#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 4.27 0.00 4.33 1.81 -1.26 -5.08 118.95 123.02 3iwk s ARG 8 Ca 0.00 1.14 0.00 0.00 -1.72 0.00 0.00 55.73 55.15 3iwk s ARG 8 Cb 0.00 -2.25 0.00 0.00 -0.45 0.00 0.00 34.95 32.25 3iwk s ARG 8 CO 0.00 0.00 0.00 1.04 -0.68 0.00 0.00 175.30 175.66 3iwk n GLN 9 N -0.51 3.93 -3.29 3.54 1.13 -1.26 -4.48 117.38 116.44 3iwk n GLN 9 Ca 0.06 0.00 -0.38 0.00 -1.94 0.00 0.00 57.00 54.74 3iwk n GLN 9 Cb 0.54 0.00 -0.06 0.00 0.11 0.00 0.00 30.24 30.83 3iwk n GLN 9 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3iwk s LEU 10 N 0.00 4.42 -0.59 1.08 1.43 -0.48 -4.82 118.68 119.71 3iwk s LEU 10 Ca 0.00 1.07 -0.21 0.00 -1.03 0.00 0.00 54.13 53.96 3iwk s LEU 10 Cb 0.00 -2.81 0.07 0.00 0.03 0.00 0.00 46.19 43.48 3iwk s LEU 10 CO 0.00 0.15 0.83 0.12 0.23 0.00 0.00 176.35 177.68 3iwk s PHE 11 N -0.32 2.84 -0.09 0.29 5.36 -0.80 -0.49 117.98 124.77 3iwk s PHE 11 Ca 0.28 -0.54 0.01 0.00 -0.96 0.00 0.00 56.93 55.72 3iwk s PHE 11 Cb -0.17 -4.04 0.02 0.00 -0.34 0.00 0.00 43.02 38.48 3iwk s PHE 11 CO 0.15 -1.39 -0.10 0.42 -1.46 0.00 0.00 175.22 172.84 3iwk s ILE 12 N 3.45 1.10 -1.44 3.12 1.01 -0.42 -0.40 121.20 127.62 3iwk s ILE 12 Ca 0.20 -0.40 -0.11 0.00 0.00 0.00 0.00 60.65 60.34 3iwk s ILE 12 Cb -0.18 -1.06 0.05 0.00 0.01 0.00 0.00 42.46 41.28 3iwk s ILE 12 CO 0.11 0.36 1.07 -0.67 0.00 0.00 0.00 174.94 175.82 3iwk n ASP 13 N 4.36 -5.41 0.00 3.58 2.03 -1.26 -2.35 116.55 117.50 3iwk n ASP 13 Ca -0.18 -0.67 0.00 0.00 0.52 0.00 0.00 54.79 54.46 3iwk n ASP 13 Cb 0.51 -4.44 0.00 0.00 -0.72 0.00 0.00 41.12 36.47 3iwk n ASP 13 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3iwk n GLY 14 N -1.83 1.13 3.35 0.27 0.00 -1.26 -4.42 105.19 102.43 3iwk n GLY 14 Ca 0.01 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.85 3iwk n GLY 14 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3iwk s GLU 15 N -0.15 1.56 -0.09 1.61 4.04 -0.99 -4.88 118.70 119.80 3iwk s GLU 15 Ca 0.00 -1.88 -0.20 0.00 0.04 0.00 0.00 54.97 52.93 3iwk s GLU 15 Cb 0.00 -0.24 -0.04 0.00 0.02 0.00 0.00 34.13 33.86 3iwk s GLU 15 CO 0.00 -0.38 0.54 -1.58 -1.84 0.00 0.00 175.26 172.00 3iwk s TRP 16 N -3.61 3.56 -0.07 4.83 0.52 -1.26 -1.31 118.94 121.60 3iwk s TRP 16 Ca 0.35 1.01 0.00 0.00 0.02 0.00 0.00 56.10 57.49 3iwk s TRP 16 Cb 0.06 -2.61 0.02 0.00 -1.15 0.00 0.00 33.47 29.80 3iwk s TRP 16 CO 0.16 0.19 -0.06 1.03 0.02 0.00 0.00 176.95 178.29 3iwk s ARG 17 N 0.50 1.14 0.27 4.98 0.52 0.36 -4.93 118.95 121.78 3iwk s ARG 17 Ca 0.29 -0.15 -0.30 0.00 -0.52 0.00 0.00 55.73 55.05 3iwk s ARG 17 Cb -0.16 -1.19 -0.10 0.00 0.52 0.00 0.00 34.95 34.02 3iwk s ARG 17 CO 0.13 -0.17 1.40 0.08 0.02 0.00 0.00 175.30 176.76 3iwk s VAL 18 N 1.35 2.70 0.35 3.52 1.01 -1.26 -1.38 120.40 126.69 3iwk s VAL 18 Ca -0.03 0.62 -0.26 0.00 0.00 0.00 0.00 61.98 62.30 3iwk s VAL 18 Cb -0.14 -3.39 -0.13 0.00 0.00 0.00 0.00 36.38 32.72 3iwk s VAL 18 CO -0.03 0.11 1.01 -2.65 0.00 0.00 0.00 175.10 173.55 3iwk n PRO 19 N 1.90 1.39 -0.28 2.72 -0.02 -1.26 -4.90 135.00 134.55 3iwk n PRO 19 Ca 0.05 0.49 -0.01 0.00 -2.02 0.00 0.00 63.50 62.01 3iwk n PRO 19 Cb 0.41 -1.95 0.18 0.00 -0.02 0.00 0.00 33.50 32.13 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 1.82 1.22 0.00 4.25 2.04 -1.93 -1.21 117.51 123.71 3iwk h ILE 20 Ca -0.42 -0.44 0.00 0.00 1.00 0.00 0.00 64.86 65.00 3iwk h ILE 20 Cb 1.34 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.42 3iwk h ILE 20 CO 0.59 0.22 -0.35 -0.07 0.00 0.00 0.00 178.15 178.54 3iwk h LEU 21 N 1.15 0.00 0.10 1.44 4.07 -1.92 -3.48 115.31 116.67 3iwk h LEU 21 Ca 0.31 -0.12 -0.36 0.00 0.08 0.00 0.00 57.88 57.79 3iwk h LEU 21 Cb -0.10 0.00 0.09 0.00 1.08 0.00 0.00 40.66 41.73 3iwk h LEU 21 CO -0.06 0.06 -0.58 -3.20 -1.08 0.00 0.00 178.44 173.58 3iwk n ASN 22 N -2.21 -5.81 -4.90 -0.43 5.15 -0.46 -5.01 115.26 101.60 3iwk n ASN 22 Ca 0.04 -0.36 -0.28 0.00 -0.60 0.00 0.00 54.58 53.38 3iwk n ASN 22 Cb 0.44 -4.55 -0.01 0.00 -0.53 0.00 0.00 39.78 35.13 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 -5.85 3.61 0.02 1.20 3.01 -1.26 -5.00 119.74 115.48 3iwk s LYS 23 Ca 0.39 0.29 0.01 0.00 -1.01 0.00 0.00 55.97 55.64 3iwk s LYS 23 Cb -0.17 -2.38 -0.02 0.00 -1.01 0.00 0.00 37.83 34.25 3iwk s LYS 23 CO 0.48 -0.15 -0.04 1.03 0.51 0.00 0.00 175.35 177.17 3iwk s ARG 24 N -4.46 0.31 -0.17 1.68 1.81 -1.26 -1.42 118.95 115.44 3iwk s ARG 24 Ca 0.49 -0.48 0.00 0.00 -1.72 0.00 0.00 55.73 54.02 3iwk s ARG 24 Cb -0.10 -0.06 0.01 0.00 -0.45 0.00 0.00 34.95 34.34 3iwk s ARG 24 CO 0.41 0.00 -0.16 0.42 -0.68 0.00 0.00 175.30 175.29 3iwk s ILE 25 N -1.01 2.51 0.55 1.52 1.01 -0.36 -4.85 121.20 120.58 3iwk s ILE 25 Ca -0.09 -0.81 -0.21 0.00 0.00 0.00 0.00 60.65 59.54 3iwk s ILE 25 Cb -0.07 -2.07 -0.04 0.00 0.01 0.00 0.00 42.46 40.28 3iwk s ILE 25 CO -0.00 0.51 1.35 -2.84 0.00 0.00 0.00 174.94 173.95 3iwk s PRO 26 N 1.07 3.09 -0.14 2.79 0.02 -1.26 -1.79 135.00 138.79 3iwk s PRO 26 Ca -0.01 2.20 0.02 0.00 0.02 0.00 0.00 61.00 63.24 3iwk s PRO 26 Cb -0.14 -2.22 0.01 0.00 0.02 0.00 0.00 34.50 32.17 3iwk s PRO 26 CO -0.05 -1.22 -0.21 1.21 -0.33 0.00 0.00 177.00 176.41 3iwk s ASN 27 N -1.01 3.01 -0.13 2.53 2.47 0.11 -4.87 114.94 117.05 3iwk s ASN 27 Ca 0.73 -0.58 -0.04 0.00 0.42 0.00 0.00 52.86 53.39 3iwk s ASN 27 Cb -0.40 -1.39 -0.03 0.00 -1.45 0.00 0.00 41.25 37.98 3iwk s ASN 27 CO 0.46 0.07 0.02 -0.63 -3.72 0.00 0.00 177.10 173.30 3iwk s ILE 28 N 0.84 4.43 -0.34 -5.21 1.01 -1.26 -0.90 121.20 119.77 3iwk s ILE 28 Ca -0.07 -0.19 -0.29 0.00 0.00 0.00 0.00 60.65 60.11 3iwk s ILE 28 Cb -0.15 -2.92 0.01 0.00 0.01 0.00 0.00 42.46 39.41 3iwk s ILE 28 CO -0.02 0.54 1.22 0.21 0.00 0.00 0.00 174.94 176.90 3iwk s ASN 29 N -0.30 6.72 0.61 3.58 3.04 -0.56 -4.93 114.94 123.10 3iwk s ASN 29 Ca 0.07 1.03 0.39 0.00 0.04 0.00 0.00 52.86 54.39 3iwk s ASN 29 Cb -0.12 -2.54 1.90 0.00 -1.54 0.00 0.00 41.25 38.95 3iwk s ASN 29 CO 0.02 -1.07 2.18 1.55 -3.04 0.00 0.00 177.10 176.74 3iwk h PRO 30 N 9.04 0.00 0.00 0.43 0.13 -1.82 0.38 132.00 140.16 3iwk h PRO 30 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 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 1.05 0.01 -0.65 -1.13 -0.23 0.00 0.00 178.00 177.04 3iwk n SER 31 N -3.12 0.68 -0.00 1.44 3.41 -1.26 -0.74 113.62 114.02 3iwk n SER 31 Ca -0.01 0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 3iwk n SER 31 Cb 0.19 0.22 -0.02 0.00 -0.26 0.00 0.00 64.21 64.34 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 -2.07 0.05 -1.02 6.66 -2.24 -0.83 -3.61 114.28 111.21 3iwk n THR 32 Ca 0.03 -0.06 -0.01 0.00 -2.27 0.00 0.00 64.05 61.74 3iwk n THR 32 Cb 0.43 -0.09 -0.00 0.00 -2.10 0.00 0.00 70.33 68.57 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 -1.76 -0.41 -4.09 -0.78 1.02 0.13 -4.52 120.64 110.22 3iwk n GLU 33 Ca -0.01 0.21 -0.32 0.00 -0.02 0.00 0.00 57.16 57.02 3iwk n GLU 33 Cb 0.25 -3.60 -0.07 0.00 -0.02 0.00 0.00 31.44 28.00 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 -2.18 5.59 0.19 1.62 0.01 -1.25 -4.87 114.94 114.06 3iwk s ASN 34 Ca 0.00 0.08 -0.32 0.00 -0.71 0.00 0.00 52.86 51.91 3iwk s ASN 34 Cb 0.00 -1.56 -0.11 0.00 0.41 0.00 0.00 41.25 39.99 3iwk s ASN 34 CO 0.00 0.23 1.68 -0.63 -1.51 0.00 0.00 177.10 176.87 3iwk s ILE 35 N -1.27 2.23 -0.01 0.60 1.01 -1.26 -1.49 121.20 121.01 3iwk s ILE 35 Ca 0.25 0.15 0.01 0.00 0.00 0.00 0.00 60.65 61.06 3iwk s ILE 35 Cb -0.12 -3.09 0.02 0.00 0.01 0.00 0.00 42.46 39.27 3iwk s ILE 35 CO 0.17 0.01 0.98 2.30 0.00 0.00 0.00 174.94 178.40 3iwk n ILE 36 N 4.02 0.98 -2.63 2.92 -5.35 -0.08 -4.91 119.36 114.31 3iwk n ILE 36 Ca 0.15 -1.00 0.00 0.00 -0.27 0.00 0.00 62.75 61.63 3iwk n ILE 36 Cb 0.36 0.49 0.00 0.00 -1.74 0.00 0.00 39.64 38.75 3iwk n ILE 36 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3iwk n GLY 37 N -0.52 -0.48 3.52 3.28 0.00 -1.24 -5.01 105.19 104.74 3iwk n GLY 37 Ca 0.01 -1.45 -0.09 0.00 0.00 0.00 0.00 46.02 44.49 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 -0.15 0.10 1.61 1.47 -1.26 -0.72 116.67 113.72 3iwk s ASP 38 Ca 0.00 -0.69 0.07 0.00 1.18 0.00 0.00 52.55 53.11 3iwk s ASP 38 Cb 0.00 0.56 -0.03 0.00 -0.34 0.00 0.00 42.92 43.11 3iwk s ASP 38 CO 0.00 -1.06 -0.17 0.27 0.68 0.00 0.00 175.17 174.88 3iwk s ILE 39 N -3.93 1.48 0.34 2.11 -0.00 -0.74 -4.80 121.20 115.67 3iwk s ILE 39 Ca 0.14 -1.55 -0.29 0.00 -0.00 0.00 0.00 60.65 58.96 3iwk s ILE 39 Cb -0.00 -1.45 -0.11 0.00 -0.00 0.00 0.00 42.46 40.90 3iwk s ILE 39 CO 0.02 -0.20 1.54 -0.81 -0.00 0.00 0.00 174.94 175.49 3iwk n PRO 40 N 0.95 2.71 -3.42 0.37 -0.04 -1.26 -1.22 135.00 133.10 3iwk n PRO 40 Ca -0.19 0.96 -0.44 0.00 -0.04 0.00 0.00 63.50 63.79 3iwk n PRO 40 Cb 0.55 -2.72 -0.05 0.00 -0.04 0.00 0.00 33.50 31.24 3iwk n PRO 40 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3iwk s ALA 41 N -0.63 3.74 0.34 0.55 0.00 -0.50 -3.82 121.76 121.44 3iwk s ALA 41 Ca 0.58 -2.90 -0.27 0.00 0.00 0.00 0.00 51.96 49.37 3iwk s ALA 41 Cb -0.48 -3.19 -0.09 0.00 0.00 0.00 0.00 23.12 19.36 3iwk s ALA 41 CO 0.57 -2.10 1.12 0.00 0.00 0.00 0.00 175.76 175.35 3iwk s ALA 42 N 0.84 3.28 0.30 0.00 0.00 0.79 -4.45 121.76 122.52 3iwk s ALA 42 Ca 0.10 0.90 0.01 0.00 0.00 0.00 0.00 51.96 52.98 3iwk s ALA 42 Cb -0.21 -3.34 0.01 0.00 0.00 0.00 0.00 23.12 19.59 3iwk s ALA 42 CO -0.03 -0.30 0.12 0.25 0.00 0.00 0.00 175.76 175.81 3iwk n THR 43 N 0.59 0.00 -0.26 0.00 -2.24 -1.26 -3.56 114.28 107.55 3iwk n THR 43 Ca 0.02 -1.29 0.02 0.00 -2.27 0.00 0.00 64.05 60.52 3iwk n THR 43 Cb 0.46 0.00 0.09 0.00 -2.10 0.00 0.00 70.33 68.78 3iwk n THR 43 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3iwk h LYS 44 N 0.00 0.00 -0.37 -0.78 1.63 -1.94 -1.60 116.57 113.51 3iwk h LYS 44 Ca -0.22 -0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 59.51 3iwk h LYS 44 Cb 0.72 -0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.33 3iwk h LYS 44 CO 0.35 0.00 -0.08 0.93 -3.45 0.00 0.00 179.45 177.20 3iwk h GLU 45 N 0.00 0.63 -0.40 1.90 5.08 -1.99 -0.18 114.58 119.62 3iwk h GLU 45 Ca 0.36 -0.18 -0.04 0.00 -1.00 0.00 0.00 59.36 58.50 3iwk h GLU 45 Cb 0.55 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.72 3iwk h GLU 45 CO -0.77 0.71 0.08 -0.44 -1.00 0.00 0.00 179.01 177.59 3iwk h ASP 46 N 0.58 0.63 -0.47 1.42 3.45 -1.75 -2.66 116.42 117.62 3iwk h ASP 46 Ca 0.11 -0.25 -0.01 0.00 0.43 0.00 0.00 57.03 57.30 3iwk h ASP 46 Cb 0.49 -0.17 -0.02 0.00 -0.56 0.00 0.00 39.33 39.07 3iwk h ASP 46 CO 0.03 0.72 0.24 0.58 -1.57 0.00 0.00 179.24 179.23 3iwk h VAL 47 N 0.52 1.18 -0.80 -1.35 2.07 -0.74 -1.02 116.25 116.10 3iwk h VAL 47 Ca 0.12 -0.49 0.16 0.00 0.82 0.00 0.00 66.70 67.32 3iwk h VAL 47 Cb 0.35 0.64 -0.10 0.00 -1.52 0.00 0.00 31.29 30.66 3iwk h VAL 47 CO 0.01 0.19 0.33 0.44 0.02 0.00 0.00 177.57 178.55 3iwk h ASP 48 N 0.61 0.29 -0.36 0.57 5.19 -1.02 0.60 116.42 122.30 3iwk h ASP 48 Ca 0.16 0.12 -0.08 0.00 -0.62 0.00 0.00 57.03 56.62 3iwk h ASP 48 Cb 0.09 0.10 -0.01 0.00 0.18 0.00 0.00 39.33 39.69 3iwk h ASP 48 CO -0.02 0.08 -0.08 -0.07 -3.12 0.00 0.00 179.24 176.02 3iwk h LEU 49 N 0.44 0.70 -0.27 1.55 3.38 -1.00 -1.31 115.31 118.79 3iwk h LEU 49 Ca 0.46 -0.36 0.02 0.00 0.09 0.00 0.00 57.88 58.09 3iwk h LEU 49 Cb 0.75 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 3iwk h LEU 49 CO -0.44 0.90 0.11 0.00 0.09 0.00 0.00 178.44 179.09 3iwk h ALA 50 N 0.82 0.31 -0.18 1.53 0.00 -0.46 -1.78 119.26 119.51 3iwk h ALA 50 Ca 0.09 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3iwk h ALA 50 Cb 0.59 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3iwk h ALA 50 CO 0.03 -0.29 -0.05 0.28 0.00 0.00 0.00 179.25 179.23 3iwk h VAL 51 N 0.24 1.29 -0.72 0.00 2.07 -0.85 -1.78 116.25 116.50 3iwk h VAL 51 Ca 0.12 -1.02 0.16 0.00 0.82 0.00 0.00 66.70 66.77 3iwk h VAL 51 Cb 0.07 1.61 -0.11 0.00 -1.52 0.00 0.00 31.29 31.33 3iwk h VAL 51 CO -0.10 0.30 0.15 0.44 0.02 0.00 0.00 177.57 178.38 3iwk h ASP 52 N 0.05 -0.03 -0.71 0.57 3.32 -1.24 0.59 116.42 118.98 3iwk h ASP 52 Ca 0.04 0.15 -0.04 0.00 0.02 0.00 0.00 57.03 57.20 3iwk h ASP 52 Cb 0.49 0.21 -0.03 0.00 0.22 0.00 0.00 39.33 40.21 3iwk h ASP 52 CO 0.02 -0.05 0.28 0.00 -1.72 0.00 0.00 179.24 177.77 3iwk h ALA 53 N 1.61 0.92 -0.41 3.45 0.00 -1.01 -0.96 119.26 122.85 3iwk h