#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iwk s ARG 8 N 0.00 2.48 0.00 -1.46 0.52 -1.26 -5.15 118.95 114.08 3iwk s ARG 8 Ca 0.00 -1.61 0.00 0.00 -0.52 0.00 0.00 55.73 53.60 3iwk s ARG 8 Cb 0.00 -2.35 0.00 0.00 0.52 0.00 0.00 34.95 33.12 3iwk s ARG 8 CO 0.00 -0.28 0.00 1.04 0.02 0.00 0.00 175.30 176.08 3iwk n GLN 9 N -1.60 3.30 -2.70 3.54 3.00 -1.26 -4.40 117.38 117.26 3iwk n GLN 9 Ca 0.03 0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.67 3iwk n GLN 9 Cb 0.62 0.00 -0.06 0.00 0.00 0.00 0.00 30.24 30.80 3iwk n GLN 9 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 3iwk s LEU 10 N 0.00 4.17 -0.43 1.08 1.43 -0.86 -4.86 118.68 119.21 3iwk s LEU 10 Ca 0.00 1.87 -0.09 0.00 -1.03 0.00 0.00 54.13 54.88 3iwk s LEU 10 Cb 0.00 -4.21 0.08 0.00 0.03 0.00 0.00 46.19 42.09 3iwk s LEU 10 CO 0.00 -0.30 0.27 0.12 0.23 0.00 0.00 176.35 176.67 3iwk s PHE 11 N -1.77 3.35 -0.06 0.29 5.36 -0.81 -1.09 117.98 123.26 3iwk s PHE 11 Ca 0.56 -1.55 0.01 0.00 -0.96 0.00 0.00 56.93 54.99 3iwk s PHE 11 Cb -0.17 -3.02 0.02 0.00 -0.34 0.00 0.00 43.02 39.50 3iwk s PHE 11 CO 0.22 -0.86 -0.07 0.42 -1.46 0.00 0.00 175.22 173.48 3iwk s ILE 12 N 1.42 0.72 -1.45 3.12 1.01 -0.07 -0.39 121.20 125.57 3iwk s ILE 12 Ca 0.03 -0.22 -0.08 0.00 0.00 0.00 0.00 60.65 60.38 3iwk s ILE 12 Cb -0.23 -0.72 0.04 0.00 0.01 0.00 0.00 42.46 41.56 3iwk s ILE 12 CO 0.02 0.27 0.70 -0.67 0.00 0.00 0.00 174.94 175.27 3iwk n ASP 13 N 4.11 -5.16 -0.03 3.58 -0.08 -1.26 -1.48 116.55 116.23 3iwk n ASP 13 Ca -0.22 -0.44 -0.00 0.00 -1.51 0.00 0.00 54.79 52.61 3iwk n ASP 13 Cb 0.51 -4.17 -0.00 0.00 2.34 0.00 0.00 41.12 39.80 3iwk n ASP 13 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3iwk n GLY 14 N -1.50 0.47 3.19 0.27 0.00 -1.26 -4.41 105.19 101.95 3iwk n GLY 14 Ca -0.04 -0.25 -0.14 0.00 0.00 0.00 0.00 46.02 45.59 3iwk n GLY 14 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3iwk s GLU 15 N -0.63 0.88 -0.15 1.61 0.41 -0.55 -4.93 118.70 115.35 3iwk s GLU 15 Ca 0.00 -1.24 -0.26 0.00 -0.41 0.00 0.00 54.97 53.06 3iwk s GLU 15 Cb 0.00 -0.50 -0.01 0.00 -1.78 0.00 0.00 34.13 31.83 3iwk s GLU 15 CO 0.00 0.07 0.88 -1.58 -0.49 0.00 0.00 175.26 174.14 3iwk s TRP 16 N -2.76 3.45 -0.03 1.61 0.52 -1.26 -0.89 118.94 119.58 3iwk s TRP 16 Ca 0.08 1.35 0.02 0.00 0.02 0.00 0.00 56.10 57.58 3iwk s TRP 16 Cb -0.01 -3.06 0.01 0.00 -1.15 0.00 0.00 33.47 29.26 3iwk s TRP 16 CO -0.01 -0.23 -0.07 1.03 0.02 0.00 0.00 176.95 177.69 3iwk s ARG 17 N 2.09 0.85 0.25 4.98 1.81 -0.25 -4.96 118.95 123.72 3iwk s ARG 17 Ca 0.41 -0.24 -0.30 0.00 -1.72 0.00 0.00 55.73 53.88 3iwk s ARG 17 Cb -0.17 -0.81 -0.09 0.00 -0.45 0.00 0.00 34.95 33.43 3iwk s ARG 17 CO 0.14 0.07 1.29 0.08 -0.68 0.00 0.00 175.30 176.20 3iwk s VAL 18 N 0.31 3.07 0.23 3.52 1.01 -1.26 -2.03 120.40 125.24 3iwk s VAL 18 Ca -0.04 0.96 -0.31 0.00 0.00 0.00 0.00 61.98 62.58 3iwk s VAL 18 Cb -0.09 -3.61 -0.14 0.00 0.00 0.00 0.00 36.38 32.54 3iwk s VAL 18 CO 0.00 0.18 1.24 -2.65 0.00 0.00 0.00 175.10 173.87 3iwk n PRO 19 N 1.91 1.59 -0.29 2.72 -0.02 -1.26 -4.86 135.00 134.79 3iwk n PRO 19 Ca 0.03 0.56 0.11 0.00 -2.02 0.00 0.00 63.50 62.18 3iwk n PRO 19 Cb 0.43 -2.10 0.26 0.00 -0.02 0.00 0.00 33.50 32.06 3iwk n PRO 19 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3iwk h ILE 20 N 2.68 0.43 -0.05 4.25 1.08 -1.93 0.12 117.51 124.09 3iwk h ILE 20 Ca -0.43 -0.10 0.00 0.00 -0.39 0.00 0.00 64.86 63.94 3iwk h ILE 20 Cb 1.31 0.11 0.00 0.00 -3.07 0.00 0.00 36.82 35.18 3iwk h ILE 20 CO 0.70 0.05 0.00 0.18 -0.69 0.00 0.00 178.15 178.39 3iwk n LEU 21 N -5.15 1.57 -1.88 1.44 4.32 -1.26 -4.96 117.00 111.08 3iwk n LEU 21 Ca 0.19 -0.55 -0.19 0.00 -0.02 0.00 0.00 56.01 55.44 3iwk n LEU 21 Cb 0.60 -0.02 -0.04 0.00 -1.62 0.00 0.00 43.42 42.34 3iwk n LEU 21 CO 0.10 0.28 -0.22 -3.20 -1.22 0.00 0.00 177.39 173.13 3iwk n ASN 22 N 0.23 -5.43 -4.91 -1.43 5.15 0.41 -4.99 115.26 104.29 3iwk n ASN 22 Ca 0.18 0.19 -0.29 0.00 -0.60 0.00 0.00 54.58 54.07 3iwk n ASN 22 Cb 0.35 -4.54 -0.04 0.00 -0.53 0.00 0.00 39.78 35.03 3iwk n ASN 22 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3iwk s LYS 23 N -4.38 3.62 0.09 1.20 1.02 -1.26 -5.01 119.74 115.01 3iwk s LYS 23 Ca 0.00 -0.07 0.03 0.00 0.02 0.00 0.00 55.97 55.95 3iwk s LYS 23 Cb 0.00 -2.73 -0.04 0.00 -0.52 0.00 0.00 37.83 34.54 3iwk s LYS 23 CO 0.00 0.32 -0.10 1.03 -0.92 0.00 0.00 175.35 175.68 3iwk s ARG 24 N -3.25 0.82 -0.16 1.68 0.52 -1.26 -1.57 118.95 115.73 3iwk s ARG 24 Ca 0.42 -1.14 -0.00 0.00 -0.52 0.00 0.00 55.73 54.49 3iwk s ARG 24 Cb -0.11 -0.49 -0.00 0.00 0.52 0.00 0.00 34.95 34.87 3iwk s ARG 24 CO 0.28 0.07 -0.14 0.42 0.02 0.00 0.00 175.30 175.94 3iwk s ILE 25 N -2.45 2.74 0.76 1.52 1.01 0.26 -4.84 121.20 120.20 3iwk s ILE 25 Ca 0.05 -0.74 -0.15 0.00 0.00 0.00 0.00 60.65 59.81 3iwk s ILE 25 Cb -0.03 -2.16 0.05 0.00 0.01 0.00 0.00 42.46 40.33 3iwk s ILE 25 CO -0.00 0.51 1.22 -0.81 0.00 0.00 0.00 174.94 175.86 3iwk n PRO 26 N 4.05 0.45 -4.37 2.79 -0.04 -1.26 -0.46 135.00 136.16 3iwk n PRO 26 Ca -0.19 0.22 -0.29 0.00 -0.04 0.00 0.00 63.50 63.21 3iwk n PRO 26 Cb 0.52 -2.46 -0.17 0.00 -0.04 0.00 0.00 33.50 31.35 3iwk n PRO 26 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 3iwk s ASN 27 N -1.90 2.53 -0.14 3.54 2.47 0.10 -4.77 114.94 116.78 3iwk s ASN 27 Ca 0.76 -0.45 -0.07 0.00 0.42 0.00 0.00 52.86 53.52 3iwk s ASN 27 Cb -0.32 -1.13 -0.04 0.00 -1.45 0.00 0.00 41.25 38.31 3iwk s ASN 27 CO 0.48 0.00 0.11 -0.63 -3.72 0.00 0.00 177.10 173.34 3iwk s ILE 28 N 1.09 5.28 -0.21 -5.21 -1.09 -1.26 -0.15 121.20 119.65 3iwk s ILE 28 Ca -0.04 0.13 -0.29 0.00 -2.23 0.00 0.00 60.65 58.22 3iwk s ILE 28 Cb -0.14 -3.32 0.00 0.00 -1.58 0.00 0.00 42.46 37.42 3iwk s ILE 28 CO -0.04 0.57 1.06 0.21 -1.23 0.00 0.00 174.94 175.51 3iwk s ASN 29 N -0.62 7.11 0.56 3.58 3.04 -0.77 -4.90 114.94 122.94 3iwk s ASN 29 Ca 0.12 1.43 0.34 0.00 0.04 0.00 0.00 52.86 54.80 3iwk s ASN 29 Cb -0.12 -2.54 1.53 0.00 -1.54 0.00 0.00 41.25 38.58 3iwk s ASN 29 CO 0.02 -0.65 2.05 1.55 -3.04 0.00 0.00 177.10 177.04 3iwk h PRO 30 N 7.47 0.00 0.00 0.43 0.13 -1.79 0.99 132.00 139.22 3iwk h PRO 30 Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 3iwk h PRO 30 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 3iwk h PRO 30 CO 0.96 0.03 -0.74 -1.13 -0.23 0.00 0.00 178.00 176.89 3iwk n SER 31 N -3.16 0.62 0.00 1.44 3.41 -1.26 -0.82 113.62 113.85 3iwk n SER 31 Ca -0.00 -0.13 0.00 0.00 -0.26 0.00 0.00 58.87 58.48 3iwk n SER 31 Cb 0.27 0.43 0.00 0.00 -0.26 0.00 0.00 64.21 64.64 3iwk n SER 31 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3iwk n THR 32 N -1.87 0.00 -1.20 6.66 -2.24 -1.11 -3.56 114.28 110.96 3iwk n THR 32 Ca 0.03 -0.14 -0.07 0.00 -2.27 0.00 0.00 64.05 61.61 3iwk n THR 32 Cb 0.41 0.62 -0.03 0.00 -2.10 0.00 0.00 70.33 69.23 3iwk n THR 32 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3iwk n GLU 33 N -1.22 -1.16 -3.85 -0.78 1.02 0.32 -4.57 120.64 110.41 3iwk n GLU 33 Ca 0.00 0.65 -0.34 0.00 -0.02 0.00 0.00 57.16 57.45 3iwk n GLU 33 Cb 0.00 -4.70 -0.05 0.00 -0.02 0.00 0.00 31.44 26.67 3iwk n GLU 33 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 3iwk s ASN 34 N -2.41 6.42 -0.07 1.62 0.01 -1.26 -4.88 114.94 114.36 3iwk s ASN 34 Ca 0.00 0.43 -0.30 0.00 -0.71 0.00 0.00 52.86 52.28 3iwk s ASN 34 Cb 0.00 -2.04 -0.05 0.00 0.41 0.00 0.00 41.25 39.57 3iwk s ASN 34 CO 0.00 0.26 1.61 -0.63 -1.51 0.00 0.00 177.10 176.84 3iwk s ILE 35 N -1.31 3.66 -0.44 0.60 1.01 -1.26 -1.85 121.20 121.61 3iwk s ILE 35 Ca 0.27 0.80 0.04 0.00 0.00 0.00 0.00 60.65 61.76 3iwk s ILE 35 Cb -0.13 -3.52 0.09 0.00 0.01 0.00 0.00 42.46 38.92 3iwk s ILE 35 CO 0.17 -0.08 0.94 0.00 0.00 0.00 0.00 174.94 175.98 3iwk n ILE 36 N 5.49 0.65 -3.17 2.92 0.13 0.79 -4.96 119.36 121.22 3iwk n ILE 36 Ca 0.17 -0.83 0.00 0.00 -1.10 0.00 0.00 62.75 60.99 3iwk n ILE 36 Cb 0.43 0.71 0.00 0.00 -0.84 0.00 0.00 39.64 39.94 3iwk n ILE 36 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 3iwk n GLY 37 N 0.03 -0.88 3.29 4.50 0.00 -1.22 -4.99 105.19 105.92 3iwk n GLY 37 Ca 0.04 -1.37 -0.10 0.00 0.00 0.00 0.00 46.02 44.59 3iwk n GLY 37 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3iwk s ASP 38 N -4.00 -0.13 0.17 1.61 -4.77 -1.26 0.01 116.67 108.31 3iwk s ASP 38 Ca 0.00 -0.42 0.10 0.00 -3.30 0.00 0.00 52.55 48.92 3iwk s ASP 38 Cb 0.00 0.43 -0.04 0.00 -1.09 0.00 0.00 42.92 42.22 3iwk s ASP 38 CO 0.00 -0.82 -0.21 0.27 0.70 0.00 0.00 175.17 175.12 3iwk s ILE 39 N -3.82 2.03 0.34 2.11 -4.36 0.40 -4.81 121.20 113.08 3iwk s ILE 39 Ca 0.04 -1.95 -0.28 0.00 -0.26 0.00 0.00 60.65 58.19 3iwk s ILE 39 Cb 0.03 -1.94 -0.10 0.00 1.25 0.00 0.00 42.46 41.70 3iwk s ILE 39 CO -0.12 -0.23 1.25 -2.16 0.24 0.00 0.00 174.94 173.92 3iwk s PRO 40 N -2.72 4.35 -0.64 0.37 0.04 -1.26 -0.58 135.00 134.55 3iwk s PRO 40 Ca 0.17 2.09 -0.09 0.00 0.04 0.00 0.00 61.00 63.21 3iwk s PRO 40 Cb -0.07 -3.02 0.17 0.00 0.04 0.00 0.00 34.50 31.62 3iwk s PRO 40 CO 0.08 -0.15 0.52 0.00 0.04 0.00 0.00 177.00 177.49 3iwk s ALA 41 N -1.19 3.69 0.54 8.56 0.00 -0.61 -3.78 121.76 128.97 3iwk s ALA 41 Ca 0.50 -3.05 -0.19 0.00 0.00 0.00 0.00 51.96 49.21 3iwk s ALA 41 Cb -0.37 -3.00 -0.06 0.00 0.00 0.00 0.00 23.12 19.69 3iwk s ALA 41 CO 0.49 -2.10 1.09 0.00 0.00 0.00 0.00 175.76 175.23 3iwk s ALA 42 N 0.47 2.75 0.36 0.00 0.00 0.88 -4.55 121.76 121.66 3iwk s ALA 42 Ca 0.14 0.67 0.03 0.00 0.00 0.00 0.00 51.96 52.80 3iwk s ALA 42 Cb -0.19 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.59 3iwk s ALA 42 CO -0.04 -0.64 0.11 -0.08 0.00 0.00 0.00 175.76 175.11 3iwk s THR 43 N -1.97 0.70 0.31 0.00 -1.32 -1.26 -3.76 115.64 108.33 3iwk s THR 43 Ca 0.69 -2.00 0.06 0.00 -1.21 0.00 0.00 61.69 59.23 3iwk s THR 43 Cb -0.20 -2.51 0.32 0.00 -1.51 0.00 0.00 72.50 68.60 3iwk s THR 43 CO 0.26 0.00 1.65 0.50 -2.21 0.00 0.00 174.62 174.82 3iwk h LYS 44 N 1.99 0.22 -0.59 7.08 1.63 -1.94 -0.61 116.57 124.36 3iwk h LYS 44 Ca -0.37 -0.01 -0.05 0.00 -0.85 0.00 0.00 60.65 59.37 3iwk h LYS 44 Cb 1.26 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 32.81 3iwk h LYS 44 CO 0.59 0.15 0.15 0.93 -3.45 0.00 0.00 179.45 177.82 3iwk h GLU 45 N 0.23 0.91 -0.11 1.90 3.07 -1.98 -1.59 114.58 117.01 3iwk h GLU 45 Ca 0.62 -0.19 -0.18 0.00 -0.50 0.00 0.00 59.36 59.10 3iwk h GLU 45 Cb 1.31 -0.13 -0.00 0.00 -0.84 0.00 0.00 28.75 29.08 3iwk h GLU 45 CO -0.66 0.81 -0.70 -0.44 -1.40 0.00 0.00 179.01 176.63 3iwk h ASP 46 N 0.87 0.57 -0.65 1.42 5.19 -1.53 -2.94 116.42 119.35 3iwk h ASP 46 Ca 0.19 -0.36 -0.06 0.00 -0.62 0.00 0.00 57.03 56.19 3iwk h ASP 46 Cb 0.31 -0.17 -0.03 0.00 0.18 0.00 0.00 39.33 39.62 3iwk h ASP 46 CO -0.00 1.10 0.19 0.58 -3.12 0.00 0.00 179.24 177.99 3iwk h VAL 47 N 0.34 1.25 -0.80 -1.35 2.07 -1.05 -1.37 116.25 115.35 3iwk h VAL 47 Ca -0.03 -0.88 0.00 0.00 0.82 0.00 0.00 66.70 66.62 3iwk h VAL 47 Cb 1.27 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 31.52 3iwk h VAL 47 CO 0.12 0.34 0.51 0.44 0.02 0.00 0.00 177.57 179.01 3iwk h ASP 48 N 1.00 0.93 -0.67 0.57 3.32 -1.28 -1.05 116.42 119.24 3iwk h ASP 48 Ca 0.22 -0.04 -0.08 0.00 0.02 0.00 0.00 57.03 57.15 3iwk h ASP 48 Cb 0.31 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.59 3iwk h ASP 48 CO -0.01 0.70 0.12 -0.07 -1.72 0.00 0.00 179.24 178.26 3iwk h LEU 49 N 1.09 1.07 -0.33 1.55 3.38 -1.27 -0.46 115.31 120.33 3iwk h LEU 49 Ca 0.29 -0.25 -0.13 0.00 0.09 0.00 0.00 57.88 57.88 3iwk h LEU 49 Cb -0.09 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.37 3iwk h LEU 49 CO -0.06 1.05 -0.30 0.00 0.09 0.00 0.00 178.44 179.22 3iwk h ALA 50 N 1.07 0.48 -0.33 1.53 0.00 -1.04 -1.54 119.26 119.44 3iwk h ALA 50 Ca 0.21 -0.41 -0.10 0.00 0.00 0.00 0.00 54.91 54.61 3iwk h ALA 50 Cb 0.44 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3iwk h ALA 50 CO 0.01 0.52 -0.18 0.28 0.00 0.00 0.00 179.25 179.88 3iwk h VAL 51 N 0.57 1.29 -0.59 0.00 2.07 -1.15 -1.60 116.25 116.82 3iwk h VAL 51 Ca 0.06 -1.30 0.06 0.00 0.82 0.00 0.00 66.70 66.34 3iwk h VAL 51 Cb 0.87 1.42 -0.05 0.00 -1.52 0.00 0.00 31.29 32.01 3iwk h VAL 51 CO 0.08 0.42 0.30 0.44 0.02 0.00 0.00 177.57 178.83 3iwk h ASP 52 N 0.48 0.41 -0.73 0.57 3.32 -1.06 0.96 116.42 120.37 3iwk h ASP 52 Ca 0.07 0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.12 3iwk h ASP 52 Cb 0.72 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 40.21 3iwk h ASP 52 CO 0.05 0.27 0.29 0.00 -1.72 0.00 0.00 179.24 178.13 3iwk h ALA 53 N 1.34 0.95 -0.21 3.45 0.00 -1.19 -0.92 119.26 122.68 3iwk h ALA 53 Ca 0.27 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3iwk h ALA 53 Cb 0.21 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3iwk h ALA 53 CO -0.20 0.57 0.13 0.00 0.00 0.00 0.00 179.25 179.75 3iwk h ALA 54 N 1.14 0.27 -0.49 0.00 0.00 -0.72 -0.75 119.26 118.71 3iwk h ALA 54 Ca 0.24 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.19 3iwk h ALA 54 Cb 0.21 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.85 3iwk h ALA 54 CO -0.02 -0.23 0.14 0.87 0.00 0.00 0.00 179.25 180.01 3iwk h LYS 55 N 0.26 0.28 -0.27 0.00 1.79 -0.54 -2.05 116.57 116.03 3iwk h LYS 55 Ca 0.08 -0.02 -0.07 0.00 -2.18 0.00 0.00 60.65 58.46 3iwk h LYS 55 Cb 0.01 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 30.58 3iwk h LYS 55 CO -0.01 0.18 -0.12 0.00 -1.08 0.00 0.00 179.45 178.42 3iwk h ARG 56 N 0.29 0.46 -0.08 3.15 3.08 -1.02 -2.79 114.38 117.46 3iwk h ARG 56 Ca 0.24 -0.13 -0.05 0.00 0.07 0.00 0.00 59.98 60.11 3iwk h ARG 56 Cb 0.30 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 3iwk h ARG 56 CO -0.28 0.58 -0.18 0.00 -1.07 0.00 0.00 179.97 179.01 3iwk h ALA 57 N 1.45 1.54 0.03 0.04 0.00 -0.42 0.36 119.26 122.25 3iwk h ALA 57 Ca 0.08 -0.22 -0.26 0.00 0.00 0.00 0.00 54.91 54.52 3iwk h ALA 57 Cb 0.47 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 3iwk h ALA 57 CO 0.03 0.33 -1.37 -0.84 0.00 0.00 0.00 179.25 177.41 3iwk h ILE 58 N 0.13 1.29 0.00 0.00 3.07 -1.28 -3.38 117.51 117.34 3iwk h ILE 58 Ca 0.02 -3.03 -0.01 0.00 1.55 0.00 0.00 64.86 63.39 3iwk h ILE 58 Cb 0.41 2.68 -0.00 0.00 -0.27 0.00 0.00 36.82 39.63 3iwk h ILE 58 CO 0.03 0.77 -1.16 -1.54 -1.05 0.00 0.00 178.15 175.20 3iwk n SER 59 N -3.26 0.73 -4.68 2.16 3.41 -1.07 -3.52 113.62 107.38 3iwk n SER 59 Ca -0.10 0.28 -0.54 0.00 -0.26 0.00 0.00 58.87 58.25 3iwk n SER 59 Cb 1.00 0.66 -0.06 0.00 -0.26 0.00 0.00 64.21 65.54 3iwk n SER 59 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3iwk n ARG 60 N -2.63 1.39 -3.71 4.33 0.63 0.10 -2.58 116.66 114.19 3iwk n ARG 60 Ca -0.01 0.51 -0.22 0.00 -0.92 0.00 0.00 57.85 57.21 3iwk n ARG 60 Cb 0.56 -2.22 0.03 0.00 0.45 0.00 0.00 32.46 31.29 3iwk n ARG 60 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 3iwk n LYS 61 N 5.03 -5.00 -1.94 -0.14 5.02 -1.26 -1.04 118.16 118.83 3iwk n LYS 61 Ca 0.24 0.62 -0.12 0.00 -2.02 0.00 0.00 58.31 57.03 3iwk n LYS 61 Cb 0.18 -5.21 -0.03 0.00 -0.02 0.00 0.00 35.03 29.95 3iwk n LYS 61 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3iwk n ASN 62 N -3.04 -3.59 0.00 4.39 4.13 -1.07 -1.16 115.26 114.92 3iwk n ASN 62 Ca -0.28 0.25 0.00 0.00 1.68 0.00 0.00 54.58 56.23 3iwk n ASN 62 Cb 0.67 -3.20 0.00 0.00 -1.54 0.00 0.00 39.78 35.71 3iwk n ASN 62 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3iwk n GLY 63 N -0.54 0.37 0.30 7.41 0.00 -0.21 -4.66 105.19 107.87 3iwk n GLY 63 Ca -0.14 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.07 3iwk n GLY 63 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3iwk h ARG 64 N 0.76 0.00 0.00 1.61 3.08 -1.25 0.58 114.38 119.17 3iwk h ARG 64 Ca 0.00 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 59.95 3iwk h ARG 64 Cb 0.28 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 3iwk h ARG 64 CO 0.00 0.02 -0.62 -0.44 -1.07 0.00 0.00 179.97 177.86 3iwk h ASP 65 N 0.00 0.00 0.00 7.04 3.32 -1.79 -3.37 116.42 121.61 3iwk h ASP 65 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3iwk h ASP 65 Cb 0.