.48 27.22 3i09 h GLN 331 CO 0.00 0.63 0.61 -0.07 -0.95 0.00 0.00 178.83 179.04 3i09 h LEU 332 N 0.68 0.84 -1.17 1.46 3.38 -0.97 -1.40 115.31 118.13 3i09 h LEU 332 Ca 0.18 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3i09 h LEU 332 Cb 0.13 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3i09 h LEU 332 CO -0.02 0.46 0.00 0.29 0.09 0.00 0.00 178.44 179.26 3i09 n LYS 333 N -4.58 1.78 -0.50 1.13 5.02 -1.10 -4.29 118.16 115.63 3i09 n LYS 333 Ca 0.18 -1.16 0.08 0.00 -2.02 0.00 0.00 58.31 55.39 3i09 n LYS 333 Cb 0.36 -1.42 0.30 0.00 -0.02 0.00 0.00 35.03 34.25 3i09 n LYS 333 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3i09 n LYS 334 N 0.39 3.43 -4.35 1.97 4.81 -0.53 -4.83 118.16 119.05 3i09 n LYS 334 Ca 0.17 -2.72 -0.27 0.00 -0.87 0.00 0.00 58.31 54.62 3i09 n LYS 334 Cb 0.35 -1.77 -0.13 0.00 0.02 0.00 0.00 35.03 33.51 3i09 n LYS 334 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 3i09 s LYS 336 N -1.90 1.29 -0.17 1.64 1.02 -1.26 -5.07 119.74 115.28 3i09 s LYS 336 Ca 0.44 -1.28 -0.08 0.00 0.02 0.00 0.00 55.97 55.06 3i09 s LYS 336 Cb 0.29 -1.66 -0.04 0.00 -0.52 0.00 0.00 37.83 35.89 3i09 s LYS 336 CO 0.19 0.39 0.10 0.42 -0.92 0.00 0.00 175.35 175.53 3i09 s ILE 337 N -1.17 5.15 -0.32 2.17 1.01 0.95 -4.98 121.20 124.02 3i09 s ILE 337 Ca 0.11 0.09 0.02 0.00 0.00 0.00 0.00 60.65 60.88 3i09 s ILE 337 Cb -0.10 -3.31 0.16 0.00 0.01 0.00 0.00 42.46 39.22 3i09 s ILE 337 CO 0.05 0.50 0.40 -0.62 0.00 0.00 0.00 174.94 175.28 3i09 s ASP 338 N -0.04 0.61 0.05 3.58 -1.08 -1.25 -1.05 116.67 117.50 3i09 s ASP 338 Ca 0.08 -0.72 -0.00 0.00 -0.52 0.00 0.00 52.55 51.39 3i09 s ASP 338 Cb -0.12 0.96 0.00 0.00 -1.46 0.00 0.00 42.92 42.31 3i09 s ASP 338 CO 0.00 -0.33 0.07 -0.90 0.52 0.00 0.00 175.17 174.54 3i09 n ASP 339 N 5.05 -0.20 0.32 -0.34 5.68 -0.42 -5.00 116.55 121.63 3i09 n ASP 339 Ca 0.03 -1.30 0.20 0.00 -0.50 0.00 0.00 54.79 53.22 3i09 n ASP 339 Cb 0.49 0.38 1.05 0.00 -1.14 0.00 0.00 41.12 41.89 3i09 n ASP 339 CO 0.00 0.00 0.00 2.19 -1.33 0.00 0.00 177.20 178.06 3i09 h PHE 340 N 1.16 0.00 0.00 2.11 -0.00 -2.01 -3.04 116.94 115.16 3i09 h PHE 340 Ca -0.04 0.00 -0.05 0.00 -0.00 0.00 0.00 57.97 57.88 3i09 h PHE 340 Cb 0.18 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 36.13 3i09 h PHE 340 CO 0.00 0.01 -0.32 -0.92 -0.00 0.00 0.00 178.31 177.08 3i09 h TYR 341 N 0.00 0.00 -2.95 6.09 3.20 -1.94 -3.40 116.97 117.97 3i09 h TYR 341 Ca -0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3i09 h TYR 341 Cb 0.11 0.00 -0.11 0.00 1.54 0.00 0.00 36.73 38.27 3i09 h TYR 341 CO 0.00 0.88 0.23 0.00 -1.64 0.00 0.00 178.16 177.63 3i09 s ALA 342 N -2.34 -1.56 -0.13 1.82 0.00 -1.15 -4.91 121.76 113.49 3i09 s ALA 342 Ca -0.18 0.41 -0.04 0.00 0.00 0.00 0.00 51.96 52.15 3i09 s ALA 342 Cb -0.00 0.85 -0.03 0.00 0.00 0.00 0.00 23.12 23.94 3i09 s ALA 342 CO 0.52 -0.80 0.00 0.15 0.00 0.00 0.00 175.76 175.63 3i09 s LYS 343 N -3.73 3.43 0.00 0.00 1.02 -1.26 -1.31 119.74 117.89 3i09 s LYS 343 Ca 0.03 -0.43 0.00 0.00 0.02 0.00 0.00 55.97 55.59 3i09 s LYS 343 Cb -0.02 -2.93 0.00 0.00 -0.52 0.00 0.00 37.83 34.36 3i09 s LYS 343 CO -0.10 0.46 0.00 0.41 -0.92 0.00 0.00 175.35 175.20 3i09 n GLY 344 N 2.89 -0.60 3.43 -3.33 0.00 -0.21 -4.46 105.19 102.90 3i09 n GLY 344 Ca -0.18 -0.59 -0.10 0.00 0.00 0.00 0.00 46.02 45.16 3i09 n GLY 344 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3i09 s TYR 345 N -3.24 0.15 -0.30 1.61 1.13 -1.04 -0.03 117.35 115.63 3i09 s TYR 345 Ca 0.00 -0.51 -0.10 0.00 -1.41 0.00 0.00 57.07 55.05 3i09 s TYR 345 Cb 0.00 0.16 -0.02 0.00 -1.10 0.00 0.00 41.96 41.00 3i09 s TYR 345 CO 0.00 -0.81 0.16 0.42 -2.51 0.00 0.00 175.55 172.81 3i09 s ILE 346 N -3.92 4.81 0.68 -3.49 1.01 -1.26 -0.30 121.20 118.73 3i09 s ILE 346 Ca 0.13 -0.24 -0.08 0.00 0.00 0.00 0.00 60.65 60.47 3i09 s ILE 346 Cb 0.01 -3.39 0.04 0.00 0.01 0.00 0.00 42.46 39.13 3i09 s ILE 346 CO -0.01 0.13 1.01 -0.60 0.00 0.00 0.00 174.94 175.46 3i09 s ARG 347 N 1.66 2.47 0.28 2.79 3.52 -0.33 -4.51 118.95 124.83 3i09 s ARG 347 Ca 0.06 -0.05 0.01 0.00 -0.13 0.00 0.00 55.73 55.61 3i09 s ARG 347 Cb -0.17 -2.16 0.65 0.00 -1.56 0.00 0.00 34.95 31.72 3i09 s ARG 347 CO 0.07 -1.09 1.67 1.15 -0.81 0.00 0.00 175.30 176.29 3i09 h THR 348 N -0.53 0.42 0.00 4.11 2.02 -1.94 -0.71 112.91 116.28 3i09 h THR 348 Ca -0.45 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 66.63 3i09 h THR 348 Cb 1.29 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.81 3i09 h THR 348 CO 0.61 0.05 0.00 -0.90 0.37 0.00 0.00 175.52 175.66 3i09 n ASP 349 N -5.15 0.00 0.00 4.18 5.75 -1.26 -4.86 116.55 115.21 3i09 n ASP 349 Ca 0.20 0.11 0.00 0.00 -0.01 0.00 0.00 54.79 55.08 3i09 n ASP 349 Cb 0.61 -0.33 0.00 0.00 -1.03 0.00 0.00 41.12 40.37 3i09 n ASP 349 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3i09 n GLY 350 N 0.39 0.27 0.00 6.12 0.00 -0.27 -4.58 105.19 107.12 3i09 n GLY 