ALA 53 Ca 0.40 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 3iwk h ALA 53 Cb 0.69 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3iwk h ALA 53 CO -0.51 0.54 0.00 0.00 0.00 0.00 0.00 179.25 179.27 3iwk h ALA 54 N 1.13 0.55 -0.41 0.00 0.00 -0.64 -1.12 119.26 118.77 3iwk h ALA 54 Ca 0.24 -0.26 0.06 0.00 0.00 0.00 0.00 54.91 54.95 3iwk h ALA 54 Cb 0.21 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 3iwk h ALA 54 CO -0.02 0.33 0.10 0.87 0.00 0.00 0.00 179.25 180.53 3iwk h LYS 55 N 0.55 0.22 -0.76 0.00 1.79 -0.69 -2.41 116.57 115.27 3iwk h LYS 55 Ca 0.12 -0.01 -0.03 0.00 -2.18 0.00 0.00 60.65 58.54 3iwk h LYS 55 Cb 0.48 -0.05 -0.04 0.00 -1.58 0.00 0.00 32.23 31.04 3iwk h LYS 55 CO 0.02 0.15 0.36 0.00 -1.08 0.00 0.00 179.45 178.90 3iwk h ARG 56 N 0.23 1.09 0.00 3.15 3.08 -1.03 -2.96 114.38 117.93 3iwk h ARG 56 Ca 0.20 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 3iwk h ARG 56 Cb 0.23 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 30.08 3iwk h ARG 56 CO -0.25 0.84 -0.05 0.00 -1.07 0.00 0.00 179.97 179.43 3iwk h ALA 57 N 1.32 1.85 -0.25 0.04 0.00 -0.69 -2.47 119.26 119.06 3iwk h ALA 57 Ca 0.26 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3iwk h ALA 57 Cb 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3iwk h ALA 57 CO -0.03 0.07 0.00 0.44 0.00 0.00 0.00 179.25 179.72 3iwk n ILE 58 N -4.39 2.03 -2.60 0.00 -6.64 -1.15 -3.24 119.36 103.37 3iwk n ILE 58 Ca -0.03 -1.75 -0.41 0.00 -1.77 0.00 0.00 62.75 58.79 3iwk n ILE 58 Cb 0.14 -0.12 -0.04 0.00 -1.44 0.00 0.00 39.64 38.17 3iwk n ILE 58 CO 0.00 0.00 0.00 -0.55 -1.77 0.00 0.00 176.55 174.23 3iwk s SER 59 N -1.83 7.38 -0.22 7.28 0.15 -0.93 -4.77 113.70 120.75 3iwk s SER 59 Ca 0.38 2.01 -0.27 0.00 0.70 0.00 0.00 55.95 58.78 3iwk s SER 59 Cb 0.30 -2.60 -0.12 0.00 -1.71 0.00 0.00 66.02 61.89 3iwk s SER 59 CO 0.09 -0.12 0.87 -1.14 1.20 0.00 0.00 173.24 174.14 3iwk n ARG 60 N 2.23 0.00 0.00 5.44 0.63 -1.26 -1.28 116.66 122.42 3iwk n ARG 60 Ca 0.02 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.95 3iwk n ARG 60 Cb 0.47 -0.88 0.00 0.00 0.45 0.00 0.00 32.46 32.50 3iwk n ARG 60 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 3iwk n LYS 61 N 2.00 0.00 -1.33 -0.14 4.81 -1.26 -4.77 118.16 117.47 3iwk n LYS 61 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.61 3iwk n LYS 61 Cb -0.02 -0.30 0.00 0.00 0.02 0.00 0.00 35.03 34.74 3iwk n LYS 61 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 3iwk n ASN 62 N 0.15 0.00 0.00 3.14 5.15 -0.40 -4.12 115.26 119.18 3iwk n ASN 62 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 3iwk n ASN 62 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 3iwk n ASN 62 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3iwk n GLY 63 N -0.29 0.26 0.27 8.20 0.00 -1.26 -0.49 105.19 111.88 3iwk n GLY 63 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 0.00 -0.65 -3.25 1.61 3.08 -1.98 -3.50 114.38 109.69 3iwk h ARG 64 Ca 0.00 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.09 3iwk h ARG 64 Cb 0.00 0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.20 3iwk h ARG 64 CO 0.00 -0.43 -0.84 -3.47 -1.07 0.00 0.00 179.97 174.16 3iwk n ASP 65 N -4.24 -7.39 0.00 7.04 4.64 0.36 -4.84 116.55 112.13 3iwk n ASP 65 Ca -0.08 1.59 0.00 0.00 -1.38 0.00 0.00 54.79 54.92 3iwk n ASP 65 Cb 0.26 -4.28 0.00 0.00 -1.04 0.00 0.00 41.12 36.07 3iwk n ASP 65 CO 0.00 0.00 0.00 1.87 -0.82 0.00 0.00 177.20 178.25 3iwk n TRP 66 N -2.35 0.00 0.21 -0.67 -0.00 -1.20 -4.49 117.44 108.94 3iwk n TRP 66 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 57.50 57.58 3iwk n TRP 66 Cb 0.39 0.01 0.38 0.00 -0.00 0.00 0.00 31.31 32.09 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 0.00 -0.01 5.87 4.64 -1.82 -3.13 113.55 119.09 3iwk h SER 67 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3iwk h SER 67 Cb 0.93 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 3iwk h SER 67 CO 0.00 0.28 -0.62 0.00 -0.87 0.00 0.00 176.83 175.62 3iwk n ALA 68 N -2.23 3.88 -1.03 5.18 0.00 -1.26 -4.86 120.51 120.19 3iwk n ALA 68 Ca 0.00 -0.62 -0.29 0.00 0.00 0.00 0.00 53.44 52.54 3iwk n ALA 68 Cb 0.48 -0.76 0.18 0.00 0.00 0.00 0.00 19.45 19.35 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 -2.58 0.85 0.52 0.00 0.00 -1.19 -5.02 121.76 114.35 3iwk s ALA 69 Ca 0.15 -0.19 -0.19 0.00 0.00 0.00 0.00 51.96 51.73 3iwk s ALA 69 Cb 0.17 -3.18 -0.07 0.00 0.00 0.00 0.00 23.12 20.04 3iwk s ALA 69 CO 0.64 -2.91 1.06 -1.54 0.00 0.00 0.00 175.76 173.02 3iwk s SER 70 N -3.22 6.08 0.40 0.00 1.04 -1.26 -4.96 113.70 111.78 3iwk s SER 70 Ca 0.65 1.95 0.12 0.00 0.48 0.00 0.00 55.95 59.15 3iwk s SER 70 Cb -0.20 -2.56 0.84 0.00 0.10 0.00 0.00 66.02 64.20 3iwk s SER 70 CO 0.59 -0.96 1.91 1.23 0.98 0.00 0.00 173.24 176.99 3iwk h GLY 71 N 1.22 0.10 2.00 7.32 0.00 -1.92 -2.53 103.07 109.26 3iwk h GLY 71 Ca -0.49 -0.07 -0.11 0.00 0.00 0.00 0.00 47.33 46.67 3iwk h GLY 71 CO 0.58 0.06 -0.51 1.48 0.00 0.00 0.00 176.54 178.15 3iwk h SER 72 N 0.09 0.00 -0.35 0.19 4.64 -1.82 -1.28 113.55 115.02 3iwk h SER 72 Ca 0.02 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.28 3iwk h SER 72 Cb 0.44 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.52 3iwk h SER 72 CO 0.03 0.51 0.01 0.25 -0.87 0.00 0.00 176.83 176.76 3iwk h LEU 73 N 0.00 0.59 -1.12 5.97 5.85 -1.83 -2.54 115.31 122.22 3iwk h LEU 73 Ca -0.01 -0.30 -0.06 0.00 0.84 0.00 0.00 57.88 58.35 3iwk h LEU 73 Cb 0.92 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.77 3iwk h LEU 73 CO 0.07 0.74 -0.05 0.03 -0.34 0.00 0.00 178.44 178.89 3iwk h ARG 74 N 0.42 0.56 -0.71 1.25 3.08 -1.37 -2.86 114.38 114.75 3iwk h ARG 74 Ca 0.10 -0.14 0.03 0.00 0.07 0.00 0.00 59.98 60.04 3iwk h ARG 74 Cb 0.43 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.37 3iwk h ARG 74 CO 0.02 0.62 0.44 0.00 -1.07 0.00 0.00 179.97 179.98 3iwk h ALA 75 N 1.42 0.94 -0.85 0.04 0.00 -1.06 -1.86 119.26 117.89 3iwk h ALA 75 Ca 0.11 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 3iwk h ALA 75 Cb 0.41 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 3iwk h ALA 75 CO 0.02 0.21 0.43 0.00 0.00 0.00 0.00 179.25 179.91 3iwk h ARG 76 N 0.86 1.21 -0.46 0.00 3.08 -1.22 0.39 114.38 118.23 3iwk h ARG 76 Ca 0.29 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 60.16 3iwk h ARG 76 Cb 0.04 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 29.85 3iwk h ARG 76 CO -0.12 0.91 0.23 1.88 -1.07 0.00 0.00 179.97 181.80 3iwk h TYR 77 N 1.20 0.65 -0.74 3.04 0.05 -1.47 -0.53 116.97 119.18 3iwk h TYR 77 Ca 0.30 -0.03 -0.04 0.00 0.05 0.00 0.00 58.73 59.01 3iwk h TYR 77 Cb 0.08 -0.20 -0.03 0.00 1.01 0.00 0.00 36.73 37.58 3iwk h TYR 77 CO 0.01 0.51 0.30 -0.07 -1.05 0.00 0.00 178.16 177.86 3iwk h LEU 78 N 0.60 1.02 -0.75 3.88 3.38 -0.38 0.31 115.31 123.36 3iwk h LEU 78 Ca 0.16 -0.17 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 3iwk h LEU 78 Cb 0.09 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 3iwk h LEU 78 CO -0.02 0.91 -0.20 0.03 0.09 0.00 0.00 178.44 179.25 3iwk h ARG 79 N 1.06 0.74 -0.62 1.13 3.08 -0.20 -1.14 114.38 118.43 3iwk h ARG 79 Ca 0.25 -0.28 -0.06 0.00 0.07 0.00 0.00 59.98 59.95 3iwk h ARG 79 Cb 0.21 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 3iwk h ARG 79 CO -0.02 0.88 0.14 0.00 -1.07 0.00 0.00 179.97 179.90 3iwk h ALA 80 N 1.13 0.81 -0.37 0.04 0.00 -0.66 -0.17 119.26 120.04 3iwk h ALA 80 Ca 0.10 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3iwk h ALA 80 Cb 0.69 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3iwk h ALA 80 CO 0.05 0.54 0.20 0.82 0.00 0.00 0.00 179.25 180.86 3iwk h ILE 81 N 0.91 1.15 -0.44 0.00 2.04 -0.81 -2.44 117.51 117.92 3iwk h ILE 81 Ca 0.19 -0.40 -0.00 0.00 1.00 0.00 0.00 64.86 65.65 3iwk h ILE 81 Cb 0.37 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 3iwk h ILE 81 CO 0.00 0.16 0.27 0.00 0.00 0.00 0.00 178.15 178.59 3iwk h ALA 82 N 1.06 0.56 -0.78 1.87 0.00 -0.95 -2.00 119.26 119.02 3iwk h ALA 82 Ca 0.13 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.05 3iwk h ALA 82 Cb 0.07 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.62 3iwk h ALA 82 CO -0.02 0.04 0.47 0.00 0.00 0.00 0.00 179.25 179.73 3iwk h ALA 83 N 1.14 1.07 0.00 0.00 0.00 -0.94 -0.81 119.26 119.72 3iwk h ALA 83 Ca 0.16 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 3iwk h ALA 83 Cb -0.03 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3iwk h ALA 83 CO -0.03 0.18 -0.41 -0.22 0.00 0.00 0.00 179.25 178.77 3iwk h LYS 84 N 0.85 0.00 -0.02 0.00 1.63 -1.14 -1.93 116.57 115.97 3iwk h LYS 84 Ca 0.34 0.00 -0.16 0.00 -0.85 0.00 0.00 60.65 59.98 3iwk h LYS 84 Cb 0.18 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 31.82 3iwk h LYS 84 CO -0.18 0.41 -0.62 0.82 -3.45 0.00 0.00 179.45 176.43 3iwk h ILE 85 N 0.00 1.41 -0.74 2.00 2.04 -1.03 -2.93 117.51 118.25 3iwk h ILE 85 Ca -0.00 -2.05 0.01 0.00 1.00 0.00 0.00 64.86 63.81 3iwk h ILE 85 Cb 1.13 2.52 -0.04 0.00 -0.74 0.00 0.00 36.82 39.69 3iwk h ILE 85 CO 0.05 0.60 0.49 0.50 0.00 0.00 0.00 178.15 179.80 3iwk h LYS 86 N -0.03 0.97 -0.33 2.37 3.64 -1.04 -0.98 116.57 121.17 3iwk h LYS 86 Ca -0.07 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.20 3iwk h LYS 86 Cb 1.32 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.90 3iwk h LYS 86 CO 0.12 0.64 0.02 1.49 -2.27 0.00 0.00 179.45 179.46 3iwk h GLU 87 N 1.00 0.57 -0.60 1.90 4.81 -1.42 -3.08 114.58 117.77 3iwk h GLU 87 Ca 0.27 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 3iwk h GLU 87 Cb -0.11 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.22 3iwk h GLU 87 CO -0.06 0.68 0.00 1.63 -0.73 0.00 0.00 179.01 180.53 3iwk n LYS 88 N -4.56 2.36 -0.11 1.92 5.02 -0.86 -4.67 118.16 117.27 3iwk n LYS 88 Ca -0.02 -1.36 -0.14 0.00 -2.02 0.00 0.00 58.31 54.77 3iwk n LYS 88 Cb 0.25 -1.59 -0.10 0.00 -0.02 0.00 0.00 35.03 33.57 3iwk n LYS 88 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 3iwk h LYS 89 N 1.93 -0.42 -0.68 1.97 3.64 -1.11 -1.11 116.57 120.80 3iwk h LYS 89 Ca 0.00 0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.39 3iwk h LYS 89 Cb 0.86 0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.74 3iwk h LYS 89 CO 0.13 -0.28 0.34 -0.44 -2.27 0.00 0.00 179.45 176.93 3iwk h ASP 90 N -0.44 0.85 0.30 4.20 3.32 -1.87 0.11 116.42 122.90 3iwk h ASP 90 Ca 0.07 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 3iwk h ASP 90 Cb 0.61 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.95 3iwk h ASP 90 CO -0.56 0.70 -0.15 -0.33 -1.72 0.00 0.00 179.24 177.18 3iwk h GLU 91 N 0.95 -0.39 -0.58 3.56 3.07 -1.79 -3.03 114.58 116.37 3iwk h GLU 91 Ca 0.24 0.03 -0.04 0.00 -0.50 0.00 0.00 59.36 59.09 3iwk h GLU 91 Cb 0.06 0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 28.04 3iwk h GLU 91 CO -0.03 -0.13 0.21 -0.07 -1.40 0.00 0.00 179.01 177.59 3iwk h LEU 92 N -0.62 0.77 -0.25 1.33 3.38 -0.97 -2.95 115.31 115.99 3iwk h LEU 92 Ca -0.04 -0.11 0.06 0.00 0.09 0.00 0.00 57.88 57.88 3iwk h LEU 92 Cb 0.45 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 40.93 3iwk h LEU 92 CO 0.07 0.71 -0.22 1.23 0.09 0.00 0.00 178.44 180.31 3iwk h GLY 93 N 0.96 -0.12 1.66 0.83 0.00 -0.74 -0.18 103.07 105.48 3iwk h GLY 93 Ca 0.19 0.28 -0.14 0.00 0.00 0.00 0.00 47.33 47.66 3iwk h GLY 93 CO -0.02 -0.19 -0.54 0.07 0.00 0.00 0.00 176.54 175.86 3iwk h LYS 94 N -0.22 0.36 -0.66 4.80 2.10 -1.43 -1.56 116.57 119.95 3iwk h LYS 94 Ca 0.14 -0.22 -0.01 0.00 -2.00 0.00 0.00 60.65 58.56 3iwk h LYS 94 Cb 0.44 0.02 -0.03 0.00 -0.90 0.00 0.00 32.23 31.76 3iwk h LYS 94 CO -0.38 0.81 0.39 -0.07 -2.00 0.00 0.00 179.45 178.20 3iwk h LEU 95 N 0.28 0.81 -0.32 7.07 4.07 -1.32 0.91 115.31 126.81 3iwk h LEU 95 Ca 0.01 -0.07 0.01 0.00 0.08 0.00 0.00 57.88 57.90 3iwk h LEU 95 Cb 1.04 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 42.56 3iwk h LEU 95 CO 0.09 0.64 0.21 -0.08 -1.08 0.00 0.00 178.44 178.22 3iwk h GLU 96 N 0.90 0.41 -0.53 1.13 4.57 -0.81 -0.17 114.58 120.08 3iwk h GLU 96 Ca 0.24 -0.02 0.01 0.00 -1.18 0.00 0.00 59.36 58.40 3iwk h GLU 96 Cb -0.00 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.46 3iwk h GLU 96 CO -0.04 0.27 0.34 1.03 -1.18 0.00 0.00 179.01 179.43 3iwk h SER 97 N 0.42 0.57 -0.67 