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.84 3iwk h ASP 65 CO 0.00 0.43 0.00 1.87 -1.72 0.00 0.00 179.24 179.82 3iwk n TRP 66 N -3.12 -0.96 0.09 4.55 -0.00 -0.95 -4.88 117.44 112.17 3iwk n TRP 66 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.50 57.48 3iwk n TRP 66 Cb 0.72 0.50 0.21 0.00 -0.00 0.00 0.00 31.31 32.74 3iwk n TRP 66 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 177.69 178.35 3iwk h SER 67 N 0.00 0.25 -0.12 5.87 4.64 -1.56 -2.88 113.55 119.76 3iwk h SER 67 Ca 0.00 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 3iwk h SER 67 Cb 0.00 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 3iwk h SER 67 CO 0.00 0.66 0.00 0.00 -0.87 0.00 0.00 176.83 176.62 3iwk n ALA 68 N -2.47 2.42 -1.11 5.18 0.00 0.20 -4.77 120.51 119.96 3iwk n ALA 68 Ca -0.02 -0.74 -0.30 0.00 0.00 0.00 0.00 53.44 52.38 3iwk n ALA 68 Cb 0.50 -0.53 0.15 0.00 0.00 0.00 0.00 19.45 19.57 3iwk n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iwk s ALA 69 N -1.21 1.32 0.68 0.00 0.00 -1.09 -4.80 121.76 116.67 3iwk s ALA 69 Ca 0.21 -0.04 -0.11 0.00 0.00 0.00 0.00 51.96 52.02 3iwk s ALA 69 Cb 0.13 -3.21 -0.00 0.00 0.00 0.00 0.00 23.12 20.04 3iwk s ALA 69 CO 0.19 -2.55 1.05 -1.54 0.00 0.00 0.00 175.76 172.92 3iwk s SER 70 N -3.29 5.58 0.47 0.00 1.04 -1.26 -4.95 113.70 111.29 3iwk s SER 70 Ca 0.64 1.58 0.17 0.00 0.48 0.00 0.00 55.95 58.82 3iwk s SER 70 Cb -0.19 -2.49 1.15 0.00 0.10 0.00 0.00 66.02 64.59 3iwk s SER 70 CO 0.58 -1.31 2.04 1.23 0.98 0.00 0.00 173.24 176.75 3iwk h GLY 71 N -0.60 0.00 1.72 7.32 0.00 -1.90 -2.62 103.07 106.98 3iwk h GLY 71 Ca -0.44 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 46.83 3iwk h GLY 71 CO 0.58 0.00 -0.12 1.48 0.00 0.00 0.00 176.54 178.48 3iwk h SER 72 N 0.00 0.33 -0.01 0.19 4.64 -1.85 0.14 113.55 117.00 3iwk h SER 72 Ca -0.00 -0.07 -0.00 0.00 -0.47 0.00 0.00 61.79 61.24 3iwk h SER 72 Cb 0.27 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.27 3iwk h SER 72 CO 0.02 0.48 0.00 0.25 -0.87 0.00 0.00 176.83 176.72 3iwk h LEU 73 N 0.33 0.01 -0.94 5.97 6.46 -1.85 -2.52 115.31 122.77 3iwk h LEU 73 Ca 0.07 -0.12 -0.07 0.00 -0.12 0.00 0.00 57.88 57.63 3iwk h LEU 73 Cb 0.41 -0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.32 3iwk h LEU 73 CO 0.02 0.13 -0.02 0.03 -0.62 0.00 0.00 178.44 177.98 3iwk h ARG 74 N -0.11 0.75 -0.65 1.25 3.08 -1.51 -2.93 114.38 114.26 3iwk h ARG 74 Ca 0.00 -0.21 0.11 0.00 0.07 0.00 0.00 59.98 59.96 3iwk h ARG 74 Cb 0.12 -0.09 -0.08 0.00 0.08 0.00 0.00 29.97 30.00 3iwk h ARG 74 CO -0.00 0.78 0.22 0.00 -1.07 0.00 0.00 179.97 179.90 3iwk h ALA 75 N 1.28 0.85 -0.67 0.04 0.00 -0.62 -1.26 119.26 118.87 3iwk h ALA 75 Ca 0.14 0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.19 3iwk h ALA 75 Cb 0.46 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.30 3iwk h ALA 75 CO 0.02 -0.23 0.40 0.00 0.00 0.00 0.00 179.25 179.44 3iwk h ARG 76 N 0.38 0.75 -0.32 0.00 3.08 -1.26 -0.11 114.38 116.90 3iwk h ARG 76 Ca 0.34 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.33 3iwk h ARG 76 Cb 0.48 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 3iwk h ARG 76 CO -0.37 0.49 0.13 1.88 -1.07 0.00 0.00 179.97 181.03 3iwk h TYR 77 N 0.77 0.50 -0.73 3.04 0.05 -1.44 -0.28 116.97 118.88 3iwk h TYR 77 Ca 0.28 -0.04 -0.00 0.00 0.05 0.00 0.00 58.73 59.02 3iwk h TYR 77 Cb 0.08 -0.15 -0.04 0.00 1.01 0.00 0.00 36.73 37.63 3iwk h TYR 77 CO -0.06 0.48 0.44 -0.07 -1.05 0.00 0.00 178.16 177.90 3iwk h LEU 78 N 0.37 0.88 -0.68 3.88 3.38 -0.88 0.75 115.31 123.02 3iwk h LEU 78 Ca 0.11 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.95 3iwk h LEU 78 Cb 0.19 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 3iwk h LEU 78 CO -0.01 0.68 0.16 0.03 0.09 0.00 0.00 178.44 179.40 3iwk h ARG 79 N 1.00 1.09 -0.69 1.13 3.08 -0.95 -0.19 114.38 118.85 3iwk h ARG 79 Ca 0.26 -0.26 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 3iwk h ARG 79 Cb -0.04 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 29.84 3iwk h ARG 79 CO -0.05 0.97 0.15 0.00 -1.07 0.00 0.00 179.97 179.97 3iwk h ALA 80 N 1.07 0.97 -0.16 0.04 0.00 -0.54 -1.52 119.26 119.13 3iwk h ALA 80 Ca 0.21 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3iwk h ALA 80 Cb 0.37 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3iwk h ALA 80 CO 0.00 0.66 0.04 0.82 0.00 0.00 0.00 179.25 180.78 3iwk h ILE 81 N 1.05 1.19 -0.42 0.00 2.04 -0.67 -2.55 117.51 118.15 3iwk h ILE 81 Ca 0.21 -0.60 0.09 0.00 1.00 0.00 0.00 64.86 65.56 3iwk h ILE 81 Cb 0.39 1.30 -0.09 0.00 -0.74 0.00 0.00 36.82 37.68 3iwk h ILE 81 CO 0.00 0.18 -0.16 0.00 0.00 0.00 0.00 178.15 178.17 3iwk h ALA 82 N 0.85 0.17 -0.99 1.87 0.00 -0.85 -1.59 119.26 118.73 3iwk h ALA 82 Ca 0.05 0.15 0.03 0.00 0.00 0.00 0.00 54.91 55.14 3iwk h ALA 82 Cb 0.24 0.42 -0.05 0.00 0.00 0.00 0.00 17.79 18.40 3iwk h ALA 82 CO -0.00 -0.52 0.65 0.00 0.00 0.00 0.00 179.25 179.38 3iwk h ALA 83 N 1.26 1.29 -0.34 0.00 0.00 -1.21 -1.27 119.26 119.00 3iwk h ALA 83 Ca 0.20 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 3iwk h ALA 83 Cb 0.39 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3iwk h ALA 83 CO -0.47 0.58 0.13 0.87 0.00 0.00 0.00 179.25 180.36 3iwk h LYS 84 N 1.28 0.50 -0.20 0.00 1.79 -0.98 -2.08 116.57 116.89 3iwk h LYS 84 Ca 0.38 -0.09 0.04 0.00 -2.18 0.00 0.00 60.65 58.80 3iwk h LYS 84 Cb -0.06 -0.08 -0.03 0.00 -1.58 0.00 0.00 32.23 30.48 3iwk h LYS 84 CO -0.11 0.50 -0.02 0.82 -1.08 0.00 0.00 179.45 179.56 3iwk h ILE 85 N 0.39 0.83 -0.90 1.86 1.08 -0.96 -2.83 117.51 116.99 3iwk h ILE 85 Ca 0.11 -0.01 0.06 0.00 -0.39 0.00 0.00 64.86 64.63 3iwk h ILE 85 Cb 0.19 0.79 -0.06 0.00 -3.07 0.00 0.00 36.82 34.67 3iwk h ILE 85 CO -0.01 0.01 0.59 0.50 -0.69 0.00 0.00 178.15 178.55 3iwk h LYS 86 N 0.04 1.01 -0.44 2.37 3.64 -1.12 0.45 116.57 122.51 3iwk h LYS 86 Ca 0.10 -0.06 0.02 0.00 -1.27 0.00 0.00 60.65 59.44 3iwk h LYS 86 Cb 0.13 -0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 31.69 3iwk h LYS 86 CO -0.18 0.67 0.25 0.93 -2.27 0.00 0.00 179.45 178.85 3iwk h GLU 87 N 1.04 0.49 -0.47 1.90 5.08 -1.18 -3.24 114.58 118.19 3iwk h GLU 87 Ca 0.38 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 3iwk h GLU 87 Cb 0.17 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.31 3iwk h GLU 87 CO -0.14 0.32 0.00 1.63 -1.00 0.00 0.00 179.01 179.82 3iwk n LYS 88 N -4.86 4.17 -0.33 2.33 5.02 -0.42 -4.68 118.16 119.40 3iwk n LYS 88 Ca 0.02 -3.04 -0.02 0.00 -2.02 0.00 0.00 58.31 53.25 3iwk n LYS 88 Cb 0.08 -2.10 0.10 0.00 -0.02 0.00 0.00 35.03 33.09 3iwk n LYS 88 CO 0.00 0.00 0.00 1.57 -0.52 0.00 0.00 177.40 178.45 3iwk h LYS 89 N 3.24 1.15 -0.60 1.97 5.09 -1.00 0.10 116.57 126.52 3iwk h LYS 89 Ca 0.00 -0.07 -0.10 0.00 0.09 0.00 0.00 60.65 60.57 3iwk h LYS 89 Cb 1.77 -0.26 -0.02 0.00 0.10 0.00 0.00 32.23 33.82 3iwk h LYS 89 CO 0.39 0.76 -0.01 -0.44 -2.09 0.00 0.00 179.45 178.06 3iwk h ASP 90 N 1.18 1.05 -0.24 7.07 3.32 -1.87 0.98 116.42 127.91 3iwk h ASP 90 Ca 0.34 -0.30 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 3iwk h ASP 90 Cb -0.08 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.18 3iwk h ASP 90 CO -0.09 1.10 0.06 -0.08 -1.72 0.00 0.00 179.24 178.51 3iwk h GLU 91 N 0.97 0.39 -0.07 3.56 4.57 -1.71 -2.39 114.58 119.91 3iwk h GLU 91 Ca 0.17 -0.09 -0.13 0.00 -1.18 0.00 0.00 59.36 58.13 3iwk h GLU 91 Cb 0.57 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.10 3iwk h GLU 91 CO 0.03 0.49 -0.54 -0.07 -1.18 0.00 0.00 179.01 177.75 3iwk h LEU 92 N 0.21 0.21 -0.44 1.64 3.38 -0.69 -2.35 115.31 117.27 3iwk h LEU 92 Ca 0.08 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3iwk h LEU 92 Cb 0.28 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3iwk h LEU 92 CO 0.00 0.71 0.24 1.23 0.09 0.00 0.00 178.44 180.71 3iwk h GLY 93 N 1.44 0.65 0.98 0.83 0.00 -0.78 -0.27 103.07 105.93 3iwk h GLY 93 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.03 3iwk h GLY 93 CO 0.08 0.29 0.11 1.70 0.00 0.00 0.00 176.54 178.72 3iwk h LYS 94 N 0.57 0.24 -0.80 4.80 3.64 -1.21 -1.66 116.57 122.15 3iwk h LYS 94 Ca 0.15 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.53 3iwk h LYS 94 Cb 0.05 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 31.78 3iwk h LYS 94 CO -0.02 0.18 0.52 -0.07 -2.27 0.00 0.00 179.45 177.79 3iwk h LEU 95 N 0.22 0.89 -0.76 5.20 4.07 -1.34 -2.46 115.31 121.14 3iwk h LEU 95 Ca 0.06 -0.02 -0.02 0.00 0.08 0.00 0.00 57.88 57.99 3iwk h LEU 95 Cb 0.00 -0.21 -0.04 0.00 1.08 0.00 0.00 40.66 41.49 3iwk h LEU 95 CO -0.01 0.64 0.40 -0.08 -1.08 0.00 0.00 178.44 178.31 3iwk h GLU 96 N 1.05 1.06 -0.18 1.13 4.57 -0.66 -0.07 114.58 121.48 3iwk h GLU 96 Ca 0.30 -0.13 -0.02 0.00 -1.18 0.00 0.00 59.36 58.33 3iwk h GLU 96 Cb -0.08 -0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 28.30 3iwk h GLU 96 CO -0.08 0.79 0.04 0.77 -1.18 0.00 0.00 179.01 179.36 3iwk h SER 97 N 1.05 0.28 -0.80 1.04 0.02 -1.11 -1.16 113.55 112.85 3iwk h SER 97 Ca 0.26 -0.23 0.01 0.00 -0.84 0.00 0.00 61.79 60.99 3iwk h SER 97 Cb 0.05 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 62.48 3iwk h SER 97 CO -0.04 0.44 0.53 0.40 -1.14 0.00 0.00 176.83 177.01 3iwk h ILE 98 N 0.10 1.20 0.02 3.27 2.04 -1.23 0.18 117.51 123.10 3iwk h ILE 98 Ca 0.06 -0.37 -0.00 0.00 1.00 0.00 0.00 64.86 65.55 3iwk h ILE 98 Cb 0.27 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.37 3iwk h ILE 98 CO 0.00 0.20 -0.01 -0.78 0.00 0.00 0.00 178.15 177.56 3iwk h ASP 99 N 1.08 -0.03 0.00 1.72 3.58 -0.87 -3.39 116.42 118.51 3iwk h ASP 99 Ca 0.30 -0.45 -0.01 0.00 0.42 0.00 0.00 57.03 57.28 3iwk h ASP 99 Cb -0.11 0.01 -0.00 0.00 1.72 0.00 0.00 39.33 40.94 3iwk h ASP 99 CO -0.07 0.44 -1.79 0.00 -2.88 0.00 0.00 179.24 174.95 3iwk n GLY 101 N 1.57 0.72 3.79 0.00 0.00 0.64 -4.41 105.19 107.50 3iwk n GLY 101 Ca -0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 3iwk n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iwk s LYS 102 N -0.77 4.06 0.41 1.61 -2.85 -1.25 -3.67 119.74 117.28 3iwk s LYS 102 Ca 0.00 1.38 -0.23 0.00 -1.00 0.00 0.00 55.97 56.12 3iwk s LYS 102 Cb 0.00 -2.33 -0.12 0.00 -2.06 0.00 0.00 37.83 33.32 3iwk s LYS 102 CO 0.00 -0.21 0.67 -2.30 0.10 0.00 0.00 175.35 173.61 3iwk n PRO 103 N -0.46 0.75 -0.37 1.78 -0.02 -1.26 -4.56 135.00 130.86 3iwk n PRO 103 Ca 0.07 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 3iwk n PRO 103 Cb 0.51 -1.63 0.14 0.00 -0.02 0.00 0.00 33.50 32.50 3iwk n PRO 103 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3iwk h LEU 104 N 0.99 1.10 -1.66 2.45 5.85 -0.94 -1.35 115.31 121.75 3iwk h LEU 104 Ca -0.41 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.27 3iwk h LEU 104 Cb 1.38 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 42.16 3iwk h LEU 104 CO 0.53 0.75 -0.15 -0.33 -0.34 0.00 0.00 178.44 178.90 3iwk h GLU 105 N 1.27 0.00 -0.04 1.25 5.08 -1.89 0.23 114.58 120.48 3iwk h GLU 105 Ca 0.40 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.71 3iwk h GLU 105 Cb -0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3iwk h GLU 105 CO -0.12 0.15 -0.17 0.93 -1.00 0.00 0.00 179.01 178.80 3iwk h GLU 106 N 0.00 0.19 -0.69 2.33 5.08 -1.61 -2.43 114.58 117.44 3iwk h GLU 106 Ca -0.00 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 3iwk h GLU 106 Cb 0.47 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.72 3iwk h GLU 106 CO 0.02 0.79 0.40 0.00 -1.00 0.00 0.00 179.01 179.22 3iwk h ALA 107 N 0.40 0.88 -0.85 3.43 0.00 -0.90 0.07 119.26 122.29 3iwk h ALA 107 Ca -0.01 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.83 3iwk h ALA 107 Cb 0.81 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 3iwk h ALA 107 CO 0.04 0.37 0.56 -0.07 0.00 0.00 0.00 179.25 180.14 3iwk h LEU 108 N 0.94 0.94 -0.85 0.00 4.07 -0.64 -1.49 115.31 118.28 3iwk h LEU 108 Ca 0.25 -0.01 -0.09 0.00 0.08 0.00 0.00 57.88 58.10 3iwk h LEU 108 Cb -0.01 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 41.49 3iwk h LEU 108 CO -0.04 0.66 -0.16 0.00 -1.08 0.00 0.00 178.44 177.81 3iwk h ALA 109 N 1.34 1.03 -0.82 1.53 0.00 -0.99 -2.73 119.26 118.61 3iwk h ALA 109 Ca 0.33 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.93 3iwk h ALA 109 Cb -0.05 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.54 3iwk h ALA 109 CO -0.10 0.58 0.53 -0.44 0.00 0.00 0.00 179.25 179.83 3iwk h ASP 110 N 0.60 0.90 0.04 0.00 3.45 -0.23 -2.39 116.42 118.79 3iwk h ASP 110 Ca 0.10 -0.01 -0.11 0.00 0.43 0.00 0.00 57.03 57.44 3iwk h ASP 110 Cb 0.62 -0.21 -0.01 0.00 -0.56 0.00 0.00 39.33 39.17 3iwk h ASP 110 CO 0.04 0.63 -0.34 -0.07 -1.57 0.00 0.00 179.24 177.93 3iwk h LEU 111 N 1.05 0.44 -0.78 1.55 4.07 -1.08 0.14 115.31 120.70 3iwk h LEU 111 Ca 0.31 -0.17 0.01 0.00 0.08 0.00 0.00 57.88 58.11 3iwk h LEU 111 Cb -0.05 -0.12 -0.04 0.00 1.08 0.00 0.00 40.66 41.53 3iwk h LEU 111 CO -0.09 0.75 0.52 0.44 -1.08 0.00 0.00 178.44 178.98 3iwk h ASP 112 N 0.36 0.89 0.31 -0.43 3.45 -1.28 -1.86 116.42 117.87 3iwk h ASP 112 Ca 0.04 -0.02 -0.13 0.00 0.43 0.00 0.00 57.03 57.35 3iwk h ASP 112 Cb 0.77 -0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 39.31 3iwk h ASP 112 CO 0.06 0.64 -0.54 0.44 -1.57 0.00 0.00 179.24 178.27 3iwk h ASP 113 N 1.05 0.27 -0.05 6.45 3.32 -0.86 -2.14 116.42 124.45 3iwk h ASP 113 Ca 0.29 -0.14 -0.00 0.00 0.02 0.00 0.00 57.03 57.20 3iwk h ASP 113 Cb -0.10 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.37 3iwk h ASP 113 CO -0.07 0.76 0.03 0.58 -1.72 0.00 0.00 179.24 178.82 3iwk h VAL 114 N 0.19 1.07 -0.49 -1.35 2.07 -0.48 -0.71 116.25 116.54 3iwk h VAL 114 Ca 0.00 -0.19 0.02 0.00 0.82 0.00 0.00 66.70 67.35 3iwk h VAL 114 Cb 1.01 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.85 3iwk h VAL 114 CO 0.08 0.06 0.30 0.58 0.02 0.00 0.00 177.57 178.61 3iwk h VAL 115 N 0.01 1.05 -0.00 2.57 2.07 -1.24 -2.18 116.25 118.53 3iwk h VAL 115 Ca 0.02 -0.20 -0.11 0.00 0.82 0.00 0.00 66.70 67.23 3iwk h VAL 115 Cb 0.07 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 3iwk h VAL 115 CO -0.00 0.11 -0.50 0.00 0.02 0.00 0.00 177.57 177.20 3iwk h ALA 116 N 1.22 1.17 -0.33 1.67 0.00 -1.32 -1.92 119.26 119.76 3iwk h ALA 116 Ca 0.20 -0.45 -0.08 0.00 0.00 0.00 0.00 54.91 54.58 3iwk h ALA 116 Cb 0.01 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3iwk h ALA 116 CO -0.09 0.62 -0.10 0.00 0.00 0.00 0.00 179.25 179.69 3iwk h PHE 118 N 0.42 0.84 -0.79 0.00 0.04 -1.28 -2.34 116.94 113.83 3iwk h PHE 118 Ca 0.08 -0.13 0.01 0.00 2.80 0.00 0.00 57.97 60.73 3iwk h PHE 118 Cb 0.60 -0.22 -0.04 0.00 2.20 0.00 0.00 35.95 38.48 3iwk h PHE 118 CO 0.05 0.80 0.52 0.93 -0.60 0.00 0.00 178.31 180.01 3iwk h GLU 119 N 0.63 1.02 -0.32 1.51 5.08 -1.28 -0.66 114.58 120.57 3iwk h GLU 119 Ca 0.13 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.38 3iwk h GLU 119 Cb 0.44 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 3iwk h GLU 119 CO 0.02 0.68 -0.01 -0.92 -1.00 0.00 0.00 179.01 177.77 3iwk h TYR 120 N 1.05 0.62 0.00 4.33 3.20 -0.87 -2.72 116.97 122.58 3iwk h TYR 120 Ca 0.29 -0.11 -0.07 0.00 3.14 0.00 0.00 58.73 61.98 3iwk h TYR 120 Cb -0.10 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.00 3iwk h TYR 120 CO -0.02 0.69 -0.33 1.88 -1.64 0.00 0.00 178.16 178.75 3iwk h TYR 121 N 0.36 0.00 -0.56 -3.82 -1.99 -1.31 -2.49 116.97 107.16 3iwk h TYR 121 Ca 0.09 0.00 0.04 0.00 2.00 0.00 0.00 58.73 60.86 3iwk h TYR 121 Cb 0.45 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 39.14 3iwk h TYR 121 CO 0.04 0.33 0.31 0.00 -0.00 0.00 0.00 178.16 178.84 3iwk h ALA 122 N 1.67 0.73 -0.48 3.88 0.00 -1.01 -0.18 119.26 123.87 3iwk h ALA 122 Ca -0.00 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3iwk h ALA 122 Cb 1.02 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 3iwk h ALA 122 CO 0.04 -0.00 0.25 0.78 0.00 0.00 0.00 179.25 180.33 3iwk h GLY 123 N 0.61 0.73 1.63 0.00 0.00 -1.14 -2.31 103.07 102.58 3iwk h GLY 123 Ca 0.24 -0.34 -0.07 0.00 0.00 0.00 0.00 47.33 47.16 3iwk h GLY 123 CO -0.14 0.32 -0.15 1.41 0.00 0.00 0.00 176.54 177.99 3iwk h LEU 124 N 0.64 0.43 -0.08 3.11 4.07 -1.28 -2.08 115.31 120.11 3iwk h LEU 124 Ca 0.17 -0.11 0.01 0.00 0.08 0.00 0.00 57.88 58.02 3iwk h LEU 124 Cb 0.07 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 41.69 3iwk h LEU 124 CO -0.03 0.61 0.03 0.00 -1.08 0.00 0.00 178.44 177.98 3iwk h ALA 125 N 1.44 0.09 -0.85 1.53 0.00 -0.72 -1.89 119.26 118.87 3iwk h ALA 125 Ca 0.08 0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.05 3iwk h ALA 125 Cb 0.50 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 3iwk h ALA 125 CO 0.03 -0.43 0.55 0.93 0.00 0.00 0.00 179.25 180.33 3iwk h GLU 126 N 0.08 0.93 0.00 0.00 5.08 -1.14 -2.46 114.58 117.07 3iwk h GLU 126 Ca 0.03 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3iwk h GLU 126 Cb 0.01 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.05 3iwk h GLU 126 CO -0.03 0.62 0.00 0.93 -1.00 0.00 0.00 179.01 179.53 3iwk h GLU 127 N 0.96 0.00 -0.02 2.33 5.08 -1.09 -3.33 114.58 118.51 3iwk h GLU 127 Ca 0.36 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.62 3iwk h GLU 127 Cb 0.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 3iwk h GLU 127 CO -0.13 0.00 -0.45 1.25 -1.00 0.00 0.00 179.01 178.68 3iwk h LEU 128 N 0.00 0.05 -0.83 1.33 5.85 -0.85 -2.91 115.31 117.96 3iwk h LEU 128 Ca 0.00 -0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.63 3iwk h LEU 128 Cb 0.67 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.66 3iwk h LEU 128 CO 0.00 0.50 0.09 0.44 -0.34 0.00 0.00 178.44 179.13 3iwk h ASP 129 N 0.04 0.92 1.06 1.25 3.32 -1.72 -2.49 116.42 118.80 3iwk h ASP 129 Ca -0.00 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 56.84 3iwk h ASP 129 Cb 0.82 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.12 3iwk h ASP 129 CO 0.06 0.93 0.00 0.77 -1.72 0.00 0.00 179.24 179.28 3iwk h SER 130 N 0.91 0.00 0.72 6.45 4.64 -1.75 -2.80 113.55 121.72 3iwk h SER 130 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 3iwk h SER 130 Cb 0.