350 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3i09 n GLY 350 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3i09 n SER 351 N 0.00 0.00 -3.53 1.61 7.64 -1.26 -0.61 113.62 117.47 3i09 n SER 351 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3i09 n SER 351 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 3i09 n SER 351 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3i09 s ILE 353 N 0.00 -0.83 0.05 0.44 -1.09 0.59 -1.19 121.20 119.17 3i09 s ILE 353 Ca 0.00 0.00 -0.16 0.00 -2.23 0.00 0.00 60.65 58.26 3i09 s ILE 353 Cb 0.00 -1.00 0.03 0.00 -1.58 0.00 0.00 42.46 39.91 3i09 s ILE 353 CO 0.00 0.00 0.37 -1.38 -1.23 0.00 0.00 174.94 172.70 3i09 s HIS 354 N 2.76 -0.19 0.66 3.97 -3.43 -1.26 -2.49 115.29 115.31 3i09 s HIS 354 Ca -0.03 0.07 -0.11 0.00 -0.80 0.00 0.00 55.06 54.19 3i09 s HIS 354 Cb -0.10 0.17 0.16 0.00 -1.43 0.00 0.00 32.58 31.38 3i09 s HIS 354 CO -0.18 -0.56 0.37 -0.25 -2.00 0.00 0.00 174.74 172.11 3i09 n ASP 355 N 0.43 -2.82 -3.66 7.38 8.00 -1.26 -3.88 116.55 120.74 3i09 n ASP 355 Ca -0.18 -0.37 -0.09 0.00 0.71 0.00 0.00 54.79 54.85 3i09 n ASP 355 Cb 0.60 -0.45 -0.08 0.00 -0.02 0.00 0.00 41.12 41.16 3i09 n ASP 355 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3i09 s TYR 357 N -1.46 -0.84 0.34 1.24 2.02 0.21 -4.87 117.35 113.99 3i09 s TYR 357 Ca 0.29 1.76 -0.02 0.00 -0.37 0.00 0.00 57.07 58.72 3i09 s TYR 357 Cb -0.05 0.44 -0.04 0.00 -0.40 0.00 0.00 41.96 41.91 3i09 s TYR 357 CO 0.24 -0.43 0.58 -1.17 -1.57 0.00 0.00 175.55 173.20 3i09 s LEU 358 N 1.31 3.98 -0.18 -1.29 2.96 0.03 -1.54 118.68 123.94 3i09 s LEU 358 Ca -0.08 0.62 -0.12 0.00 -0.22 0.00 0.00 54.13 54.33 3i09 s LEU 358 Cb -0.06 -3.48 0.05 0.00 0.50 0.00 0.00 46.19 43.21 3i09 s LEU 358 CO -0.14 -0.29 0.45 -0.70 -1.32 0.00 0.00 176.35 174.35 3i09 s GLU 360 N -4.06 0.47 0.10 1.98 2.12 0.42 -0.30 118.70 119.42 3i09 s GLU 360 Ca 0.43 0.75 -0.31 0.00 0.36 0.00 0.00 54.97 56.20 3i09 s GLU 360 Cb -0.10 0.10 -0.07 0.00 0.26 0.00 0.00 34.13 34.32 3i09 s GLU 360 CO 0.35 -0.12 1.26 0.08 -0.54 0.00 0.00 175.26 176.29 3i09 s VAL 361 N 0.93 3.71 0.61 3.70 1.01 0.27 -0.58 120.40 130.05 3i09 s VAL 361 Ca -0.06 1.26 -0.18 0.00 0.00 0.00 0.00 61.98 63.00 3i09 s VAL 361 Cb -0.06 -3.81 -0.02 0.00 0.00 0.00 0.00 36.38 32.49 3i09 s VAL 361 CO -0.08 0.12 1.21 -0.54 0.00 0.00 0.00 175.10 175.81 3i09 s LYS 362 N 0.84 2.84 0.53 2.72 1.02 0.11 -0.96 119.74 126.85 3i09 s LYS 362 