1.04 0.87 -0.85 -1.57 113.55 113.35 3iwk h SER 97 Ca 0.12 -0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.60 3iwk h SER 97 Cb -0.04 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 61.77 3iwk h SER 97 CO -0.04 0.41 0.15 0.40 -0.53 0.00 0.00 176.83 177.22 3iwk h ILE 98 N 0.68 1.26 -0.19 2.23 2.04 -0.72 -1.00 117.51 121.81 3iwk h ILE 98 Ca 0.20 -0.98 -0.20 0.00 1.00 0.00 0.00 64.86 64.88 3iwk h ILE 98 Cb -0.04 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 36.65 3iwk h ILE 98 CO -0.07 0.37 -0.68 -0.78 0.00 0.00 0.00 178.15 177.00 3iwk h ASP 99 N 1.02 0.88 -0.00 1.72 3.58 -0.51 -3.36 116.42 119.74 3iwk h ASP 99 Ca 0.21 -0.53 0.00 0.00 0.42 0.00 0.00 57.03 57.13 3iwk h ASP 99 Cb 0.39 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.19 3iwk h ASP 99 CO 0.01 1.32 -0.05 0.00 -2.88 0.00 0.00 179.24 177.63 3iwk n GLY 101 N 0.52 0.85 3.79 0.00 0.00 -0.38 -4.45 105.19 105.52 3iwk n GLY 101 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.23 4.14 0.43 1.61 -2.85 -1.24 -3.59 119.74 118.01 3iwk s LYS 102 Ca 0.00 1.43 -0.24 0.00 -1.00 0.00 0.00 55.97 56.16 3iwk s LYS 102 Cb 0.00 -2.45 -0.10 0.00 -2.06 0.00 0.00 37.83 33.22 3iwk s LYS 102 CO 0.00 -0.15 1.09 -2.30 0.10 0.00 0.00 175.35 174.09 3iwk n PRO 103 N -0.23 1.49 -0.29 1.78 -0.02 -1.26 -4.51 135.00 131.96 3iwk n PRO 103 Ca 0.06 0.54 0.03 0.00 -2.02 0.00 0.00 63.50 62.11 3iwk n PRO 103 Cb 0.51 -2.16 0.17 0.00 -0.02 0.00 0.00 33.50 32.00 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 1.62 0.62 -2.11 2.45 5.85 -1.45 -0.26 115.31 122.03 3iwk h LEU 104 Ca -0.46 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.30 3iwk h LEU 104 Cb 1.33 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 42.30 3iwk h LEU 104 CO 0.57 0.34 -0.08 -0.33 -0.34 0.00 0.00 178.44 178.61 3iwk h GLU 105 N 0.74 0.00 -0.01 1.25 5.08 -1.88 0.12 114.58 119.88 3iwk h GLU 105 Ca 0.40 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.69 3iwk h GLU 105 Cb 0.41 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.67 3iwk h GLU 105 CO -0.27 0.08 -0.27 0.93 -1.00 0.00 0.00 179.01 178.48 3iwk h GLU 106 N 0.00 0.19 -0.91 2.33 5.08 -1.41 -2.64 114.58 117.23 3iwk h GLU 106 Ca -0.00 -0.20 0.07 0.00 -1.00 0.00 0.00 59.36 58.23 3iwk h GLU 106 Cb 0.19 0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.43 3iwk h GLU 106 CO 0.01 0.92 0.57 0.00 -1.00 0.00 0.00 179.01 179.51 3iwk h ALA 107 N 0.28 1.27 -0.42 3.43 0.00 -0.83 0.84 119.26 123.83 3iwk h ALA 107 Ca -0.03 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 3iwk h ALA 107 Cb 1.01 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 3iwk h ALA 107 CO 0.05 0.31 -0.13 -0.07 0.00 0.00 0.00 179.25 179.41 3iwk h LEU 108 N 1.02 0.77 -0.72 0.00 3.38 -0.86 -1.80 115.31 117.10 3iwk h LEU 108 Ca 0.40 -0.24 -0.07 0.00 0.09 0.00 0.00 57.88 58.06 3iwk h LEU 108 Cb 0.21 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 3iwk h LEU 108 CO -0.19 0.91 0.16 0.00 0.09 0.00 0.00 178.44 179.42 3iwk h ALA 109 N 1.16 0.94 -0.77 1.53 0.00 -0.97 -2.65 119.26 118.50 3iwk h ALA 109 Ca 0.11 -0.25 0.06 0.00 0.00 0.00 0.00 54.91 54.83 3iwk h ALA 109 Cb 0.61 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 3iwk h ALA 109 CO 0.04 0.67 0.46 -0.44 0.00 0.00 0.00 179.25 179.98 3iwk h ASP 110 N 1.08 0.71 -0.18 0.00 3.45 -0.43 -2.48 116.42 118.57 3iwk h ASP 110 Ca 0.22 0.02 -0.11 0.00 0.43 0.00 0.00 57.03 57.60 3iwk h ASP 110 Cb 0.39 -0.12 -0.01 0.00 -0.56 0.00 0.00 39.33 39.02 3iwk h ASP 110 CO 0.00 0.46 -0.24 -0.07 -1.57 0.00 0.00 179.24 177.82 3iwk h LEU 111 N 0.84 0.65 -0.64 1.55 3.38 -1.10 0.11 115.31 120.10 3iwk h LEU 111 Ca 0.34 -0.23 0.03 0.00 0.09 0.00 0.00 57.88 58.10 3iwk h LEU 111 Cb 0.17 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 3iwk h LEU 111 CO -0.17 0.88 0.39 0.44 0.09 0.00 0.00 178.44 180.07 3iwk h ASP 112 N 0.56 0.65 -0.01 -0.43 3.32 -1.24 -1.80 116.42 117.47 3iwk h ASP 112 Ca 0.08 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.01 3iwk h ASP 112 Cb 0.72 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.12 3iwk h ASP 112 CO 0.06 0.45 -0.37 0.44 -1.72 0.00 0.00 179.24 178.09 3iwk h ASP 113 N 0.78 0.53 -0.22 6.45 3.45 -0.96 0.02 116.42 126.46 3iwk h ASP 113 Ca 0.26 -0.22 0.03 0.00 0.43 0.00 0.00 57.03 57.52 3iwk h ASP 113 Cb 0.02 -0.15 -0.03 0.00 -0.56 0.00 0.00 39.33 38.61 3iwk h ASP 113 CO -0.10 0.85 0.05 0.58 -1.57 0.00 0.00 179.24 179.05 3iwk h VAL 114 N 0.42 0.90 -0.25 -1.35 2.07 -0.57 0.12 116.25 117.59 3iwk h VAL 114 Ca 0.04 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 3iwk h VAL 114 Cb 0.84 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 3iwk h VAL 114 CO 0.07 0.02 0.13 0.58 0.02 0.00 0.00 177.57 178.39 3iwk h VAL 115 N 0.14 1.13 -0.03 2.57 2.07 -1.11 -2.44 116.25 118.59 3iwk h VAL 115 Ca 0.10 -0.37 -0.04 0.00 0.82 0.00 0.00 66.70 67.21 3iwk h VAL 115 Cb 0.09 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 3iwk h VAL 115 CO -0.13 0.13 -0.18 0.00 0.02 0.00 0.00 177.57 177.42 3iwk h ALA 116 N 1.00 1.66 -0.21 1.67 0.00 -0.80 -2.56 119.26 120.01 3iwk h ALA 116 Ca 0.09 -0.17 -0.17 0.00 0.00 0.00 0.00 54.91 54.65 3iwk h ALA 116 Cb 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3iwk h ALA 116 CO -0.01 0.25 -0.55 0.00 0.00 0.00 0.00 179.25 178.94 3iwk h PHE 118 N 0.47 0.87 -0.35 0.00 0.04 -1.22 -2.50 116.94 114.25 3iwk h PHE 118 Ca -0.01 -0.17 -0.14 0.00 2.80 0.00 0.00 57.97 60.45 3iwk h PHE 118 Cb 1.17 -0.22 -0.01 0.00 2.20 0.00 0.00 35.95 39.09 3iwk h PHE 118 CO 0.09 0.88 -0.34 0.93 -0.60 0.00 0.00 178.31 179.26 3iwk h GLU 119 N 0.70 0.78 -0.25 1.51 5.08 -1.49 -1.59 114.58 119.32 3iwk h GLU 119 Ca 0.11 -0.38 -0.02 0.00 -1.00 0.00 0.00 59.36 58.07 3iwk h GLU 119 Cb 0.64 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 3iwk h GLU 119 CO 0.04 1.01 0.08 -0.92 -1.00 0.00 0.00 179.01 178.22 3iwk h TYR 120 N 0.65 0.40 0.00 4.33 3.20 -1.23 -1.63 116.97 122.69 3iwk h TYR 120 Ca 0.07 -0.04 -0.08 0.00 3.14 0.00 0.00 58.73 61.82 3iwk h TYR 120 Cb 0.89 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 39.03 3iwk h TYR 120 CO 0.05 0.44 -0.37 1.88 -1.64 0.00 0.00 178.16 178.52 3iwk h TYR 121 N 0.24 0.00 -0.30 -3.82 -1.99 -1.46 -1.83 116.97 107.81 3iwk h TYR 121 Ca 0.08 0.00 0.01 0.00 2.00 0.00 0.00 58.73 60.82 3iwk h TYR 121 Cb 0.23 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.94 3iwk h TYR 121 CO 0.00 0.37 0.18 0.00 -0.00 0.00 0.00 178.16 178.71 3iwk h ALA 122 N 1.63 0.37 -0.46 3.88 0.00 -1.17 0.16 119.26 123.66 3iwk h ALA 122 Ca -0.00 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.97 3iwk h ALA 122 Cb 1.11 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.75 3iwk h ALA 122 CO 0.05 -0.19 0.13 0.78 0.00 0.00 0.00 179.25 180.02 3iwk h GLY 123 N 0.36 0.59 1.31 0.00 0.00 -0.85 -1.66 103.07 102.82 3iwk h GLY 123 Ca 0.11 -0.06 -0.10 0.00 0.00 0.00 0.00 47.33 47.28 3iwk h GLY 123 CO -0.05 -0.02 -0.11 1.41 0.00 0.00 0.00 176.54 177.77 3iwk h LEU 124 N 0.29 0.81 -1.46 3.11 4.07 -1.14 -2.78 115.31 118.21 3iwk h LEU 124 Ca 0.22 -0.25 0.01 0.00 0.08 0.00 0.00 57.88 57.94 3iwk h LEU 124 Cb 0.26 -0.22 -0.03 0.00 1.08 0.00 0.00 40.66 41.75 3iwk h LEU 124 CO -0.26 0.95 0.37 0.00 -1.08 0.00 0.00 178.44 178.42 3iwk h ALA 125 N 1.13 1.61 -0.52 1.53 0.00 -0.27 -1.74 119.26 121.00 3iwk h ALA 125 Ca 0.12 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 3iwk h ALA 125 Cb 0.61 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3iwk h ALA 125 CO 0.04 0.36 -0.12 0.93 0.00 0.00 0.00 179.25 180.45 3iwk h GLU 126 N 0.74 0.98 0.00 0.00 5.08 -1.04 -3.01 114.58 117.33 3iwk h GLU 126 Ca 0.21 -0.36 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 3iwk h GLU 126 Cb -0.07 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.12 3iwk h GLU 126 CO -0.05 1.03 -0.15 0.39 -1.00 0.00 0.00 179.01 179.24 3iwk n GLU 127 N -4.14 0.12 -0.01 2.33 1.02 -1.02 -3.97 120.64 114.97 3iwk n GLU 127 Ca 0.01 0.08 -0.03 0.00 -0.02 0.00 0.00 57.16 57.20 3iwk n GLU 127 Cb 0.40 -1.62 0.21 0.00 -0.02 0.00 0.00 31.44 30.41 3iwk n GLU 127 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3iwk h LEU 128 N 0.00 0.53 -1.02 -4.62 5.85 -1.18 -2.54 115.31 112.33 3iwk h LEU 128 Ca 0.00 -0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.52 3iwk h LEU 128 Cb 0.60 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 3iwk h LEU 128 CO 0.00 0.73 0.23 0.44 -0.34 0.00 0.00 178.44 179.50 3iwk h ASP 129 N 0.49 0.85 0.99 1.25 3.32 -1.71 -2.94 116.42 118.67 3iwk h ASP 129 Ca 0.08 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.00 3iwk h ASP 129 Cb 0.59 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.92 3iwk h ASP 129 CO 0.04 0.78 0.00 -1.54 -1.72 0.00 0.00 179.24 176.80 3iwk n SER 130 N -4.30 0.44 -0.99 6.45 3.41 -0.96 -2.90 113.62 114.77 3iwk n SER 130 Ca 0.05 0.57 0.08 0.00 -0.26 0.00 0.00 58.87 59.31 3iwk n SER 130 Cb 0.19 -0.67 0.24 0.00 -0.26 0.00 0.00 64.21 63.70 3iwk n SER 130 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 3iwk n LYS 131 N -1.94 3.10 -2.75 4.33 2.85 -1.11 -4.95 118.16 117.69 3iwk n LYS 131 Ca 0.05 -2.50 -0.35 0.00 -1.05 0.00 0.00 58.31 54.46 3iwk n LYS 131 Cb 0.31 -1.59 -0.06 0.00 -0.65 0.00 0.00 35.03 33.04 3iwk n LYS 131 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 3iwk s GLN 132 N -1.65 4.32 -1.49 -1.58 -1.52 -1.14 -3.81 119.66 112.78 3iwk s GLN 132 Ca 0.37 1.27 -0.01 0.00 -1.95 0.00 0.00 55.36 55.03 3iwk s GLN 132 Cb 0.24 -2.44 0.00 0.00 -0.22 0.00 0.00 33.01 30.58 3iwk s GLN 132 CO 0.18 0.04 0.12 1.63 -0.25 0.00 0.00 175.29 177.00 3iwk n LYS 133 N -0.16 -2.05 -1.89 2.91 5.02 -0.50 -4.96 118.16 116.53 3iwk n LYS 133 Ca 0.05 0.85 -0.42 0.00 -2.02 0.00 0.00 58.31 56.77 3iwk n LYS 133 Cb 0.52 -5.37 -0.03 0.00 -0.02 0.00 0.00 35.03 30.13 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 -2.94 3.70 0.45 7.82 0.00 -1.19 -4.69 121.76 124.91 3iwk s ALA 134 Ca 0.06 1.26 -0.23 0.00 0.00 0.00 0.00 51.96 53.05 3iwk s ALA 134 Cb -0.03 -3.70 -0.08 0.00 0.00 0.00 0.00 23.12 19.31 3iwk s ALA 134 CO 0.07 -1.11 1.09 -1.25 0.00 0.00 0.00 175.76 174.57 3iwk s PRO 135 N 2.58 3.90 -0.23 0.00 0.04 -1.26 -1.75 135.00 138.28 3iwk s PRO 135 Ca 0.75 1.59 0.01 0.00 0.04 0.00 0.00 61.00 63.38 3iwk s PRO 135 Cb -0.41 -2.38 0.03 0.00 0.04 0.00 0.00 34.50 31.78 3iwk s PRO 135 CO 0.33 -0.39 -0.13 0.42 0.04 0.00 0.00 177.00 177.28 3iwk s ILE 136 N -1.68 2.36 0.25 0.56 -1.09 0.36 -4.92 121.20 117.04 3iwk s ILE 136 Ca 0.62 -1.17 -0.30 0.00 -2.23 0.00 0.00 60.65 57.58 3iwk s ILE 136 Cb -0.24 -2.18 -0.09 0.00 -1.58 0.00 0.00 42.46 38.37 3iwk s ILE 136 CO 0.29 0.26 1.25 -0.44 -1.23 0.00 0.00 174.94 175.06 3iwk s SER 137 N 1.25 6.98 0.09 3.58 0.01 -1.26 -4.00 113.70 120.34 3iwk s SER 137 Ca -0.01 2.42 0.09 0.00 1.31 0.00 0.00 55.95 59.76 3iwk s SER 137 Cb -0.16 -2.62 -0.03 0.00 0.21 0.00 0.00 66.02 63.41 3iwk s SER 137 CO -0.08 -0.42 -0.24 -0.76 0.41 0.00 0.00 173.24 172.15 3iwk s LEU 138 N -0.84 2.25 0.00 2.44 1.43 -1.26 -5.02 118.68 117.67 3iwk s LEU 138 Ca 0.51 -0.65 0.09 0.00 -1.03 0.00 0.00 54.13 53.05 3iwk s LEU 138 Cb -0.36 -1.11 0.43 0.00 0.03 0.00 0.00 46.19 45.19 3iwk s LEU 138 CO 0.42 0.17 1.18 -0.81 0.23 0.00 0.00 176.35 177.54 3iwk n PRO 139 N 1.35 0.10 -3.94 1.29 -0.04 -1.26 -4.66 135.00 127.84 3iwk n PRO 139 Ca -0.18 0.23 -0.10 0.00 -0.04 0.00 0.00 63.50 63.41 3iwk n PRO 139 Cb 0.53 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.37 3iwk n PRO 139 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3iwk s MET 140 N -2.65 0.26 0.00 0.54 0.23 -1.26 -5.06 119.30 111.36 3iwk s MET 140 Ca 0.08 -0.43 0.28 0.00 -1.03 0.00 0.00 55.69 54.59 3iwk s MET 140 Cb 0.06 0.10 1.13 0.00 -1.53 0.00 0.00 34.83 34.59 3iwk s MET 140 CO 0.14 -0.05 1.79 -0.40 -2.03 0.00 0.00 175.02 174.47 3iwk n ASP 141 N 1.95 1.16 0.11 -1.18 5.75 -1.26 -3.61 116.55 119.47 3iwk n ASP 141 Ca -0.21 -1.27 0.13 0.00 -0.01 0.00 0.00 54.79 53.43 3iwk n ASP 141 Cb 0.56 0.01 0.43 0.00 -1.03 0.00 0.00 41.12 41.10 3iwk n ASP 141 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 3iwk n THR 142 N -0.19 0.66 -4.28 2.12 -2.24 -1.26 -4.77 114.28 104.33 3iwk n THR 142 Ca 0.18 -0.12 -0.23 0.00 -2.27 0.00 0.00 64.05 61.61 3iwk n