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 3iwk h SER 130 CO 0.01 0.00 -0.30 0.29 -0.87 0.00 0.00 176.83 175.96 3iwk n LYS 131 N -2.55 0.01 -2.38 4.77 5.02 -0.94 -4.89 118.16 117.19 3iwk n LYS 131 Ca 0.02 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.93 3iwk n LYS 131 Cb 0.31 -1.51 -0.03 0.00 -0.02 0.00 0.00 35.03 33.78 3iwk n LYS 131 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3iwk s GLN 132 N -3.01 4.36 -1.29 1.97 -1.52 -1.06 -3.57 119.66 115.55 3iwk s GLN 132 Ca 0.12 1.84 -0.06 0.00 -1.95 0.00 0.00 55.36 55.31 3iwk s GLN 132 Cb 0.18 -2.93 0.01 0.00 -0.22 0.00 0.00 33.01 30.04 3iwk s GLN 132 CO 0.63 -0.05 0.74 1.63 -0.25 0.00 0.00 175.29 177.99 3iwk n LYS 133 N 0.63 -5.38 -2.14 2.91 5.02 -0.42 -4.96 118.16 113.83 3iwk n LYS 133 Ca 0.01 0.76 -0.42 0.00 -2.02 0.00 0.00 58.31 56.65 3iwk n LYS 133 Cb 0.45 -5.42 -0.03 0.00 -0.02 0.00 0.00 35.03 30.01 3iwk n LYS 133 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3iwk s ALA 134 N -3.17 3.62 0.54 7.82 0.00 -1.21 -4.70 121.76 124.66 3iwk s ALA 134 Ca 0.37 0.89 -0.21 0.00 0.00 0.00 0.00 51.96 53.00 3iwk s ALA 134 Cb -0.16 -3.66 -0.05 0.00 0.00 0.00 0.00 23.12 19.25 3iwk s ALA 134 CO 0.45 -1.12 1.27 -1.25 0.00 0.00 0.00 175.76 175.11 3iwk s PRO 135 N 3.07 3.22 -0.20 0.00 0.04 -1.26 -2.18 135.00 137.69 3iwk s PRO 135 Ca 0.67 2.02 -0.01 0.00 0.04 0.00 0.00 61.00 63.71 3iwk s PRO 135 Cb -0.32 -2.19 0.01 0.00 0.04 0.00 0.00 34.50 32.03 3iwk s PRO 135 CO 0.27 -1.06 -0.12 0.42 0.04 0.00 0.00 177.00 176.55 3iwk s ILE 136 N -1.43 2.71 -0.11 0.56 -1.09 0.82 -4.91 121.20 117.75 3iwk s ILE 136 Ca 0.72 -0.72 -0.30 0.00 -2.23 0.00 0.00 60.65 58.12 3iwk s ILE 136 Cb -0.35 -2.20 -0.03 0.00 -1.58 0.00 0.00 42.46 38.31 3iwk s ILE 136 CO 0.41 0.48 1.27 -0.55 -1.23 0.00 0.00 174.94 175.31 3iwk s SER 137 N 1.38 6.96 0.09 3.58 0.15 -1.26 -4.25 113.70 120.35 3iwk s SER 137 Ca 0.05 1.79 0.06 0.00 0.70 0.00 0.00 55.95 58.56 3iwk s SER 137 Cb -0.14 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.59 3iwk s SER 137 CO -0.08 -0.71 -0.08 -0.76 1.20 0.00 0.00 173.24 172.82 3iwk s LEU 138 N 3.00 3.14 -0.09 3.45 1.43 -1.26 -5.02 118.68 123.33 3iwk s LEU 138 Ca 0.57 -0.31 0.03 0.00 -1.03 0.00 0.00 54.13 53.38 3iwk s LEU 138 Cb -0.24 -1.91 0.20 0.00 0.03 0.00 0.00 46.19 44.27 3iwk s LEU 138 CO 0.19 0.19 1.01 -0.81 0.23 0.00 0.00 176.35 177.16 3iwk n PRO 139 N 0.80 1.72 -4.26 1.29 -0.04 -1.26 -4.84 135.00 128.41 3iwk n PRO 139 Ca -0.13 -0.82 -0.21 0.00 -0.04 0.00 0.00 63.50 62.31 3iwk n PRO 139 Cb 0.52 -1.53 -0.12 0.00 -0.04 0.00 0.00 33.50 32.33 3iwk n PRO 139 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 3iwk s MET 140 N -1.20 0.97 0.11 0.54 -1.94 -1.26 -5.03 119.30 111.48 3iwk s MET 140 Ca 0.15 -0.99 0.08 0.00 -1.71 0.00 0.00 55.69 53.21 3iwk s MET 140 Cb 0.12 -1.07 -0.20 0.00 2.01 0.00 0.00 34.83 35.69 3iwk s MET 140 CO 0.04 0.25 1.23 -0.44 -0.01 0.00 0.00 175.02 176.08 3iwk h ASP 141 N 4.35 0.00 1.60 3.03 3.45 -2.04 -3.36 116.42 123.45 3iwk h ASP 141 Ca -0.42 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.04 3iwk h ASP 141 Cb 1.18 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.95 3iwk h ASP 141 CO 0.41 0.98 -0.01 0.71 -1.57 0.00 0.00 179.24 179.76 3iwk h THR 142 N 0.00 0.00 -4.09 0.35 1.35 -1.96 -3.46 112.91 105.11 3iwk h THR 142 Ca -0.04 -0.61 -0.61 0.00 -0.55 0.00 0.00 66.41 64.61 3iwk h THR 142 Cb 1.78 1.60 -0.24 0.00 -1.73 0.00 0.00 68.15 69.56 3iwk h THR 142 CO 0.12 0.00 -0.85 -0.36 -0.25 0.00 0.00 175.52 174.18 3iwk s PHE 143 N -3.13 1.96 0.03 4.73 0.40 -1.26 -0.29 117.98 120.42 3iwk s PHE 143 Ca 0.10 -0.39 0.04 0.00 -0.60 0.00 0.00 56.93 56.07 3iwk s PHE 143 Cb 0.10 -1.13 -0.02 0.00 0.51 0.00 0.00 43.02 42.49 3iwk s PHE 143 CO 0.62 0.17 -0.12 0.21 0.70 0.00 0.00 175.22 176.80 3iwk s LYS 144 N -1.52 0.81 -0.08 0.44 2.20 -0.18 -4.83 119.74 116.57 3iwk s LYS 144 Ca 0.09 -0.63 -0.06 0.00 -0.36 0.00 0.00 55.97 55.00 3iwk s LYS 144 Cb -0.10 -0.78 0.03 0.00 -1.51 0.00 0.00 37.83 35.48 3iwk s LYS 144 CO 0.03 0.19 0.21 0.45 -0.36 0.00 0.00 175.35 175.88 3iwk s SER 145 N -0.94 -0.22 0.28 1.43 0.15 -1.26 -0.04 113.70 113.10 3iwk s SER 145 Ca 0.00 0.44 -0.03 0.00 0.70 0.00 0.00 55.95 57.07 3iwk s SER 145 Cb -0.07 0.40 -0.02 0.00 -1.71 0.00 0.00 66.02 64.63 3iwk s SER 145 CO 0.01 -0.10 0.35 -0.72 1.20 0.00 0.00 173.24 173.97 3iwk s TYR 146 N 0.49 1.05 -0.03 3.44 -0.85 -0.41 -0.13 117.35 120.91 3iwk s TYR 146 Ca -0.03 -1.26 0.07 0.00 -0.52 0.00 0.00 57.07 55.34 3iwk s TYR 146 Cb -0.05 -0.26 -0.02 0.00 0.38 0.00 0.00 41.96 42.02 3iwk s TYR 146 CO -0.02 -0.93 -0.25 0.96 -1.52 0.00 0.00 175.55 173.79 3iwk s ILE 147 N -3.63 2.11 -0.02 -3.49 -4.36 -0.93 -0.63 121.20 110.26 3iwk s ILE 147 Ca 0.33 -1.08 0.00 0.00 -0.26 0.00 0.00 60.65 59.64 3iwk s ILE 147 Cb 0.02 -1.74 -0.04 0.00 1.25 0.00 0.00 42.46 41.96 3iwk s ILE 147 CO 0.17 0.58 0.03 -0.76 0.24 0.00 0.00 174.94 175.20 3iwk s LEU 148 N -0.51 3.68 -0.40 0.37 1.43 0.12 -1.30 118.68 122.08 3iwk s LEU 148 Ca 0.07 0.08 -0.02 0.00 -1.03 0.00 0.00 54.13 53.23 3iwk s LEU 148 Cb -0.11 -2.07 0.11 0.00 0.03 0.00 0.00 46.19 44.14 3iwk s LEU 148 CO 0.00 0.30 0.19 -0.54 0.23 0.00 0.00 176.35 176.52 3iwk s LYS 149 N -1.50 1.97 0.21 1.70 1.02 -1.26 -1.21 119.74 120.66 3iwk s LYS 149 Ca 0.20 -1.81 0.04 0.00 0.02 0.00 0.00 55.97 54.42 3iwk s LYS 149 Cb -0.12 -3.54 -0.03 0.00 -0.52 0.00 0.00 37.83 33.62 3iwk s LYS 149 CO 0.10 -1.05 0.33 -1.21 -0.92 0.00 0.00 175.35 172.60 3iwk s GLU 150 N 1.12 3.44 0.44 1.68 2.02 -0.82 -4.90 118.70 121.68 3iwk s GLU 150 Ca 0.08 -0.70 -0.24 0.00 0.02 0.00 0.00 54.97 54.13 3iwk s GLU 150 Cb -0.22 -2.92 -0.08 0.00 0.10 0.00 0.00 34.13 31.01 3iwk s GLU 150 CO -0.04 0.46 1.19 -1.25 0.02 0.00 0.00 175.26 175.64 3iwk s PRO 151 N -3.70 3.84 0.53 0.39 0.04 -1.25 -0.83 135.00 134.03 3iwk s PRO 151 Ca 0.34 1.85 0.28 0.00 0.04 0.00 0.00 61.00 63.51 3iwk s PRO 151 Cb -0.10 -2.52 1.50 0.00 0.04 0.00 0.00 34.50 33.42 3iwk s PRO 151 CO 0.29 -0.50 2.09 0.97 0.04 0.00 0.00 177.00 179.89 3iwk h ILE 152 N 2.05 0.53 0.00 0.56 6.09 -1.72 -3.42 117.51 121.61 3iwk h ILE 152 Ca -0.49 -0.47 0.00 0.00 -1.37 0.00 0.00 64.86 62.52 3iwk h ILE 152 Cb 1.25 1.31 0.00 0.00 0.47 0.00 0.00 36.82 39.85 3iwk h ILE 152 CO 0.61 0.10 0.00 0.61 -3.07 0.00 0.00 178.15 176.40 3iwk n GLY 153 N -0.73 0.65 3.63 8.18 0.00 -1.26 -4.86 105.19 110.80 3iwk n GLY 153 Ca -0.02 -1.04 -0.38 0.00 0.00 0.00 0.00 46.02 44.58 3iwk n GLY 153 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iwk s VAL 154 N 0.00 5.27 -0.07 1.61 1.01 -1.26 -2.00 120.40 124.97 3iwk s VAL 154 Ca 0.00 0.37 0.04 0.00 0.00 0.00 0.00 61.98 62.40 3iwk s VAL 154 Cb 0.00 -3.60 -0.02 0.00 0.00 0.00 0.00 36.38 32.76 3iwk s VAL 154 CO 0.00 0.26 -0.20 0.68 0.00 0.00 0.00 175.10 175.83 3iwk s VAL 155 N 1.55 2.49 -0.24 2.92 -7.23 -0.14 0.16 120.40 119.90 3iwk s VAL 155 Ca 0.11 -0.91 -0.13 0.00 -1.81 0.00 0.00 61.98 59.24 3iwk s VAL 155 Cb -0.15 -1.95 -0.04 0.00 0.56 0.00 0.00 36.38 34.80 3iwk s VAL 155 CO 0.08 0.57 0.28 0.00 -0.31 0.00 0.00 175.10 175.72 3iwk s ALA 156 N -0.23 3.57 -0.28 1.32 0.00 0.71 -1.16 121.76 125.69 3iwk s ALA 156 Ca -0.01 -0.81 0.01 0.00 0.00 0.00 0.00 51.96 51.15 3iwk s ALA 156 Cb -0.13 -2.53 0.06 0.00 0.00 0.00 0.00 23.12 20.52 3iwk s ALA 156 CO 0.03 -0.39 -0.05 -0.51 0.00 0.00 0.00 175.76 174.83 3iwk s LEU 157 N 1.49 3.70 -0.23 0.00 1.02 0.18 -0.57 118.68 124.26 3iwk s LEU 157 Ca 0.12 -1.36 -0.02 0.00 0.02 0.00 0.00 54.13 52.89 3iwk s LEU 157 Cb -0.15 -1.63 0.01 0.00 0.02 0.00 0.00 46.19 44.44 3iwk s LEU 157 CO 0.08 -0.23 -0.07 -0.63 0.02 0.00 0.00 176.35 175.52 3iwk s ILE 158 N 1.17 3.00 0.08 -0.59 1.01 -0.59 -0.10 121.20 125.19 3iwk s ILE 158 Ca -0.07 -0.78 0.07 0.00 0.00 0.00 0.00 60.65 59.87 3iwk s ILE 158 Cb -0.20 -2.43 -0.03 0.00 0.01 0.00 0.00 42.46 39.81 3iwk s ILE 158 CO -0.03 0.33 -0.19 0.42 0.00 0.00 0.00 174.94 175.47 3iwk s THR 159 N 1.39 1.57 0.68 2.92 -4.23 -1.01 -2.10 115.64 114.87 3iwk s THR 159 Ca 0.03 -1.42 -0.04 0.00 -1.18 0.00 0.00 61.69 59.08 3iwk s THR 159 Cb -0.15 -1.43 0.07 0.00 1.34 0.00 0.00 72.50 72.33 3iwk s THR 159 CO -0.05 -0.04 0.97 -2.16 -0.54 0.00 0.00 174.62 172.80 3iwk s PRO 160 N -1.73 2.10 0.00 3.99 0.04 -1.23 -2.25 135.00 135.92 3iwk s PRO 160 Ca 0.05 -0.53 0.25 0.00 0.04 0.00 0.00 61.00 60.81 3iwk s PRO 160 Cb -0.10 -2.25 0.55 0.00 0.04 0.00 0.00 34.50 32.74 3iwk s PRO 160 CO 0.03 -1.21 1.44 -2.67 0.04 0.00 0.00 177.00 174.63 3iwk n TRP 161 N -2.82 0.00 0.13 0.56 4.27 -1.26 -4.10 117.44 114.23 3iwk n TRP 161 Ca 0.10 0.00 -0.24 0.00 -3.89 0.00 0.00 57.50 53.46 3iwk n TRP 161 Cb 0.60 -0.08 -0.15 0.00 -1.36 0.00 0.00 31.31 30.32 3iwk n TRP 161 CO 0.00 0.00 0.00 -2.95 -2.29 0.00 0.00 177.69 172.45 3iwk h ASN 162 N 1.71 0.85 -2.18 -0.67 -1.07 -1.95 -3.35 115.58 108.92 3iwk h ASN 162 Ca 0.00 -0.89 -0.59 0.00 0.07 0.00 0.00 56.30 54.89 3iwk h ASN 162 Cb 0.59 -0.28 -0.42 0.00 -2.07 0.00 0.00 38.32 36.15 3iwk h ASN 162 CO 0.00 1.68 -0.67 -1.22 0.07 0.00 0.00 177.43 177.28 3iwk n TYR 163 N -3.76 3.15 -0.06 4.14 4.01 -1.26 -4.99 117.16 118.39 3iwk n TYR 163 Ca -0.16 -4.06 -0.13 0.00 -0.16 0.00 0.00 57.90 53.39 3iwk n TYR 163 Cb 1.07 -0.52 -0.08 0.00 -0.31 0.00 0.00 39.34 39.50 3iwk n TYR 163 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 3iwk h PRO 164 N 3.95 -0.45 0.05 -0.72 0.11 -1.71 0.11 132.00 133.35 3iwk h PRO 164 Ca 0.17 0.03 -0.27 0.00 0.11 0.00 0.00 66.00 66.04 3iwk h PRO 164 Cb 0.67 0.10 0.02 0.00 0.11 0.00 0.00 31.00 31.90 3iwk h PRO 164 CO 0.78 -0.30 -1.10 0.35 -0.21 0.00 0.00 178.00 177.52 3iwk h PHE 165 N -0.47 0.89 -0.30 0.65 3.57 -1.91 -3.14 116.94 116.24 3iwk h PHE 165 Ca 0.08 -0.52 -0.07 0.00 3.53 0.00 0.00 57.97 60.98 3iwk h PHE 165 Cb 0.63 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.28 3iwk h PHE 165 CO -0.60 1.36 -0.10 1.25 -2.23 0.00 0.00 178.31 177.99 3iwk h LEU 166 N 0.30 0.61 -0.53 0.59 5.85 -1.77 -1.51 115.31 118.83 3iwk h LEU 166 Ca -0.14 -0.38 -0.02 0.00 0.84 0.00 0.00 57.88 58.18 3iwk h LEU 166 Cb 1.76 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 42.60 3iwk h LEU 166 CO 0.21 0.85 0.25 0.24 -0.34 0.00 0.00 178.44 179.64 3iwk h MET 167 N 0.36 0.77 -0.53 1.25 2.86 -0.90 0.18 114.93 118.92 3iwk h MET 167 Ca 0.07 -0.12 0.06 0.00 -2.06 0.00 0.00 59.70 57.65 3iwk h MET 167 Cb 0.60 -0.14 -0.05 0.00 0.06 0.00 0.00 31.60 32.07 3iwk h MET 167 CO 0.03 0.65 0.24 0.00 1.06 0.00 0.00 176.91 178.89 3iwk h ALA 168 N 1.08 0.67 -0.60 6.32 0.00 -1.49 -2.48 119.26 122.76 3iwk h ALA 168 Ca 0.18 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 3iwk h ALA 168 Cb 0.14 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 3iwk h ALA 168 CO -0.02 -0.13 0.33 1.15 0.00 0.00 0.00 179.25 180.58 3iwk h THR 169 N 0.46 1.20 -0.41 0.00 2.02 -0.56 0.11 112.91 115.72 3iwk h THR 169 Ca 0.24 -0.50 0.12 0.00 0.77 0.00 0.00 66.41 67.05 3iwk h THR 169 Cb 0.21 0.42 -0.02 0.00 -1.74 0.00 0.00 68.15 67.02 3iwk h THR 169 CO -0.20 0.21 0.44 -0.50 0.37 0.00 0.00 175.52 175.84 3iwk h TRP 170 N 0.82 0.00 0.00 3.16 4.06 -0.21 -2.09 115.95 121.69 3iwk h TRP 170 Ca 0.21 0.00 -0.44 0.00 2.06 0.00 0.00 58.89 60.72 3iwk h TRP 170 Cb 0.05 0.00 -0.07 0.00 -1.00 0.00 0.00 29.16 28.14 3iwk h TRP 170 CO -0.01 0.00 -2.51 1.63 -3.56 0.00 0.00 178.44 173.99 3iwk n LYS 171 N -3.75 0.59 -0.05 0.49 5.02 -0.65 -4.52 118.16 115.28 3iwk n LYS 171 Ca 0.07 0.23 -0.15 0.00 -2.02 0.00 0.00 58.31 56.44 3iwk n LYS 171 Cb 0.61 -1.48 -0.06 0.00 -0.02 0.00 0.00 35.03 34.08 3iwk n LYS 171 CO 0.00 0.00 0.00 -0.84 -0.52 0.00 0.00 177.40 176.04 3iwk h ILE 172 N -0.77 1.32 -0.12 -0.18 3.07 -0.69 -2.68 117.51 117.46 3iwk h ILE 172 Ca -0.67 -1.72 0.04 0.00 1.55 0.00 0.00 64.86 64.06 3iwk h ILE 172 Cb 1.67 1.89 -0.04 0.00 -0.27 0.00 0.00 36.82 40.07 3iwk h ILE 172 CO -0.35 0.54 -0.14 0.00 -1.05 0.00 0.00 178.15 177.15 3iwk h ALA 173 N 0.59 -0.05 0.00 0.16 0.00 -1.61 0.36 119.26 118.71 3iwk h ALA 173 Ca -0.01 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 3iwk h ALA 173 Cb 1.10 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 3iwk h ALA 173 CO 0.11 -0.59 -0.46 -1.00 0.00 0.00 0.00 179.25 177.31 3iwk h PRO 174 N -0.17 0.00 -0.38 0.00 0.13 -1.77 -1.92 132.00 127.89 3iwk h PRO 174 Ca 0.09 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.14 3iwk h PRO 174 Cb 0.30 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.41 3iwk h PRO 174 CO -0.22 0.46 -0.08 0.00 -0.23 0.00 0.00 178.00 177.93 3iwk h ALA 175 N 1.54 0.52 -0.02 -0.56 0.00 -0.91 -1.92 119.26 117.91 3iwk h ALA 175 Ca -0.00 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 3iwk h ALA 175 Cb 0.87 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 3iwk h ALA 175 CO 0.06 0.36 -0.00 -0.07 0.00 0.00 0.00 179.25 179.60 3iwk h LEU 176 N 0.52 0.04 -1.72 0.00 3.38 -0.30 -1.51 115.31 115.71 3iwk h LEU 176 Ca 0.10 -0.35 0.24 0.00 0.09 0.00 0.00 57.88 57.96 3iwk h LEU 176 Cb 0.58 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.27 3iwk h LEU 176 CO 0.03 0.38 0.64 0.00 0.09 0.00 0.00 178.44 179.58 3iwk h ALA 177 N 0.66 2.52 0.00 1.53 0.00 -1.36 0.23 119.26 122.83 3iwk h ALA 177 Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3iwk h ALA 177 Cb 0.36 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 3iwk h ALA 177 CO 0.00 -0.81 -0.04 0.00 0.00 0.00 0.00 179.25 178.40 3iwk h ALA 178 N 1.58 0.98 0.00 0.00 0.00 -1.09 -3.44 119.26 117.29 3iwk h ALA 178 Ca 0.47 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.34 3iwk h ALA 178 Cb 1.49 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.27 3iwk h ALA 178 CO -0.11 0.05 0.00 0.41 0.00 0.00 0.00 179.25 179.60 3iwk n GLY 179 N 0.64 1.03 3.84 0.00 0.00 0.80 -3.93 105.19 107.56 3iwk n GLY 179 Ca 0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 3iwk n GLY 179 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iwk s ALA 181 N -3.10 3.15 0.05 0.00 0.00 -0.85 -4.53 121.76 116.47 3iwk s ALA 181 Ca 0.57 -0.83 0.07 0.00 0.00 0.00 0.00 51.96 51.76 3iwk s ALA 181 Cb -0.13 -1.74 -0.03 0.00 0.00 0.00 0.00 23.12 21.22 3iwk s ALA 181 CO 0.55 0.12 -0.16 0.00 0.00 0.00 0.00 175.76 176.27 3iwk s ALA 182 N 0.51 2.68 -0.23 0.00 0.00 0.18 -0.97 121.76 123.94 3iwk s ALA 182 Ca -0.00 -1.18 -0.03 0.00 0.00 0.00 0.00 51.96 50.75 3iwk s ALA 182 Cb -0.14 -0.80 0.01 0.00 0.00 0.00 0.00 23.12 22.19 3iwk s ALA 182 CO 0.02 0.58 -0.06 0.42 0.00 0.00 0.00 175.76 176.72 3iwk s ILE 183 N -0.97 3.05 -0.19 0.00 1.09 -0.31 -0.36 121.20 123.52 3iwk s ILE 183 Ca 0.16 -0.74 -0.17 0.00 -1.10 0.00 0.00 60.65 58.79 3iwk s ILE 183 Cb -0.11 -2.44 -0.04 0.00 -1.06 0.00 0.00 42.46 38.82 3iwk s ILE 183 CO 0.06 0.35 0.47 -0.22 -0.10 0.00 0.00 174.94 175.50 3iwk s LEU 184 N 1.40 4.17 -0.52 2.97 2.96 0.12 -0.65 118.68 129.13 3iwk s LEU 184 Ca 0.04 0.63 -0.02 0.00 -0.22 0.00 0.00 54.13 54.56 3iwk s LEU 184 Cb -0.15 -2.63 0.14 0.00 0.50 0.00 0.00 46.19 44.05 3iwk s LEU 184 CO -0.05 -0.12 0.31 -0.75 -1.32 0.00 0.00 176.35 174.43 3iwk s LYS 185 N 1.38 2.23 0.83 1.98 2.36 0.86 -0.71 119.74 128.66 3iwk s LYS 185 Ca 0.22 -2.24 -0.11 0.00 -2.55 0.00 0.00 55.97 51.29 3iwk s LYS 185 Cb -0.15 -3.60 0.09 0.00 -1.05 0.00 0.00 37.83 33.12 3iwk s LYS 185 CO 0.09 -1.12 1.09 -2.14 1.55 0.00 0.00 175.35 174.83 3iwk s PRO 186 N 0.41 1.82 0.31 4.03 0.02 -1.26 -2.40 135.00 137.94 3iwk s PRO 186 Ca 0.13 0.74 -0.29 0.00 0.02 0.00 0.00 61.00 61.60 3iwk s PRO 186 Cb -0.22 -1.88 -0.10 0.00 0.02 0.00 0.00 34.50 32.32 3iwk s PRO 186 CO -0.04 -1.83 1.35 0.45 -0.33 0.00 0.00 177.00 176.61 3iwk s SER 187 N -3.70 6.71 0.05 2.53 0.15 -0.95 -4.57 113.70 113.91 3iwk s SER 187 Ca 0.62 2.70 0.08 0.00 0.70 0.00 0.00 55.95 60.05 3iwk s SER 187 Cb -0.16 -2.64 0.37 0.00 -1.71 0.00 0.00 66.02 61.88 3iwk s SER 187 CO 0.55 -0.60 1.25 -1.84 1.20 0.00 0.00 173.24 173.80 3iwk n GLU 188 N 1.20 0.03 0.04 5.44 0.00 -1.26 -1.70 120.64 124.40 3iwk n GLU 188 Ca 0.02 0.44 0.12 0.00 0.00 0.00 0.00 57.16 57.74 3iwk n GLU 188 Cb 0.41 -1.58 0.07 0.00 0.00 0.00 0.00 31.44 30.35 3iwk n GLU 188 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 3iwk n LEU 189 N -1.64 0.64 -2.87 -1.84 4.77 -1.26 -4.67 117.00 110.14 3iwk n LEU 189 Ca 0.01 0.08 -0.08 0.00 -0.03 0.00 0.00 56.01 55.99 3iwk n LEU 189 Cb 0.07 -0.13 -0.01 0.00 -2.33 0.00 0.00 43.42 41.02 3iwk n LEU 189 CO 0.06 0.00 0.05 0.00 -1.33 0.00 0.00 177.39 176.17 3iwk s ALA 190 N -3.19 -1.53 -0.92 -1.18 0.00 -0.69 -4.67 121.76 109.58 3iwk s ALA 190 Ca 0.04 -0.76 0.09 0.00 0.00 0.00 0.00 51.96 51.34 3iwk s ALA 190 Cb 0.14 -2.53 0.01 0.00 0.00 0.00 0.00 23.12 20.74 3iwk s ALA 190 CO 