Ca 0.60 1.82 -0.21 0.00 0.02 0.00 0.00 55.97 58.20 3i09 s LYS 362 Cb -0.32 -1.91 -0.06 0.00 -0.52 0.00 0.00 37.83 35.02 3i09 s LYS 362 CO 0.31 -1.31 1.20 0.15 -0.92 0.00 0.00 175.35 174.78 3i09 s LYS 363 N -3.43 3.34 0.30 1.68 1.02 -1.26 -4.16 119.74 117.23 3i09 s LYS 363 Ca 0.77 1.82 0.06 0.00 0.02 0.00 0.00 55.97 58.64 3i09 s LYS 363 Cb -0.30 -2.15 0.81 0.00 -0.52 0.00 0.00 37.83 35.66 3i09 s LYS 363 CO 0.35 -0.91 1.68 -1.35 -0.92 0.00 0.00 175.35 174.20 3i09 h PRO 364 N 1.43 0.33 0.00 -1.68 0.11 -1.96 -0.50 132.00 129.72 3i09 h PRO 364 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3i09 h PRO 364 Cb 1.27 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3i09 h PRO 364 CO 0.57 0.22 0.00 0.66 -0.21 0.00 0.00 178.00 179.24 3i09 h SER 365 N 0.34 0.00 0.43 -2.05 4.64 -1.99 -2.24 113.55 112.68 3i09 h SER 365 Ca 0.60 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.92 3i09 h SER 365 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3i09 h SER 365 CO -0.58 0.00 -0.69 -0.62 -0.87 0.00 0.00 176.83 174.07 3i09 n GLU 366 N -2.38 0.07 -3.10 4.77 1.02 -0.20 -4.89 120.64 115.93 3i09 n GLU 366 Ca 0.01 0.01 -0.41 0.00 -0.02 0.00 0.00 57.16 56.75 3i09 n GLU 366 Cb 0.20 -1.53 -0.06 0.00 -0.02 0.00 0.00 31.44 30.03 3i09 n GLU 366 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3i09 s SER 367 N -3.26 6.60 -0.00 1.62 0.15 -0.84 -4.95 113.70 113.02 3i09 s SER 367 Ca 0.09 0.73 0.17 0.00 0.70 0.00 0.00 55.95 57.64 3i09 s SER 367 Cb 0.16 -2.34 -0.20 0.00 -1.71 0.00 0.00 66.02 61.93 3i09 s SER 367 CO 0.75 -0.37 0.68 0.29 1.20 0.00 0.00 173.24 175.79 3i09 n LYS 368 N 5.65 1.24 -3.88 5.44 5.02 -1.26 -4.99 118.16 125.38 3i09 n LYS 368 Ca -0.00 -0.02 -0.07 0.00 -2.02 0.00 0.00 58.31 56.19 3i09 n LYS 368 Cb 0.49 -1.32 -0.02 0.00 -0.02 0.00 0.00 35.03 34.15 3i09 n LYS 368 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 3i09 s GLU 369 N -2.70 1.78 0.45 1.97 1.03 -1.26 -5.07 118.70 114.89 3i09 s GLU 369 Ca 0.05 -1.06 -0.25 0.00 0.03 0.00 0.00 54.97 53.74 3i09 s GLU 369 Cb 0.13 0.59 -0.08 0.00 -0.80 0.00 0.00 34.13 33.96 3i09 s GLU 369 CO 0.71 -0.81 1.42 -2.14 -1.33 0.00 0.00 175.26 173.11 3i09 s PRO 370 N -3.85 3.69 0.00 -4.83 0.02 -1.26 -1.92 135.00 126.85 3i09 s PRO 370 Ca 0.13 2.40 0.00 0.00 0.02 0.00 0.00 61.00 63.55 3i09 s PRO 370 Cb -0.05 -2.65 0.00 0.00 0.02 0.00 0.00 34.50 31.81 3i09 s PRO 370 CO 0.08 -0.80 0.00 0.91 -0.33 0.00 0.00 177.00 176.85 