THR 142 Cb 0.32 -0.77 -0.12 0.00 -2.10 0.00 0.00 70.33 67.66 3iwk n THR 142 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3iwk s PHE 143 N -3.17 1.72 0.02 4.78 0.40 -1.24 0.76 117.98 121.26 3iwk s PHE 143 Ca 0.09 -0.43 0.03 0.00 -0.60 0.00 0.00 56.93 56.01 3iwk s PHE 143 Cb 0.11 -0.94 -0.02 0.00 0.51 0.00 0.00 43.02 42.69 3iwk s PHE 143 CO 0.53 0.20 -0.09 -1.59 0.70 0.00 0.00 175.22 174.98 3iwk s LYS 144 N -2.01 0.64 0.05 0.44 -2.85 -0.76 -4.89 119.74 110.36 3iwk s LYS 144 Ca 0.07 -0.53 0.04 0.00 -1.00 0.00 0.00 55.97 54.55 3iwk s LYS 144 Cb -0.09 -0.56 -0.02 0.00 -2.06 0.00 0.00 37.83 35.09 3iwk s LYS 144 CO 0.04 0.14 -0.13 0.45 0.10 0.00 0.00 175.35 175.96 3iwk s SER 145 N -0.84 1.47 0.25 0.03 0.15 -1.26 -0.83 113.70 112.68 3iwk s SER 145 Ca -0.01 -0.49 -0.09 0.00 0.70 0.00 0.00 55.95 56.05 3iwk s SER 145 Cb -0.06 -0.06 -0.01 0.00 -1.71 0.00 0.00 66.02 64.17 3iwk s SER 145 CO 0.00 -0.03 0.41 -0.72 1.20 0.00 0.00 173.24 174.10 3iwk s TYR 146 N -1.01 0.61 0.02 3.44 -0.85 -0.23 -0.48 117.35 118.85 3iwk s TYR 146 Ca -0.01 -0.93 0.08 0.00 -0.52 0.00 0.00 57.07 55.69 3iwk s TYR 146 Cb -0.08 0.02 -0.03 0.00 0.38 0.00 0.00 41.96 42.24 3iwk s TYR 146 CO 0.01 -0.95 -0.23 0.96 -1.52 0.00 0.00 175.55 173.82 3iwk s ILE 147 N -3.89 2.37 -0.04 -3.49 -4.36 -0.72 -0.86 121.20 110.20 3iwk s ILE 147 Ca 0.27 -1.23 -0.01 0.00 -0.26 0.00 0.00 60.65 59.41 3iwk s ILE 147 Cb 0.01 -1.93 -0.04 0.00 1.25 0.00 0.00 42.46 41.76 3iwk s ILE 147 CO 0.11 0.42 0.03 -0.76 0.24 0.00 0.00 174.94 174.98 3iwk s LEU 148 N -1.14 3.71 -0.39 0.37 1.43 -0.07 -1.41 118.68 121.19 3iwk s LEU 148 Ca 0.12 0.13 -0.09 0.00 -1.03 0.00 0.00 54.13 53.26 3iwk s LEU 148 Cb -0.10 -2.01 0.05 0.00 0.03 0.00 0.00 46.19 44.16 3iwk s LEU 148 CO 0.02 0.33 0.21 -0.54 0.23 0.00 0.00 176.35 176.59 3iwk s LYS 149 N -1.30 2.67 0.11 1.70 1.02 -1.26 -0.87 119.74 121.81 3iwk s LYS 149 Ca 0.18 -1.27 0.05 0.00 0.02 0.00 0.00 55.97 54.95 3iwk s LYS 149 Cb -0.12 -3.69 -0.04 0.00 -0.52 0.00 0.00 37.83 33.46 3iwk s LYS 149 CO 0.08 -0.80 0.01 -1.21 -0.92 0.00 0.00 175.35 172.50 3iwk s GLU 150 N 1.46 2.53 0.54 1.68 2.02 0.07 -4.89 118.70 122.10 3iwk s GLU 150 Ca 0.02 -0.90 -0.22 0.00 0.02 0.00 0.00 54.97 53.88 3iwk s GLU 150 Cb -0.21 -2.50 -0.05 0.00 0.10 0.00 0.00 34.13 31.47 3iwk s GLU 150 CO 0.04 0.52 1.36 -1.25 0.02 0.00 0.00 175.26 175.94 3iwk s PRO 151 N -2.50 3.21 0.50 0.39 0.04 -1.26 0.58 135.00 135.96 3iwk s PRO 151 Ca 0.26 2.23 0.28 0.00 0.04 0.00 0.00 61.00 63.82 3iwk s PRO 151 Cb -0.11 -2.29 1.23 0.00 0.04 0.00 0.00 34.50 33.36 3iwk s PRO 151 CO 0.19 -1.14 1.95 0.97 0.04 0.00 0.00 177.00 179.01 3iwk h ILE 152 N 1.53 0.39 0.00 0.56 6.09 -1.62 -3.42 117.51 121.04 3iwk h ILE 152 Ca -0.51 -0.78 0.00 0.00 -1.37 0.00 0.00 64.86 62.20 3iwk h ILE 152 Cb 1.30 1.57 0.00 0.00 0.47 0.00 0.00 36.82 40.15 3iwk h ILE 152 CO 0.58 0.13 0.00 0.61 -3.07 0.00 0.00 178.15 176.40 3iwk n GLY 153 N -0.13 0.16 3.68 8.18 0.00 -1.26 -4.84 105.19 110.98 3iwk n GLY 153 Ca -0.00 -1.26 -0.37 0.00 0.00 0.00 0.00 46.02 44.39 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 -2.39 120.40 124.57 3iwk s VAL 154 Ca 0.00 0.52 0.05 0.00 0.00 0.00 0.00 61.98 62.56 3iwk s VAL 154 Cb 0.00 -3.64 -0.01 0.00 0.00 0.00 0.00 36.38 32.73 3iwk s VAL 154 CO 0.00 0.31 -0.24 0.68 0.00 0.00 0.00 175.10 175.85 3iwk s VAL 155 N 1.01 2.09 -0.28 2.92 -7.23 -0.23 -0.12 120.40 118.56 3iwk s VAL 155 Ca 0.15 -1.04 -0.14 0.00 -1.81 0.00 0.00 61.98 59.15 3iwk s VAL 155 Cb -0.14 -1.77 -0.04 0.00 0.56 0.00 0.00 36.38 34.99 3iwk s VAL 155 CO 0.06 0.57 0.31 0.00 -0.31 0.00 0.00 175.10 175.72 3iwk s ALA 156 N -0.00 3.55 -0.28 1.32 0.00 -0.43 -0.72 121.76 125.20 3iwk s ALA 156 Ca -0.08 -0.95 -0.05 0.00 0.00 0.00 0.00 51.96 50.87 3iwk s ALA 156 Cb -0.15 -2.64 0.01 0.00 0.00 0.00 0.00 23.12 20.34 3iwk s ALA 156 CO 0.05 -0.66 0.03 -0.51 0.00 0.00 0.00 175.76 174.67 3iwk s LEU 157 N 1.95 3.58 -0.27 0.00 1.02 0.53 -1.18 118.68 124.31 3iwk s LEU 157 Ca 0.12 -0.72 0.03 0.00 0.02 0.00 0.00 54.13 53.57 3iwk s LEU 157 Cb -0.16 -1.81 0.06 0.00 0.02 0.00 0.00 46.19 44.31 3iwk s LEU 157 CO 0.10 -0.16 -0.08 -0.63 0.02 0.00 0.00 176.35 175.60 3iwk s ILE 158 N 1.45 2.24 0.15 -0.59 1.01 -0.42 -0.05 121.20 124.99 3iwk s ILE 158 Ca 0.02 -1.71 0.09 0.00 0.00 0.00 0.00 60.65 59.05 3iwk s ILE 158 Cb -0.17 -2.36 -0.04 0.00 0.01 0.00 0.00 42.46 39.90 3iwk s ILE 158 CO 0.00 -0.10 -0.12 0.42 0.00 0.00 0.00 174.94 175.14 3iwk s THR 159 N 1.09 3.12 0.70 2.92 -4.23 -1.10 -1.50 115.64 116.63 3iwk s THR 159 Ca -0.06 -1.55 -0.01 0.00 -1.18 0.00 0.00 61.69 58.88 3iwk s THR 159 Cb -0.20 -2.50 0.11 0.00 1.34 0.00 0.00 72.50 71.25 3iwk s THR 159 CO -0.05 -0.02 0.96 -2.16 -0.54 0.00 0.00 174.62 172.82 3iwk s PRO 160 N -2.54 1.82 0.05 3.99 0.04 -1.21 -2.82 135.00 134.33 3iwk s PRO 160 Ca 0.22 -1.02 0.23 0.00 0.04 0.00 0.00 61.00 60.48 3iwk s PRO 160 Cb -0.10 -2.34 0.18 0.00 0.04 0.00 0.00 34.50 32.28 3iwk s PRO 160 CO 0.14 -1.33 1.15 -2.67 0.04 0.00 0.00 177.00 174.32 3iwk n TRP 161 N -2.77 0.23 0.12 0.56 4.27 -1.26 -4.04 117.44 114.54 3iwk n TRP 161 Ca 0.14 0.07 -0.02 0.00 -3.89 0.00 0.00 57.50 53.79 3iwk n TRP 161 Cb 0.60 -0.39 0.19 0.00 -1.36 0.00 0.00 31.31 30.35 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 0.00 0.14 -2.10 -0.67 -1.07 -1.96 -3.29 115.58 106.63 3iwk h ASN 162 Ca 0.00 -0.07 -0.57 0.00 0.07 0.00 0.00 56.30 55.73 3iwk h ASN 162 Cb 0.66 -0.04 -0.40 0.00 -2.07 0.00 0.00 38.32 36.47 3iwk h ASN 162 CO 0.00 0.66 -0.96 -1.22 0.07 0.00 0.00 177.43 175.98 3iwk n TYR 163 N -3.90 0.69 -0.14 4.14 4.01 -1.26 -5.01 117.16 115.69 3iwk n TYR 163 Ca -0.02 -3.71 -0.06 0.00 -0.16 0.00 0.00 57.90 53.95 3iwk n TYR 163 Cb 0.57 -0.37 0.00 0.00 -0.31 0.00 0.00 39.34 39.23 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 4.18 -0.18 0.14 -0.72 0.11 -1.70 0.25 132.00 134.07 3iwk h PRO 164 Ca 0.12 0.01 -0.19 0.00 0.11 0.00 0.00 66.00 66.05 3iwk h PRO 164 Cb 0.82 0.04 0.02 0.00 0.11 0.00 0.00 31.00 32.00 3iwk h PRO 164 CO 0.56 -0.12 -0.81 0.35 -0.21 0.00 0.00 178.00 177.76 3iwk h PHE 165 N -0.19 0.56 -0.22 0.65 3.57 -1.92 -2.96 116.94 116.43 3iwk h PHE 165 Ca 0.20 -0.40 -0.00 0.00 3.53 0.00 0.00 57.97 61.30 3iwk h PHE 165 Cb 0.51 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.21 3iwk h PHE 165 CO -0.53 1.31 0.13 1.25 -2.23 0.00 0.00 178.31 178.24 3iwk h LEU 166 N -0.35 0.27 -0.60 0.59 5.85 -1.82 -0.12 115.31 119.14 3iwk h LEU 166 Ca -0.14 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.50 3iwk h LEU 166 Cb 1.64 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 42.57 3iwk h LEU 166 CO 0.15 0.25 0.29 0.24 -0.34 0.00 0.00 178.44 179.03 3iwk h MET 167 N 0.27 0.86 -0.33 1.25 2.86 -1.08 0.43 114.93 119.20 3iwk h MET 167 Ca 0.08 -0.13 0.05 0.00 -2.06 0.00 0.00 59.70 57.64 3iwk h MET 167 Cb 0.03 -0.16 -0.04 0.00 0.06 0.00 0.00 31.60 31.49 3iwk h MET 167 CO -0.01 0.70 0.05 0.00 1.06 0.00 0.00 176.91 178.70 3iwk h ALA 168 N 1.12 0.33 -0.63 6.32 0.00 -1.35 -2.86 119.26 122.20 3iwk h ALA 168 Ca 0.21 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 3iwk h ALA 168 Cb 0.12 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3iwk h ALA 168 CO -0.03 -0.35 0.19 1.15 0.00 0.00 0.00 179.25 180.21 3iwk h THR 169 N 0.16 1.25 -1.04 0.00 2.02 -0.44 0.46 112.91 115.31 3iwk h THR 169 Ca 0.15 -0.86 0.30 0.00 0.77 0.00 0.00 66.41 66.77 3iwk h THR 169 Cb 0.18 0.61 -0.04 0.00 -1.74 0.00 0.00 68.15 67.16 3iwk h THR 169 CO -0.21 0.33 0.75 -0.50 0.37 0.00 0.00 175.52 176.25 3iwk h TRP 170 N 0.91 0.03 0.00 3.16 4.06 0.07 -1.57 115.95 122.61 3iwk h TRP 170 Ca 0.20 0.00 -0.37 0.00 2.06 0.00 0.00 58.89 60.78 3iwk h TRP 170 Cb 0.31 -0.01 -0.06 0.00 -1.00 0.00 0.00 29.16 28.40 3iwk h TRP 170 CO 0.02 0.00 -2.07 1.63 -3.56 0.00 0.00 178.44 174.47 3iwk n LYS 171 N -4.24 0.58 -0.21 0.49 5.02 -0.77 -4.49 118.16 114.54 3iwk n LYS 171 Ca 0.22 0.36 -0.08 0.00 -2.02 0.00 0.00 58.31 56.80 3iwk n LYS 171 Cb 1.10 -1.57 0.06 0.00 -0.02 0.00 0.00 35.03 34.59 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 -1.00 1.26 0.28 -0.18 -0.00 -0.79 -2.43 117.51 114.66 3iwk h ILE 172 Ca -0.56 -1.08 -0.00 0.00 -0.00 0.00 0.00 64.86 63.22 3iwk h ILE 172 Cb 1.48 0.73 -0.01 0.00 -0.00 0.00 0.00 36.82 39.01 3iwk h ILE 172 CO -0.34 0.40 -0.24 0.00 -0.00 0.00 0.00 178.15 177.97 3iwk h ALA 173 N 1.07 -0.52 -0.36 0.16 0.00 -1.53 0.10 119.26 118.19 3iwk h ALA 173 Ca 0.18 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 3iwk h ALA 173 Cb 0.49 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 3iwk h ALA 173 CO 0.02 -0.81 -0.18 -1.00 0.00 0.00 0.00 179.25 177.27 3iwk h PRO 174 N -0.53 0.66 -0.33 0.00 0.13 -1.78 -1.39 132.00 128.77 3iwk h PRO 174 Ca -0.02 -0.24 0.01 0.00 -0.87 0.00 0.00 66.00 64.89 3iwk h PRO 174 Cb 0.47 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 31.54 3iwk h PRO 174 CO -0.02 0.80 0.20 0.00 -0.23 0.00 0.00 178.00 178.75 3iwk h ALA 175 N 1.21 0.41 -0.34 -0.56 0.00 -1.11 0.15 119.26 119.02 3iwk h ALA 175 Ca 0.09 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 3iwk h ALA 175 Cb 0.64 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3iwk h ALA 175 CO 0.05 -0.16 -0.30 -0.07 0.00 0.00 0.00 179.25 178.77 3iwk h LEU 176 N 0.41 0.84 -1.59 0.00 3.38 -0.78 -0.20 115.31 117.37 3iwk h LEU 176 Ca 0.13 -0.46 0.08 0.00 0.09 0.00 0.00 57.88 57.72 3iwk h LEU 176 Cb -0.01 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.46 3iwk h LEU 176 CO -0.05 1.12 0.40 0.00 0.09 0.00 0.00 178.44 180.00 3iwk h ALA 177 N 0.75 1.93 0.00 1.53 0.00 -0.99 -0.86 119.26 121.62 3iwk h ALA 177 Ca 0.06 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 3iwk h ALA 177 Cb 0.87 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3iwk h ALA 177 CO 0.08 -0.05 -0.50 0.00 0.00 0.00 0.00 179.25 178.78 3iwk h ALA 178 N 1.69 0.93 0.00 0.00 0.00 -0.55 -3.43 119.26 117.90 3iwk h ALA 178 Ca 0.27 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3iwk h ALA 178 Cb 0.43 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3iwk h ALA 178 CO -0.08 0.62 0.00 0.41 0.00 0.00 0.00 179.25 180.20 3iwk n GLY 179 N 0.37 1.36 3.89 0.00 0.00 -0.33 -4.07 105.19 106.42 3iwk n GLY 179 Ca -0.00 0.00 -0.29 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 -2.66 3.70 0.04 0.00 0.00 -1.01 -4.41 121.76 117.43 3iwk s ALA 181 Ca 0.49 -0.71 0.08 0.00 0.00 0.00 0.00 51.96 51.83 3iwk s ALA 181 Cb -0.10 -1.81 -0.03 0.00 0.00 0.00 0.00 23.12 21.18 3iwk s ALA 181 CO 0.41 0.62 -0.24 0.00 0.00 0.00 0.00 175.76 176.56 3iwk s ALA 182 N -1.01 2.01 -0.22 0.00 0.00 0.64 -1.07 121.76 122.11 3iwk s ALA 182 Ca 0.16 -1.15 -0.01 0.00 0.00 0.00 0.00 51.96 50.95 3iwk s ALA 182 Cb -0.12 -0.42 0.02 0.00 0.00 0.00 0.00 23.12 22.60 3iwk s ALA 182 CO 0.05 0.47 -0.10 0.42 0.00 0.00 0.00 175.76 176.59 3iwk s ILE 183 N -0.77 2.66 -0.22 0.00 1.09 0.10 -0.66 121.20 123.40 3iwk s ILE 183 Ca 0.10 -0.95 -0.13 0.00 -1.10 0.00 0.00 60.65 58.56 3iwk s ILE 183 Cb -0.09 -2.28 -0.04 0.00 -1.06 0.00 0.00 42.46 38.98 3iwk s ILE 183 CO 0.02 0.32 0.28 -0.22 -0.10 0.00 0.00 174.94 175.24 3iwk s LEU 184 N 1.32 4.15 -0.54 2.97 2.96 0.13 -0.35 118.68 129.31 3iwk s LEU 184 Ca 0.02 0.33 -0.03 0.00 -0.22 0.00 0.00 54.13 54.22 3iwk s LEU 184 Cb -0.15 -2.31 0.14 0.00 0.50 0.00 0.00 46.19 44.37 3iwk s LEU 184 CO -0.07 0.01 0.36 -0.75 -1.32 0.00 0.00 176.35 174.57 3iwk s LYS 185 N 1.11 2.38 0.81 1.98 2.36 0.93 -1.32 119.74 127.98 3iwk s LYS 185 Ca 0.13 -2.24 -0.12 0.00 -2.55 0.00 0.00 55.97 51.20 3iwk s LYS 185 Cb -0.14 -3.70 0.08 0.00 -1.05 0.00 0.00 37.83 33.01 3iwk s LYS 185 CO 0.06 -1.14 1.13 -1.25 1.55 0.00 0.00 175.35 175.69 3iwk s PRO 186 N 0.45 2.01 0.33 4.03 0.04 -1.26 -2.70 135.00 137.89 3iwk s PRO 186 Ca 0.13 0.38 -0.29 0.00 0.04 0.00 0.00 61.00 61.26 3iwk s PRO 186 Cb -0.21 -1.93 -0.10 0.00 0.04 0.00 0.00 34.50 32.29 3iwk s PRO 186 CO -0.04 -1.61 1.39 0.45 0.04 0.00 0.00 177.00 177.23 3iwk s SER 187 N -4.21 6.63 0.63 6.66 0.15 -1.13 -4.57 113.70 117.85 3iwk s SER 187 Ca 0.61 2.79 0.42 0.00 0.70 0.00 0.00 55.95 60.47 3iwk s SER 187 Cb -0.13 -2.65 2.25 0.00 -1.71 0.00 0.00 66.02 63.78 3iwk s SER 187 CO 0.52 -0.66 2.29 1.05 1.20 0.00 0.00 173.24 177.63 3iwk h GLU 188 N 3.62 