0.77 -2.19 0.64 0.43 0.00 0.00 0.00 175.76 175.41 3iwk n SER 191 N 2.93 1.28 0.07 0.00 7.64 -1.20 -4.37 113.62 119.96 3iwk n SER 191 Ca 0.20 -1.14 -0.13 0.00 1.01 0.00 0.00 58.87 58.81 3iwk n SER 191 Cb 0.55 0.39 -0.09 0.00 -1.01 0.00 0.00 64.21 64.05 3iwk n SER 191 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3iwk h VAL 192 N 1.19 1.03 -0.14 0.44 2.07 -1.94 -2.30 116.25 116.60 3iwk h VAL 192 Ca 0.00 -0.80 -0.09 0.00 0.82 0.00 0.00 66.70 66.63 3iwk h VAL 192 Cb 0.33 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 3iwk h VAL 192 CO 0.00 0.19 -0.33 0.71 0.02 0.00 0.00 177.57 178.16 3iwk h THR 193 N -0.57 1.28 -0.42 2.57 1.35 -1.90 -2.11 112.91 113.10 3iwk h THR 193 Ca -0.02 -1.33 -0.09 0.00 -0.55 0.00 0.00 66.41 64.42 3iwk h THR 193 Cb 0.44 1.54 -0.02 0.00 -1.73 0.00 0.00 68.15 68.39 3iwk h THR 193 CO 0.03 0.40 -0.11 0.00 -0.25 0.00 0.00 175.52 175.59 3iwk h LEU 195 N 0.67 0.62 -1.65 0.00 3.38 -1.08 -2.54 115.31 114.71 3iwk h LEU 195 Ca 0.12 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 3iwk h LEU 195 Cb 0.58 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3iwk h LEU 195 CO 0.04 0.81 0.05 -0.33 0.09 0.00 0.00 178.44 179.09 3iwk h GLU 196 N 0.56 0.27 0.00 1.13 4.39 -0.82 -1.92 114.58 118.18 3iwk h GLU 196 Ca 0.09 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.74 3iwk h GLU 196 Cb 0.62 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.22 3iwk h GLU 196 CO 0.04 0.26 -0.08 1.25 -1.16 0.00 0.00 179.01 179.33 3iwk h LEU 197 N 0.27 0.00 -0.42 1.33 5.85 -0.90 -2.09 115.31 119.35 3iwk h LEU 197 Ca 0.07 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.79 3iwk h LEU 197 Cb 0.11 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 3iwk h LEU 197 CO -0.00 0.08 0.27 1.23 -0.34 0.00 0.00 178.44 179.68 3iwk h GLY 198 N 0.29 0.59 1.41 3.75 0.00 -1.34 -1.78 103.07 106.00 3iwk h GLY 198 Ca -0.00 -0.22 -0.04 0.00 0.00 0.00 0.00 47.33 47.06 3iwk h GLY 198 CO 0.01 0.22 0.12 -2.09 0.00 0.00 0.00 176.54 174.80 3iwk h GLU 199 N 0.56 0.74 -0.77 4.80 4.57 -1.45 -2.15 114.58 120.88 3iwk h GLU 199 Ca 0.15 -0.14 -0.04 0.00 -1.18 0.00 0.00 59.36 58.15 3iwk h GLU 199 Cb -0.06 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.38 3iwk h GLU 199 CO -0.03 0.67 0.32 0.82 -1.18 0.00 0.00 179.01 179.60 3iwk h ILE 200 N 0.72 1.26 -0.27 2.32 2.04 -1.12 -0.97 117.51 121.48 3iwk h ILE 200 Ca 0.16 -0.80 -0.06 0.00 1.00 0.00 0.00 64.86 65.17 3iwk h ILE 200 Cb 0.26 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 36.66 3iwk h ILE 200 CO -0.00 0.33 -0.08 0.00 0.00 0.00 0.00 178.15 178.40 3iwk h LYS 202 N 0.42 -0.40 -0.97 0.00 3.64 -0.91 -0.89 116.57 117.46 3iwk h LYS 202 Ca 0.08 0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.53 3iwk h LYS 202 Cb 0.40 0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 32.25 3iwk h LYS 202 CO 0.02 -0.09 0.63 0.93 -2.27 0.00 0.00 179.45 178.67 3iwk h GLU 203 N -0.73 1.17 0.00 1.90 5.08 -1.08 -1.85 114.58 119.06 3iwk h GLU 203 Ca -0.04 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 3iwk h GLU 203 Cb 0.50 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.48 3iwk h GLU 203 CO 0.07 0.77 0.00 0.28 -1.00 0.00 0.00 179.01 179.13 3iwk n VAL 204 N -4.45 0.64 -2.94 3.13 0.31 -0.33 -4.94 118.33 109.76 3iwk n VAL 204 Ca 0.13 -0.07 -0.13 0.00 -0.01 0.00 0.00 64.34 64.27 3iwk n VAL 204 Cb 0.12 -0.79 0.03 0.00 -0.91 0.00 0.00 33.84 32.29 3iwk n VAL 204 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3iwk n GLY 205 N 0.83 0.09 3.72 2.92 0.00 -0.66 -4.98 105.19 107.10 3iwk n GLY 205 Ca 0.04 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 3iwk n GLY 205 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3iwk s LEU 206 N -4.26 4.37 0.26 0.99 2.96 -0.43 -4.90 118.68 117.67 3iwk s LEU 206 Ca 0.26 2.60 -0.28 0.00 -0.22 0.00 0.00 54.13 56.49 3iwk s LEU 206 Cb -0.12 -3.59 -0.15 0.00 0.50 0.00 0.00 46.19 42.83 3iwk s LEU 206 CO 0.33 -0.81 0.89 -2.65 -1.32 0.00 0.00 176.35 172.78 3iwk n PRO 207 N 3.92 0.98 -1.98 0.98 -0.02 -1.26 -4.82 135.00 132.81 3iwk n PRO 207 Ca 0.13 0.34 -0.41 0.00 -2.02 0.00 0.00 63.50 61.55 3iwk n PRO 207 Cb 0.39 -1.62 -0.02 0.00 -0.02 0.00 0.00 33.50 32.23 3iwk n PRO 207 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 3iwk s ARG 208 N -1.35 4.25 0.00 -0.52 1.70 -1.26 -2.78 118.95 118.99 3iwk s ARG 208 Ca 0.61 2.35 0.00 0.00 -0.47 0.00 0.00 55.73 58.22 3iwk s ARG 208 Cb -0.77 -3.07 0.00 0.00 -0.57 0.00 0.00 34.95 30.54 3iwk s ARG 208 CO 0.59 -0.41 0.00 0.41 -1.08 0.00 0.00 175.30 174.80 3iwk n GLY 209 N 1.70 1.43 0.23 3.88 0.00 -1.26 -4.56 105.19 106.61 3iwk n GLY 209 Ca 0.05 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.93 3iwk n GLY 209 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3iwk h VAL 210 N 0.00 1.29 -3.19 1.61 2.07 -1.81 -3.30 116.25 112.92 3iwk h VAL 210 Ca 0.00 -1.61 -0.59 0.00 0.82 0.00 0.00 66.70 65.32 3iwk h VAL 210 Cb 0.00 1.64 -0.35 0.00 -1.52 0.00 0.00 31.29 31.05 3iwk h VAL 210 CO 0.00 0.52 -0.83 -0.22 0.02 0.00 0.00 177.57 177.06 3iwk s LEU 211 N -8.82 1.68 0.03 2.57 2.96 -1.26 0.52 118.68 116.36 3iwk s LEU 211 Ca -0.12 -0.45 0.08 0.00 -0.22 0.00 0.00 54.13 53.43 3iwk s LEU 211 Cb 0.09 -1.12 -0.03 0.00 0.50 0.00 0.00 46.19 45.63 3iwk s LEU 211 CO 0.86 -0.03 -0.23 0.20 -1.32 0.00 0.00 176.35 175.83 3iwk s ASN 212 N 1.26 3.37 -0.23 3.68 -0.87 0.52 -4.66 114.94 118.00 3iwk s ASN 212 Ca -0.01 -0.51 0.01 0.00 -1.57 0.00 0.00 52.86 50.79 3iwk s ASN 212 Cb -0.14 -0.41 0.05 0.00 -0.02 0.00 0.00 41.25 40.73 3iwk s ASN 212 CO -0.06 0.27 -0.08 -0.63 -2.57 0.00 0.00 177.10 174.03 3iwk s ILE 213 N -0.80 1.68 -0.30 0.60 1.01 0.48 0.13 121.20 123.99 3iwk s ILE 213 Ca 0.12 -1.24 -0.00 0.00 0.00 0.00 0.00 60.65 59.53 3iwk s ILE 213 Cb -0.10 -1.86 0.06 0.00 0.01 0.00 0.00 42.46 40.56 3iwk s ILE 213 CO 0.02 -0.01 -0.01 -0.69 0.00 0.00 0.00 174.94 174.26 3iwk s VAL 214 N 1.34 2.78 0.29 2.92 1.01 0.11 -1.92 120.40 126.93 3iwk s VAL 214 Ca -0.05 -1.55 -0.01 0.00 0.00 0.00 0.00 61.98 60.37 3iwk s VAL 214 Cb -0.18 -2.65 -0.04 0.00 0.00 0.00 0.00 36.38 33.50 3iwk s VAL 214 CO -0.07 -0.16 0.50 0.42 0.00 0.00 0.00 175.10 175.79 3iwk s THR 215 N 1.19 5.12 -5.00 3.92 -4.23 -1.26 -4.11 115.64 111.27 3iwk s THR 215 Ca -0.04 -0.35 0.00 0.00 -1.18 0.00 0.00 61.69 60.12 3iwk s THR 215 Cb -0.20 -3.80 0.00 0.00 1.34 0.00 0.00 72.50 69.84 3iwk s THR 215 CO -0.03 -0.39 0.00 0.61 -0.54 0.00 0.00 174.62 174.27 3iwk n GLY 216 N -1.27 -1.09 3.77 3.99 0.00 -1.25 -0.08 105.19 109.26 3iwk n GLY 216 Ca -0.04 -1.46 -0.40 0.00 0.00 0.00 0.00 46.02 44.12 3iwk n GLY 216 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3iwk s LEU 217 N 0.00 4.38 0.26 0.99 1.02 -1.26 -4.15 118.68 119.92 3iwk s LEU 217 Ca 0.00 2.51 -0.01 0.00 0.02 0.00 0.00 54.13 56.65 3iwk s LEU 217 Cb 0.00 -3.75 0.50 0.00 0.02 0.00 0.00 46.19 42.96 3iwk s LEU 217 CO 0.00 -0.51 1.80 1.23 0.02 0.00 0.00 176.35 178.89 3iwk h GLY 218 N 3.24 1.44 1.97 -3.19 0.00 -1.96 -0.51 103.07 104.06 3iwk h GLY 218 Ca -0.48 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 46.52 3iwk h GLY 218 CO 0.65 0.07 -0.02 -2.39 0.00 0.00 0.00 176.54 174.85 3iwk n HIS 219 N -4.76 0.54 0.00 5.60 1.44 -1.26 -1.02 115.22 115.76 3iwk n HIS 219 Ca 0.17 0.16 0.00 0.00 -2.01 0.00 0.00 57.72 56.03 3iwk n HIS 219 Cb 0.37 -0.75 0.00 0.00 0.12 0.00 0.00 29.99 29.73 3iwk n HIS 219 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 3iwk n GLU 220 N -1.94 0.00 -0.04 -1.40 1.02 -0.95 -4.45 120.64 112.88 3iwk n GLU 220 Ca 0.06 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.08 3iwk n GLU 220 Cb 0.39 -0.30 -0.07 0.00 -0.02 0.00 0.00 31.44 31.45 3iwk n GLU 220 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3iwk h ALA 221 N -1.83 0.16 0.10 0.62 0.00 -1.19 -2.10 119.26 115.03 3iwk h ALA 221 Ca 0.00 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 3iwk h ALA 221 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3iwk h ALA 221 CO 0.00 -0.15 -0.05 0.78 0.00 0.00 0.00 179.25 179.83 3iwk h GLY 222 N -0.06 -0.15 0.99 0.00 0.00 -1.36 -1.47 103.07 101.02 3iwk h GLY 222 Ca 0.03 0.05 -0.00 0.00 0.00 0.00 0.00 47.33 47.41 3iwk h GLY 222 CO 0.01 -0.05 0.32 0.00 0.00 0.00 0.00 176.54 176.81 3iwk h ALA 223 N 0.66 0.69 -0.52 3.60 0.00 -1.17 -0.91 119.26 121.61 3iwk h ALA 223 Ca -0.01 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 3iwk h ALA 223 Cb 0.19 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3iwk h ALA 223 CO 0.02 0.18 0.26 0.77 0.00 0.00 0.00 179.25 180.48 3iwk h SER 224 N 0.73 0.65 -0.03 0.00 0.02 -1.29 -1.58 113.55 112.04 3iwk h SER 224 Ca 0.19 -0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 61.07 3iwk h SER 224 Cb -0.01 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.37 3iwk h SER 224 CO -0.04 0.55 -0.05 0.25 -1.14 0.00 0.00 176.83 176.40 3iwk h LEU 225 N 0.73 0.10 -1.58 5.07 5.85 -0.93 -2.88 115.31 121.66 3iwk h LEU 225 Ca 0.18 -0.56 0.02 0.00 0.84 0.00 0.00 57.88 58.37 3iwk h LEU 225 Cb 0.06 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 3iwk h LEU 225 CO -0.03 0.63 0.31 0.00 -0.34 0.00 0.00 178.44 179.02 3iwk h ALA 226 N 0.46 1.76 -0.08 1.25 0.00 -1.01 -2.70 119.26 118.94 3iwk h ALA 226 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3iwk h ALA 226 Cb 0.62 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3iwk h ALA 226 CO 0.01 0.20 0.00 -1.13 0.00 0.00 0.00 179.25 178.33 3iwk n SER 227 N -4.47 2.23 -4.69 0.00 3.41 -0.61 -4.55 113.62 104.93 3iwk n SER 227 Ca 0.05 -1.75 -0.42 0.00 -0.26 0.00 0.00 58.87 56.49 3iwk n SER 227 Cb 0.12 -0.04 -0.03 0.00 -0.26 0.00 0.00 64.21 64.01 3iwk n SER 227 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 3iwk s HIS 228 N -1.92 2.78 0.56 7.33 5.04 -1.02 -4.90 115.29 123.16 3iwk s HIS 228 Ca 0.34 0.70 0.42 0.00 -1.54 0.00 0.00 55.06 54.98 3iwk s HIS 228 Cb 0.20 -3.75 2.21 0.00 0.04 0.00 0.00 32.58 31.29 3iwk s HIS 228 CO 0.31 -2.82 2.30 -1.00 -2.34 0.00 0.00 174.74 171.19 3iwk h PRO 229 N 7.84 0.00 -0.22 2.88 0.13 -1.92 -2.54 132.00 138.18 3iwk h PRO 229 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 3iwk h PRO 229 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3iwk h PRO 229 CO 0.91 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.43 3iwk n ASP 230 N -3.12 3.02 -4.70 1.44 8.00 -1.26 -4.86 116.55 115.07 3iwk n ASP 230 Ca -0.02 -1.94 -0.42 0.00 0.71 0.00 0.00 54.79 53.11 3iwk n ASP 230 Cb 0.12 -0.13 -0.03 0.00 -0.02 0.00 0.00 41.12 41.05 3iwk n ASP 230 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3iwk s VAL 231 N -1.73 4.83 -0.02 2.53 1.01 -0.96 -4.72 120.40 121.34 3iwk s VAL 231 Ca 0.34 2.04 0.02 0.00 0.00 0.00 0.00 61.98 64.38 3iwk s VAL 231 Cb 0.21 -4.31 -0.26 0.00 0.00 0.00 0.00 36.38 32.02 3iwk s VAL 231 CO 0.31 0.08 0.75 0.44 0.00 0.00 0.00 175.10 176.68 3iwk h ASP 232 N 6.96 0.25 -4.00 3.32 3.32 -0.62 -3.48 116.42 122.17 3iwk h ASP 232 Ca -0.36 -0.42 -0.12 0.00 0.02 0.00 0.00 57.03 56.16 3iwk h ASP 232 Cb 1.18 -0.08 -0.24 0.00 0.22 0.00 0.00 39.33 40.41 3iwk h ASP 232 CO 0.80 1.36 -0.24 -0.75 -1.72 0.00 0.00 179.24 178.70 3iwk s LYS 233 N -2.61 0.50 -0.17 3.56 2.20 -1.06 -4.14 119.74 118.02 3iwk s LYS 233 Ca -0.09 0.49 -0.02 0.00 -0.36 0.00 0.00 55.97 55.99 3iwk s LYS 233 Cb 0.07 0.24 -0.01 0.00 -1.51 0.00 0.00 37.83 36.62 3iwk s LYS 233 CO 0.83 -0.07 -0.09 0.42 -0.36 0.00 0.00 175.35 176.08 3iwk s ILE 234 N 0.06 3.26 -0.18 5.43 1.01 -1.00 -0.20 121.20 129.57 3iwk s ILE 234 Ca -0.01 -0.56 -0.02 0.00 0.00 0.00 0.00 60.65 60.06 3iwk s ILE 234 Cb -0.03 -2.43 -0.01 0.00 0.01 0.00 0.00 42.46 40.01 3iwk s ILE 234 CO 0.01 0.48 -0.10 -0.55 0.00 0.00 0.00 174.94 174.78 3iwk s SER 235 N 0.82 4.01 -0.02 3.58 0.15 0.27 -1.94 113.70 120.55 3iwk s SER 235 Ca -0.03 -0.41 0.03 0.00 0.70 0.00 0.00 55.95 56.24 3iwk s SER 235 Cb -0.15 -1.65 -0.00 0.00 -1.71 0.00 0.00 66.02 62.51 3iwk s SER 235 CO 0.01 0.05 -0.11 0.12 1.20 0.00 0.00 173.24 174.51 3iwk s PHE 236 N 1.07 1.10 -0.08 3.44 5.36 -0.40 -1.53 117.98 126.94 3iwk s PHE 236 Ca 0.00 -0.27 0.01 0.00 -0.96 0.00 0.00 56.93 55.71 3iwk s PHE 236 Cb -0.15 -0.76 0.02 0.00 -0.34 0.00 0.00 43.02 41.79 3iwk s PHE 236 CO -0.02 -0.09 -0.09 0.99 -1.46 0.00 0.00 175.22 174.55 3iwk s THR 237 N 0.06 0.96 -3.21 0.12 2.01 -0.89 -1.50 115.64 113.20 3iwk s THR 237 Ca -0.01 -0.33 0.00 0.00 0.31 0.00 0.00 61.69 61.66 3iwk s THR 237 Cb -0.08 -0.94 0.00 0.00 0.01 0.00 0.00 72.50 71.49 3iwk s THR 237 CO 0.01 0.33 0.00 0.61 -0.69 0.00 0.00 174.62 174.88 3iwk n GLY 238 N 4.28 -0.55 3.79 4.40 0.00 -0.89 -3.54 105.19 112.68 3iwk n GLY 238 Ca -0.19 -0.79 -0.32 0.00 0.00 0.00 0.00 46.02 44.73 3iwk n GLY 238 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3iwk s SER 239 N -4.00 5.19 0.14 1.61 1.04 -1.26 -3.69 113.70 112.73 3iwk s SER 239 Ca 0.00 1.80 -0.18 0.00 0.48 0.00 0.00 55.95 58.04 3iwk s SER 239 Cb 0.00 -2.52 0.02 0.00 0.10 0.00 0.00 66.02 63.62 3iwk s SER 239 CO 0.00 -1.57 1.71 0.28 0.98 0.00 0.00 173.24 174.64 3iwk h SER 240 N -0.39 -0.15 -0.14 7.02 0.02 -1.94 0.18 113.55 118.15 3iwk h SER 240 Ca -0.45 0.07 0.03 0.00 -0.84 0.00 0.00 61.79 60.60 3iwk h SER 240 Cb 1.23 0.13 -0.03 0.00 0.14 0.00 0.00 62.40 63.87 3iwk h SER 240 CO 0.55 -0.04 -0.03 0.00 -1.14 0.00 0.00 176.83 176.17 3iwk h ALA 241 N 1.25 0.10 -0.44 3.77 0.00 -1.99 0.56 119.26 122.50 3iwk h ALA 241 Ca 0.13 0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.98 3iwk h ALA 241 Cb 0.19 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3iwk h ALA 241 CO -0.24 -0.48 -0.16 1.15 0.00 0.00 0.00 179.25 179.52 3iwk h THR 242 N 0.01 1.27 -0.43 0.00 2.02 -1.93 -1.44 112.91 112.40 3iwk h THR 242 Ca 0.07 -1.30 0.08 0.00 0.77 0.00 0.00 66.41 66.03 3iwk h THR 242 Cb 0.10 1.18 -0.08 0.00 -1.74 0.00 0.00 68.15 67.61 3iwk h THR 242 CO -0.14 0.44 -0.05 1.23 0.37 0.00 0.00 175.52 177.38 3iwk h GLY 243 N 0.73 0.39 1.14 2.16 0.00 -0.61 0.14 103.07 107.02 3iwk h GLY 243 Ca 0.11 0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.53 3iwk h GLY 243 CO 0.05 -0.14 0.55 0.23 0.00 0.00 0.00 176.54 177.24 3iwk h SER 244 N 0.06 1.01 -0.36 0.19 0.87 -0.67 -1.85 113.55 112.80 3iwk h SER 244 Ca 0.21 -0.04 -0.15 0.00 -1.23 0.00 0.00 61.79 60.58 3iwk h SER 244 Cb 0.32 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 3iwk h SER 244 CO -0.40 0.75 -0.36 0.11 -0.53 0.00 0.00 176.83 176.40 3iwk h LYS 245 N 1.18 0.88 -0.45 2.24 1.57 -0.23 -2.23 116.57 119.52 3iwk h LYS 245 Ca 0.31 -0.47 0.04 0.00 -1.87 0.00 0.00 60.65 58.67 3iwk h LYS 245 Cb -0.10 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.19 3iwk h LYS 245 CO -0.06 1.11 0.22 0.82 -0.57 0.00 0.00 179.45 180.97 3iwk h ILE 246 N 0.68 0.96 -0.33 1.86 1.08 -0.52 -1.58 117.51 119.66 3iwk h ILE 246 Ca 0.06 -0.15 -0.11 0.00 -0.39 0.00 0.00 64.86 64.26 3iwk h ILE 246 Cb 0.95 0.48 -0.01 0.00 -3.07 0.00 0.00 36.82 35.17 3iwk h ILE 246 CO 0.09 0.08 -0.25 -0.03 -0.69 0.00 0.00 178.15 177.35 3iwk h MET 247 N 0.44 0.67 -0.56 2.37 4.05 -1.28 -0.20 114.93 120.43 3iwk h MET 247 Ca 0.20 -0.28 -0.04 0.00 -0.28 0.00 0.00 59.70 59.30 3iwk h MET 247 Cb 0.11 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 30.86 3iwk h MET 247 CO -0.14 0.86 0.18 1.15 0.23 0.00 0.00 176.91 179.18 3iwk h THR 248 N 0.58 1.24 -0.24 -0.77 2.02 -1.19 -1.16 112.91 113.38 3iwk h THR 248 Ca 0.08 -0.80 -0.02 0.00 0.77 0.00 0.00 66.41 66.44 3iwk h THR 248 Cb 0.74 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.84 3iwk h THR 248 CO 0.06 0.30 0.08 0.74 0.37 0.00 0.00 175.52 177.07 3iwk h THR 249 N 0.78 1.19 -0.81 3.16 2.02 -0.94 -2.85 112.91 115.46 3iwk h THR 249 Ca 0.18 -0.60 0.08 0.00 0.77 0.00 0.00 66.41 66.85 3iwk h THR 249 Cb 0.28 1.14 -0.05 0.00 -1.74 0.00 0.00 68.15 67.77 3iwk h THR 249 CO -0.01 0.19 0.53 0.00 0.37 0.00 0.00 175.52 176.61 3iwk h ALA 250 N 0.91 1.69 -0.01 6.16 0.00 -0.94 -2.44 119.26 124.63 3iwk h ALA 250 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3iwk h ALA 250 Cb 0.23 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 3iwk h ALA 250 CO -0.00 0.16 0.02 0.00 0.00 0.00 0.00 179.25 179.43 3iwk h ALA 251 N 1.58 1.49 -0.43 0.00 0.00 -0.96 0.35 119.26 121.29 3iwk h ALA 251 Ca 0.36 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.18 3iwk h ALA 251 Cb 0.36 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3iwk h ALA 251 CO -0.14 -0.02 -0.11 1.96 0.00 0.00 0.00 179.25 180.93 3iwk h GLN 252 N 0.00 0.77 -0.07 0.00 4.20 -1.46 -2.97 115.11 115.58 3iwk h GLN 252 Ca 0.01 -0.26 0.00 0.00 0.06 0.00 0.00 58.65 58.46 3iwk h GLN 252 Cb 0.04 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.76 3iwk h GLN 252 CO -0.00 0.86 0.00 1.28 -0.67 0.00 0.00 178.83 180.30 3iwk n LEU 253 N -4.16 2.51 -3.57 1.46 4.77 -1.02 -5.01 117.00 111.97 3iwk n LEU 253 Ca 0.01 -2.59 -0.22 0.00 -0.03 0.00 0.00 56.01 53.19 3iwk n LEU 253 