3i09 n TRP 371 N -0.19 0.00 -2.61 6.54 7.02 -1.26 -4.96 117.44 121.98 3i09 n TRP 371 Ca 0.05 0.00 -0.42 0.00 -1.02 0.00 0.00 57.50 56.11 3i09 n TRP 371 Cb 0.42 -0.98 -0.02 0.00 -2.42 0.00 0.00 31.31 28.30 3i09 n TRP 371 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 3i09 s ASP 372 N -2.11 6.58 -0.01 -0.99 2.15 -0.81 -4.76 116.67 116.72 3i09 s ASP 372 Ca 0.00 -1.70 0.09 0.00 0.43 0.00 0.00 52.55 51.37 3i09 s ASP 372 Cb 0.00 -2.55 -0.13 0.00 -0.30 0.00 0.00 42.92 39.94 3i09 s ASP 372 CO 0.00 -1.39 0.25 -1.22 -0.17 0.00 0.00 175.17 172.64 3i09 n TYR 373 N 8.49 0.00 -4.84 -5.34 4.01 -1.26 -4.49 117.16 113.73 3i09 n TYR 373 Ca 0.34 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.80 3i09 n TYR 373 Cb 0.50 -0.15 -0.15 0.00 -0.31 0.00 0.00 39.34 39.23 3i09 n TYR 373 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 3i09 s TYR 374 N -2.41 2.12 -0.13 -0.72 2.02 -1.26 0.10 117.35 117.06 3i09 s TYR 374 Ca -0.01 -0.40 -0.02 0.00 -0.37 0.00 0.00 57.07 56.27 3i09 s TYR 374 Cb 0.06 -1.28 -0.02 0.00 -0.40 0.00 0.00 41.96 40.32 3i09 s TYR 374 CO 0.37 0.10 -0.08 0.15 -1.57 0.00 0.00 175.55 174.52 3i09 s LYS 375 N -1.15 3.42 -0.24 -0.62 1.02 0.25 -4.87 119.74 117.55 3i09 s LYS 375 Ca 0.10 -0.59 -0.29 0.00 0.02 0.00 0.00 55.97 55.21 3i09 s LYS 375 Cb -0.09 -2.75 0.01 0.00 -0.52 0.00 0.00 37.83 34.47 3i09 s LYS 375 CO 0.02 0.29 1.07 0.08 -0.92 0.00 0.00 175.35 175.89 3i09 s VAL 376 N 0.19 4.61 -0.08 3.17 1.01 -1.26 -0.44 120.40 127.59 3i09 s VAL 376 Ca -0.04 1.94 -0.11 0.00 0.00 0.00 0.00 61.98 63.76 3i09 s VAL 376 Cb -0.14 -4.30 -0.28 0.00 0.00 0.00 0.00 36.38 31.65 3i09 s VAL 376 CO 0.04 -0.23 0.55 0.58 0.00 0.00 0.00 175.10 176.04 3i09 h VAL 377 N 5.51 0.88 -1.96 2.92 2.07 -1.04 -3.48 116.25 121.15 3i09 h VAL 377 Ca -0.20 -2.43 -0.05 0.00 0.82 0.00 0.00 66.70 64.84 3i09 h VAL 377 Cb 1.06 2.68 -0.19 0.00 -1.52 0.00 0.00 31.29 33.31 3i09 h VAL 377 CO 0.99 0.82 0.22 0.00 0.02 0.00 0.00 177.57 179.62 3i09 s ALA 378 N -2.54 -1.79 -0.23 1.67 0.00 -0.99 -5.01 121.76 112.87 3i09 s ALA 378 Ca -0.19 1.39 -0.12 0.00 0.00 0.00 0.00 51.96 53.04 3i09 s ALA 378 Cb 0.05 -0.14 -0.05 0.00 0.00 0.00 0.00 23.12 22.99 3i09 s ALA 378 CO 0.80 -0.36 0.23 0.99 0.00 0.00 0.00 175.76 177.43 3i09 s THR 379 N -1.08 5.31 -0.30 0.00 2.01 -1.26 -0.79 115.64 119.52 3i09 s THR 379 Ca -0.09 0.34 -0.13 0.00 0.31 0.00 0.00 61.69 62.11 3i09 s THR 379 Cb -0.00 -3.57 -0.03 0.00 0.01 0.00 0.00 