0.00 0.00 5.44 9.09 -1.94 -2.03 114.58 128.76 3iwk h GLU 188 Ca -0.49 0.00 -0.05 0.00 0.05 0.00 0.00 59.36 58.87 3iwk h GLU 188 Cb 1.23 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.32 3iwk h GLU 188 CO 0.68 0.00 -0.35 -0.07 0.05 0.00 0.00 179.01 179.32 3iwk h LEU 189 N 0.00 0.00 -6.14 3.06 3.38 -1.93 -3.42 115.31 110.26 3iwk h LEU 189 Ca 0.00 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.71 3iwk h LEU 189 Cb 0.05 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 40.53 3iwk h LEU 189 CO 0.00 0.21 -0.61 0.00 0.09 0.00 0.00 178.44 178.14 3iwk s ALA 190 N -3.12 -1.11 -0.42 1.53 0.00 -0.77 -4.73 121.76 113.13 3iwk s ALA 190 Ca 0.05 -0.62 0.04 0.00 0.00 0.00 0.00 51.96 51.43 3iwk s ALA 190 Cb 0.07 -2.31 0.02 0.00 0.00 0.00 0.00 23.12 20.89 3iwk s ALA 190 CO 0.72 -2.17 0.54 0.43 0.00 0.00 0.00 175.76 175.27 3iwk n SER 191 N 4.14 1.11 0.35 0.00 7.64 -1.21 -4.31 113.62 121.35 3iwk n SER 191 Ca 0.13 -1.06 -0.16 0.00 1.01 0.00 0.00 58.87 58.79 3iwk n SER 191 Cb 0.50 0.18 -0.08 0.00 -1.01 0.00 0.00 64.21 63.80 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 0.62 0.24 0.00 0.44 2.07 -1.94 -2.26 116.25 115.42 3iwk h VAL 192 Ca 0.00 -0.22 -0.05 0.00 0.82 0.00 0.00 66.70 67.25 3iwk h VAL 192 Cb 0.15 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 3iwk h VAL 192 CO 0.00 0.02 -0.24 0.71 0.02 0.00 0.00 177.57 178.08 3iwk h THR 193 N -1.07 0.68 -0.24 2.57 1.35 -1.89 -2.29 112.91 112.02 3iwk h THR 193 Ca -0.09 -1.06 -0.13 0.00 -0.55 0.00 0.00 66.41 64.58 3iwk h THR 193 Cb 0.72 1.68 -0.01 0.00 -1.73 0.00 0.00 68.15 68.81 3iwk h THR 193 CO 0.15 0.24 -0.38 0.00 -0.25 0.00 0.00 175.52 175.28 3iwk h LEU 195 N 0.45 0.65 -1.28 0.00 3.38 -1.07 -2.98 115.31 114.46 3iwk h LEU 195 Ca 0.04 -0.38 0.17 0.00 0.09 0.00 0.00 57.88 57.81 3iwk h LEU 195 Cb 0.86 -0.19 -0.08 0.00 0.09 0.00 0.00 40.66 41.35 3iwk h LEU 195 CO 0.07 1.11 0.59 -0.33 0.09 0.00 0.00 178.44 179.98 3iwk h GLU 196 N 0.42 0.62 0.00 1.13 3.07 -1.20 0.37 114.58 118.99 3iwk h GLU 196 Ca -0.01 -0.04 -0.02 0.00 -0.50 0.00 0.00 59.36 58.80 3iwk h GLU 196 Cb 1.19 -0.14 -0.00 0.00 -0.84 0.00 0.00 28.75 28.95 3iwk h GLU 196 CO 0.12 0.41 -0.08 1.25 -1.40 0.00 0.00 179.01 179.30 3iwk h LEU 197 N 0.64 0.00 -0.34 1.33 5.85 -1.26 -2.26 115.31 119.27 3iwk h LEU 197 Ca 0.48 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 59.20 3iwk h LEU 197 Cb 0.88 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.90 3iwk h LEU 197 CO -0.24 0.08 0.21 1.23 -0.34 0.00 0.00 178.44 179.38 3iwk h GLY 198 N 0.34 0.49 1.67 3.75 0.00 -0.96 -1.63 103.07 106.73 3iwk h GLY 198 Ca -0.00 -0.20 -0.09 0.00 0.00 0.00 0.00 47.33 47.03 3iwk h GLY 198 CO 0.01 0.20 -0.29 -2.09 0.00 0.00 0.00 176.54 174.37 3iwk h GLU 199 N 0.44 0.39 -0.49 4.80 4.57 -1.44 -2.32 114.58 120.53 3iwk h GLU 199 Ca 0.12 -0.15 -0.12 0.00 -1.18 0.00 0.00 59.36 58.04 3iwk h GLU 199 Cb 0.00 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.56 3iwk h GLU 199 CO -0.02 0.64 -0.15 0.82 -1.18 0.00 0.00 179.01 179.12 3iwk h ILE 200 N 0.34 1.27 -0.78 2.32 2.04 -1.24 0.21 117.51 121.66 3iwk h ILE 200 Ca 0.05 -1.29 -0.02 0.00 1.00 0.00 0.00 64.86 64.60 3iwk h ILE 200 Cb 0.69 1.05 -0.04 0.00 -0.74 0.00 0.00 36.82 37.78 3iwk h ILE 200 CO 0.05 0.45 0.41 0.00 0.00 0.00 0.00 178.15 179.06 3iwk h LYS 202 N 1.09 0.69 0.00 0.00 3.64 -0.92 -0.80 116.57 120.27 3iwk h LYS 202 Ca 0.27 -0.16 -0.02 0.00 -1.27 0.00 0.00 60.65 59.47 3iwk h LYS 202 Cb 0.07 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.79 3iwk h LYS 202 CO -0.04 0.69 -0.10 0.93 -2.27 0.00 0.00 179.45 178.66 3iwk h GLU 203 N 0.56 0.00 -0.01 1.90 5.08 -0.37 -2.61 114.58 119.12 3iwk h GLU 203 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3iwk h GLU 203 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 3iwk h GLU 203 CO -0.00 0.10 -0.54 0.28 -1.00 0.00 0.00 179.01 177.85 3iwk n VAL 204 N -3.37 0.00 -2.18 3.13 0.31 -0.49 -4.99 118.33 110.73 3iwk n VAL 204 Ca -0.01 -0.23 -0.08 0.00 -0.01 0.00 0.00 64.34 64.01 3iwk n VAL 204 Cb 0.28 1.22 -0.00 0.00 -0.91 0.00 0.00 33.84 34.43 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 1.42 0.04 3.72 2.92 0.00 -0.52 -4.99 105.19 107.78 3iwk n GLY 205 Ca 0.08 -0.54 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.38 4.37 0.24 0.99 2.96 -0.42 -4.88 118.68 119.56 3iwk s LEU 206 Ca 0.01 2.85 -0.30 0.00 -0.22 0.00 0.00 54.13 56.47 3iwk s LEU 206 Cb -0.00 -3.60 -0.15 0.00 0.50 0.00 0.00 46.19 42.94 3iwk s LEU 206 CO 0.01 -0.98 1.05 -2.65 -1.32 0.00 0.00 176.35 172.46 3iwk n PRO 207 N 4.22 1.20 -1.59 0.98 -0.02 -1.26 -4.82 135.00 133.71 3iwk n PRO 207 Ca 0.16 0.43 -0.52 0.00 -2.02 0.00 0.00 63.50 61.55 3iwk n PRO 207 Cb 0.36 -1.83 -0.06 0.00 -0.02 0.00 0.00 33.50 31.95 3iwk n PRO 207 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3iwk n ARG 208 N 1.18 1.16 0.00 -0.52 3.00 -1.26 -2.52 116.66 117.70 3iwk n ARG 208 Ca 0.12 0.42 0.00 0.00 -0.01 0.00 0.00 57.85 58.38 3iwk n ARG 208 Cb 0.29 -2.05 0.00 0.00 0.00 0.00 0.00 32.46 30.69 3iwk n ARG 208 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3iwk n GLY 209 N 2.49 2.06 0.33 -0.13 0.00 -1.26 -4.58 105.19 104.09 3iwk n GLY 209 Ca 0.18 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.16 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 1.24 -3.32 1.61 2.07 -1.78 -3.32 116.25 112.74 3iwk h VAL 210 Ca 0.00 -0.77 -0.46 0.00 0.82 0.00 0.00 66.70 66.29 3iwk h VAL 210 Cb 0.00 0.45 -0.36 0.00 -1.52 0.00 0.00 31.29 29.86 3iwk h VAL 210 CO 0.00 0.31 -0.78 -0.22 0.02 0.00 0.00 177.57 176.89 3iwk s LEU 211 N -9.56 1.09 -0.06 2.57 2.96 -1.26 -0.26 118.68 114.17 3iwk s LEU 211 Ca -0.11 -0.17 0.04 0.00 -0.22 0.00 0.00 54.13 53.67 3iwk s LEU 211 Cb 0.16 -0.58 -0.00 0.00 0.50 0.00 0.00 46.19 46.26 3iwk s LEU 211 CO 0.82 -0.10 -0.19 0.20 -1.32 0.00 0.00 176.35 175.75 3iwk s ASN 212 N 1.42 2.40 -0.25 3.68 0.01 0.17 -4.69 114.94 117.67 3iwk s ASN 212 Ca -0.02 -0.40 -0.00 0.00 -0.71 0.00 0.00 52.86 51.72 3iwk s ASN 212 Cb -0.13 -0.78 0.04 0.00 0.41 0.00 0.00 41.25 40.78 3iwk s ASN 212 CO -0.03 0.15 -0.09 -0.63 -1.51 0.00 0.00 177.10 175.00 3iwk s ILE 213 N 0.13 2.59 -0.23 0.60 1.01 0.47 0.17 121.20 125.93 3iwk s ILE 213 Ca -0.07 -1.21 0.02 0.00 0.00 0.00 0.00 60.65 59.39 3iwk s ILE 213 Cb -0.13 -2.36 0.05 0.00 0.01 0.00 0.00 42.46 40.02 3iwk s ILE 213 CO 0.04 0.16 -0.14 -0.69 0.00 0.00 0.00 174.94 174.31 3iwk s VAL 214 N 1.26 2.17 0.27 2.92 1.01 -0.44 -1.91 120.40 125.68 3iwk s VAL 214 Ca -0.02 -1.38 0.06 0.00 0.00 0.00 0.00 61.98 60.64 3iwk s VAL 214 Cb -0.17 -2.15 -0.03 0.00 0.00 0.00 0.00 36.38 34.03 3iwk s VAL 214 CO -0.05 0.17 0.35 0.42 0.00 0.00 0.00 175.10 175.99 3iwk s THR 215 N 1.17 4.71 -5.00 3.92 -4.23 -1.26 -4.12 115.64 110.83 3iwk s THR 215 Ca -0.04 -1.09 0.00 0.00 -1.18 0.00 0.00 61.69 59.38 3iwk s THR 215 Cb -0.17 -3.62 0.00 0.00 1.34 0.00 0.00 72.50 70.04 3iwk s THR 215 CO -0.08 -0.28 0.00 0.61 -0.54 0.00 0.00 174.62 174.33 3iwk n GLY 216 N -1.42 -0.37 3.76 3.99 0.00 -1.25 -0.14 105.19 109.75 3iwk n GLY 216 Ca -0.06 -1.48 -0.40 0.00 0.00 0.00 0.00 46.02 44.08 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 4.46 0.26 0.99 1.02 -1.26 -4.03 118.68 120.12 3iwk s LEU 217 Ca 0.00 2.35 -0.03 0.00 0.02 0.00 0.00 54.13 56.47 3iwk s LEU 217 Cb 0.00 -3.71 0.44 0.00 0.02 0.00 0.00 46.19 42.94 3iwk s LEU 217 CO 0.00 -0.30 1.82 1.23 0.02 0.00 0.00 176.35 179.12 3iwk h GLY 218 N 3.52 1.40 2.00 -3.19 0.00 -1.95 0.26 103.07 105.11 3iwk h GLY 218 Ca -0.47 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 46.50 3iwk h GLY 218 CO 0.66 0.15 0.00 1.12 0.00 0.00 0.00 176.54 178.47 3iwk h HIS 219 N 0.87 0.00 0.00 5.60 2.07 -1.95 0.14 115.15 121.89 3iwk h HIS 219 Ca 0.43 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.95 3iwk h HIS 219 Cb 0.39 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.37 3iwk h HIS 219 CO -0.04 0.00 0.00 0.39 -3.07 0.00 0.00 177.93 175.21 3iwk n GLU 220 N -2.79 0.00 0.15 5.12 1.02 -0.87 -4.37 120.64 118.90 3iwk n GLU 220 Ca 0.03 0.02 -0.14 0.00 -0.02 0.00 0.00 57.16 57.05 3iwk n GLU 220 Cb 0.41 -0.27 -0.08 0.00 -0.02 0.00 0.00 31.44 31.48 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 -2.00 -0.36 -0.39 0.62 0.00 -0.56 -1.97 119.26 114.60 3iwk h ALA 221 Ca 0.00 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 3iwk h ALA 221 Cb 0.00 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3iwk h ALA 221 CO 0.00 -0.63 0.23 0.78 0.00 0.00 0.00 179.25 179.63 3iwk h GLY 222 N -0.51 0.57 0.97 0.00 0.00 -1.26 -1.90 103.07 100.94 3iwk h GLY 222 Ca -0.04 -0.25 -0.03 0.00 0.00 0.00 0.00 47.33 47.02 3iwk h GLY 222 CO 0.06 0.24 0.20 0.00 0.00 0.00 0.00 176.54 177.04 3iwk h ALA 223 N 1.09 0.64 -0.64 3.60 0.00 -0.76 -0.32 119.26 122.87 3iwk h ALA 223 Ca 0.14 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3iwk h ALA 223 Cb 0.03 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 3iwk h ALA 223 CO -0.02 0.24 0.31 0.77 0.00 0.00 0.00 179.25 180.55 3iwk h SER 224 N 0.66 0.80 0.15 0.00 0.02 -1.25 -0.76 113.55 113.17 3iwk h SER 224 Ca 0.17 -0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 3iwk h SER 224 Cb 0.18 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.52 3iwk h SER 224 CO -0.01 0.68 -0.07 0.25 -1.14 0.00 0.00 176.83 176.53 3iwk h LEU 225 N 0.90 -0.17 -1.67 5.07 5.85 -1.03 -2.42 115.31 121.84 3iwk h LEU 225 Ca 0.22 -0.35 0.02 0.00 0.84 0.00 0.00 57.88 58.61 3iwk h LEU 225 Cb 0.08 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 3iwk h LEU 225 CO -0.03 0.32 0.25 0.00 -0.34 0.00 0.00 178.44 178.64 3iwk h ALA 226 N -0.04 1.80 0.00 1.25 0.00 -0.99 -2.42 119.26 118.87 3iwk h ALA 226 Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3iwk h ALA 226 Cb 0.52 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3iwk h ALA 226 CO 0.03 0.16 -0.22 0.45 0.00 0.00 0.00 179.25 179.68 3iwk n SER 227 N -4.48 0.71 -4.73 0.00 2.88 -0.30 -4.66 113.62 103.03 3iwk n SER 227 Ca 0.03 0.40 -0.42 0.00 -1.33 0.00 0.00 58.87 57.55 3iwk n SER 227 Cb 0.12 -0.43 -0.03 0.00 -0.75 0.00 0.00 64.21 63.12 3iwk n SER 227 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 3iwk s HIS 228 N -3.11 2.98 -0.18 0.66 5.04 -0.91 -4.89 115.29 114.87 3iwk s HIS 228 Ca 0.10 0.65 0.28 0.00 -1.54 0.00 0.00 55.06 54.55 3iwk s HIS 228 Cb 0.13 -3.98 1.24 0.00 0.04 0.00 0.00 32.58 30.01 3iwk s HIS 228 CO 0.63 -3.53 1.84 -1.00 -2.34 0.00 0.00 174.74 170.35 3iwk h PRO 229 N 6.23 0.00 -0.03 2.88 0.13 -1.91 -3.01 132.00 136.30 3iwk h PRO 229 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 3iwk h PRO 229 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3iwk h PRO 229 CO 0.88 0.00 -0.10 -0.25 -0.23 0.00 0.00 178.00 178.31 3iwk n ASP 230 N -2.57 2.63 -4.71 1.44 8.00 -1.26 -4.87 116.55 115.20 3iwk n ASP 230 Ca 0.01 -1.83 -0.42 0.00 0.71 0.00 0.00 54.79 53.26 3iwk n ASP 230 Cb 0.22 0.09 -0.03 0.00 -0.02 0.00 0.00 41.12 41.38 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 -2.10 4.52 -0.10 2.53 1.01 -1.14 -4.71 120.40 120.41 3iwk s VAL 231 Ca 0.27 1.86 0.09 0.00 0.00 0.00 0.00 61.98 64.19 3iwk s VAL 231 Cb 0.20 -4.19 -0.24 0.00 0.00 0.00 0.00 36.38 32.15 3iwk s VAL 231 CO 0.36 0.17 0.44 0.47 0.00 0.00 0.00 175.10 176.54 3iwk n ASP 232 N 3.69 1.05 -3.79 3.32 8.00 0.83 -4.97 116.55 124.70 3iwk n ASP 232 Ca 0.06 0.27 -0.13 0.00 0.71 0.00 0.00 54.79 55.70 3iwk n ASP 232 Cb 0.49 -0.07 -0.10 0.00 -0.02 0.00 0.00 41.12 41.42 3iwk n ASP 232 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3iwk s LYS 233 N -2.57 0.48 -0.16 -1.24 2.20 -1.08 -4.01 119.74 113.36 3iwk s LYS 233 Ca -0.11 0.06 -0.01 0.00 -0.36 0.00 0.00 55.97 55.55 3iwk s LYS 233 Cb 0.07 0.22 -0.01 0.00 -1.51 0.00 0.00 37.83 36.60 3iwk s LYS 233 CO 0.80 -0.10 -0.11 0.42 -0.36 0.00 0.00 175.35 176.00 3iwk s ILE 234 N -0.62 3.04 -0.23 5.43 1.01 -0.97 -1.32 121.20 127.53 3iwk s ILE 234 Ca -0.07 -0.64 -0.03 0.00 0.00 0.00 0.00 60.65 59.90 3iwk s ILE 234 Cb -0.04 -2.31 0.00 0.00 0.01 0.00 0.00 42.46 40.12 3iwk s ILE 234 CO 0.02 0.49 -0.04 -0.55 0.00 0.00 0.00 174.94 174.86 3iwk s SER 235 N 0.82 4.33 -0.01 3.58 0.15 -0.33 -1.59 113.70 120.66 3iwk s SER 235 Ca -0.04 -0.56 0.06 0.00 0.70 0.00 0.00 55.95 56.11 3iwk