Cb 0.37 -0.28 0.08 0.00 -2.33 0.00 0.00 43.42 41.26 3iwk n LEU 253 CO 0.43 0.64 0.16 0.52 -1.33 0.00 0.00 177.39 177.81 3iwk n VAL 254 N -0.78 -4.14 -3.31 4.08 0.31 0.11 -4.95 118.33 109.66 3iwk n VAL 254 Ca 0.11 -0.22 -0.38 0.00 -0.01 0.00 0.00 64.34 63.83 3iwk n VAL 254 Cb 0.52 -4.26 -0.06 0.00 -0.91 0.00 0.00 33.84 29.13 3iwk n VAL 254 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3iwk s LYS 255 N -5.96 4.18 0.60 5.55 1.02 -0.37 -4.98 119.74 119.78 3iwk s LYS 255 Ca 0.33 0.66 -0.17 0.00 0.02 0.00 0.00 55.97 56.81 3iwk s LYS 255 Cb -0.15 -3.27 -0.03 0.00 -0.52 0.00 0.00 37.83 33.86 3iwk s LYS 255 CO 0.74 0.56 1.12 -1.25 -0.92 0.00 0.00 175.35 175.60 3iwk s PRO 256 N -0.79 3.06 0.03 -1.68 0.04 -1.26 -4.66 135.00 129.75 3iwk s PRO 256 Ca 0.28 1.49 -0.00 0.00 0.04 0.00 0.00 61.00 62.81 3iwk s PRO 256 Cb -0.18 -1.98 -0.03 0.00 0.04 0.00 0.00 34.50 32.35 3iwk s PRO 256 CO 0.17 -1.06 -0.03 0.54 0.04 0.00 0.00 177.00 176.65 3iwk s VAL 257 N -2.07 0.17 -0.06 -0.36 0.11 -1.26 -2.39 120.40 114.54 3iwk s VAL 257 Ca 0.70 -1.24 0.02 0.00 -2.93 0.00 0.00 61.98 58.53 3iwk s VAL 257 Cb -0.22 -0.73 0.01 0.00 -1.53 0.00 0.00 36.38 33.91 3iwk s VAL 257 CO 0.35 -0.68 -0.12 -0.94 -3.33 0.00 0.00 175.10 170.38 3iwk s SER 258 N -1.99 1.74 -0.11 3.54 1.04 -0.82 -4.92 113.70 112.19 3iwk s SER 258 Ca -0.07 -0.29 0.01 0.00 0.48 0.00 0.00 55.95 56.08 3iwk s SER 258 Cb -0.04 -0.76 0.02 0.00 0.10 0.00 0.00 66.02 65.35 3iwk s SER 258 CO -0.04 0.04 -0.12 -0.76 0.98 0.00 0.00 173.24 173.34 3iwk s LEU 259 N 0.57 1.55 -0.28 2.42 1.43 -0.75 -1.27 118.68 122.36 3iwk s LEU 259 Ca -0.13 -0.38 -0.04 0.00 -1.03 0.00 0.00 54.13 52.56 3iwk s LEU 259 Cb -0.15 -0.98 0.02 0.00 0.03 0.00 0.00 46.19 45.11 3iwk s LEU 259 CO 0.03 -0.03 0.01 -0.70 0.23 0.00 0.00 176.35 175.90 3iwk s GLU 260 N 1.19 2.92 0.00 1.70 2.12 -0.56 -1.52 118.70 124.55 3iwk s GLU 260 Ca -0.03 -0.95 0.00 0.00 0.36 0.00 0.00 54.97 54.35 3iwk s GLU 260 Cb -0.14 -3.19 0.00 0.00 0.26 0.00 0.00 34.13 31.06 3iwk s GLU 260 CO -0.04 -0.44 0.00 1.28 -0.54 0.00 0.00 175.26 175.52 3iwk n LEU 261 N 4.76 0.00 0.00 2.70 4.77 0.71 -2.09 117.00 127.85 3iwk n LEU 261 Ca -0.15 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 3iwk n LEU 261 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 3iwk n LEU 261 CO 0.29 -0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.89 3iwk n GLY 262 N 5.00 -2.37 3.81 -0.72 0.00 -1.24 -4.87 105.19 104.80 3iwk n GLY 262 Ca 0.00 -1.46 -0.08 0.00 0.00 0.00 0.00 46.02 44.49 3iwk n GLY 262 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3iwk s GLY 263 N -2.45 0.10 -0.45 -0.02 0.00 -1.13 -4.43 107.32 98.95 3iwk s GLY 263 Ca 0.00 -0.49 0.08 0.00 0.00 0.00 0.00 44.72 44.31 3iwk s GLY 263 CO 0.00 -0.21 0.61 1.17 0.00 0.00 0.00 173.10 174.66 3iwk n LYS 264 N -0.47 1.22 -2.29 2.90 3.00 -1.26 -4.60 118.16 116.67 3iwk n LYS 264 Ca -0.04 -3.61 -0.41 0.00 -0.00 0.00 0.00 58.31 54.25 3iwk n LYS 264 Cb 0.60 -1.53 -0.03 0.00 0.00 0.00 0.00 35.03 34.07 3iwk n LYS 264 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 3iwk s SER 265 N -1.68 7.00 0.09 3.14 0.01 -1.19 -4.77 113.70 116.29 3iwk s SER 265 Ca 0.37 2.43 -0.10 0.00 1.31 0.00 0.00 55.95 59.96 3iwk s SER 265 Cb 0.19 -2.63 -0.06 0.00 0.21 0.00 0.00 66.02 63.73 3iwk s SER 265 CO -0.09 -0.38 0.41 -2.16 0.41 0.00 0.00 173.24 171.43 3iwk s PRO 266 N -1.09 3.77 -0.20 12.44 0.04 -1.26 -1.68 135.00 147.03 3iwk s PRO 266 Ca 0.50 0.19 -0.01 0.00 0.04 0.00 0.00 61.00 61.72 3iwk s PRO 266 Cb -0.35 -2.98 0.01 0.00 0.04 0.00 0.00 34.50 31.21 3iwk s PRO 266 CO 0.44 0.55 -0.15 -1.50 0.04 0.00 0.00 177.00 176.38 3iwk s ILE 267 N -1.42 2.48 -0.29 0.56 2.07 0.45 -1.41 121.20 123.64 3iwk s ILE 267 Ca 0.34 -0.82 -0.10 0.00 -1.41 0.00 0.00 60.65 58.66 3iwk s ILE 267 Cb -0.14 -2.09 -0.04 0.00 0.13 0.00 0.00 42.46 40.33 3iwk s ILE 267 CO 0.18 0.49 0.17 -0.69 -1.91 0.00 0.00 174.94 173.18 3iwk s VAL 268 N 1.35 5.00 -0.34 4.00 1.01 0.69 -0.50 120.40 131.61 3iwk s VAL 268 Ca 0.05 -0.04 -0.01 0.00 0.00 0.00 0.00 61.98 61.98 3iwk s VAL 268 Cb -0.14 -3.42 0.08 0.00 0.00 0.00 0.00 36.38 32.90 3iwk s VAL 268 CO -0.10 0.21 0.06 -0.69 0.00 0.00 0.00 175.10 174.58 3iwk s VAL 269 N 1.70 2.92 0.96 2.92 1.01 -0.59 -0.50 120.40 128.82 3iwk s VAL 269 Ca 0.06 -1.75 -0.15 0.00 0.00 0.00 0.00 61.98 60.15 3iwk s VAL 269 Cb -0.16 -2.85 0.18 0.00 0.00 0.00 0.00 36.38 33.55 3iwk s VAL 269 CO 0.09 -0.35 1.21 -0.36 0.00 0.00 0.00 175.10 175.68 3iwk s PHE 270 N 1.16 1.89 0.12 5.22 0.08 -0.40 -2.11 117.98 123.94 3iwk s PHE 270 Ca 0.01 0.58 -0.08 0.00 0.12 0.00 0.00 56.93 57.56 3iwk s PHE 270 Cb -0.21 -3.69 -0.09 0.00 -0.57 0.00 0.00 43.02 38.46 3iwk s PHE 270 CO -0.03 -2.64 1.32 1.05 -0.10 0.00 0.00 175.22 174.82 3iwk h GLU 271 N -1.67 0.59 -5.03 0.44 9.09 -1.92 -3.38 114.58 112.69 3iwk h GLU 271 Ca -0.47 -0.53 -0.62 0.00 0.05 0.00 0.00 59.36 57.79 3iwk h GLU 271 Cb 1.29 0.13 -0.04 0.00 -1.65 0.00 0.00 28.75 28.48 3iwk h GLU 271 CO 0.49 1.16 2.27 -0.40 0.05 0.00 0.00 179.01 182.57 3iwk n ASP 272 N -3.85 3.88 -3.73 3.06 5.75 -1.26 -4.83 116.55 115.55 3iwk n ASP 272 Ca -0.07 -2.81 -0.14 0.00 -0.01 0.00 0.00 54.79 51.76 3iwk n ASP 272 Cb 0.78 -1.62 -0.09 0.00 -1.03 0.00 0.00 41.12 39.16 3iwk n ASP 272 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3iwk s VAL 273 N 5.38 0.03 -0.33 2.12 1.01 -1.26 -0.23 120.40 127.12 3iwk s VAL 273 Ca 0.55 -0.22 -0.29 0.00 0.00 0.00 0.00 61.98 62.03 3iwk s VAL 273 Cb 0.08 -0.61 0.00 0.00 0.00 0.00 0.00 36.38 35.85 3iwk s VAL 273 CO 0.05 -0.12 1.36 -0.62 0.00 0.00 0.00 175.10 175.77 3iwk s ASP 274 N -0.58 6.55 0.16 3.32 -1.08 -1.26 -4.94 116.67 118.84 3iwk s ASP 274 Ca -0.07 1.13 -0.13 0.00 -0.52 0.00 0.00 52.55 52.96 3iwk s ASP 274 Cb -0.04 -2.54 0.04 0.00 -1.46 0.00 0.00 42.92 38.92 3iwk s ASP 274 CO 0.03 -1.19 1.66 -0.07 0.52 0.00 0.00 175.17 176.12 3iwk h LEU 275 N 11.31 0.79 -0.38 -1.34 4.07 -1.99 -2.70 115.31 125.08 3iwk h LEU 275 Ca -0.27 -0.23 -0.12 0.00 0.08 0.00 0.00 57.88 57.34 3iwk h LEU 275 Cb 1.10 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 42.63 3iwk h LEU 275 CO 1.05 0.82 -0.21 0.44 -1.08 0.00 0.00 178.44 179.45 3iwk h ASP 276 N 0.73 0.85 -0.53 -0.43 3.32 -1.99 -2.27 116.42 116.10 3iwk h ASP 276 Ca 0.17 -0.41 -0.01 0.00 0.02 0.00 0.00 57.03 56.79 3iwk h ASP 276 Cb 0.33 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 3iwk h ASP 276 CO 0.00 1.08 0.28 0.11 -1.72 0.00 0.00 179.24 178.99 3iwk h LYS 277 N 0.62 0.74 0.00 3.56 1.57 -1.97 -2.78 116.57 118.30 3iwk h LYS 277 Ca 0.08 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3iwk h LYS 277 Cb 0.77 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.94 3iwk h LYS 277 CO 0.06 0.58 -0.03 -0.39 -0.57 0.00 0.00 179.45 179.10 3iwk h VAL 278 N 0.70 0.04 -0.34 0.50 -1.51 -1.49 -2.83 116.25 111.33 3iwk h VAL 278 Ca 0.18 -1.00 -0.05 0.00 -1.23 0.00 0.00 66.70 64.61 3iwk h VAL 278 Cb 0.06 1.96 -0.01 0.00 -2.13 0.00 0.00 31.29 31.17 3iwk h VAL 278 CO -0.03 0.02 0.03 0.00 -1.23 0.00 0.00 177.57 176.36 3iwk h ALA 279 N 1.97 0.45 0.09 5.19 0.00 -1.27 -0.44 119.26 125.26 3iwk h ALA 279 Ca -0.00 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.71 3iwk h ALA 279 Cb 0.96 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 3iwk h ALA 279 CO 0.00 0.18 -0.25 1.49 0.00 0.00 0.00 179.25 180.68 3iwk h GLU 280 N 0.40 -0.42 -0.56 0.00 4.57 -1.40 -1.75 114.58 115.42 3iwk h GLU 280 Ca 0.10 0.03 0.04 0.00 -1.18 0.00 0.00 59.36 58.35 3iwk h GLU 280 Cb 0.40 0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 29.04 3iwk h GLU 280 CO 0.01 -0.28 0.30 -1.49 -1.18 0.00 0.00 179.01 176.37 3iwk h TRP 281 N -0.44 0.56 -0.38 0.92 -0.00 -1.41 -0.57 115.95 114.63 3iwk h TRP 281 Ca 0.04 0.02 -0.02 0.00 -0.00 0.00 0.00 58.89 58.92 3iwk h TRP 281 Cb 0.47 -0.17 -0.02 0.00 -0.00 0.00 0.00 29.16 29.45 3iwk h TRP 281 CO -0.24 0.29 0.15 1.79 -0.00 0.00 0.00 178.44 180.42 3iwk h THR 282 N 0.59 1.19 -0.80 1.49 1.35 -0.93 0.41 112.91 116.22 3iwk h THR 282 Ca 0.24 -0.60 -0.03 0.00 -0.55 0.00 0.00 66.41 65.46 3iwk h THR 282 Cb 0.11 0.89 -0.04 0.00 -1.73 0.00 0.00 68.15 67.38 3iwk h THR 282 CO -0.15 0.22 0.36 0.58 -0.25 0.00 0.00 175.52 176.28 3iwk h VAL 283 N 0.47 1.25 -0.42 6.82 2.07 -1.12 -2.46 116.25 122.85 3iwk h VAL 283 Ca 0.13 -0.74 -0.06 0.00 0.82 0.00 0.00 66.70 66.85 3iwk h VAL 283 Cb 0.20 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 3iwk h VAL 283 CO -0.01 0.31 0.03 0.15 0.02 0.00 0.00 177.57 178.07 3iwk h PHE 284 N 1.14 0.78 0.00 1.57 3.04 -0.76 0.99 116.94 123.71 3iwk h PHE 284 Ca 0.27 -0.12 -0.00 0.00 3.98 0.00 0.00 57.97 62.09 3iwk h PHE 284 Cb 0.14 -0.21 -0.00 0.00 2.56 0.00 0.00 35.95 38.44 3iwk h PHE 284 CO 0.02 0.77 -0.02 0.78 -2.02 0.00 0.00 178.31 177.84 3iwk h GLY 285 N 0.57 0.00 0.00 2.40 0.00 0.25 -2.85 103.07 103.44 3iwk h GLY 285 Ca 0.12 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.41 3iwk h GLY 285 CO 0.02 0.00 -1.22 0.00 0.00 0.00 0.00 176.54 175.34 3iwk n PHE 287 N -2.01 0.00 -1.59 0.00 0.99 0.33 -4.01 117.46 111.17 3iwk n PHE 287 Ca -0.04 0.00 -0.39 0.00 -0.00 0.00 0.00 57.45 57.02 3iwk n PHE 287 Cb 0.49 -0.44 0.04 0.00 -1.00 0.00 0.00 39.48 38.57 3iwk n PHE 287 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 3iwk n PHE 288 N -2.15 0.67 -2.78 1.38 -0.00 -1.08 -1.29 117.46 112.21 3iwk n PHE 288 Ca -0.06 0.46 -0.19 0.00 -0.00 0.00 0.00 57.45 57.66 3iwk n PHE 288 Cb 0.51 -2.13 0.01 0.00 -0.00 0.00 0.00 39.48 37.87 3iwk n PHE 288 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.76 179.17 3iwk n THR 289 N -1.41 -1.17 -2.21 -2.13 -1.04 -1.26 -0.42 114.28 104.63 3iwk n THR 289 Ca 0.12 0.00 -0.20 0.00 -2.04 0.00 0.00 64.05 61.93 3iwk n THR 289 Cb 0.45 -2.55 -0.03 0.00 -1.82 0.00 0.00 70.33 66.39 3iwk n THR 289 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3iwk n ASN 290 N -2.16 -5.76 -0.03 8.00 3.02 -0.86 -1.85 115.26 115.62 3iwk n ASN 290 Ca -0.13 0.10 -0.00 0.00 -0.03 0.00 0.00 54.58 54.51 3iwk n ASN 290 Cb 0.62 -4.84 -0.00 0.00 -0.61 0.00 0.00 39.78 34.95 3iwk n ASN 290 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3iwk n GLY 291 N -0.89 0.45 2.73 7.41 0.00 0.44 -2.99 105.19 112.35 3iwk n GLY 291 Ca -0.24 -0.13 -0.40 0.00 0.00 0.00 0.00 46.02 45.25 3iwk n GLY 291 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3iwk n GLN 292 N -2.44 4.52 -4.45 1.61 6.02 -0.77 -3.13 117.38 118.74 3iwk n GLN 292 Ca -0.00 -4.30 -0.34 0.00 -0.01 0.00 0.00 57.00 52.34 3iwk n GLN 292 Cb 0.08 -2.40 -0.10 0.00 1.02 0.00 0.00 30.24 28.84 3iwk n GLN 292 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3iwk s ILE 293 N -4.59 4.08 0.23 5.09 1.01 -1.26 -4.85 121.20 120.90 3iwk s ILE 293 Ca 0.43 -0.33 -0.06 0.00 0.00 0.00 0.00 60.65 60.70 3iwk s ILE 293 Cb 0.27 -2.71 0.13 0.00 0.01 0.00 0.00 42.46 40.16 3iwk s ILE 293 CO -0.22 0.59 1.75 0.00 0.00 0.00 0.00 174.94 177.05 3iwk n SER 295 N -4.24 4.94 -4.55 0.00 3.41 -1.26 -2.83 113.62 109.09 3iwk n SER 295 Ca 0.05 -2.56 -0.54 0.00 -0.26 0.00 0.00 58.87 55.56 3iwk n SER 295 Cb 0.26 -0.61 -0.07 0.00 -0.26 0.00 0.00 64.21 63.54 3iwk n SER 295 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3iwk n ALA 296 N 0.99 -2.05 -2.87 7.33 0.00 -1.11 -4.66 120.51 118.15 3iwk n ALA 296 Ca 0.26 0.54 -0.44 0.00 0.00 0.00 0.00 53.44 53.81 3iwk n ALA 296 Cb 0.96 -1.94 -0.01 0.00 0.00 0.00 0.00 19.45 18.45 3iwk n ALA 296 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3iwk s THR 297 N 0.22 4.73 -2.54 0.00 -4.23 0.04 -3.17 115.64 110.68 3iwk s THR 297 Ca 0.86 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 59.58 3iwk s THR 297 Cb -1.07 -4.90 0.19 0.00 1.34 0.00 0.00 72.50 68.06 3iwk s THR 297 CO 0.51 -1.64 1.18 -1.54 -0.54 0.00 0.00 174.62 172.59 3iwk n SER 298 N 6.54 2.80 -4.14 3.99 3.41 -0.68 -4.24 113.62 121.31 3iwk n SER 298 Ca 0.33 -1.88 -0.34 0.00 -0.26 0.00 0.00 58.87 56.71 3iwk n SER 298 Cb 0.46 -0.03 -0.14 0.00 -0.26 0.00 0.00 64.21 64.25 3iwk n SER 298 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3iwk s ARG 299 N -1.69 2.24 -0.05 4.33 0.52 -1.03 -0.87 118.95 122.41 3iwk s ARG 299 Ca 0.26 -1.44 -0.23 0.00 -0.52 0.00 0.00 55.73 53.80 3iwk s ARG 299 Cb 0.18 -3.23 -0.04 0.00 0.52 0.00 0.00 34.95 32.37 3iwk s ARG 299 CO 0.26 -0.73 0.68 -1.17 0.02 0.00 0.00 175.30 174.36 3iwk s LEU 300 N 1.18 4.35 -0.51 2.53 0.20 0.18 -0.41 118.68 126.19 3iwk s LEU 300 Ca -0.01 1.20 0.03 0.00 0.69 0.00 0.00 54.13 56.04 3iwk s LEU 300 Cb -0.20 -3.06 0.14 0.00 -0.43 0.00 0.00 46.19 42.64 3iwk s LEU 300 CO -0.03 -0.06 0.30 -0.63 -0.29 0.00 0.00 176.35 175.64 3iwk s ILE 301 N 0.54 1.96 0.07 6.68 1.01 0.35 -0.97 121.20 130.84 3iwk s ILE 301 Ca 0.36 -3.14 -0.04 0.00 0.00 0.00 0.00 60.65 57.84 3iwk s ILE 301 Cb -0.18 -2.35 -0.05 0.00 0.01 0.00 0.00 42.46 39.90 3iwk s ILE 301 CO 0.18 -0.92 0.29 0.68 0.00 0.00 0.00 174.94 175.18 3iwk s VAL 302 N -0.23 5.28 0.15 2.92 -7.23 -0.99 -1.55 120.40 118.75 3iwk s VAL 302 Ca 0.20 -0.05 -0.31 0.00 -1.81 0.00 0.00 61.98 60.02 3iwk s VAL 302 Cb -0.18 -3.61 -0.08 0.00 0.56 0.00 0.00 36.38 33.07 3iwk s VAL 302 CO -0.05 0.18 1.35 -2.28 -0.31 0.00 0.00 175.10 173.99 3iwk s HIS 303 N -1.50 3.25 0.37 2.82 2.46 -0.90 -0.67 115.29 121.13 3iwk s HIS 303 Ca 0.35 1.08 0.13 0.00 0.47 0.00 0.00 55.06 57.09 3iwk s HIS 303 Cb -0.13 -3.64 0.95 0.00 -0.13 0.00 0.00 32.58 29.63 3iwk s HIS 303 CO 0.23 -2.14 1.81 1.05 -2.47 0.00 0.00 174.74 173.22 3iwk h GLU 304 N 6.17 0.54 -0.63 2.88 4.11 -0.99 -0.94 114.58 125.72 3iwk h GLU 304 Ca -0.43 -0.03 -0.02 0.00 0.07 0.00 0.00 59.36 58.95 3iwk h GLU 304 Cb 1.21 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 30.31 3iwk h GLU 304 CO 0.82 0.36 0.32 0.66 0.07 0.00 0.00 179.01 181.24 3iwk h SER 305 N 0.55 0.79 -0.00 3.06 4.64 -1.91 -3.06 113.55 117.62 3iwk h SER 305 Ca 0.53 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.78 3iwk h SER 305 Cb 1.10 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 3iwk h SER 305 CO -0.27 0.66 -0.79 2.30 -0.87 0.00 0.00 176.83 177.85 3iwk n ILE 306 N -4.36 0.00 -0.24 0.95 -5.35 -0.76 -4.72 119.36 104.88 3iwk n ILE 306 Ca 0.06 -0.10 0.04 0.00 -0.27 0.00 0.00 62.75 62.48 3iwk n ILE 306 Cb 0.12 1.03 0.17 0.00 -1.74 0.00 0.00 39.64 39.22 3iwk n ILE 306 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3iwk h ALA 307 N 2.70 0.95 -0.24 -1.28 0.00 -1.09 -1.53 119.26 118.77 3iwk h ALA 307 Ca 0.00 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3iwk h ALA 307 Cb 0.47 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3iwk h ALA 307 CO 0.00 -0.28 0.10 -0.39 0.00 0.00 0.00 179.25 178.69 3iwk h VAL 308 N 0.34 1.16 0.00 0.00 -1.51 -1.84 -1.16 116.25 113.23 3iwk h VAL 308 Ca 0.39 -0.47 -0.17 0.00 -1.23 0.00 0.00 66.70 65.23 3iwk h VAL 308 Cb 0.62 1.02 -0.03 0.00 -2.13 0.00 0.00 31.29 30.78 3iwk h VAL 308 CO -0.44 0.16 -1.10 1.05 -1.23 0.00 0.00 177.57 176.01 3iwk h GLU 309 N 0.25 0.00 -0.31 5.19 4.11 -1.88 -2.87 114.58 119.06 3iwk h GLU 309 Ca 0.08 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.45 3iwk h GLU 309 Cb 0.15 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 3iwk h GLU 309 CO -0.01 0.50 -0.04 0.35 0.07 0.00 0.00 179.01 179.88 3iwk h PHE 310 N 0.00 0.64 0.00 2.06 3.57 -1.24 -2.01 116.94 119.97 3iwk h PHE 310 Ca -0.10 -0.13 -0.09 0.00 3.53 0.00 0.00 57.97 61.18 3iwk h PHE 310 Cb 1.61 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 40.18 3iwk h PHE 310 CO 0.00 0.74 -0.43 0.28 -2.23 0.00 0.00 178.31 176.68 3iwk h VAL 311 N 0.36 1.11 -0.40 1.41 2.07 -1.31 -1.87 116.25 117.62 3iwk h VAL 311 Ca 0.08 -1.57 -0.10 0.00 0.82 0.00 0.00 66.70 65.93 3iwk h VAL 311 Cb 0.52 1.90 -0.01 0.00 -1.52 0.00 0.00 31.29 32.17 3iwk h VAL 311 CO 0.02 0.42 -0.13 -0.78 0.02 0.00 0.00 177.57 177.13 3iwk h ASP 312 N 0.00 0.81 -0.90 0.57 -0.00 -1.41 -2.43 116.42 113.06 3iwk h ASP 312 Ca -0.00 -0.38 -0.02 0.00 -0.00 0.00 0.00 57.03 56.63 3iwk h ASP 312 Cb 0.86 -0.22 -0.04 0.00 -0.00 0.00 0.00 39.33 39.93 3iwk h ASP 312 CO 0.06 1.00 0.50 0.11 -0.00 0.00 0.00 179.24 180.90 3iwk h LYS 313 N 0.61 1.25 -0.88 0.28 1.57 -1.14 -2.16 116.57 116.10 3iwk h LYS 313 Ca 0.10 -0.14 0.10 0.00 -1.87 0.00 0.00 60.65 58.84 3iwk h LYS 313 Cb 0.66 -0.25 -0.08 0.00 0.08 0.00 0.00 32.23 32.65 3iwk h LYS 313 CO 0.05 0.91 0.52 -0.07 -0.57 0.00 0.00 179.45 180.28 3iwk h LEU 314 N 1.26 0.75 -0.33 2.94 4.07 -1.18 -0.36 115.31 122.45 3iwk h LEU 314 Ca 0.32 0.05 -0.04 0.00 0.08 0.00 0.00 57.88 58.29 3iwk h LEU 314 Cb 0.02 -0.10 -0.01 0.00 1.08 0.00 0.00 40.66 41.65 3iwk h LEU 314 CO -0.05 0.41 0.06 0.58 -1.08 0.00 0.00 178.44 178.36 3iwk h VAL 315 N 0.85 1.23 -0.05 1.22 2.07 -1.01 -0.74 116.25 119.82 3iwk h VAL 315 Ca 0.43 -0.81 0.01 0.00 0.82 0.00 0.00 66.70 67.15 3iwk h VAL 315 Cb 0.40 1.