72.50 68.90 3i09 s THR 379 CO 0.09 0.31 0.26 -0.63 -0.69 0.00 0.00 174.62 173.96 3i09 s ILE 380 N 1.18 5.26 0.42 1.82 1.01 -1.26 -4.99 121.20 124.64 3i09 s ILE 380 Ca 0.11 0.14 -0.26 0.00 0.00 0.00 0.00 60.65 60.64 3i09 s ILE 380 Cb -0.14 -3.65 -0.09 0.00 0.01 0.00 0.00 42.46 38.59 3i09 s ILE 380 CO 0.06 0.12 1.43 -2.84 0.00 0.00 0.00 174.94 173.71 3i09 s PRO 381 N 1.85 3.86 0.30 2.79 0.02 -1.26 -4.41 135.00 138.15 3i09 s PRO 381 Ca 0.09 2.43 0.03 0.00 0.02 0.00 0.00 61.00 63.57 3i09 s PRO 381 Cb -0.16 -2.77 0.60 0.00 0.02 0.00 0.00 34.50 32.19 3i09 s PRO 381 CO 0.11 -0.68 1.84 0.78 -0.33 0.00 0.00 177.00 178.72 3i09 h GLY 382 N 2.59 1.56 2.00 0.52 0.00 -1.91 0.30 103.07 108.14 3i09 h GLY 382 Ca -0.51 -0.40 -0.02 0.00 0.00 0.00 0.00 47.33 46.40 3i09 h GLY 382 CO 0.62 0.15 -0.10 0.83 0.00 0.00 0.00 176.54 178.04 3i09 h GLU 383 N 0.94 0.00 0.00 4.80 4.39 -1.89 -1.62 114.58 121.20 3i09 h GLU 383 Ca 0.49 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 60.08 3i09 h GLU 383 Cb 0.52 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.16 3i09 h GLU 383 CO -0.25 0.10 -0.92 1.96 -1.16 0.00 0.00 179.01 178.74 3i09 h GLN 384 N 0.00 0.00 0.08 2.33 4.20 -1.31 -3.37 115.11 117.04 3i09 h GLN 384 Ca -0.00 0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.45 3i09 h GLN 384 Cb 0.21 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 3i09 h GLN 384 CO 0.01 0.29 -1.20 0.00 -0.67 0.00 0.00 178.83 177.26 3i09 h ALA 385 N 1.59 0.21 -1.90 3.87 0.00 -0.58 -3.47 119.26 118.97 3i09 h ALA 385 Ca -0.07 -0.93 -0.47 0.00 0.00 0.00 0.00 54.91 53.45 3i09 h ALA 385 Cb 1.37 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 3i09 h ALA 385 CO 0.04 1.09 -0.41 -0.06 0.00 0.00 0.00 179.25 179.92 3i09 s PHE 386 N -2.67 3.09 0.12 0.00 0.08 -0.91 -2.93 117.98 114.75 3i09 s PHE 386 Ca -0.03 -0.21 -0.35 0.00 0.12 0.00 0.00 56.93 56.46 3i09 s PHE 386 Cb 0.08 -1.82 -0.16 0.00 -0.57 0.00 0.00 43.02 40.55 3i09 s PHE 386 CO 0.86 0.16 1.29 2.41 -0.10 0.00 0.00 175.22 179.84 3i09 n THR 387 N -1.48 0.30 -2.41 0.64 -1.04 -1.26 -4.95 114.28 104.09 3i09 n THR 387 Ca -0.03 -0.08 -0.27 0.00 -2.04 0.00 0.00 64.05 61.64 3i09 n THR 387 Cb 0.58 -0.85 0.02 0.00 -1.82 0.00 0.00 70.33 68.26 3i09 n THR 387 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 3i09 s THR 388 N 0.27 4.10 0.32 12.58 -4.23 -1.26 -4.91 115.64 122.50 3i09 s THR 388 Ca 0.80 0.14 0.01 0.00 -1.18 0.00 0.00 61.69 61.46 3i09 