s SER 235 Cb -0.15 -1.72 -0.02 0.00 -1.71 0.00 0.00 66.02 62.42 3iwk s SER 235 CO 0.01 -0.07 -0.18 0.12 1.20 0.00 0.00 173.24 174.32 3iwk s PHE 236 N 1.43 1.64 -0.05 3.44 5.36 -0.53 -1.30 117.98 127.98 3iwk s PHE 236 Ca 0.04 -0.32 -0.01 0.00 -0.96 0.00 0.00 56.93 55.68 3iwk s PHE 236 Cb -0.15 -1.05 0.03 0.00 -0.34 0.00 0.00 43.02 41.51 3iwk s PHE 236 CO -0.03 -0.01 0.00 0.99 -1.46 0.00 0.00 175.22 174.71 3iwk s THR 237 N -0.48 0.29 -2.78 0.12 2.01 -0.56 -1.15 115.64 113.07 3iwk s THR 237 Ca 0.07 0.12 0.00 0.00 0.31 0.00 0.00 61.69 62.19 3iwk s THR 237 Cb -0.07 -0.43 0.00 0.00 0.01 0.00 0.00 72.50 72.01 3iwk s THR 237 CO -0.00 0.22 0.00 0.61 -0.69 0.00 0.00 174.62 174.76 3iwk n GLY 238 N 4.80 -0.62 3.81 4.40 0.00 -0.82 -3.30 105.19 113.47 3iwk n GLY 238 Ca -0.13 -0.60 -0.33 0.00 0.00 0.00 0.00 46.02 44.96 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 6.26 0.18 1.61 1.04 -1.26 -3.67 113.70 113.86 3iwk s SER 239 Ca 0.00 1.77 -0.20 0.00 0.48 0.00 0.00 55.95 58.00 3iwk s SER 239 Cb 0.00 -2.53 0.13 0.00 0.10 0.00 0.00 66.02 63.72 3iwk s SER 239 CO 0.00 -0.84 1.60 0.28 0.98 0.00 0.00 173.24 175.26 3iwk h SER 240 N 0.98 -0.97 -0.81 7.02 0.02 -1.95 -0.80 113.55 117.04 3iwk h SER 240 Ca -0.48 0.20 -0.04 0.00 -0.84 0.00 0.00 61.79 60.63 3iwk h SER 240 Cb 1.21 0.50 -0.04 0.00 0.14 0.00 0.00 62.40 64.21 3iwk h SER 240 CO 0.59 -0.28 0.33 0.00 -1.14 0.00 0.00 176.83 176.33 3iwk h ALA 241 N 1.09 1.06 0.01 3.77 0.00 -1.99 -0.42 119.26 122.77 3iwk h ALA 241 Ca 0.23 -0.19 -0.25 0.00 0.00 0.00 0.00 54.91 54.70 3iwk h ALA 241 Cb 0.52 -0.32 0.02 0.00 0.00 0.00 0.00 17.79 18.01 3iwk h ALA 241 CO -0.62 0.67 -0.97 1.15 0.00 0.00 0.00 179.25 179.48 3iwk h THR 242 N 1.18 1.31 -0.99 0.00 2.02 -1.92 -1.86 112.91 112.65 3iwk h THR 242 Ca 0.27 -2.23 0.14 0.00 0.77 0.00 0.00 66.41 65.36 3iwk h THR 242 Cb 0.20 2.45 -0.09 0.00 -1.74 0.00 0.00 68.15 68.97 3iwk h THR 242 CO -0.02 0.68 0.62 1.23 0.37 0.00 0.00 175.52 178.40 3iwk h GLY 243 N 0.29 1.59 1.20 2.16 0.00 -0.92 0.36 103.07 107.75 3iwk h GLY 243 Ca -0.12 -0.39 -0.13 0.00 0.00 0.00 0.00 47.33 46.68 3iwk h GLY 243 CO 0.19 0.10 -0.24 0.23 0.00 0.00 0.00 176.54 176.82 3iwk h SER 244 N 0.90 0.93 -0.47 0.19 0.87 -0.99 -1.55 113.55 113.44 3iwk h SER 244 Ca 0.51 -0.36 -0.14 0.00 -1.23 0.00 0.00 61.79 60.57 3iwk h SER 244 Cb 0.61 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.30 3iwk h SER 244 CO -0.28 1.13 -0.24 0.11 -0.53 0.00 0.00 176.83 177.02 3iwk h LYS 245 N 0.78 0.99 -0.55 2.24 1.57 -0.36 -1.42 116.57 119.82 3iwk h LYS 245 Ca 0.10 -0.44 -0.07 0.00 -1.87 0.00 0.00 60.65 58.37 3iwk h LYS 245 Cb 0.80 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.07 3iwk h LYS 245 CO 0.07 1.11 0.06 0.82 -0.57 0.00 0.00 179.45 180.94 3iwk h ILE 246 N 0.85 1.26 -0.41 1.86 2.04 -0.26 -1.08 117.51 121.76 3iwk h ILE 246 Ca 0.10 -1.01 -0.09 0.00 1.00 0.00 0.00 64.86 64.86 3iwk h ILE 246 Cb 0.83 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.73 3iwk h ILE 246 CO 0.07 0.36 -0.13 -0.03 0.00 0.00 0.00 178.15 178.43 3iwk h MET 247 N 0.81 0.75 -0.53 2.37 4.05 -1.25 -0.80 114.93 120.34 3iwk h MET 247 Ca 0.16 -0.26 0.01 0.00 -0.28 0.00 0.00 59.70 59.34 3iwk h MET 247 Cb 0.45 -0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 31.16 3iwk h MET 247 CO 0.02 0.85 0.34 1.15 0.23 0.00 0.00 176.91 179.50 3iwk h THR 248 N 0.68 1.11 -0.47 -0.77 2.02 -0.97 -1.28 112.91 113.22 3iwk h THR 248 Ca 0.11 -0.24 -0.13 0.00 0.77 0.00 0.00 66.41 66.93 3iwk h THR 248 Cb 0.60 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 3iwk h THR 248 CO 0.04 0.13 -0.20 0.74 0.37 0.00 0.00 175.52 176.59 3iwk h THR 249 N 0.69 1.27 -0.36 3.16 2.02 -0.98 -3.08 112.91 115.64 3iwk h THR 249 Ca 0.20 -1.36 -0.05 0.00 0.77 0.00 0.00 66.41 65.97 3iwk h THR 249 Cb -0.05 1.14 -0.02 0.00 -1.74 0.00 0.00 68.15 67.49 3iwk h THR 249 CO -0.06 0.47 0.02 0.00 0.37 0.00 0.00 175.52 176.32 3iwk h ALA 250 N 0.86 1.37 -0.28 6.16 0.00 -0.92 -2.43 119.26 124.02 3iwk h ALA 250 Ca 0.11 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.87 3iwk h ALA 250 Cb 0.78 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3iwk h ALA 250 CO 0.06 0.44 0.19 0.00 0.00 0.00 0.00 179.25 179.95 3iwk h ALA 251 N 1.50 2.04 -0.95 0.00 0.00 -1.14 0.29 119.26 120.99 3iwk h ALA 251 Ca 0.12 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.13 3iwk h ALA 251 Cb 0.31 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 17.99 3iwk h ALA 251 CO 0.01 -0.09 0.61 1.96 0.00 0.00 0.00 179.25 181.74 3iwk h GLN 252 N 0.18 0.91 -0.07 0.00 1.08 -1.47 -2.47 115.11 113.27 3iwk h GLN 252 Ca 0.12 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.27 3iwk h GLN 252 Cb 0.26 -0.20 0.00 0.00 -0.05 0.00 0.00 27.48 27.49 3iwk h GLN 252 CO -0.02 0.60 0.00 1.28 -0.95 0.00 0.00 178.83 179.74 3iwk n LEU 253 N -4.57 2.26 -2.75 1.46 4.32 -1.00 -5.00 117.00 111.73 3iwk n LEU 253 Ca 0.17 -2.16 -0.20 0.00 -0.02 0.00 0.00 56.01 53.80 3iwk n LEU 253 Cb 0.34 -0.11 0.04 0.00 -1.62 0.00 0.00 43.42 42.07 3iwk n LEU 253 CO 0.29 0.57 0.04 0.52 -1.22 0.00 0.00 177.39 177.59 3iwk n VAL 254 N -0.44 -1.92 -2.85 4.08 0.31 0.81 -4.96 118.33 113.36 3iwk n VAL 254 Ca 0.05 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 63.97 3iwk n VAL 254 Cb 0.35 -3.27 -0.05 0.00 -0.91 0.00 0.00 33.84 29.96 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 -5.66 4.63 0.74 5.55 1.02 0.06 -4.98 119.74 121.10 3iwk s LYS 255 Ca 0.31 1.28 -0.13 0.00 0.02 0.00 0.00 55.97 57.46 3iwk s LYS 255 Cb -0.14 -3.35 0.04 0.00 -0.52 0.00 0.00 37.83 33.86 3iwk s LYS 255 CO 0.38 0.31 1.11 -1.25 -0.92 0.00 0.00 175.35 174.98 3iwk s PRO 256 N -0.26 2.37 -0.01 -1.68 0.04 -1.26 -4.64 135.00 129.57 3iwk s PRO 256 Ca 0.42 1.32 -0.07 0.00 0.04 0.00 0.00 61.00 62.71 3iwk s PRO 256 Cb -0.23 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.42 3iwk s PRO 256 CO 0.27 -1.58 0.15 0.08 0.04 0.00 0.00 177.00 175.97 3iwk s VAL 257 N -2.60 0.07 0.01 -0.36 1.01 -1.26 -2.30 120.40 114.97 3iwk s VAL 257 Ca 0.65 -0.58 0.04 0.00 0.00 0.00 0.00 61.98 62.09 3iwk s VAL 257 Cb -0.20 -0.41 -0.02 0.00 0.00 0.00 0.00 36.38 35.75 3iwk s VAL 257 CO 0.50 -0.32 -0.14 -0.94 0.00 0.00 0.00 175.10 174.20 3iwk s SER 258 N -1.17 1.61 -0.07 3.32 1.04 -0.62 -4.91 113.70 112.89 3iwk s SER 258 Ca -0.13 -0.34 -0.01 0.00 0.48 0.00 0.00 55.95 55.95 3iwk s SER 258 Cb -0.07 -0.14 0.03 0.00 0.10 0.00 0.00 66.02 65.94 3iwk s SER 258 CO 0.01 0.10 -0.01 -0.76 0.98 0.00 0.00 173.24 173.57 3iwk s LEU 259 N -0.69 0.73 -0.35 2.42 1.43 -0.78 -1.45 118.68 119.98 3iwk s LEU 259 Ca 0.04 -0.12 -0.05 0.00 -1.03 0.00 0.00 54.13 52.97 3iwk s LEU 259 Cb -0.06 -0.49 0.06 0.00 0.03 0.00 0.00 46.19 45.72 3iwk s LEU 259 CO 0.00 -0.17 0.11 -0.70 0.23 0.00 0.00 176.35 175.82 3iwk s GLU 260 N 1.84 2.47 0.24 1.70 2.12 -0.30 -2.23 118.70 124.55 3iwk s GLU 260 Ca 0.04 -1.34 0.02 0.00 0.36 0.00 0.00 54.97 54.05 3iwk s GLU 260 Cb -0.12 -3.45 0.02 0.00 0.26 0.00 0.00 34.13 30.84 3iwk s GLU 260 CO -0.05 -0.75 0.19 1.28 -0.54 0.00 0.00 175.26 175.39 3iwk n LEU 261 N 4.74 0.00 0.00 2.70 4.77 -0.59 -1.95 117.00 126.67 3iwk n LEU 261 Ca -0.11 -1.26 0.00 0.00 -0.03 0.00 0.00 56.01 54.61 3iwk n LEU 261 Cb 0.44 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 3iwk n LEU 261 CO 0.31 -0.41 0.00 0.61 -1.33 0.00 0.00 177.39 176.57 3iwk n GLY 262 N 2.04 -0.97 3.84 -0.72 0.00 -1.24 -4.88 105.19 103.25 3iwk n GLY 262 Ca -0.00 -1.35 -0.02 0.00 0.00 0.00 0.00 46.02 44.65 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 -0.30 -0.07 -0.41 -0.02 0.00 -1.17 -4.55 107.32 100.80 3iwk s GLY 263 Ca 0.00 -0.04 0.08 0.00 0.00 0.00 0.00 44.72 44.76 3iwk s GLY 263 CO 0.00 2.13 0.56 1.17 0.00 0.00 0.00 173.10 176.96 3iwk n LYS 264 N -0.66 0.88 -2.52 2.90 3.00 -1.26 -4.55 118.16 115.95 3iwk n LYS 264 Ca -0.03 -3.35 -0.40 0.00 -0.00 0.00 0.00 58.31 54.53 3iwk n LYS 264 Cb 0.60 -1.34 -0.04 0.00 0.00 0.00 0.00 35.03 34.25 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 -1.41 7.23 0.12 3.14 0.01 -1.17 -4.79 113.70 116.83 3iwk s SER 265 Ca 0.36 2.20 -0.05 0.00 1.31 0.00 0.00 55.95 59.76 3iwk s SER 265 Cb 0.19 -2.62 -0.06 0.00 0.21 0.00 0.00 66.02 63.74 3iwk s SER 265 CO -0.10 -0.16 0.37 -2.16 0.41 0.00 0.00 173.24 171.60 3iwk s PRO 266 N -1.59 3.63 -0.21 12.44 0.04 -1.26 -1.73 135.00 146.32 3iwk s PRO 266 Ca 0.46 -0.06 0.02 0.00 0.04 0.00 0.00 61.00 61.46 3iwk s PRO 266 Cb -0.30 -2.88 0.04 0.00 0.04 0.00 0.00 34.50 31.40 3iwk s PRO 266 CO 0.38 0.49 -0.16 -1.50 0.04 0.00 0.00 177.00 176.25 3iwk s ILE 267 N -1.60 2.07 -0.25 0.56 2.07 -0.01 -1.29 121.20 122.75 3iwk s ILE 267 Ca 0.39 -1.19 -0.12 0.00 -1.41 0.00 0.00 60.65 58.32 3iwk s ILE 267 Cb -0.12 -2.00 -0.05 0.00 0.13 0.00 0.00 42.46 40.42 3iwk s ILE 267 CO 0.23 0.32 0.24 -0.69 -1.91 0.00 0.00 174.94 173.14 3iwk s VAL 268 N 1.23 5.29 -0.25 4.00 1.01 0.23 -0.63 120.40 131.28 3iwk s VAL 268 Ca -0.00 0.32 0.01 0.00 0.00 0.00 0.00 61.98 62.31 3iwk s VAL 268 Cb -0.16 -3.58 0.05 0.00 0.00 0.00 0.00 36.38 32.69 3iwk s VAL 268 CO -0.10 0.26 -0.09 -0.69 0.00 0.00 0.00 175.10 174.48 3iwk s VAL 269 N 1.53 2.43 0.75 2.92 1.01 0.63 -0.48 120.40 129.20 3iwk s VAL 269 Ca 0.10 -1.38 -0.08 0.00 0.00 0.00 0.00 61.98 60.62 3iwk s VAL 269 Cb -0.15 -2.33 0.08 0.00 0.00 0.00 0.00 36.38 33.98 3iwk s VAL 269 CO 0.08 0.08 1.08 -0.36 0.00 0.00 0.00 175.10 175.98 3iwk s PHE 270 N 1.20 2.71 0.03 5.22 0.08 -0.58 -1.05 117.98 125.60 3iwk s PHE 270 Ca -0.05 0.45 0.18 0.00 0.12 0.00 0.00 56.93 57.64 3iwk s PHE 270 Cb -0.18 -3.35 0.45 0.00 -0.57 0.00 0.00 43.02 39.37 3iwk s PHE 270 CO -0.05 -1.63 1.62 1.05 -0.10 0.00 0.00 175.22 176.10 3iwk h GLU 271 N -0.80 0.00 -3.89 0.44 9.09 -1.91 -3.39 114.58 114.12 3iwk h GLU 271 Ca -0.44 0.00 -0.73 0.00 0.05 0.00 0.00 59.36 58.23 3iwk h GLU 271 Cb 1.31 0.00 -0.11 0.00 -1.65 0.00 0.00 28.75 28.30 3iwk h GLU 271 CO 0.58 0.42 2.39 -0.40 0.05 0.00 0.00 179.01 182.05 3iwk n ASP 272 N -3.39 4.65 -3.90 3.06 5.75 -1.26 -4.89 116.55 116.57 3iwk n ASP 272 Ca 0.01 -3.00 -0.10 0.00 -0.01 0.00 0.00 54.79 51.69 3iwk n ASP 272 Cb 0.60 -1.56 -0.09 0.00 -1.03 0.00 0.00 41.12 39.04 3iwk n ASP 272 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3iwk s VAL 273 N 1.67 0.13 -0.59 2.12 0.11 -1.26 -1.46 120.40 121.12 3iwk s VAL 273 Ca 0.43 -1.04 -0.24 0.00 -2.93 0.00 0.00 61.98 58.21 3iwk s VAL 273 Cb 0.10 -0.92 0.05 0.00 -1.53 0.00 0.00 36.38 34.08 3iwk s VAL 273 CO -0.03 -0.57 0.95 -0.62 -3.33 0.00 0.00 175.10 171.51 3iwk s ASP 274 N -2.14 6.28 0.24 3.54 -1.08 -1.26 -4.95 116.67 117.29 3iwk s ASP 274 Ca -0.05 -0.56 -0.06 0.00 -0.52 0.00 0.00 52.55 51.36 3iwk s ASP 274 Cb -0.01 -2.43 0.27 0.00 -1.46 0.00 0.00 42.92 39.29 3iwk s ASP 274 CO -0.05 -1.30 1.89 -0.07 0.52 0.00 0.00 175.17 176.16 3iwk h LEU 275 N 11.13 1.00 -0.65 -1.34 4.07 -1.98 -1.29 115.31 126.24 3iwk h LEU 275 Ca -0.27 -0.01 -0.14 0.00 0.08 0.00 0.00 57.88 57.54 3iwk h LEU 275 Cb 1.07 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 42.57 3iwk h LEU 275 CO 1.12 0.69 -0.43 0.44 -1.08 0.00 0.00 178.44 179.18 3iwk h ASP 276 N 1.16 0.59 -0.08 -0.43 3.32 -1.99 -0.38 116.42 118.61 3iwk h ASP 276 Ca 0.36 -0.27 -0.09 0.00 0.02 0.00 0.00 57.03 57.05 3iwk h ASP 276 Cb -0.02 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.36 3iwk h ASP 276 CO -0.11 0.95 -0.29 0.11 -1.72 0.00 0.00 179.24 178.17 3iwk h LYS 277 N 0.45 0.35 0.00 3.56 1.57 -1.87 -2.97 116.57 117.67 3iwk h LYS 277 Ca 0.03 -0.26 -0.08 0.00 -1.87 0.00 0.00 60.65 58.47 3iwk h LYS 277 Cb 0.94 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.29 3iwk h LYS 277 CO 0.08 0.89 -0.38 -0.39 -0.57 0.00 0.00 179.45 179.09 3iwk h VAL 278 N -0.12 0.86 -0.38 0.50 -1.51 -1.28 -2.83 116.25 111.49 3iwk h VAL 278 Ca -0.01 -1.56 0.06 0.00 -1.23 0.00 0.00 66.70 63.96 3iwk h VAL 278 Cb 0.93 1.96 -0.06 0.00 -2.13 0.00 0.00 31.29 31.99 3iwk h VAL 278 CO 0.06 0.37 0.04 0.00 -1.23 0.00 0.00 177.57 176.81 3iwk h ALA 279 N 1.62 0.39 -0.45 5.19 0.00 -1.08 0.21 119.26 125.14 3iwk h ALA 279 Ca -0.00 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3iwk h ALA 279 Cb 0.93 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 3iwk h ALA 279 CO 0.05 -0.36 0.25 1.49 0.00 0.00 0.00 