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 3iwk h VAL 315 CO -0.25 0.27 -0.02 0.11 0.02 0.00 0.00 177.57 177.70 3iwk h LYS 316 N 0.38 -0.01 -0.10 1.57 1.79 -0.76 -0.24 116.57 119.21 3iwk h LYS 316 Ca 0.10 0.00 0.01 0.00 -2.18 0.00 0.00 60.65 58.58 3iwk h LYS 316 Cb 0.34 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.98 3iwk h LYS 316 CO 0.01 -0.01 0.05 -1.49 -1.08 0.00 0.00 179.45 176.92 3iwk h TRP 317 N -0.01 0.09 -0.96 -1.35 4.06 -1.08 -2.36 115.95 114.33 3iwk h TRP 317 Ca 0.03 0.00 0.09 0.00 2.06 0.00 0.00 58.89 61.07 3iwk h TRP 317 Cb 0.05 -0.02 -0.07 0.00 -1.00 0.00 0.00 29.16 28.11 3iwk h TRP 317 CO -0.12 0.05 0.60 0.00 -3.56 0.00 0.00 178.44 175.41 3iwk h ALA 318 N 1.05 1.39 0.00 1.49 0.00 -0.79 -1.30 119.26 121.10 3iwk h ALA 318 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3iwk h ALA 318 Cb 0.01 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.56 3iwk h ALA 318 CO -0.03 0.29 0.00 0.93 0.00 0.00 0.00 179.25 180.44 3iwk h GLU 319 N 1.03 0.00 -0.01 0.00 5.08 -0.90 -2.97 114.58 116.81 3iwk h GLU 319 Ca 0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.81 3iwk h GLU 319 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 3iwk h GLU 319 CO -0.22 0.00 -0.27 -1.71 -1.00 0.00 0.00 179.01 175.81 3iwk n ASN 320 N -2.91 0.92 -4.67 1.42 5.15 -0.54 -4.85 115.26 109.77 3iwk n ASN 320 Ca 0.04 -0.79 -0.42 0.00 -0.60 0.00 0.00 54.58 52.80 3iwk n ASN 320 Cb 0.46 0.12 -0.03 0.00 -0.53 0.00 0.00 39.78 39.81 3iwk n ASN 320 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3iwk s ILE 321 N -2.55 3.38 -0.31 -1.44 1.01 -0.89 -4.96 121.20 115.43 3iwk s ILE 321 Ca 0.23 0.64 -0.27 0.00 0.00 0.00 0.00 60.65 61.25 3iwk s ILE 321 Cb 0.19 -3.41 0.01 0.00 0.01 0.00 0.00 42.46 39.26 3iwk s ILE 321 CO 0.53 -0.03 0.96 -0.75 0.00 0.00 0.00 174.94 175.65 3iwk s LYS 322 N 3.41 4.02 -0.17 2.79 2.36 -1.26 -4.91 119.74 125.98 3iwk s LYS 322 Ca 0.73 0.88 -0.03 0.00 -2.55 0.00 0.00 55.97 55.00 3iwk s LYS 322 Cb -0.36 -3.74 -0.02 0.00 -1.05 0.00 0.00 37.83 32.67 3iwk s LYS 322 CO 0.31 -0.82 -0.06 0.96 1.55 0.00 0.00 175.35 177.29 3iwk s ILE 323 N 3.38 3.52 0.03 5.43 -5.25 -1.26 0.27 121.20 127.32 3iwk s ILE 323 Ca 0.40 -0.48 -0.02 0.00 -0.99 0.00 0.00 60.65 59.56 3iwk s ILE 323 Cb -0.13 -2.54 0.01 0.00 2.95 0.00 0.00 42.46 42.74 3iwk s ILE 323 CO 0.14 0.48 0.12 -1.54 -1.79 0.00 0.00 174.94 172.35 3iwk n SER 324 N 3.93 -0.24 -4.65 4.36 3.41 -0.96 -4.98 113.62 114.49 3iwk n SER 324 Ca -0.18 -1.14 -0.45 0.00 -0.26 0.00 0.00 58.87 56.85 3iwk n SER 324 Cb 0.52 0.39 -0.02 0.00 -0.26 0.00 0.00 64.21 64.84 3iwk n SER 324 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3iwk n ASP 325 N -0.77 2.34 0.07 4.04 2.03 -1.26 -4.43 116.55 118.56 3iwk n ASP 325 Ca -0.00 1.16 0.05 0.00 0.52 0.00 0.00 54.79 56.52 3iwk n ASP 325 Cb 0.07 -1.39 0.26 0.00 -0.72 0.00 0.00 41.12 39.34 3iwk n ASP 325 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 3iwk n PRO 326 N 1.43 0.06 -0.00 -0.67 -0.04 -1.26 -2.19 135.00 132.33 3iwk n PRO 326 Ca 0.10 0.55 0.09 0.00 -0.04 0.00 0.00 63.50 64.20 3iwk n PRO 326 Cb 0.32 -1.69 -0.11 0.00 -0.04 0.00 0.00 33.50 31.97 3iwk n PRO 326 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3iwk n LEU 327 N -1.82 0.76 -4.76 1.53 4.77 -1.26 -0.25 117.00 115.98 3iwk n LEU 327 Ca -0.00 -0.43 -0.34 0.00 -0.03 0.00 0.00 56.01 55.21 3iwk n LEU 327 Cb 0.02 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.17 3iwk n LEU 327 CO 0.05 0.19 0.76 -0.70 -1.33 0.00 0.00 177.39 176.36 3iwk s GLU 328 N -2.87 2.71 0.14 3.23 2.12 -0.93 -4.96 118.70 118.13 3iwk s GLU 328 Ca 0.05 1.52 -0.19 0.00 0.36 0.00 0.00 54.97 56.71 3iwk s GLU 328 Cb 0.14 -1.93 0.01 0.00 0.26 0.00 0.00 34.13 32.61 3iwk s GLU 328 CO 0.78 -1.35 1.69 1.49 -0.54 0.00 0.00 175.26 177.34 3iwk h GLU 329 N 0.12 0.01 -0.13 4.30 4.81 -1.93 -2.99 114.58 118.77 3iwk h GLU 329 Ca -0.47 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 3iwk h GLU 329 Cb 1.26 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.64 3iwk h GLU 329 CO 0.53 0.00 0.00 0.41 -0.73 0.00 0.00 179.01 179.23 3iwk n GLY 330 N -1.23 0.81 3.53 1.92 0.00 -1.26 -5.01 105.19 103.96 3iwk n GLY 330 Ca -0.01 -0.60 -0.58 0.00 0.00 0.00 0.00 46.02 44.83 3iwk n GLY 330 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iwk n ARG 332 N 1.84 2.52 -3.71 0.00 5.12 0.14 -4.84 116.66 117.73 3iwk n ARG 332 Ca 0.20 -0.04 -0.12 0.00 -1.93 0.00 0.00 57.85 55.96 3iwk n ARG 332 Cb 0.10 -0.33 -0.13 0.00 -1.16 0.00 0.00 32.46 30.95 3iwk n ARG 332 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 3iwk s LEU 333 N -0.74 0.23 0.00 0.55 2.96 -0.79 -4.86 118.68 116.03 3iwk s LEU 333 Ca 0.00 0.62 0.02 0.00 -0.22 0.00 0.00 54.13 54.55 3iwk s LEU 333 Cb 0.00 0.88 0.02 0.00 0.50 0.00 0.00 46.19 47.59 3iwk s LEU 333 CO 0.00 -0.18 0.18 0.61 -1.32 0.00 0.00 176.35 175.65 3iwk n GLY 334 N 4.34 2.25 3.87 7.98 0.00 -1.26 -2.26 105.19 120.11 3iwk n GLY 334 Ca -0.23 -2.17 -0.31 0.00 0.00 0.00 0.00 46.02 43.31 3iwk n GLY 334 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3iwk s PRO 335 N -2.68 3.60 0.40 1.61 0.04 -1.24 -4.78 135.00 131.95 3iwk s PRO 335 Ca 0.14 0.78 -0.27 0.00 0.04 0.00 0.00 61.00 61.69 3iwk s PRO 335 Cb -0.01 -2.08 -0.09 0.00 0.04 0.00 0.00 34.50 32.35 3iwk s PRO 335 CO 0.09 -0.57 1.39 0.42 0.04 0.00 0.00 177.00 178.37 3iwk s ILE 336 N -3.13 2.32 0.38 0.56 -1.09 0.28 -4.74 121.20 115.78 3iwk s ILE 336 Ca 0.55 0.30 0.16 0.00 -2.23 0.00 0.00 60.65 59.43 3iwk s ILE 336 Cb -0.11 -3.18 0.37 0.00 -1.58 0.00 0.00 42.46 37.96 3iwk s ILE 336 CO 0.52 0.05 1.76 1.62 -1.23 0.00 0.00 174.94 177.67 3iwk h VAL 337 N 2.64 0.53 -3.46 2.92 3.04 -1.87 -3.42 116.25 116.62 3iwk h VAL 337 Ca -0.50 -0.15 -0.05 0.00 -1.01 0.00 0.00 66.70 64.99 3iwk h VAL 337 Cb 1.25 0.05 -0.07 0.00 -2.01 0.00 0.00 31.29 30.50 3iwk h VAL 337 CO 0.63 0.08 0.01 -0.94 -1.01 0.00 0.00 177.57 176.34 3iwk s SER 338 N -5.24 -0.01 0.05 3.17 1.04 -1.26 -4.50 113.70 106.96 3iwk s SER 338 Ca -0.09 -0.94 -0.23 0.00 0.48 0.00 0.00 55.95 55.17 3iwk s SER 338 Cb 0.26 0.66 -0.15 0.00 0.10 0.00 0.00 66.02 66.89 3iwk s SER 338 CO 0.80 -1.28 1.55 -0.08 0.98 0.00 0.00 173.24 175.21 3iwk h GLU 339 N 2.14 0.09 -0.58 4.02 4.81 -1.97 -0.79 114.58 122.30 3iwk h GLU 339 Ca -0.25 -0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.04 3iwk h GLU 339 Cb 1.25 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 30.55 3iwk h GLU 339 CO 0.33 0.28 0.24 0.00 -0.73 0.00 0.00 179.01 179.13 3iwk h ALA 340 N 0.81 0.75 -0.39 2.92 0.00 -1.99 -0.12 119.26 121.24 3iwk h ALA 340 Ca 0.02 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 3iwk h ALA 340 Cb 0.22 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3iwk h ALA 340 CO -0.00 -0.16 -0.05 1.96 0.00 0.00 0.00 179.25 181.00 3iwk h GLN 341 N 0.44 0.73 -0.35 0.00 1.08 -1.96 -2.27 115.11 112.77 3iwk h GLN 341 Ca 0.29 -0.26 0.07 0.00 -1.45 0.00 0.00 58.65 57.29 3iwk h GLN 341 Cb 0.31 -0.05 -0.06 0.00 -0.05 0.00 0.00 27.48 27.63 3iwk h GLN 341 CO -0.26 0.85 -0.04 -0.92 -0.95 0.00 0.00 178.83 177.50 3iwk h TYR 342 N 0.54 -0.09 -0.80 2.96 3.20 -0.44 -0.13 116.97 122.21 3iwk h TYR 342 Ca 0.11 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.98 3iwk h TYR 342 Cb 0.55 0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.87 3iwk h TYR 342 CO 0.04 -0.10 0.40 0.87 -1.64 0.00 0.00 178.16 177.73 3iwk h LYS 343 N 0.05 1.15 -0.73 1.82 1.57 -0.99 -2.05 116.57 117.40 3iwk h LYS 343 Ca 0.17 -0.16 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 3iwk h LYS 343 Cb 0.25 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 3iwk h LYS 343 CO -0.32 0.87 0.36 0.87 -0.57 0.00 0.00 179.45 180.67 3iwk h LYS 344 N 1.14 1.04 -0.40 3.15 1.57 -0.73 -0.12 116.57 122.22 3iwk h LYS 344 Ca 0.28 -0.14 -0.04 0.00 -1.87 0.00 0.00 60.65 58.87 3iwk h LYS 344 Cb 0.10 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 3iwk h LYS 344 CO -0.04 0.80 0.10 0.28 -0.57 0.00 0.00 179.45 180.02 3iwk h VAL 345 N 1.01 1.23 -0.22 0.50 2.07 -0.86 -1.68 116.25 118.31 3iwk h VAL 345 Ca 0.25 -0.80 -0.10 0.00 0.82 0.00 0.00 66.70 66.88 3iwk h VAL 345 Cb 0.09 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 3iwk h VAL 345 CO -0.03 0.28 -0.28 -0.07 0.02 0.00 0.00 177.57 177.48 3iwk h LEU 346 N 0.51 0.43 -1.13 2.57 3.38 -1.21 -2.57 115.31 117.30 3iwk h LEU 346 Ca 0.13 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 3iwk h LEU 346 Cb 0.32 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 3iwk h LEU 346 CO 0.00 0.70 -0.39 0.78 0.09 0.00 0.00 178.44 179.63 3iwk h ASN 347 N 0.38 0.09 -0.66 -0.43 2.35 -0.85 -2.20 115.58 114.27 3iwk h ASN 347 Ca 0.05 -0.04 -0.07 0.00 -0.55 0.00 0.00 56.30 55.70 3iwk h ASN 347 Cb 0.69 -0.03 -0.03 0.00 0.05 0.00 0.00 38.32 39.00 3iwk h ASN 347 CO 0.05 0.48 0.16 0.00 -1.65 0.00 0.00 177.43 176.47 3iwk h ILE 349 N 1.02 1.27 -0.27 0.00 2.04 -1.34 -2.24 117.51 117.99 3iwk h ILE 349 Ca 0.21 -1.71 -0.00 0.00 1.00 0.00 0.00 64.86 64.36 3iwk h ILE 349 Cb 0.36 1.62 -0.01 0.00 -0.74 0.00 0.00 36.82 38.05 3iwk h ILE 349 CO 0.00 0.56 0.16 0.28 0.00 0.00 0.00 178.15 179.15 3iwk h SER 350 N 0.67 0.33 -0.74 1.72 0.02 -1.28 -2.51 113.55 111.76 3iwk h SER 350 Ca 0.02 -0.07 0.07 0.00 -0.84 0.00 0.00 61.79 60.97 3iwk h SER 350 Cb 1.14 -0.08 -0.05 0.00 0.14 0.00 0.00 62.40 63.55 3iwk h SER 350 CO 0.12 0.30 0.49 0.28 -1.14 0.00 0.00 176.83 176.88 3iwk h SER 351 N 0.34 0.66 -0.21 3.07 0.02 -0.91 0.16 113.55 116.67 3iwk h SER 351 Ca 0.10 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3iwk h SER 351 Cb 0.04 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 3iwk h SER 351 CO -0.02 0.42 0.12 0.00 -1.14 0.00 0.00 176.83 176.21 3iwk h ALA 352 N 1.61 0.27 -0.56 3.77 0.00 -1.13 -2.21 119.26 121.00 3iwk h ALA 352 Ca 0.33 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 3iwk h ALA 352 Cb 0.32 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3iwk h ALA 352 CO -0.11 -0.21 0.35 0.87 0.00 0.00 0.00 179.25 180.15 3iwk h LYS 353 N 0.24 0.76 -1.01 0.00 1.57 -0.82 -1.28 116.57 116.02 3iwk h LYS 353 Ca 0.07 -0.06 0.25 0.00 -1.87 0.00 0.00 60.65 59.04 3iwk h LYS 353 Cb 0.06 -0.16 -0.12 0.00 0.08 0.00 0.00 32.23 32.09 3iwk h LYS 353 CO -0.01 0.54 0.61 0.77 -0.57 0.00 0.00 179.45 180.79 3iwk h SER 354 N 0.76 0.63 0.08 0.86 0.02 -0.51 -1.08 113.55 114.31 3iwk h SER 354 Ca 0.20 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.28 3iwk h SER 354 Cb -0.03 0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.54 3iwk h SER 354 CO -0.04 0.09 -0.14 -0.62 -1.14 0.00 0.00 176.83 174.99 3iwk n GLU 355 N -4.84 1.39 -0.09 3.45 1.02 -0.85 -4.94 120.64 115.78 3iwk n GLU 355 Ca 0.27 -0.90 0.00 0.00 -0.02 0.00 0.00 57.16 56.51 3iwk n GLU 355 Cb 0.78 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.72 3iwk n GLU 355 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3iwk n GLY 356 N 1.28 1.69 3.92 0.62 0.00 -0.41 -5.04 105.19 107.25 3iwk n GLY 356 Ca 0.15 -0.05 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 3iwk n GLY 356 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iwk s ALA 357 N -2.00 3.66 -0.19 4.61 0.00 -0.53 -4.93 121.76 122.37 3iwk s ALA 357 Ca 0.00 -0.69 -0.07 0.00 0.00 0.00 0.00 51.96 51.19 3iwk s ALA 357 Cb 0.00 -2.22 -0.04 0.00 0.00 0.00 0.00 23.12 20.86 3iwk s ALA 357 CO 0.00 0.15 0.07 0.99 0.00 0.00 0.00 175.76 176.97 3iwk s THR 358 N -2.17 4.72 -0.34 0.00 2.01 -0.19 -4.36 115.64 115.32 3iwk s THR 358 Ca 0.42 -0.05 -0.23 0.00 0.31 0.00 0.00 61.69 62.14 3iwk s THR 358 Cb -0.10 -3.14 0.00 0.00 0.01 0.00 0.00 72.50 69.27 3iwk s THR 358 CO 0.33 0.44 0.76 -0.63 -0.69 0.00 0.00 174.62 174.82 3iwk s ILE 359 N 0.60 4.79 -0.05 1.82 -1.09 -1.26 0.34 121.20 126.34 3iwk s ILE 359 Ca 0.03 0.95 0.13 0.00 -2.23 0.00 0.00 60.65 59.54 3iwk s ILE 359 Cb -0.13 -4.16 -0.18 0.00 -1.58 0.00 0.00 42.46 36.41 3iwk s ILE 359 CO 0.01 -0.34 0.86 -0.07 -1.23 0.00 0.00 174.94 174.18 3iwk h LEU 360 N 9.56 0.00 -7.15 2.97 3.38 -1.58 -3.49 115.31 119.01 3iwk h LEU 360 Ca -0.25 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.74 3iwk h LEU 360 Cb 1.10 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.73 3iwk h LEU 360 CO 0.88 0.84 0.28 0.28 0.09 0.00 0.00 178.44 180.81 3iwk s THR 361 N -2.74 0.00 0.00 0.22 -1.32 -1.22 -5.00 115.64 105.59 3iwk s THR 361 Ca -0.03 -0.15 0.00 0.00 -1.21 0.00 0.00 61.69 60.31 3iwk s THR 361 Cb 0.08 -1.16 0.00 0.00 -1.51 0.00 0.00 72.50 69.91 3iwk s THR 361 CO 0.81 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.83 3iwk n GLY 362 N -0.37 1.79 1.95 6.08 0.00 -1.25 -2.69 105.19 110.71 3iwk n GLY 362 Ca -0.13 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.28 3iwk n GLY 362 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iwk n GLY 363 N 0.00 0.40 3.82 -0.02 0.00 -1.26 -4.97 105.19 103.16 3iwk n GLY 363 Ca 0.00 -1.06 -0.06 0.00 0.00 0.00 0.00 46.02 44.90 3iwk n GLY 363 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3iwk s ARG 364 N -2.10 1.64 0.28 1.61 1.70 -1.26 -5.02 118.95 115.80 3iwk s ARG 364 Ca 0.00 -0.90 -0.30 0.00 -0.47 0.00 0.00 55.73 54.06 3iwk s ARG 364 Cb 0.00 0.57 -0.12 0.00 -0.57 0.00 0.00 34.95 34.82 3iwk s ARG 364 CO 0.00 -0.75 1.48 0.54 -1.08 0.00 0.00 175.30 175.49 3iwk n ARG 365 N -0.46 2.35 -2.36 3.89 5.12 -1.26 -1.41 116.66 122.52 3iwk n ARG 365 Ca -0.05 0.83 -0.41 0.00 -1.93 0.00 0.00 57.85 56.30 3iwk n ARG 365 Cb 0.60 -2.54 -0.04 0.00 -1.16 0.00 0.00 32.46 29.32 3iwk n ARG 365 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 3iwk s PRO 366 N -0.66 4.54 0.42 5.56 0.04 -1.26 -4.85 135.00 138.79 3iwk s PRO 366 Ca 0.65 1.92 0.17 0.00 0.04 0.00 0.00 61.00 63.77 3iwk s PRO 366 Cb -0.57 -3.17 0.93 0.00 0.04 0.00 0.00 34.50 31.73 3iwk s PRO 366 CO 0.51 0.05 1.90 1.49 0.04 0.00 0.00 177.00 181.00 3iwk h GLU 367 N 4.00 0.00 0.00 4.56 4.22 -2.01 -3.10 114.58 122.25 3iwk h GLU 367 Ca -0.47 0.00 -0.05 0.00 0.08 0.00 0.00 59.36 58.92 3iwk h GLU 367 Cb 1.22 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 3iwk h GLU 367 CO 0.68 0.28 -0.24 1.12 -2.18 0.00 0.00 179.01 178.67 3iwk h HIS 368 N 0.00 0.00 0.17 0.92 2.07 -1.99 -3.37 115.15 112.94 3iwk h HIS 368 Ca -0.00 0.00 -0.29 0.00 -2.85 0.00 0.00 60.37 57.23 3iwk h HIS 368 Cb 0.54 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.53 3iwk h HIS 368 CO 0.00 0.24 -1.38 -0.07 -3.07 0.00 0.00 177.93 173.65 3iwk h LEU 369 N 0.00 0.55 0.00 6.12 -0.00 -1.93 -3.47 115.31 116.57 3iwk h LEU 369 Ca -0.00 -0.91 0.00 0.00 -0.00 0.00 0.00 57.88 56.97 3iwk h LEU 369 Cb 1.11 -0.18 0.00 0.00 -0.00 0.00 0.00 40.66 41.59 3iwk h LEU 369 CO 0.03 1.63 0.00 0.29 -0.00 0.00 0.00 178.44 180.39 3iwk n LYS 370 N -3.85 0.00 -3.29 1.13 4.76 -1.26 -4.75 118.16 110.91 3iwk n LYS 370 Ca -0.21 0.00 -0.19 0.00 -2.87 0.00 0.00 58.31 55.04 3iwk n LYS 370 Cb 0.96 0.00 -0.00 0.00 -1.84 0.00 0.00 35.03 34.15 3iwk n LYS 370 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3iwk s LYS 371 N 0.00 2.61 0.00 1.97 -0.14 -1.26 -5.05 119.74 117.87 3iwk s LYS 371 Ca 0.00 -1.45 0.00 0.00 -1.36 0.00 0.00 55.97 53.16 3iwk s LYS 371 Cb 0.00 -2.55 0.00 0.00 -1.68 0.00 0.00 37.83 33.60 3iwk s LYS 371 CO 0.00 -0.33 0.00 0.41 -0.76 0.00 0.00 175.35 174.67 3iwk n GLY 372 N -1.77 -1.18 2.62 -3.33 0.00 -1.23 -4.71 105.19 95.58 3iwk n GLY 372 Ca 0.07 -1.57 -0.41 0.00 0.00 0.00 0.00 46.02 44.11 3iwk n GLY 372 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3iwk n TYR 373 N -0.76 2.70 -3.72 1.61 0.53 -0.00 -4.97 117.16 112.55 3iwk n TYR 373 Ca 0.00 -2.82 -0.36 0.00 -1.02 0.00 0.00 57.90 53.71 3iwk n TYR 373 Cb 0.00 -1.89 -0.06 0.00 -1.03 0.00 0.00 39.34 36.36 3iwk n TYR 373 CO 0.00 0.00 0.00 -0.06 -1.02 0.00 0.00 176.86 175.78 3iwk s PHE 374 N -0.51 3.62 -0.02 -0.72 0.40 -1.26 0.10 117.98 119.59 3iwk s PHE 374 Ca 0.49 0.67 0.01 0.00 -0.60 0.00 0.00 56.93 57.50 3iwk s PHE 374 Cb 0.15 -2.05 0.01 0.00 0.51 0.00 0.00 43.02 41.64 3iwk s PHE 374 CO -0.06 0.65 -0.03 0.08 0.70 0.00 0.00 175.22 176.56 3iwk s VAL 375 N -1.19 0.31 0.53 -0.44 1.01 -1.26 -4.44 120.40 114.93 3iwk s VAL 375 Ca 0.24 -0.06 -0.21 0.00 0.00 0.00 0.00 61.98 61.94 3iwk s VAL 375 Cb -0.14 -0.34 -0.05 0.00 0.00 0.00 0.00 36.38 35.85 3iwk s VAL 375 CO 0.12 0.14 1.25 -1.61 0.00 0.00 0.00 175.10 175.00 3iwk s GLU 376 N 0.56 3.32 -0.01 2.72 2.02 -0.50 -4.92 118.70 121.88 3iwk s GLU 376 Ca -0.06 1.95 -0.30 0.00 0.02 0.00 0.00 54.97 56.58 3iwk s GLU 376 Cb -0.09 -2.22 -0.09 0.00 0.10 0.00 0.00 34.13 31.83 3iwk s GLU 376 CO -0.01 -0.96 2.00 -2.30 0.02 0.00 0.00 175.26 174.01 3iwk n PRO 377 N -0.99 2.67 -4.26 0.39 -0.02 -1.26 -4.05 135.00 127.49 3iwk n PRO 377 Ca 0.10 0.96 -0.34 0.00 -2.02 0.00 0.00 63.50 62.20 3iwk n PRO 377 Cb 0.47 -2.99 -0.12 0.00 -0.02 0.00 0.00 33.50 30.85 3iwk n PRO 377 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3iwk s THR 378 N 4.89 4.07 -0.10 3.45 2.01 0.68 -3.74 115.64 126.89 3iwk s THR 