s THR 388 Cb -0.91 -3.61 0.27 0.00 1.34 0.00 0.00 72.50 69.60 3i09 s THR 388 CO 0.48 -0.63 1.96 0.50 -0.54 0.00 0.00 174.62 176.39 3i09 h LYS 389 N -0.08 0.96 -0.11 3.99 3.64 -1.98 -1.00 116.57 121.99 3i09 h LYS 389 Ca -0.46 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 58.86 3i09 h LYS 389 Cb 1.24 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.83 3i09 h LYS 389 CO 0.61 0.64 0.03 0.37 -2.27 0.00 0.00 179.45 178.82 3i09 h GLN 390 N 0.99 0.15 -0.03 1.90 5.75 -2.00 -3.02 115.11 118.85 3i09 h GLN 390 Ca 0.31 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.80 3i09 h GLN 390 Cb 0.03 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 28.55 3i09 h GLN 390 CO -0.09 0.15 0.00 -0.85 -2.65 0.00 0.00 178.83 175.39 3i09 n GLU 391 N -4.47 1.12 -1.81 1.69 0.28 -0.68 -5.03 120.64 111.74 3i09 n GLU 391 Ca -0.01 -1.41 -0.39 0.00 -0.16 0.00 0.00 57.16 55.19 3i09 n GLU 391 Cb 0.12 -1.29 0.03 0.00 1.43 0.00 0.00 31.44 31.73 3i09 n GLU 391 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 177.13 176.89 3i09 s THR 392 N -1.23 2.13 -0.24 3.84 -1.32 -0.47 -4.90 115.64 113.45 3i09 s THR 392 Ca 0.18 0.10 0.16 0.00 -1.21 0.00 0.00 61.69 60.92 3i09 s THR 392 Cb 0.13 -3.05 0.52 0.00 -1.51 0.00 0.00 72.50 68.58 3i09 s THR 392 CO 0.19 0.00 1.41 0.54 -2.21 0.00 0.00 174.62 174.55 3i09 n ARG 393 N -0.72 2.95 -2.84 7.08 3.00 -1.26 -4.95 116.66 119.91 3i09 n ARG 393 Ca 0.08 -2.79 -0.43 0.00 -0.01 0.00 0.00 57.85 54.71 3i09 n ARG 393 Cb 0.44 -1.81 -0.04 0.00 0.00 0.00 0.00 32.46 31.05 3i09 n ARG 393 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3i09 h ALA 395 N 9.15 1.00 -0.00 0.00 0.00 -1.93 -1.80 119.26 125.67 3i09 h ALA 395 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3i09 h ALA 395 Cb 1.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3i09 h ALA 395 CO 1.04 0.00 -0.15 1.28 0.00 0.00 0.00 179.25 181.42 3i09 n LEU 396 N -2.73 0.40 -4.26 0.00 4.77 -1.26 -4.50 117.00 109.41 3i09 n LEU 396 Ca -0.00 0.09 -0.43 0.00 -0.03 0.00 0.00 56.01 55.64 3i09 n LEU 396 Cb 0.20 -0.25 -0.03 0.00 -2.33 0.00 0.00 43.42 41.01 3i09 n LEU 396 CO 0.21 0.08 0.49 0.86 -1.33 0.00 0.00 177.39 177.70 3i09 s TRP 397 N -2.65 3.93 -2.47 -1.77 -0.00 -0.68 -4.92 118.94 110.38 3i09 s TRP 397 Ca 0.23 -2.54 0.28 0.00 -0.00 0.00 0.00 56.10 54.08 3i09 s TRP 397 Cb 0.19 -3.64 1.11 0.00 -0.00 0.00 0.00 33.47 31.13 3i09 s TRP 397 CO 0.52 -0.91 1.78 0.36 -0.00 0.00 0.00 176.95 178.70