179.25 180.68 3iwk h GLU 280 N 0.16 0.62 -0.54 0.00 4.81 -1.34 -1.12 114.58 117.16 3iwk h GLU 280 Ca 0.19 -0.07 0.02 0.00 -0.13 0.00 0.00 59.36 59.37 3iwk h GLU 280 Cb 0.24 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 3iwk h GLU 280 CO -0.28 0.48 0.33 -1.49 -0.73 0.00 0.00 179.01 177.33 3iwk h TRP 281 N 0.59 0.63 -0.52 0.92 -0.00 -1.21 0.23 115.95 116.59 3iwk h TRP 281 Ca 0.16 0.02 -0.11 0.00 -0.00 0.00 0.00 58.89 58.95 3iwk h TRP 281 Cb 0.04 -0.21 -0.02 0.00 -0.00 0.00 0.00 29.16 28.97 3iwk h TRP 281 CO -0.02 0.37 -0.11 1.79 -0.00 0.00 0.00 178.44 180.47 3iwk h THR 282 N 0.67 1.27 -0.65 1.49 1.35 -0.38 0.25 112.91 116.91 3iwk h THR 282 Ca 0.21 -1.27 -0.06 0.00 -0.55 0.00 0.00 66.41 64.74 3iwk h THR 282 Cb -0.02 1.00 -0.03 0.00 -1.73 0.00 0.00 68.15 67.38 3iwk h THR 282 CO -0.08 0.45 0.17 0.58 -0.25 0.00 0.00 175.52 176.39 3iwk h VAL 283 N 0.87 1.26 -0.08 6.82 2.07 -0.98 -2.78 116.25 123.43 3iwk h VAL 283 Ca 0.13 -0.92 0.00 0.00 0.82 0.00 0.00 66.70 66.73 3iwk h VAL 283 Cb 0.68 0.61 -0.00 0.00 -1.52 0.00 0.00 31.29 31.06 3iwk h VAL 283 CO 0.05 0.35 0.05 0.15 0.02 0.00 0.00 177.57 178.19 3iwk h PHE 284 N 0.96 0.09 -0.40 1.57 3.04 -0.29 -0.43 116.94 121.48 3iwk h PHE 284 Ca 0.21 0.00 0.12 0.00 3.98 0.00 0.00 57.97 62.27 3iwk h PHE 284 Cb 0.35 -0.03 -0.02 0.00 2.56 0.00 0.00 35.95 38.81 3iwk h PHE 284 CO 0.03 0.06 0.47 0.78 -2.02 0.00 0.00 178.31 177.63 3iwk h GLY 285 N 0.10 0.00 0.00 2.40 0.00 -0.24 -2.79 103.07 102.55 3iwk h GLY 285 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 3iwk h GLY 285 CO -0.01 0.00 -0.99 0.00 0.00 0.00 0.00 176.54 175.54 3iwk n PHE 287 N -1.78 0.00 -1.57 0.00 0.99 -0.19 -4.01 117.46 110.91 3iwk n PHE 287 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 57.45 57.05 3iwk n PHE 287 Cb 0.29 -0.54 0.03 0.00 -1.00 0.00 0.00 39.48 38.26 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 -2.27 0.57 -3.06 1.38 -0.00 -1.06 -1.12 117.46 111.90 3iwk n PHE 288 Ca -0.10 0.51 -0.22 0.00 -0.00 0.00 0.00 57.45 57.63 3iwk n PHE 288 Cb 0.64 -2.13 0.02 0.00 -0.00 0.00 0.00 39.48 38.01 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 -1.07 -1.72 -2.50 -2.13 -1.04 -1.26 -1.18 114.28 103.38 3iwk n THR 289 Ca 0.11 0.00 -0.17 0.00 -2.04 0.00 0.00 64.05 61.95 3iwk n THR 289 Cb 0.43 -3.06 -0.00 0.00 -1.82 0.00 0.00 70.33 65.88 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 -2.44 -4.83 0.00 8.00 3.02 -0.75 -0.94 115.26 117.31 3iwk n ASN 290 Ca -0.10 0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.51 3iwk n ASN 290 Cb 0.61 -4.04 0.00 0.00 -0.61 0.00 0.00 39.78 35.73 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 -0.95 0.79 2.59 7.41 0.00 -0.27 -2.94 105.19 111.82 3iwk n GLY 291 Ca -0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.22 4.80 -4.97 1.61 6.02 -0.12 -3.45 117.38 119.05 3iwk n GLN 292 Ca 0.00 -3.93 -0.32 0.00 -0.01 0.00 0.00 57.00 52.73 3iwk n GLN 292 Cb 0.01 -2.59 -0.15 0.00 1.02 0.00 0.00 30.24 28.52 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 -2.18 2.65 0.23 5.09 1.01 -1.26 -4.81 121.20 121.93 3iwk s ILE 293 Ca 0.47 -0.82 -0.06 0.00 0.00 0.00 0.00 60.65 60.24 3iwk s ILE 293 Cb 0.17 -2.06 0.19 0.00 0.01 0.00 0.00 42.46 40.77 3iwk s ILE 293 CO -0.09 0.55 1.79 0.00 0.00 0.00 0.00 174.94 177.19 3iwk n SER 295 N -4.81 3.65 -4.54 0.00 3.41 -1.26 -3.04 113.62 107.03 3iwk n SER 295 Ca 0.12 -2.23 -0.54 0.00 -0.26 0.00 0.00 58.87 55.96 3iwk n SER 295 Cb 0.27 -0.47 -0.06 0.00 -0.26 0.00 0.00 64.21 63.69 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 -2.08 -2.91 7.33 0.00 -0.92 -4.63 120.51 118.29 3iwk n ALA 296 Ca 0.20 0.53 -0.44 0.00 0.00 0.00 0.00 53.44 53.73 3iwk n ALA 296 Cb 0.65 -1.91 -0.01 0.00 0.00 0.00 0.00 19.45 18.19 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 0.02 4.88 -2.41 0.00 -4.23 -0.09 -3.05 115.64 110.77 3iwk s THR 297 Ca 0.82 -2.35 0.23 0.00 -1.18 0.00 0.00 61.69 59.21 3iwk s THR 297 Cb -1.04 -4.92 0.45 0.00 1.34 0.00 0.00 72.50 68.33 3iwk s THR 297 CO 0.53 -1.64 1.43 -1.54 -0.54 0.00 0.00 174.62 172.85 3iwk n SER 298 N 6.10 3.35 -3.92 3.99 3.41 -0.71 -4.25 113.62 121.61 3iwk n SER 298 Ca 0.35 -1.97 -0.30 0.00 -0.26 0.00 0.00 58.87 56.69 3iwk n SER 298 Cb 0.44 -0.27 -0.15 0.00 -0.26 0.00 0.00 64.21 63.97 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 -1.47 1.37 -0.08 4.33 0.52 -1.08 -1.45 118.95 121.09 3iwk s ARG 299 Ca 0.39 -1.29 -0.25 0.00 -0.52 0.00 0.00 55.73 54.06 3iwk s ARG 299 Cb 0.23 -2.64 -0.03 0.00 0.52 0.00 0.00 34.95 33.03 3iwk s ARG 299 CO 0.31 -0.80 0.79 -1.17 0.02 0.00 0.00 175.30 174.46 3iwk s LEU 300 N 1.29 4.29 -0.46 2.53 0.20 0.13 -0.83 118.68 125.84 3iwk s LEU 300 Ca 0.03 1.29 0.03 0.00 0.69 0.00 0.00 54.13 56.17 3iwk s LEU 300 Cb -0.19 -3.22 0.12 0.00 -0.43 0.00 0.00 46.19 42.48 3iwk s LEU 300 CO -0.11 -0.21 0.20 -0.63 -0.29 0.00 0.00 176.35 175.30 3iwk s ILE 301 N 1.16 2.24 -0.12 6.68 1.01 0.20 -0.29 121.20 132.09 3iwk s ILE 301 Ca 0.41 -2.88 -0.06 0.00 0.00 0.00 0.00 60.65 58.12 3iwk s ILE 301 Cb -0.18 -2.58 -0.04 0.00 0.01 0.00 0.00 42.46 39.67 3iwk s ILE 301 CO 0.19 -0.76 0.09 -0.69 0.00 0.00 0.00 174.94 173.77 3iwk s VAL 302 N 0.18 5.11 0.34 2.92 1.01 -0.37 -0.27 120.40 129.32 3iwk s VAL 302 Ca 0.15 0.06 -0.29 0.00 0.00 0.00 0.00 61.98 61.91 3iwk s VAL 302 Cb -0.24 -3.22 -0.12 0.00 0.00 0.00 0.00 36.38 32.81 3iwk s VAL 302 CO -0.03 0.60 1.49 1.57 0.00 0.00 0.00 175.10 178.73 3iwk n HIS 303 N 2.19 2.81 0.29 5.22 -0.00 -0.21 -1.50 115.22 124.01 3iwk n HIS 303 Ca -0.19 0.40 0.13 0.00 0.46 0.00 0.00 57.72 58.52 3iwk n HIS 303 Cb 0.54 -2.53 0.84 0.00 -0.12 0.00 0.00 29.99 28.72 3iwk n HIS 303 CO 0.00 0.00 0.00 1.05 0.46 0.00 0.00 176.34 177.85 3iwk h GLU 304 N 3.51 0.00 0.00 1.57 4.11 -1.52 -2.22 114.58 120.03 3iwk h GLU 304 Ca -0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.94 3iwk h GLU 304 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 3iwk h GLU 304 CO 0.69 0.00 0.00 0.66 0.07 0.00 0.00 179.01 180.43 3iwk h SER 305 N 0.00 0.00 0.00 3.06 4.64 -1.90 -3.19 113.55 116.15 3iwk h SER 305 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3iwk h SER 305 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 3iwk h SER 305 CO -0.00 0.00 0.00 2.30 -0.87 0.00 0.00 176.83 178.26 3iwk n ILE 306 N -2.90 0.00 -0.20 0.95 -5.35 -1.05 -4.89 119.36 105.92 3iwk n ILE 306 Ca 0.02 -0.39 -0.00 0.00 -0.27 0.00 0.00 62.75 62.10 3iwk n ILE 306 Cb 0.35 1.18 0.10 0.00 -1.74 0.00 0.00 39.64 39.53 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 0.00 0.75 -0.04 -1.28 0.00 -1.40 -0.34 119.26 116.94 3iwk h ALA 307 Ca 0.00 0.09 -0.25 0.00 0.00 0.00 0.00 54.91 54.75 3iwk h ALA 307 Cb 0.09 0.09 0.02 0.00 0.00 0.00 0.00 17.79 17.98 3iwk h ALA 307 CO 0.00 -0.23 -0.97 -0.24 0.00 0.00 0.00 179.25 177.81 3iwk h VAL 308 N 0.36 1.29 0.00 0.00 3.04 -1.89 -1.44 116.25 117.60 3iwk h VAL 308 Ca 0.30 -2.18 -0.14 0.00 -1.01 0.00 0.00 66.70 63.67 3iwk h VAL 308 Cb 0.39 2.27 -0.02 0.00 -2.01 0.00 0.00 31.29 31.92 3iwk h VAL 308 CO -0.33 0.68 -0.68 1.05 -1.01 0.00 0.00 177.57 177.29 3iwk h GLU 309 N 0.43 0.00 -0.21 4.17 4.11 -1.92 -1.75 114.58 119.41 3iwk h GLU 309 Ca -0.11 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.28 3iwk h GLU 309 Cb 1.61 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.85 3iwk h GLU 309 CO 0.19 0.68 -0.04 0.35 0.07 0.00 0.00 179.01 180.26 3iwk h PHE 310 N 0.00 0.44 -0.10 2.06 3.57 -1.04 -1.44 116.94 120.43 3iwk h PHE 310 Ca -0.01 -0.09 -0.09 0.00 3.53 0.00 0.00 57.97 61.31 3iwk h PHE 310 Cb 1.31 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.93 3iwk h PHE 310 CO 0.00 0.63 -0.34 0.28 -2.23 0.00 0.00 178.31 176.64 3iwk h VAL 311 N 0.13 1.27 -0.10 1.41 2.07 -1.29 -1.25 116.25 118.50 3iwk h VAL 311 Ca 0.05 -1.32 0.02 0.00 0.82 0.00 0.00 66.70 66.28 3iwk h VAL 311 Cb 0.47 1.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 3iwk h VAL 311 CO 0.02 0.39 -0.04 -0.78 0.02 0.00 0.00 177.57 177.18 3iwk h ASP 312 N 0.17 -0.15 -0.84 0.57 3.58 -1.20 -2.07 116.42 116.48 3iwk h ASP 312 Ca 0.02 0.04 0.02 0.00 0.42 0.00 0.00 57.03 57.53 3iwk h ASP 312 Cb 0.69 0.09 -0.05 0.00 1.72 0.00 0.00 39.33 41.78 3iwk h ASP 312 CO 0.05 -0.06 0.55 0.11 -2.88 0.00 0.00 179.24 177.01 3iwk h LYS 313 N -0.03 1.06 -0.38 0.28 1.57 -0.74 -2.34 116.57 115.98 3iwk h LYS 313 Ca 0.06 -0.06 0.08 0.00 -1.87 0.00 0.00 60.65 58.85 3iwk h LYS 313 Cb 0.12 -0.24 -0.08 0.00 0.08 0.00 0.00 32.23 32.11 3iwk h LYS 313 CO -0.12 0.70 -0.16 -0.07 -0.57 0.00 0.00 179.45 179.23 3iwk h LEU 314 N 1.09 -0.55 -0.17 2.94 4.07 -1.03 -0.66 115.31 121.01 3iwk h LEU 314 Ca 0.32 0.14 0.04 0.00 0.08 0.00 0.00 57.88 58.46 3iwk h LEU 314 Cb -0.05 0.31 -0.04 0.00 1.08 0.00 0.00 40.66 41.95 3iwk h LEU 314 CO -0.09 -0.19 -0.10 0.58 -1.08 0.00 0.00 178.44 177.55 3iwk h VAL 315 N -0.09 0.69 -0.02 1.22 2.07 -0.92 0.20 116.25 119.39 3iwk h VAL 315 Ca 0.19 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.74 3iwk h VAL 315 Cb 0.37 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 3iwk h VAL 315 CO -0.44 0.00 -0.22 0.11 0.02 0.00 0.00 177.57 177.04 3iwk h LYS 316 N -0.10 -0.33 -0.55 1.57 1.57 -1.02 0.26 116.57 117.97 3iwk h LYS 316 Ca 0.10 0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.95 3iwk h LYS 316 Cb 0.24 0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.58 3iwk h LYS 316 CO -0.23 -0.22 0.27 -1.49 -0.57 0.00 0.00 179.45 177.21 3iwk h TRP 317 N -0.34 0.49 -0.49 -1.35 4.06 -0.86 -1.54 115.95 115.92 3iwk h TRP 317 Ca 0.07 0.02 -0.03 0.00 2.06 0.00 0.00 58.89 61.01 3iwk h TRP 317 Cb 0.43 -0.14 -0.02 0.00 -1.00 0.00 0.00 29.16 28.43 3iwk h TRP 317 CO -0.27 0.23 0.21 0.00 -3.56 0.00 0.00 178.44 175.04 3iwk h ALA 318 N 1.31 0.63 0.00 1.49 0.00 0.04 -2.38 119.26 120.35 3iwk h ALA 318 Ca 0.25 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3iwk h ALA 318 Cb 0.17 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3iwk h ALA 318 CO -0.18 0.23 0.00 0.93 0.00 0.00 0.00 179.25 180.23 3iwk h GLU 319 N 0.65 0.00 -0.01 0.00 5.08 -0.26 -2.45 114.58 117.58 3iwk h GLU 319 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3iwk h GLU 319 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 3iwk h GLU 319 CO -0.02 0.00 -0.03 -1.71 -1.00 0.00 0.00 179.01 176.26 3iwk n ASN 320 N -2.78 1.14 -4.66 1.42 5.15 -0.60 -4.86 115.26 110.07 3iwk n ASN 320 Ca 0.02 -1.31 -0.43 0.00 -0.60 0.00 0.00 54.58 52.26 3iwk n ASN 320 Cb 0.31 0.01 -0.02 0.00 -0.53 0.00 0.00 39.78 39.55 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 -2.07 4.43 -0.20 -1.44 1.01 -0.93 -4.98 121.20 117.02 3iwk s ILE 321 Ca 0.38 1.72 -0.29 0.00 0.00 0.00 0.00 60.65 62.46 3iwk s ILE 321 Cb 0.21 -4.11 -0.02 0.00 0.01 0.00 0.00 42.46 38.54 3iwk s ILE 321 CO 0.36 -0.16 1.53 -0.75 0.00 0.00 0.00 174.94 175.93 3iwk s LYS 322 N 3.40 3.92 -0.18 2.79 2.36 -1.26 -4.89 119.74 125.87 3iwk s LYS 322 Ca 0.51 1.67 -0.06 0.00 -2.55 0.00 0.00 55.97 55.54 3iwk s LYS 322 Cb -0.19 -3.97 -0.04 0.00 -1.05 0.00 0.00 37.83 32.58 3iwk s LYS 322 CO 0.12 -1.14 0.03 0.42 1.55 0.00 0.00 175.35 176.33 3iwk s ILE 323 N 4.71 4.46 0.10 5.43 1.01 -1.26 -1.18 121.20 134.47 3iwk s ILE 323 Ca 0.67 -0.15 -0.25 0.00 0.00 0.00 0.00 60.65 60.93 3iwk s ILE 323 Cb -0.24 -3.00 0.08 0.00 0.01 0.00 0.00 42.46 39.31 3iwk s ILE 323 CO 0.26 0.46 1.14 -0.94 0.00 0.00 0.00 174.94 175.86 3iwk s SER 324 N 0.50 -0.00 0.19 3.58 1.04 -0.96 -5.00 113.70 113.05 3iwk s SER 324 Ca 0.01 -0.48 -0.33 0.00 0.48 0.00 0.00 55.95 55.64 3iwk s SER 324 Cb -0.13 0.36 -0.14 0.00 0.10 0.00 0.00 66.02 66.21 3iwk s SER 324 CO 0.01 -0.71 1.50 -0.67 0.98 0.00 0.00 173.24 174.36 3iwk n ASP 325 N -1.12 2.89 0.28 7.02 2.03 -1.26 -4.30 116.55 122.09 3iwk n ASP 325 Ca -0.01 1.11 0.19 0.00 0.52 0.00 0.00 54.79 56.60 3iwk n ASP 325 Cb 0.59 -1.42 0.93 0.00 -0.72 0.00 0.00 41.12 40.51 3iwk n ASP 325 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 3iwk h PRO 326 N 5.16 0.00 0.00 -0.67 0.13 -1.87 -0.73 132.00 134.03 3iwk h PRO 326 Ca -0.45 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.65 3iwk h PRO 326 Cb 1.27 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 3iwk h PRO 326 CO 0.83 0.00 -0.16 -0.07 -0.23 0.00 0.00 178.00 178.37 3iwk