378 Ca 0.91 -0.29 0.03 0.00 0.31 0.00 0.00 61.69 62.65 3iwk s THR 378 Cb -0.46 -2.80 0.01 0.00 0.01 0.00 0.00 72.50 69.25 3iwk s THR 378 CO 0.43 0.47 -0.21 -0.51 -0.69 0.00 0.00 174.62 174.11 3iwk s ILE 379 N 0.51 1.84 0.10 1.82 -1.16 -1.09 -0.21 121.20 123.00 3iwk s ILE 379 Ca -0.02 -0.88 0.08 0.00 -0.51 0.00 0.00 60.65 59.33 3iwk s ILE 379 Cb -0.14 -1.61 -0.03 0.00 0.61 0.00 0.00 42.46 41.29 3iwk s ILE 379 CO 0.02 0.51 -0.21 0.27 -2.81 0.00 0.00 174.94 172.72 3iwk s ILE 380 N 0.53 1.76 0.10 2.00 -4.36 0.32 -1.33 121.20 120.22 3iwk s ILE 380 Ca -0.15 -1.51 0.02 0.00 -0.26 0.00 0.00 60.65 58.74 3iwk s ILE 380 Cb -0.17 -1.58 -0.01 0.00 1.25 0.00 0.00 42.46 41.95 3iwk s ILE 380 CO 0.05 -0.00 0.06 1.07 0.24 0.00 0.00 174.94 176.36 3iwk n THR 381 N 1.19 0.00 -3.89 8.37 5.66 0.15 -1.94 114.28 123.81 3iwk n THR 381 Ca -0.19 -0.64 -0.25 0.00 -3.05 0.00 0.00 64.05 59.92 3iwk n THR 381 Cb 0.53 0.28 -0.01 0.00 -1.55 0.00 0.00 70.33 69.58 3iwk n THR 381 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 3iwk n ASP 382 N -2.30 -0.56 -4.86 1.09 8.00 -1.26 -1.02 116.55 115.64 3iwk n ASP 382 Ca 0.00 -0.97 -0.35 0.00 0.71 0.00 0.00 54.79 54.18 3iwk n ASP 382 Cb 0.16 -3.27 -0.06 0.00 -0.02 0.00 0.00 41.12 37.94 3iwk n ASP 382 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3iwk s VAL 383 N -3.89 5.12 0.12 2.53 1.01 -1.26 -4.37 120.40 119.67 3iwk s VAL 383 Ca 0.01 0.47 0.08 0.00 0.00 0.00 0.00 61.98 62.54 3iwk s VAL 383 Cb -0.00 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.70 3iwk s VAL 383 CO 0.87 0.36 -0.11 -0.89 0.00 0.00 0.00 175.10 175.33 3iwk s THR 384 N -1.32 3.25 0.54 3.92 2.01 -1.26 -4.87 115.64 117.90 3iwk s THR 384 Ca 0.30 -1.39 0.30 0.00 0.31 0.00 0.00 61.69 61.21 3iwk s THR 384 Cb -0.14 -2.54 0.46 0.00 0.01 0.00 0.00 72.50 70.29 3iwk s THR 384 CO 0.17 0.06 1.92 0.74 -0.69 0.00 0.00 174.62 176.82 3iwk h THR 385 N 3.18 0.61 -0.00 -0.82 2.02 -2.00 -2.23 112.91 113.67 3iwk h THR 385 Ca -0.49 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.69 3iwk h THR 385 Cb 1.17 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 68.19 3iwk h THR 385 CO 0.51 0.00 -0.42 -1.54 0.37 0.00 0.00 175.52 174.44 3iwk n SER 386 N -4.30 0.53 -4.79 4.18 3.41 -1.26 -4.71 113.62 106.68 3iwk n SER 386 Ca 0.16 -0.29 -0.33 0.00 -0.26 0.00 0.00 58.87 58.15 3iwk n SER 386 Cb 0.86 0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.98 3iwk n SER 386 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 3iwk s MET 387 N -2.92 3.37 0.26 4.33 1.00 -0.84 -4.94 119.30 119.56 3iwk s MET 387 Ca 0.13 1.34 -0.04 0.00 0.00 0.00 0.00 55.69 57.12 3iwk s MET 387 Cb 0.18 -2.03 0.31 0.00 0.00 0.00 0.00 34.83 33.29 3iwk s MET 387 CO 0.66 -0.79 1.84 1.96 0.00 0.00 0.00 175.02 178.69 3iwk h GLN 388 N 0.79 1.05 0.00 2.03 4.20 -1.91 -2.35 115.11 118.92 3iwk h GLN 388 Ca -0.48 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.07 3iwk h GLN 388 Cb 1.23 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 28.83 3iwk h GLN 388 CO 0.57 0.83 0.00 -0.84 -0.67 0.00 0.00 178.83 178.73 3iwk h ILE 389 N 1.04 0.00 0.11 2.54 -0.00 -1.87 0.12 117.51 119.45 3iwk h ILE 389 Ca 0.25 -0.26 -0.34 0.00 -0.00 0.00 0.00 64.86 64.51 3iwk h ILE 389 Cb 0.15 1.06 -0.02 0.00 -0.00 0.00 0.00 36.82 38.01 3iwk h ILE 389 CO -0.03 0.00 -1.82 -0.25 -0.00 0.00 0.00 178.15 176.05 3iwk h TRP 390 N 0.00 0.43 0.08 0.16 2.91 -1.73 -3.42 115.95 114.38 3iwk h TRP 390 Ca 0.00 -0.31 -0.23 0.00 1.13 0.00 0.00 58.89 59.47 3iwk h TRP 390 Cb 0.32 -0.02 -0.01 0.00 -0.51 0.00 0.00 29.16 28.95 3iwk h TRP 390 CO 0.00 1.56 -1.21 0.00 -1.03 0.00 0.00 178.44 177.75 3iwk h ARG 391 N 0.06 0.17 -6.11 2.65 3.08 -1.11 -3.49 114.38 109.64 3iwk h ARG 391 Ca -0.35 -0.29 -0.64 0.00 0.07 0.00 0.00 59.98 58.77 3iwk h ARG 391 Cb 2.04 0.11 -0.08 0.00 0.08 0.00 0.00 29.97 32.12 3iwk h ARG 391 CO 0.11 1.14 -0.58 -1.21 -1.07 0.00 0.00 179.97 178.37 3iwk s GLU 392 N -2.42 3.02 -0.07 0.04 0.41 0.39 -4.91 118.70 115.15 3iwk s GLU 392 Ca -0.21 -0.61 -0.30 0.00 -0.41 0.00 0.00 54.97 53.43 3iwk s GLU 392 Cb 0.04 -2.81 -0.03 0.00 -1.78 0.00 0.00 34.13 29.55 3iwk s GLU 392 CO 0.72 0.58 1.28 -2.00 -0.49 0.00 0.00 175.26 175.36 3iwk s GLU 393 N -2.34 4.30 -0.06 1.61 2.12 -1.26 -4.73 118.70 118.34 3iwk s GLU 393 Ca 0.30 1.76 -0.16 0.00 0.36 0.00 0.00 54.97 57.23 3iwk s GLU 393 Cb -0.12 -3.64 -0.30 0.00 0.26 0.00 0.00 34.13 30.33 3iwk s GLU 393 CO 0.22 -0.56 0.71 0.28 -0.54 0.00 0.00 175.26 175.37 3iwk h VAL 394 N 5.14 1.14 -5.59 3.70 2.07 -1.93 -3.48 116.25 117.30 3iwk h VAL 394 Ca -0.33 -2.49 -0.40 0.00 0.82 0.00 0.00 66.70 64.29 3iwk h VAL 394 Cb 1.15 2.87 0.12 0.00 -1.52 0.00 0.00 31.29 33.92 3iwk h VAL 394 CO 0.91 0.76 -0.67 0.33 0.02 0.00 0.00 177.57 178.92 3iwk n PHE 395 N -3.86 -2.72 -4.14 1.57 7.35 -1.26 -4.66 117.46 109.73 3iwk n PHE 395 Ca -0.22 0.92 -0.13 0.00 -0.76 0.00 0.00 57.45 57.27 3iwk n PHE 395 Cb 0.95 -4.94 -0.07 0.00 0.35 0.00 0.00 39.48 35.77 3iwk n PHE 395 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 3iwk s GLY 396 N -3.20 1.41 -1.26 7.13 0.00 -1.18 -4.46 107.32 105.76 3iwk s GLY 396 Ca 0.54 -1.54 -0.17 0.00 0.00 0.00 0.00 44.72 43.54 3iwk s GLY 396 CO 0.66 -1.15 2.04 -1.55 0.00 0.00 0.00 173.10 173.10 3iwk n PRO 397 N -0.43 2.54 -3.73 2.90 -0.04 -1.16 -4.56 135.00 130.52 3iwk n PRO 397 Ca 0.02 -2.58 -0.27 0.00 -0.04 0.00 0.00 63.50 60.64 3iwk n PRO 397 Cb 0.63 -3.29 -0.17 0.00 -0.04 0.00 0.00 33.50 30.63 3iwk n PRO 397 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3iwk s VAL 398 N 4.46 0.43 -0.20 0.52 1.01 -1.26 -0.23 120.40 125.13 3iwk s VAL 398 Ca 0.52 -0.39 -0.07 0.00 0.00 0.00 0.00 61.98 62.05 3iwk s VAL 398 Cb 0.11 -0.89 -0.03 0.00 0.00 0.00 0.00 36.38 35.56 3iwk s VAL 398 CO 0.01 -0.13 0.05 -0.22 0.00 0.00 0.00 175.10 174.81 3iwk s LEU 399 N 1.91 3.60 -0.10 3.92 2.96 0.71 -4.84 118.68 126.84 3iwk s LEU 399 Ca 0.00 -0.05 -0.06 0.00 -0.22 0.00 0.00 54.13 53.81 3iwk s LEU 399 Cb -0.16 -1.92 -0.04 0.00 0.50 0.00 0.00 46.19 44.57 3iwk s LEU 399 CO -0.08 0.10 0.13 0.00 -1.32 0.00 0.00 176.35 175.19 3iwk s ALA 400 N 0.78 3.84 -0.13 5.97 0.00 -0.05 -0.52 121.76 131.65 3iwk s ALA 400 Ca 0.03 -0.68 -0.00 0.00 0.00 0.00 0.00 51.96 51.31 3iwk s ALA 400 Cb -0.14 -1.91 0.03 0.00 0.00 0.00 0.00 23.12 21.10 3iwk s ALA 400 CO 0.02 0.64 -0.09 0.08 0.00 0.00 0.00 175.76 176.41 3iwk s VAL 401 N -1.06 1.17 0.33 0.00 1.01 -0.82 0.50 120.40 121.52 3iwk s VAL 401 Ca 0.17 -0.44 0.09 0.00 0.00 0.00 0.00 61.98 61.79 3iwk s VAL 401 Cb -0.12 -1.20 -0.05 0.00 0.00 0.00 0.00 36.38 35.02 3iwk s VAL 401 CO 0.06 0.33 0.06 -0.54 0.00 0.00 0.00 175.10 175.02 3iwk s LYS 402 N 1.64 2.23 0.14 2.72 -0.14 -0.15 -4.01 119.74 122.17 3iwk s LYS 402 Ca 0.04 -1.62 0.10 0.00 -1.36 0.00 0.00 55.97 53.12 3iwk s LYS 402 Cb -0.13 -2.06 -0.04 0.00 -1.68 0.00 0.00 37.83 33.92 3iwk s LYS 402 CO -0.09 0.15 -0.19 -0.08 -0.76 0.00 0.00 175.35 174.39 3iwk s THR 403 N -2.45 2.72 0.11 2.17 -1.32 -1.26 -2.34 115.64 113.26 3iwk s THR 403 Ca 0.36 -1.65 -0.02 0.00 -1.21 0.00 0.00 61.69 59.16 3iwk s THR 403 Cb -0.02 -2.27 -0.03 0.00 -1.51 0.00 0.00 72.50 68.67 3iwk s THR 403 CO 0.21 0.03 0.06 0.72 -2.21 0.00 0.00 174.62 173.43 3iwk s PHE 404 N -1.30 0.67 -0.01 9.09 -0.12 0.16 -4.89 117.98 121.58 3iwk s PHE 404 Ca 0.19 -1.10 -0.00 0.00 -0.05 0.00 0.00 56.93 55.96 3iwk s PHE 404 Cb -0.10 -0.39 -0.01 0.00 -0.63 0.00 0.00 43.02 41.90 3iwk s PHE 404 CO 0.10 -0.50 -0.01 -1.13 -0.05 0.00 0.00 175.22 173.63 3iwk n SER 405 N -0.04 1.40 -4.86 1.98 3.41 -1.26 -0.27 113.62 113.97 3iwk n SER 405 Ca -0.09 0.01 -0.22 0.00 -0.26 0.00 0.00 58.87 58.31 3iwk n SER 405 Cb 0.63 -0.03 -0.04 0.00 -0.26 0.00 0.00 64.21 64.51 3iwk n SER 405 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3iwk s THR 406 N -2.02 4.61 0.18 6.66 -4.23 -1.26 -4.93 115.64 114.65 3iwk s THR 406 Ca -0.01 -1.29 -0.12 0.00 -1.18 0.00 0.00 61.69 59.09 3iwk s THR 406 Cb 0.01 -3.51 0.08 0.00 1.34 0.00 0.00 72.50 70.41 3iwk s THR 406 CO 0.02 -0.34 1.74 -0.08 -0.54 0.00 0.00 174.62 175.42 3iwk h GLU 407 N 1.39 0.90 -0.84 3.99 4.81 -1.99 -0.87 114.58 121.97 3iwk h GLU 407 Ca -0.49 -0.16 0.01 0.00 -0.13 0.00 0.00 59.36 58.59 3iwk h GLU 407 Cb 1.24 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 30.43 3iwk h GLU 407 CO 0.61 0.76 0.56 0.93 -0.73 0.00 0.00 179.01 181.14 3iwk h GLU 408 N 0.84 1.11 -0.37 1.92 3.07 -2.00 -1.36 114.58 117.80 3iwk h GLU 408 Ca 0.20 -0.07 -0.09 0.00 -0.50 0.00 0.00 59.36 58.91 3iwk h GLU 408 Cb 0.19 -0.25 -0.02 0.00 -0.84 0.00 0.00 28.75 27.83 3iwk h GLU 408 CO -0.02 0.74 -0.14 1.49 -1.40 0.00 0.00 179.01 179.68 3iwk h GLU 409 N 1.15 0.66 -0.08 2.33 4.81 -1.88 -2.73 114.58 118.84 3iwk h GLU 409 Ca 0.31 -0.22 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 3iwk h GLU 409 Cb -0.13 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.19 3iwk h GLU 409 CO -0.07 0.77 -0.00 0.00 -0.73 0.00 0.00 179.01 178.98 3iwk h ALA 410 N 1.25 0.10 -0.23 2.92 0.00 -0.13 -2.67 119.26 120.50 3iwk h ALA 410 Ca 0.10 -0.18 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 3iwk h ALA 410 Cb 0.58 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3iwk h ALA 410 CO 0.04 -0.21 -0.44 -0.84 0.00 0.00 0.00 179.25 177.80 3iwk h ILE 411 N -0.16 1.30 -0.66 0.00 -2.65 -1.33 -1.61 117.51 112.41 3iwk h ILE 411 Ca 0.02 -1.63 -0.06 0.00 1.03 0.00 0.00 64.86 64.22 3iwk h ILE 411 Cb 0.36 1.60 -0.03 0.00 -2.05 0.00 0.00 36.82 36.71 3iwk h ILE 411 CO 0.00 0.51 0.17 0.78 0.03 0.00 0.00 178.15 179.65 3iwk h ASN 412 N 0.47 0.96 -0.39 2.16 2.35 -1.54 0.75 115.58 120.35 3iwk h ASN 412 Ca 0.03 -0.19 -0.14 0.00 -0.55 0.00 0.00 56.30 55.45 3iwk h ASN 412 Cb 0.96 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 39.07 3iwk h ASN 412 CO 0.09 0.92 -0.31 -0.07 -1.65 0.00 0.00 177.43 176.41 3iwk h LEU 413 N 0.98 0.94 -0.87 1.61 3.38 -1.36 -2.26 115.31 117.73 3iwk h LEU 413 Ca 0.21 -0.44 -0.05 0.00 0.09 0.00 0.00 57.88 57.68 3iwk h LEU 413 Cb 0.33 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 3iwk h LEU 413 CO -0.00 1.19 0.22 0.00 0.09 0.00 0.00 178.44 179.93 3iwk h ALA 414 N 0.78 1.09 -0.10 1.53 0.00 -1.01 -2.59 119.26 118.96 3iwk h ALA 414 Ca 0.07 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3iwk h ALA 414 Cb 0.89 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3iwk h ALA 414 CO 0.08 0.62 0.00 0.09 0.00 0.00 0.00 179.25 180.04 3iwk n ASN 415 N -4.26 1.26 -3.89 0.00 3.02 0.23 -4.64 115.26 106.98 3iwk n ASN 415 Ca 0.06 -1.57 -0.42 0.00 -0.03 0.00 0.00 54.58 52.61 3iwk n ASN 415 Cb 0.22 -0.06 0.00 0.00 -0.61 0.00 0.00 39.78 39.33 3iwk n ASN 415 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3iwk n ASP 416 N 0.03 4.34 -3.55 6.41 2.03 -0.85 -4.81 116.55 120.14 3iwk n ASP 416 Ca 0.17 -2.92 -0.11 0.00 0.52 0.00 0.00 54.79 52.45 3iwk n ASP 416 Cb 0.28 -1.62 -0.05 0.00 -0.72 0.00 0.00 41.12 39.01 3iwk n ASP 416 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 3iwk s THR 417 N 2.57 0.00 -0.79 5.18 -1.32 -1.26 -4.97 115.64 115.04 3iwk s THR 417 Ca 0.46 0.00 0.26 0.00 -1.21 0.00 0.00 61.69 61.20 3iwk s THR 417 Cb 0.11 -1.00 0.17 0.00 -1.51 0.00 0.00 72.50 70.27 3iwk s THR 417 CO -0.04 0.00 1.62 0.00 -2.21 0.00 0.00 174.62 173.98 3iwk n HIS 418 N 0.56 0.50 -2.12 9.09 1.44 -1.26 -4.89 115.22 118.54 3iwk n HIS 418 Ca -0.11 0.15 -0.27 0.00 -2.01 0.00 0.00 57.72 55.47 3iwk n HIS 418 Cb 0.59 -0.67 0.18 0.00 0.12 0.00 0.00 29.99 30.20 3iwk n HIS 418 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 3iwk n TYR 419 N -1.96 -3.68 0.00 -1.40 4.02 -1.26 -1.59 117.16 111.29 3iwk n TYR 419 Ca 0.05 -1.34 0.00 0.00 -0.01 0.00 0.00 57.90 56.60 3iwk n TYR 419 Cb 0.40 -0.93 0.00 0.00 -0.02 0.00 0.00 39.34 38.79 3iwk n TYR 419 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3iwk n GLY 420 N -3.33 -0.77 0.00 2.72 0.00 -1.25 -4.68 105.19 97.89 3iwk n GLY 420 Ca 0.16 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.55 3iwk n GLY 420 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3iwk n LEU 421 N 0.00 0.41 -4.93 0.99 7.94 -1.26 -0.95 117.00 119.21 3iwk n LEU 421 Ca 0.00 0.08 -0.25 0.00 -1.11 0.00 0.00 56.01 54.73 3iwk n LEU 421 Cb 0.00 -0.27 0.01 0.00 0.53 0.00 0.00 43.42 43.69 3iwk n LEU 421 CO 0.00 -0.27 0.10 -0.83 -1.11 0.00 0.00 177.39 175.28 3iwk s GLY 422 N -1.91 2.26 -0.28 -3.96 0.00 -1.26 -1.02 107.32 101.15 3iwk s GLY 422 Ca 0.00 -1.42 -0.30 0.00 0.00 0.00 0.00 44.72 43.00 3iwk s GLY 422 CO 0.00 -1.89 1.34 -1.35 0.00 0.00 0.00 173.10 171.19 3iwk s SER 423 N -4.35 -0.06 -0.06 1.64 1.04 -0.98 -4.24 113.70 106.70 3iwk s SER 423 Ca 0.39 0.05 -0.02 0.00 0.48 0.00 0.00 55.95 56.85 3iwk s SER 423 Cb -0.03 0.05 0.04 0.00 0.10 0.00 0.00 66.02 66.18 3iwk s SER 423 CO 0.24 -0.06 0.13 0.00 0.98 0.00 0.00 173.24 174.54 3iwk s ALA 424 N -1.15 -0.20 -0.15 5.32 0.00 -0.50 -0.12 121.76 124.96 3iwk s ALA 424 Ca 0.09 0.61 -0.06 0.00 0.00 0.00 0.00 51.96 52.60 3iwk s ALA 424 Cb -0.01 -0.47 -0.04 0.00 0.00 0.00 0.00 23.12 22.60 3iwk s ALA 424 CO -0.07 -0.20 0.04 0.08 0.00 0.00 0.00 175.76 175.61 3iwk s VAL 425 N 1.31 4.63 -0.26 0.00 1.01 0.54 -0.22 120.40 127.40 3iwk s VAL 425 Ca -0.08 -0.10 0.02 0.00 0.00 0.00 0.00 61.98 61.83 3iwk s VAL 425 Cb -0.12 -3.04 0.06 0.00 0.00 0.00 0.00 36.38 33.29 3iwk s VAL 425 CO -0.05 0.51 -0.07 -0.04 0.00 0.00 0.00 175.10 175.45 3iwk s MET 426 N -0.06 1.96 -0.16 2.72 -1.94 0.35 0.41 119.30 122.58 3iwk s MET 426 Ca 0.06 -1.30 -0.30 0.00 -1.71 0.00 0.00 55.69 52.44 3iwk s MET 426 Cb -0.12 -2.82 0.12 0.00 2.01 0.00 0.00 34.83 34.02 3iwk s MET 426 CO 0.01 -0.62 0.96 -1.54 -0.01 0.00 0.00 175.02 173.82 3iwk s SER 427 N 1.17 -0.42 0.49 3.03 1.04 -1.26 -1.28 113.70 116.48 3iwk s SER 427 Ca -0.06 0.50 0.29 0.00 0.48 0.00 0.00 55.95 57.15 3iwk s SER 427 Cb -0.20 0.40 0.97 0.00 0.10 0.00 0.00 66.02 67.29 3iwk s SER 427 CO -0.06 -0.36 1.84 0.78 0.98 0.00 0.00 173.24 176.42 3iwk h ASN 428 N 2.80 0.00 -2.25 7.02 4.21 -1.00 -3.41 115.58 122.93 3iwk h ASN 428 Ca -0.20 0.00 -0.53 0.00 1.21 0.00 0.00 56.30 56.77 3iwk h ASN 428 Cb 1.16 0.00 -0.07 0.00 -1.12 0.00 0.00 38.32 38.29 3iwk h ASN 428 CO 0.30 0.06 1.11 -0.62 -1.29 0.00 0.00 177.43 176.99 3iwk s ASP 429 N -5.94 6.04 0.49 5.81 -1.08 -1.26 -4.87 116.67 115.85 3iwk s ASP 429 Ca 0.03 -0.38 0.28 0.00 -0.52 0.00 0.00 52.55 51.96 3iwk s ASP 429 Cb 0.08 -2.56 1.12 0.00 -1.46 0.00 0.00 42.92 40.11 3iwk s ASP 429 CO 0.60 -1.91 1.90 -0.07 0.52 0.00 0.00 175.17 176.21 3iwk h LEU 430 N 13.52 0.00 -0.83 -1.34 3.38 -2.00 -1.80 115.31 126.24 3iwk h LEU 430 Ca -0.26 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.60 3iwk h LEU 430 Cb 1.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 3iwk h LEU 430 CO 1.28 0.14 -0.33 -0.08 0.09 0.00 0.00 178.44 179.54 3iwk h GLU 431 N 0.00 0.49 -0.03 1.13 4.81 -1.97 -2.12 114.58 116.89 3iwk h GLU 431 Ca -0.00 -0.21 -0.05 0.00 -0.13 0.00 0.00 59.36 58.97 3iwk h GLU 431 Cb 0.63 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.00 3iwk h GLU 431 CO 0.02 0.76 -0.16 -0.09 -0.73 0.00 0.00 179.01 178.80 3iwk h ARG 432 N 0.42 0.16 -0.81 1.92 2.43 -1.77 -2.53 114.38 114.21 3iwk h ARG 432 Ca 0.05 -0.14 0.15 0.00 -0.81 0.00 0.00 59.98 59.23 3iwk h ARG 432 Cb 0.77 0.03 -0.09 0.00 -0.42 0.00 0.00 29.97 30.26 3iwk h ARG 432 CO 0.06 0.80 0.38 0.00 -1.51 0.00 0.00 179.97 179.70 3iwk h GLU 434 N 0.54 0.81 -0.69 0.00 4.81 -1.40 -0.11 114.58 118.55 3iwk h GLU 434 Ca 0.44 -0.23 0.04 0.00 -0.13 0.00 0.00 59.36 59.48 3iwk h GLU 434 Cb 0.65 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 29.89 3iwk h GLU 434 CO -0.38 0.83 0.41 0.00 -0.73 0.00 0.00 179.01 179.14 3iwk h ARG 435 N 0.68 0.77 -0.37 1.92 3.08 -0.87 -2.60 114.38 116.99 3iwk h ARG 435 Ca 0.14 -0.05 -0.16 0.00 0.07 0.00 0.00 59.98 59.98 3iwk h ARG 435 Cb 0.42 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 3iwk h ARG 435 CO 0.01 0.51 -0.41 -0.07 -1.07 0.00 0.00 179.97 178.94 3iwk h LEU 436 N 0.79 0.98 -2.58 3.04 4.07 -0.85 -2.76 115.31 117.99 3iwk h LEU 436 Ca 0.29 -0.46 -0.00 0.00 0.08 0.00 0.00 57.88 57.79 3iwk h LEU 436 Cb 0.09 -0.28 -0.00 0.00 1.08 0.00 0.00 40.66 41.55 3iwk h LEU 436 CO -0.14 1.26 -0.01 0.77 -1.08 0.00 0.00 178.44 179.24 3iwk h SER 437 N 0.74 0.00 0.70 -0.43 4.64 -0.82 0.17 113.55 118.54 3iwk h SER 437 Ca 0.05 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.11 3iwk h SER 437 Cb 1.00 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.06 3iwk h SER 437 CO 0.10 0.01 -1.35 0.11 -0.87 0.00 0.00 176.83 174.82 3iwk h LYS 438 N 0.00 0.07 0.00 4.77 1.57 -1.29 -3.37 116.57 118.32 3iwk h LYS 438 Ca -0.00 -0.12 -0.20 0.00 -1.87 0.00 0.00 60.65 58.46 3iwk h LYS 438 Cb 0.03 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 3iwk h LYS 438 CO 0.00 0.88 -1.23 0.00 -0.57 0.00 0.00 179.45 178.54 3iwk h ALA 439 N 0.86 0.62 -2.28 3.86 0.00 -0.96 -3.46 119.26 117.91 3iwk h ALA 439 Ca -0.15 -0.95 -0.55 0.00 0.00 0.00 0.00 54.91 53.25 3iwk h ALA 439 Cb 1.91 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.86 3iwk h ALA 439 CO 0.12 1.12 1.03 -0.51 0.00 0.00 0.00 179.25 181.01 3iwk s LEU 440 N -6.20 4.31 -1.05 0.00 1.43 0.47 -4.95 118.68 112.68 3iwk s LEU 440 Ca -0.01 2.18 -0.20 0.00 -1.03 0.00 0.00 54.13 55.07 3iwk s LEU 440 Cb 0.09 -3.54 0.09 0.00 0.03 0.00 0.00 46.19 42.86 3iwk s LEU 440 CO 0.80 -0.88 1.39 -1.10 0.23 0.00 0.00 176.35 176.80 3iwk s GLN 441 N 3.64 3.71 0.18 1.70 -0.21 -1.26 -4.92 119.66 122.50 3iwk s GLN 441 Ca 0.70 -1.63 -0.16 0.00 0.02 0.00 0.00 55.36 54.29 3iwk s GLN 441 Cb -0.32 -5.21 0.02 0.00 1.00 0.00 0.00 33.01 28.50 3iwk s GLN 441 CO 0.28 -2.03 0.48 0.00 -2.12 0.00 0.00 175.29 171.90 3iwk s ALA 442 N 3.74 -0.80 0.00 6.09 0.00 -1.26 -4.55 121.76 124.98 3iwk s ALA 442 Ca 0.43 -0.30 0.08 0.00 0.00 0.00 0.00 51.96 52.17 3iwk s ALA 442 Cb -0.01 0.84 -0.23 0.00 0.00 0.00 0.00 23.12 23.71 3iwk s ALA 442 CO -0.06 -0.77 0.85 0.78 0.00 0.00 0.00 175.76 176.56 3iwk h GLY 443 N 2.26 0.05 -5.37 0.00 0.00 -0.98 -3.45 103.07 95.58 3iwk h GLY 443 Ca -0.30 -0.14 -0.67 0.00 0.00 0.00 0.00 47.33 46.23 3iwk h GLY 443 CO 0.40 0.12 -0.79 -0.42 0.00 0.00 0.00 176.54 175.85 3iwk s ILE 444 N -2.63 2.87 -0.15 2.60 -1.09 -0.19 -4.79 121.20 117.82 3iwk s ILE 444 Ca -0.05 -0.75 0.02 0.00 -2.23 0.00 0.00 60.65 57.65 3iwk s ILE 444 Cb 0.08 -2.17 0.01 0.00 -1.58 0.00 0.00 42.46 38.81 3iwk s ILE 444 CO 0.82 0.55 -0.20 -0.69 -1.23 0.00 0.00 174.94 174.19 3iwk s VAL 445 N 0.05 1.99 -0.11 2.92 1.01 -1.26 -2.32 120.40 122.69 3iwk s VAL 445 Ca -0.06 -0.92 -0.09 0.00 0.00 0.00 0.00 61.98 60.91 3iwk s VAL 445 Cb -0.15 -1.78 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 3iwk s VAL 445 CO 0.05 0.53 0.19 0.26 0.00 0.00 0.00 175.10 176.13 3iwk s TRP 446 N 1.04 3.59 -0.21 5.22 0.51 0.83 -5.00 118.94 124.92 3iwk s TRP 446 Ca -0.02 0.59 -0.01 0.00 -2.12 0.00 0.00 56.10 54.54 3iwk s TRP 446 Cb -0.14 -2.05 0.02 0.00 -0.81 0.00 0.00 33.47 30.48 3iwk s TRP 446 CO -0.06 0.64 -0.12 0.42 -0.51 0.00 0.00 176.95 177.32 3iwk s ILE 447 N -0.80 2.63 -1.72 2.03 1.01 -1.26 -0.34 121.20 122.75 3iwk s ILE 447 Ca 0.16 -0.86 0.00 0.00 0.00 0.00 0.00 60.65 59.94 3iwk s ILE 447 Cb -0.13 -2.21 0.00 0.00 0.01 0.00 0.00 42.46 40.13 3iwk s ILE 447 CO 0.05 0.40 0.00 0.59 0.00 0.00 0.00 174.94 175.98 3iwk n ASN 448 N 4.67 -5.09 -2.96 3.58 3.02 0.17 -4.95 115.26 113.69 3iwk n ASN 448 Ca -0.19 0.27 -0.10 0.00 -0.03 0.00 0.00 54.58 54.53 3iwk n ASN 448 Cb 0.49 -4.14 0.01 0.00 -0.61 0.00 0.00 39.78 35.53 3iwk n ASN 448 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3iwk s ALA 450 N -2.40 -1.01 0.00 0.00 0.00 -1.26 -4.69 121.76 112.40 3iwk s ALA 450 Ca 0.18 1.39 0.00 0.00 0.00 0.00 0.00 51.96 53.53 3iwk s ALA 450 Cb -0.04 -0.84 0.00 0.00 0.00 0.00 0.00 23.12 22.24 3iwk s ALA 450 CO 0.13 -0.24 0.00 1.04 0.00 0.00 0.00 175.76 176.69 3iwk n GLN 451 N 3.86 0.00 -2.72 0.00 1.13 -1.26 -4.56 117.38 113.83 3iwk n GLN 451 Ca -0.21 0.00 -0.41 0.00 -1.94 0.00 0.00 57.00 54.44 3iwk n GLN 451 Cb 0.56 -1.04 -0.05 0.00 0.11 0.00 0.00 30.24 29.82 3iwk n GLN 451 CO 0.00 0.00 0.00 -2.14 -1.44 0.00 0.00 177.06 173.48 3iwk s PRO 452 N -0.59 4.71 -0.35 -1.09 0.02 -1.26 -5.01 135.00 131.42 3iwk s PRO 452 Ca 0.00 1.47 0.02 0.00 0.02 0.00 0.00 61.00 62.51 3iwk s PRO 452 Cb 0.00 -3.36 0.11 0.00 0.02 0.00 0.00 34.50 31.26 3iwk s PRO 452 CO 0.00 0.23 0.10 -1.54 -0.33 0.00 0.00 177.00 175.46 3iwk s SER 453 N -0.10 4.42 0.21 2.53 1.04 -1.26 -5.11 113.70 115.43 3iwk s SER 453 Ca 0.47 -2.11 -0.26 0.00 0.48 0.00 0.00 55.95 54.52 3iwk s SER 453 Cb -0.24 -1.35 -0.09 0.00 0.10 0.00 0.00 66.02 64.45 3iwk s SER 453 CO 0.30 -0.37 0.84 -0.36 0.98 0.00 0.00 173.24 174.64 3iwk s PHE 454 N 0.97 3.89 -0.51 5.02 0.40 -1.26 -4.96 117.98 121.54 3iwk s PHE 454 Ca 0.12 1.73 0.23 0.00 -0.60 0.00 0.00 56.93 58.40 3iwk s PHE 454 Cb -0.20 -2.84 0.96 0.00 0.51 0.00 0.00 43.02 41.45 3iwk s PHE 454 CO -0.12 0.45 1.69 0.44 0.70 0.00 0.00 175.22 178.38 3iwk n ILE 455 N 1.37 0.85 0.23 0.64 -0.00 -1.26 -2.05 119.36 119.15 3iwk n ILE 455 Ca -0.03 0.25 0.12 0.00 -0.00 0.00 0.00 62.75 63.09 3iwk n ILE 455 Cb 0.48 -1.17 0.16 0.00 -0.00 0.00 0.00 39.64 39.11 3iwk n ILE 455 CO 0.00 0.00 0.00 1.56 -0.00 0.00 0.00 176.55 178.11 3iwk h GLN 456 N 0.00 0.00 -6.03 6.28 7.50 -1.93 0.68 115.11 121.61 3iwk h GLN 456 Ca 0.00 0.00 -0.68 0.00 0.50 0.00 0.00 58.65 58.47 3iwk h GLN 456 Cb 0.34 0.00 -0.23 0.00 0.05 0.00 0.00 27.48 27.64 3iwk h GLN 456 CO 0.00 0.00 -0.74 0.00 -1.50 0.00 0.00 178.83 176.59 3iwk s ALA 457 N -3.23 2.76 0.21 3.87 0.00 -0.87 -4.13 121.76 120.36 3iwk s ALA 457 Ca 0.06 -0.93 -0.31 0.00 0.00 0.00 0.00 51.96 50.78 3iwk s ALA 457 Cb 0.06 -1.11 -0.10 0.00 0.00 0.00 0.00 23.12 21.97 3iwk s ALA 457 CO 0.68 0.48 1.52 -1.25 0.00 0.00 0.00 175.76 177.19 3iwk s PRO 458 N -0.49 4.23 -0.09 0.00 0.04 -1.26 -4.23 135.00 133.20 3iwk s PRO 458 Ca 0.07 2.35 0.04 0.00 0.04 0.00 0.00 61.00 63.50 3iwk s PRO 458 Cb -0.12 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.29 3iwk s PRO 458 CO 0.02 -0.53 -0.22 -0.46 0.04 0.00 0.00 177.00 175.84 3iwk s TRP 459 N 0.60 2.36 0.00 0.56 -0.11 0.52 -4.92 118.94 117.95 3iwk s TRP 459 Ca 0.65 -0.92 0.00 0.00 1.22 0.00 0.00 56.10 57.05 3iwk s TRP 459 Cb -0.43 -1.59 0.00 0.00 -1.50 0.00 0.00 33.47 29.95 3iwk s TRP 459 CO 0.37 -0.37 0.00 0.41 -4.62 0.00 0.00 176.95 172.75 3iwk n GLY 460 N 3.48 -0.35 3.69 5.86 0.00 -1.26 -0.51 105.19 116.10 3iwk n GLY 460 Ca -0.19 -1.10 -0.29 0.00 0.00 0.00 0.00 46.02 44.44 3iwk n GLY 460 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3iwk s GLY 461 N 0.00 2.61 0.44 -0.02 0.00 -1.26 -3.99 107.32 105.10 3iwk s GLY 461 Ca 0.00 -1.71 0.01 0.00 0.00 0.00 0.00 44.72 43.02 3iwk s GLY 461 CO 0.00 -2.08 0.03 0.29 0.00 0.00 0.00 173.10 171.34 3iwk n ILE 462 N -1.14 0.00 -2.22 0.90 -5.35 -0.12 -3.97 119.36 107.46 3iwk n ILE 462 Ca -0.08 -2.18 0.00 0.00 -0.27 0.00 0.00 62.75 60.23 3iwk n ILE 462 Cb 0.66 0.52 0.00 0.00 -1.74 0.00 0.00 39.64 39.09 3iwk n ILE 462 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3iwk n LYS 463 N -1.07 0.00 -0.05 6.28 5.02 -1.26 -2.13 118.16 124.95 3iwk n LYS 463 Ca -0.16 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.21 3iwk n LYS 463 Cb 0.58 0.00 0.35 0.00 -0.02 0.00 0.00 35.03 35.94 3iwk n LYS 463 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3iwk n ARG 464 N 14.00 1.33 0.02 1.97 1.74 -0.62 -2.44 116.66 132.67 3iwk n ARG 464 Ca 0.00 -0.50 0.13 0.00 -0.77 0.00 0.00 57.85 56.71 3iwk n ARG 464 Cb 0.00 -1.27 0.50 0.00 -1.02 0.00 0.00 32.46 30.67 3iwk n ARG 464 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3iwk n SER 465 N -0.23 0.27 0.00 0.55 7.64 -0.91 -4.71 113.62 116.24 3iwk n SER 465 Ca 0.12 0.39 0.00 0.00 1.01 0.00 0.00 58.87 60.39 3iwk n SER 465 Cb 0.17 -0.42 0.00 0.00 -1.01 0.00 0.00 64.21 62.95 3iwk n SER 465 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3iwk n GLY 466 N 1.45 0.25 3.70 0.23 0.00 -1.02 -0.20 105.19 109.60 3iwk n GLY 466 Ca 0.06 -2.15 -0.09 0.00 0.00 0.00 0.00 46.02 43.84 3iwk n GLY 466 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3iwk s PHE 467 N 0.00 -0.26 0.00 1.61 -0.71 -0.57 -3.61 117.98 114.44 3iwk s PHE 467 Ca 0.00 -0.12 0.00 0.00 -1.04 0.00 0.00 56.93 55.77 3iwk s PHE 467 Cb 0.00 0.62 0.00 0.00 -1.21 0.00 0.00 43.02 42.43 3iwk s PHE 467 CO 0.00 -1.10 0.00 0.41 -1.34 0.00 0.00 175.22 173.19 3iwk n GLY 468 N -0.42 -0.64 3.06 1.99 0.00 -1.26 -1.81 105.19 106.10 3iwk n GLY 468 Ca -0.08 -1.59 -0.22 0.00 0.00 0.00 0.00 46.02 44.13 3iwk n GLY 468 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3iwk s ARG 469 N -3.30 1.20 0.45 1.61 1.81 -1.26 -4.32 118.95 115.13 3iwk s ARG 469 Ca 0.00 -0.43 0.07 0.00 -1.72 0.00 0.00 55.73 53.64 3iwk s ARG 469 Cb 0.00 -1.10 -0.02 0.00 -0.45 0.00 0.00 34.95 33.37 3iwk s ARG 469 CO 0.00 0.20 0.27 -1.21 -0.68 0.00 0.00 175.30 173.88 3iwk s GLU 470 N -0.01 2.30 0.39 3.54 2.02 0.33 -3.81 118.70 123.46 3iwk s GLU 470 Ca -0.01 -1.84 0.00 0.00 0.02 0.00 0.00 54.97 53.15 3iwk s GLU 470 Cb -0.08 -2.08 0.00 0.00 0.10 0.00 0.00 34.13 32.07 3iwk s GLU 470 CO 0.01 -0.26 0.00 1.28 0.02 0.00 0.00 175.26 176.31 3iwk n LEU 471 N -1.43 -0.68 0.00 1.80 4.77 -1.26 -0.36 117.00 119.85 3iwk n LEU 471 Ca -0.01 1.56 0.00 0.00 -0.03 0.00 0.00 56.01 57.53 3iwk n LEU 471 Cb 0.64 -2.97 0.00 0.00 -2.33 0.00 0.00 43.42 38.76 3iwk n LEU 471 CO 0.43 -1.96 0.00 0.61 -1.33 0.00 0.00 177.39 175.15 3iwk n GLY 472 N -3.77 0.95 0.24 -0.72 0.00 0.24 -0.49 105.19 101.64 3iwk n GLY 472 Ca -0.04 -0.77 0.12 0.00 0.00 0.00 0.00 46.02 45.33 3iwk n GLY 472 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3iwk h GLU 473 N 0.00 0.00 -0.97 1.61 5.08 -1.87 -3.06 114.58 115.37 3iwk h GLU 473 Ca 0.00 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 3iwk h GLU 473 Cb 0.00 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 3iwk h GLU 473 CO 0.00 0.14 0.64 -1.49 -1.00 0.00 0.00 179.01 177.30 3iwk h TRP 474 N 0.00 1.21 -0.54 4.33 6.55 -1.86 -1.22 115.95 124.42 3iwk h TRP 474 Ca -0.00 0.03 0.04 0.00 0.95 0.00 0.00 58.89 59.91 3iwk h TRP 474 Cb 0.73 -0.41 -0.04 0.00 -0.86 0.00 0.00 29.16 28.57 3iwk h TRP 474 CO 0.00 0.75 0.29 0.78 -1.05 0.00 0.00 178.44 179.21 3iwk h GLY 475 N 1.29 0.76 0.91 1.49 0.00 -0.67 -1.62 103.07 105.23 3iwk h GLY 475 Ca 0.36 -0.20 -0.00 0.00 0.00 0.00 0.00 47.33 47.49 3iwk h GLY 475 CO -0.09 0.14 0.02 -2.00 0.00 0.00 0.00 176.54 174.61 3iwk h LEU 476 N 0.56 0.05 -2.01 3.11 6.46 -1.57 -3.01 115.31 118.89 3iwk h LEU 476 Ca 0.23 -0.09 0.06 0.00 -0.12 0.00 0.00 57.88 57.96 3iwk h LEU 476 Cb 0.11 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.02 3iwk h LEU 476 CO -0.15 0.13 0.14 -0.33 -0.62 0.00 0.00 178.44 177.61 3iwk h GLU 477 N -0.04 0.00 -0.12 1.25 4.39 -0.95 -0.89 114.58 118.22 3iwk h GLU 477 Ca 0.01 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.75 3iwk h GLU 477 Cb 0.09 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.73 3iwk h GLU 477 CO -0.00 0.00 0.15 -0.97 -1.16 0.00 0.00 179.01 177.02 3iwk h ASN 478 N 0.00 0.00 -0.11 1.42 -1.24 -1.16 -2.56 115.58 111.94 3iwk h ASN 478 Ca 0.09 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.10 3iwk h ASN 478 Cb 0.37 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.42 3iwk h ASN 478 CO -0.00 0.00 0.00 -1.22 -1.29 0.00 0.00 177.43 174.92 3iwk n TYR 479 N -3.72 0.36 -4.38 0.67 4.02 -0.35 -4.98 117.16 108.79 3iwk n TYR 479 Ca -0.00 -0.88 -0.27 0.00 -0.01 0.00 0.00 57.90 56.75 3iwk n TYR 479 Cb 0.25 -0.19 -0.13 0.00 -0.02 0.00 0.00 39.34 39.25 3iwk n TYR 479 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3iwk s LEU 480 N -2.56 2.30 -0.02 7.72 1.43 -0.96 -2.11 118.68 124.47 3iwk s LEU 480 Ca 0.32 -0.70 0.08 0.00 -1.03 0.00 0.00 54.13 52.79 3iwk s LEU 480 Cb 0.26 -1.06 -0.02 0.00 0.03 0.00 0.00 46.19 45.41 3iwk s LEU 480 CO 0.06 0.13 -0.25 -0.94 0.23 0.00 0.00 176.35 175.57 3iwk s SER 481 N -1.91 2.95 -0.17 2.29 1.04 -0.01 -4.74 113.70 113.15 3iwk s SER 481 Ca 0.10 -0.46 -0.24 0.00 0.48 0.00 0.00 55.95 55.83 3iwk s SER 481 Cb -0.10 -0.36 -0.02 0.00 0.10 0.00 0.00 66.02 65.64 3iwk s SER 481 CO 0.05 0.30 0.78 -0.69 0.98 0.00 0.00 173.24 174.67 3iwk s VAL 482 N -0.56 4.92 -0.16 5.02 1.01 -1.26 -1.95 120.40 127.41 3iwk s VAL 482 Ca 0.09 1.53 -0.03 0.00 0.00 0.00 0.00 61.98 63.57 3iwk s VAL 482 Cb -0.10 -4.09 -0.02 0.00 0.00 0.00 0.00 36.38 32.17 3iwk s VAL 482 CO -0.01 0.05 -0.06 -0.75 0.00 0.00 0.00 175.10 174.34 3iwk s LYS 483 N 2.05 3.55 -0.22 2.72 2.20 -0.35 -5.00 119.74 124.69 3iwk s LYS 483 Ca 0.36 -0.58 -0.16 0.00 -0.36 0.00 0.00 55.97 55.23 3iwk s LYS 483 Cb -0.16 -2.87 -0.04 0.00 -1.51 0.00 0.00 37.83 33.25 3iwk s LYS 483 CO 0.12 0.15 0.42 -1.14 -0.36 0.00 0.00 175.35 174.55 3iwk s GLN 484 N 0.57 4.14 -0.29 4.03 0.74 -1.26 -0.70 119.66 126.89 3iwk s GLN 484 Ca -0.04 0.21 -0.02 0.00 0.05 0.00 0.00 55.36 55.56 3iwk s GLN 484 Cb -0.15 -3.57 0.04 0.00 1.10 0.00 0.00 33.01 30.44 3iwk s GLN 484 CO 0.03 -0.12 -0.01 0.08 -0.55 0.00 0.00 175.29 174.72 3iwk s VAL 485 N 1.57 3.00 -0.15 1.34 1.01 0.20 -4.99 120.40 122.38 3iwk s VAL 485 Ca 0.19 -1.31 0.01 0.00 0.00 0.00 0.00 61.98 60.88 3iwk s VAL 485 Cb -0.15 -2.69 0.00 0.00 0.00 0.00 0.00 36.38 33.54 3iwk s VAL 485 CO 0.09 -0.06 -0.19 -0.89 0.00 0.00 0.00 175.10 174.05 3iwk s THR 486 N 1.27 2.37 -0.03 3.92 2.01 -1.26 -1.29 115.64 122.63 3iwk s THR 486 Ca -0.04 -0.88 0.07 0.00 0.31 0.00 0.00 61.69 61.16 3iwk s THR 486 Cb -0.19 -1.97 -0.02 0.00 0.01 0.00 0.00 72.50 70.33 3iwk s THR 486 CO -0.01 0.53 -0.25 0.00 -0.69 0.00 0.00 174.62 174.20 3iwk s ARG 487 N 0.80 2.13 -0.55 4.92 1.70 0.95 -4.98 118.95 123.92 3iwk s ARG 487 Ca -0.07 -0.89 -0.25 0.00 -0.47 0.00 0.00 55.73 54.06 3iwk s ARG 487 Cb -0.15 -2.00 0.04 0.00 -0.57 0.00 0.00 34.95 32.27 3iwk s ARG 487 CO -0.01 0.50 0.97 -0.47 -1.08 0.00 0.00 175.30 175.21 3iwk s TYR 488 N -0.49 2.78 -0.55 5.89 5.04 -1.26 -1.01 117.35 127.75 3iwk s TYR 488 Ca 0.07 0.04 0.24 0.00 -2.44 0.00 0.00 57.07 54.97 3iwk s TYR 488 Cb -0.11 -4.11 0.21 0.00 0.35 0.00 0.00 41.96 38.30 3iwk s TYR 488 CO 0.00 -1.37 1.20 1.15 -1.34 0.00 0.00 175.55 175.20 3iwk h THR 489 N 6.04 0.00 -4.33 4.34 2.02 -0.99 -3.48 112.91 116.52 3iwk h THR 489 Ca -0.26 -0.59 -0.51 0.00 0.77 0.00 0.00 66.41 65.82 3iwk h THR 489 Cb 1.07 1.09 0.09 0.00 -1.74 0.00 0.00 68.15 68.66 3iwk h THR 489 CO 1.10 0.00 0.37 -0.55 0.37 0.00 0.00 175.52 176.81 3iwk s SER 490 N -4.39 5.45 0.04 4.18 0.15 -1.17 -4.98 113.70 112.97 3iwk s SER 490 Ca 0.04 1.63 0.22 0.00 0.70 0.00 0.00 55.95 58.54 3iwk s SER 490 Cb 0.13 -2.50 -0.19 0.00 -1.71 0.00 0.00 66.02 61.75 3iwk s SER 490 CO 0.75 -1.39 0.74 -0.67 1.20 0.00 0.00 173.24 173.86 3iwk n ASP 491 N -3.01 0.38 -4.77 5.45 4.64 -1.26 -4.97 116.55 113.01 3iwk n ASP 491 Ca 0.08 -0.07 -0.41 0.00 -1.38 0.00 0.00 54.79 53.01 3iwk n ASP 491 Cb 0.53 1.36 -0.01 0.00 -1.04 0.00 0.00 41.12 41.97 3iwk n ASP 491 CO 0.00 0.00 0.00 -1.61 -0.82 0.00 0.00 177.20 174.77 3iwk s GLU 492 N -3.38 4.14 0.68 -0.67 0.41 -1.26 -4.99 118.70 113.63 3iwk s GLU 492 Ca -0.03 2.39 -0.17 0.00 -0.41 0.00 0.00 54.97 56.75 3iwk s GLU 492 Cb 0.13 -2.95 0.01 0.00 -1.78 0.00 0.00 34.13 29.54 3iwk s GLU 492 CO 0.86 -0.43 1.23 -2.14 -0.49 0.00 0.00 175.26 174.29 3iwk s PRO 493 N -2.04 2.42 0.18 0.39 0.02 -1.26 -4.94 135.00 129.77 3iwk s PRO 493 Ca 0.53 1.86 -0.13 0.00 0.02 0.00 0.00 61.00 63.27 3iwk s PRO 493 Cb -0.43 -1.86 0.15 0.00 0.02 0.00 0.00 34.50 32.38 3iwk s PRO 493 CO 0.57 -1.64 1.77 2.35 -0.33 0.00 0.00 177.00 179.72 3iwk h TRP 494 N 0.18 0.38 0.00 6.54 -0.00 -1.98 -3.46 115.95 117.60 3iwk h TRP 494 Ca -0.49 0.02 0.00 0.00 -0.00 0.00 0.00 58.89 58.42 3iwk h TRP 494 Cb 1.31 -0.10 0.00 0.00 -0.00 0.00 0.00 29.16 30.37 3iwk h TRP 494 CO 0.45 0.16 0.00 0.41 -0.00 0.00 0.00 178.44 179.46 3iwk n GLY 495 N -1.25 0.50 0.08 2.65 0.00 -1.26 -4.94 105.19 100.97 3iwk n GLY 495 Ca 0.04 -0.40 -0.15 0.00 0.00 0.00 0.00 46.02 45.52 3iwk n GLY 495 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 3iwk h TRP 496 N 0.00 0.12 -3.01 1.61 2.91 -2.04 -3.47 115.95 112.07 3iwk h TRP 496 Ca 0.00 -0.08 -0.47 0.00 1.13 0.00 0.00 58.89 59.47 3iwk h TRP 496 Cb 0.00 -0.01 0.03 0.00 -0.51 0.00 0.00 29.16 28.67 3iwk h TRP 496 CO 0.00 0.97 -0.06 0.71 -1.03 0.00 0.00 178.44 179.04 3iwk s TYR 497 N -2.65 3.38 -0.31 2.65 2.02 -1.26 -5.06 117.35 116.11 3iwk s TYR 497 Ca -0.17 0.42 -0.21 0.00 -0.37 0.00 0.00 57.07 56.73 3iwk s TYR 497 Cb -0.01 -2.23 -0.00 0.00 -0.40 0.00 0.00 41.96 39.32 3iwk s TYR 497 CO 0.72 -0.24 0.68 -0.65 -1.57 0.00 0.00 175.55 174.49 3iwk s GLN 498 N -4.56 3.90 0.52 -0.62 -1.52 -1.26 -5.05 119.66 111.07 3iwk s GLN 498 Ca 0.46 0.37 -0.22 0.00 -1.95 0.00 0.00 55.36 54.02 3iwk s GLN 498 Cb -0.10 -3.74 -0.07 0.00 -0.22 0.00 0.00 33.01 28.89 3iwk s GLN 498 CO 0.39 -0.63 1.17 -2.30 -0.25 0.00 0.00 175.29 173.68 3iwk n PRO 499 N 6.01 1.44 -0.03 2.91 -0.02 -1.26 -4.93 135.00 139.11 3iwk n PRO 499 Ca 0.01 0.53 0.11 0.00 -2.02 0.00 0.00 63.50 62.13 3iwk n PRO 499 Cb 0.49 -2.34 0.52 0.00 -0.02 0.00 0.00 33.50 32.15 3iwk n PRO 499 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3iwk n PRO 500 N -0.66 1.42 -0.47 0.52 -0.04 -1.26 -5.05 135.00 129.46 3iwk n PRO 500 Ca 0.11 -0.62 0.01 0.00 -0.04 0.00 0.00 63.50 62.96 3iwk n PRO 500 Cb 0.44 -1.39 -0.01 0.00 -0.04 0.00 0.00 33.50 32.50 3iwk n PRO 500 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 3iwk n SER 501 N -0.19 -2.54 0.00 3.54 7.64 -1.26 -5.38 113.62 115.44 3iwk n SER 501 Ca 0.17 0.55 0.00 0.00 1.01 0.00 0.00 58.87 60.60 3iwk n SER 501 Cb 0.23 -0.98 0.00 0.00 -1.01 0.00 0.00 64.21 62.45 3iwk n SER 501 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20