h LEU 327 N 0.00 0.00 -9.85 1.56 3.38 -1.89 -0.87 115.31 107.64 3iwk h LEU 327 Ca 0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 3iwk h LEU 327 Cb 0.18 0.00 0.06 0.00 0.09 0.00 0.00 40.66 40.99 3iwk h LEU 327 CO 0.00 0.16 0.67 -0.70 0.09 0.00 0.00 178.44 178.66 3iwk s GLU 328 N -3.23 4.32 0.25 1.13 2.12 -0.28 -4.93 118.70 118.08 3iwk s GLU 328 Ca 0.05 2.25 -0.31 0.00 0.36 0.00 0.00 54.97 57.32 3iwk s GLU 328 Cb 0.07 -3.08 -0.12 0.00 0.26 0.00 0.00 34.13 31.25 3iwk s GLU 328 CO 0.67 -0.26 1.62 -1.91 -0.54 0.00 0.00 175.26 174.84 3iwk n GLU 329 N 1.19 2.60 -0.88 4.30 2.13 -1.26 -2.28 120.64 126.42 3iwk n GLU 329 Ca 0.02 0.93 0.00 0.00 0.66 0.00 0.00 57.16 58.77 3iwk n GLU 329 Cb 0.41 -2.72 0.00 0.00 0.27 0.00 0.00 31.44 29.41 3iwk n GLU 329 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3iwk n GLY 330 N 2.88 0.75 3.69 8.31 0.00 -1.26 -5.01 105.19 114.55 3iwk n GLY 330 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 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 5.75 0.73 -3.53 0.00 5.12 -0.33 -4.77 116.66 119.63 3iwk n ARG 332 Ca 0.18 -0.52 -0.05 0.00 -1.93 0.00 0.00 57.85 55.54 3iwk n ARG 332 Cb 0.37 -0.96 -0.07 0.00 -1.16 0.00 0.00 32.46 30.64 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 -0.58 -0.89 0.00 0.55 2.96 -0.69 -4.87 118.68 115.16 3iwk s LEU 333 Ca 0.02 1.00 0.00 0.00 -0.22 0.00 0.00 54.13 54.94 3iwk s LEU 333 Cb 0.02 1.69 0.00 0.00 0.50 0.00 0.00 46.19 48.39 3iwk s LEU 333 CO 0.04 -0.24 0.00 0.61 -1.32 0.00 0.00 176.35 175.44 3iwk n GLY 334 N 5.41 1.32 3.89 7.98 0.00 -1.26 -2.27 105.19 120.25 3iwk n GLY 334 Ca -0.08 -1.99 -0.29 0.00 0.00 0.00 0.00 46.02 43.66 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 0.20 3.67 0.61 1.61 0.04 -1.24 -4.78 135.00 135.12 3iwk s PRO 335 Ca 0.00 0.34 -0.20 0.00 0.04 0.00 0.00 61.00 61.18 3iwk s PRO 335 Cb 0.00 -2.40 -0.03 0.00 0.04 0.00 0.00 34.50 32.12 3iwk s PRO 335 CO 0.00 -0.10 1.31 -0.89 0.04 0.00 0.00 177.00 177.37 3iwk n ILE 336 N -1.69 4.48 -0.34 0.56 2.08 0.55 -4.70 119.36 120.31 3iwk n ILE 336 Ca 0.01 -0.50 0.03 0.00 0.56 0.00 0.00 62.75 62.85 3iwk n ILE 336 Cb 0.54 -1.56 0.18 0.00 -0.75 0.00 0.00 39.64 38.05 3iwk n ILE 336 CO 0.00 0.00 0.00 1.62 0.56 0.00 0.00 176.55 178.73 3iwk h VAL 337 N 0.90 1.01 -4.18 1.39 3.04 -1.88 -3.43 116.25 113.09 3iwk h VAL 337 Ca -0.51 -0.34 -0.25 0.00 -1.01 0.00 0.00 66.70 64.59 3iwk h VAL 337 Cb 1.33 -0.09 -0.10 0.00 -2.01 0.00 0.00 31.29 30.42 3iwk h VAL 337 CO 0.55 0.18 -0.27 -0.94 -1.01 0.00 0.00 177.57 176.08 3iwk s SER 338 N -5.76 0.69 0.11 3.17 1.04 -1.26 -4.55 113.70 107.13 3iwk s SER 338 Ca -0.12 -1.39 -0.17 0.00 0.48 0.00 0.00 55.95 54.74 3iwk s SER 338 Cb 0.20 0.60 -0.05 0.00 0.10 0.00 0.00 66.02 66.87 3iwk s SER 338 CO 0.80 -1.18 1.58 -0.08 0.98 0.00 0.00 173.24 175.35 3iwk h GLU 339 N 2.22 0.52 -0.85 4.02 4.81 -1.98 -0.89 114.58 122.43 3iwk h GLU 339 Ca -0.29 -0.14 -0.03 0.00 -0.13 0.00 0.00 59.36 58.77 3iwk h GLU 339 Cb 1.24 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.52 3iwk h GLU 339 CO 0.40 0.61 0.41 0.00 -0.73 0.00 0.00 179.01 179.70 3iwk h ALA 340 N 0.89 1.12 -0.28 2.92 0.00 -1.99 -0.20 119.26 121.72 3iwk h ALA 340 Ca 0.10 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 3iwk h ALA 340 Cb 0.34 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 3iwk h ALA 340 CO 0.01 0.67 -0.14 1.96 0.00 0.00 0.00 179.25 181.74 3iwk h GLN 341 N 1.21 0.59 -0.54 0.00 1.08 -1.96 -1.60 115.11 113.90 3iwk h GLN 341 Ca 0.29 -0.26 0.11 0.00 -1.45 0.00 0.00 58.65 57.34 3iwk h GLN 341 Cb 0.12 -0.02 -0.09 0.00 -0.05 0.00 0.00 27.48 27.44 3iwk h GLN 341 CO -0.04 0.83 -0.00 -0.92 -0.95 0.00 0.00 178.83 177.75 3iwk h TYR 342 N 0.33 -0.04 -0.52 2.96 3.20 -0.74 -0.70 116.97 121.46 3iwk h TYR 342 Ca 0.06 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.97 3iwk h TYR 342 Cb 0.66 0.10 -0.03 0.00 1.54 0.00 0.00 36.73 39.01 3iwk h TYR 342 CO 0.06 -0.13 0.31 0.87 -1.64 0.00 0.00 178.16 177.63 3iwk h LYS 343 N 0.11 0.71 -0.71 1.82 1.57 -0.85 -1.59 116.57 117.63 3iwk h LYS 343 Ca 0.27 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.96 3iwk h LYS 343 Cb 0.42 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.55 3iwk h LYS 343 CO -0.46 0.52 0.34 0.87 -0.57 0.00 0.00 179.45 180.15 3iwk h LYS 344 N 0.70 1.01 -0.22 3.15 1.79 -0.74 0.43 116.57 122.70 3iwk h LYS 344 Ca 0.19 -0.14 -0.09 0.00 -2.18 0.00 0.00 60.65 58.43 3iwk h LYS 344 Cb -0.01 -0.19 -0.00 0.00 -1.58 0.00 0.00 32.23 30.45 3iwk h LYS 344 CO -0.03 0.78 -0.21 0.28 -1.08 0.00 0.00 179.45 179.19 3iwk h VAL 345 N 1.01 1.32 -0.70 0.50 2.07 -0.88 -1.68 116.25 117.89 3iwk h VAL 345 Ca 0.25 -1.37 -0.07 0.00 0.82 0.00 0.00 66.70 66.33 3iwk h VAL 345 Cb 0.10 1.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 3iwk h VAL 345 CO -0.03 0.42 0.17 -0.07 0.02 0.00 0.00 177.57 178.07 3iwk h LEU 346 N 0.22 1.06 -0.60 2.57 3.38 -1.14 -2.71 115.31 118.08 3iwk h LEU 346 Ca 0.04 -0.23 0.03 0.00 0.09 0.00 0.00 57.88 57.81 3iwk h LEU 346 Cb 0.75 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 3iwk h LEU 346 CO 0.05 1.02 0.37 0.78 0.09 0.00 0.00 178.44 180.75 3iwk h ASN 347 N 1.06 0.61 -0.62 -0.43 2.35 -0.77 0.72 115.58 118.51 3iwk h ASN 347 Ca 0.22 0.00 0.04 0.00 -0.55 0.00 0.00 56.30 56.01 3iwk h ASN 347 Cb 0.37 -0.13 -0.05 0.00 0.05 0.00 0.00 38.32 38.57 3iwk h ASN 347 CO 0.00 0.43 0.35 0.00 -1.65 0.00 0.00 177.43 176.56 3iwk h ILE 349 N 0.68 1.21 -0.74 0.00 2.04 -1.15 -1.15 117.51 118.40 3iwk h ILE 349 Ca 0.26 -0.68 -0.06 0.00 1.00 0.00 0.00 64.86 65.39 3iwk h ILE 349 Cb 0.10 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 3iwk h ILE 349 CO -0.14 0.23 0.23 -1.28 0.00 0.00 0.00 178.15 177.19 3iwk h SER 350 N 0.32 1.08 0.04 1.72 0.87 -0.47 -2.57 113.55 114.54 3iwk h SER 350 Ca 0.09 -0.21 -0.15 0.00 -1.23 0.00 0.00 61.79 60.30 3iwk h SER 350 Cb 0.26 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.93 3iwk h SER 350 CO -0.00 1.00 -0.49 0.28 -0.53 0.00 0.00 176.83 177.08 3iwk h SER 351 N 1.10 0.56 -0.59 6.23 0.02 -0.33 -2.07 113.55 118.46 3iwk h SER 351 Ca 0.24 -0.28 0.05 0.00 -0.84 0.00 0.00 61.79 60.97 3iwk h SER 351 Cb 0.30 -0.16 -0.05 0.00 0.14 0.00 0.00 62.40 62.64 3iwk h SER 351 CO -0.01 0.96 0.31 0.00 -1.14 0.00 0.00 176.83 176.95 3iwk h ALA 352 N 1.06 0.77 -0.59 3.77 0.00 -0.94 0.17 119.26 123.50 3iwk h ALA 352 Ca 0.02 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 3iwk h ALA 352 Cb 1.01 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 3iwk h ALA 352 CO 0.09 -0.03 0.15 -0.22 0.00 0.00 0.00 179.25 179.24 3iwk h LYS 353 N 0.58 0.94 -0.88 0.00 3.64 -1.27 -1.06 116.57 118.53 3iwk h LYS 353 Ca 0.26 -0.22 0.01 0.00 -1.27 0.00 0.00 60.65 59.43 3iwk h LYS 353 Cb 0.17 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 31.82 3iwk h LYS 353 CO -0.18 0.86 0.58 0.77 -2.27 0.00 0.00 179.45 179.22 3iwk h SER 354 N 0.85 1.00 0.00 4.20 0.02 -0.97 -2.05 113.55 116.60 3iwk h SER 354 Ca 0.19 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 3iwk h SER 354 Cb 0.34 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.63 3iwk h SER 354 CO 0.00 0.72 0.00 -0.62 -1.14 0.00 0.00 176.83 175.79 3iwk n GLU 355 N -4.41 0.91 -0.36 3.45 1.02 0.01 -4.87 120.64 116.40 3iwk n GLU 355 Ca 0.10 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 3iwk n GLU 355 Cb 0.03 -1.28 0.00 0.00 -0.02 0.00 0.00 31.44 30.17 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 0.63 0.82 3.89 0.62 0.00 -0.77 -5.04 105.19 105.35 3iwk n GLY 356 Ca 0.12 0.00 -0.29 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 -2.01 3.09 -0.24 4.61 0.00 -0.44 -4.98 121.76 121.79 3iwk s ALA 357 Ca 0.00 -0.39 -0.09 0.00 0.00 0.00 0.00 51.96 51.48 3iwk s ALA 357 Cb 0.00 -2.89 -0.04 0.00 0.00 0.00 0.00 23.12 20.18 3iwk s ALA 357 CO 0.00 -0.88 0.12 0.99 0.00 0.00 0.00 175.76 175.99 3iwk s THR 358 N -3.17 4.94 -0.70 0.00 2.01 0.14 -4.43 115.64 114.42 3iwk s THR 358 Ca 0.55 0.04 -0.25 0.00 0.31 0.00 0.00 61.69 62.34 3iwk s THR 358 Cb -0.11 -3.30 0.05 0.00 0.01 0.00 0.00 72.50 69.15 3iwk s THR 358 CO 0.50 0.34 1.15 -0.63 -0.69 0.00 0.00 174.62 175.29 3iwk s ILE 359 N 1.23 3.98 0.11 1.82 -1.09 -1.26 -0.02 121.20 125.96 3iwk s ILE 359 Ca 0.06 0.09 -0.15 0.00 -2.23 0.00 0.00 60.65 58.42 3iwk s ILE 359 Cb -0.14 -4.82 -0.06 0.00 -1.58 0.00 0.00 42.46 35.86 3iwk s ILE 359 CO 0.05 -1.68 1.48 -0.07 -1.23 0.00 0.00 174.94 173.48 3iwk h LEU 360 N 12.31 0.74 -7.68 2.97 3.38 -1.63 -3.47 115.31 121.93 3iwk h LEU 360 Ca -0.28 -0.41 -0.09 0.00 0.09 0.00 0.00 57.88 57.18 3iwk h LEU 360 Cb 1.06 -0.20 -0.16 0.00 0.09 0.00 0.00 40.66 41.44 3iwk h LEU 360 CO 1.24 0.99 -0.32 0.28 0.09 0.00 0.00 178.44 180.71 3iwk s THR 361 N -4.60 0.11 0.00 0.22 -1.32 -1.24 -5.01 115.64 103.80 3iwk s THR 361 Ca -0.13 -0.88 0.00 0.00 -1.21 0.00 0.00 61.69 59.47 3iwk s THR 361 Cb 0.09 -1.05 0.00 0.00 -1.51 0.00 0.00 72.50 70.03 3iwk s THR 361 CO 0.82 -0.49 0.00 0.61 -2.21 0.00 0.00 174.62 173.35 3iwk n GLY 362 N 0.39 1.89 1.68 6.08 0.00 -1.25 -3.12 105.19 110.86 3iwk n GLY 362 Ca -0.18 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.25 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 0.52 3.65 -0.02 0.00 -1.25 -4.98 105.19 103.11 3iwk n GLY 363 Ca 0.00 -0.50 -0.09 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.98 1.58 0.29 1.61 1.70 -1.26 -4.99 118.95 116.90 3iwk s ARG 364 Ca 0.00 -1.10 -0.30 0.00 -0.47 0.00 0.00 55.73 53.86 3iwk s ARG 364 Cb 0.00 0.52 -0.11 0.00 -0.57 0.00 0.00 34.95 34.79 3iwk s ARG 364 CO 0.00 -0.68 1.52 0.50 -1.08 0.00 0.00 175.30 175.56 3iwk s ARG 365 N -3.96 4.18 0.51 3.89 3.52 -1.26 -1.08 118.95 124.74 3iwk s ARG 365 Ca 0.16 2.47 -0.22 0.00 -0.13 0.00 0.00 55.73 58.01 3iwk s ARG 365 Cb -0.02 -3.05 -0.06 0.00 -1.56 0.00 0.00 34.95 30.26 3iwk s ARG 365 CO 0.06 -0.53 1.25 -2.14 -0.81 0.00 0.00 175.30 173.13 3iwk s PRO 366 N -0.69 3.44 0.25 5.12 0.02 -1.26 -4.88 135.00 137.00 3iwk s PRO 366 Ca 0.60 1.98 -0.05 0.00 0.02 0.00 0.00 61.00 63.56 3iwk s PRO 366 Cb -0.45 -2.31 0.33 0.00 0.02 0.00 0.00 34.50 32.08 3iwk s PRO 366 CO 0.48 -0.87 1.88 0.93 -0.33 0.00 0.00 177.00 179.09 3iwk h GLU 367 N 1.72 1.11 -0.02 5.54 4.39 -2.01 -3.07 114.58 122.25 3iwk h GLU 367 Ca -0.50 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.13 3iwk h GLU 367 Cb 1.27 -0.25 0.00 0.00 -0.10 0.00 0.00 28.75 29.67 3iwk h GLU 367 CO 0.59 0.74 0.00 -2.39 -1.16 0.00 0.00 179.01 176.78 3iwk n HIS 368 N -4.51 0.02 -3.84 4.33 1.44 -1.26 -4.58 115.22 106.81 3iwk n HIS 368 Ca 0.13 -0.01 -0.29 0.00 -2.01 0.00 0.00 57.72 55.54 3iwk n HIS 368 Cb 0.13 0.00 -0.16 0.00 0.12 0.00 0.00 29.99 30.08 3iwk n HIS 368 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 3iwk s LEU 369 N -1.82 1.90 -0.04 2.39 1.43 -1.16 -5.01 118.68 116.37 3iwk s LEU 369 Ca 0.39 -1.00 0.09 0.00 -1.03 0.00 0.00 54.13 52.58 3iwk s LEU 369 Cb 0.18 -0.90 -0.23 0.00 0.03 0.00 0.00 46.19 45.27 3iwk s LEU 369 CO 0.30 -0.27 0.66 0.50 0.23 0.00 0.00 176.35 177.78 3iwk h LYS 370 N 8.09 0.04 -6.10 1.70 1.63 -1.83 -3.42 116.57 116.69 3iwk h LYS 370 Ca -0.17 -0.07 -0.56 0.00 -0.85 0.00 0.00 60.65 59.00 3iwk h LYS 370 Cb 1.09 0.03 -0.09 0.00 -0.60 0.00 0.00 32.23 32.66 3iwk h LYS 370 CO 0.38 0.63 -0.58 0.15 -3.45 0.00 0.00 179.45 176.58 3iwk s LYS 371 N -2.60 2.29 0.00 1.90 -0.14 -1.26 -5.08 119.74 114.84 3iwk s LYS 371 Ca -0.07 -1.57 0.00 0.00 -1.36 0.00 0.00 55.97 52.97 3iwk s LYS 371 Cb 0.08 -2.11 0.00 0.00 -1.68 0.00 0.00 37.83 34.12 3iwk s LYS 371 CO 0.82 0.17 0.00 0.41 -0.76 0.00 0.00 175.35 175.99 3iwk n GLY 372 N -1.05 0.57 2.67 -3.33 0.00 -1.24 -4.75 105.19 98.06 3iwk n GLY 372 Ca -0.04 -1.87 -0.41 0.00 0.00 0.00 0.00 46.02 43.70 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 0.89 2.66 -3.78 1.61 0.53 0.08 -4.98 117.16 114.17 3iwk n TYR 373 Ca 0.00 -2.63 -0.36 0.00 -1.02 0.00 0.00 57.90 53.89 3iwk n TYR 373 Cb 0.00 -1.38 -0.07 0.00 -1.03 0.00 0.00 39.34 36.86 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 -3.23 3.51 -0.02 -0.72 0.40 -1.26 -0.33 117.98 116.33 3iwk s PHE 374 Ca 0.41 0.45 0.02 0.00 -0.60 0.00 0.00 56.93 57.21 3iwk s PHE 374 Cb 0.16 -2.07 0.00 0.00 0.51 0.00 0.00 43.02 41.62 3iwk s PHE 374 CO -0.08 0.50 -0.07 0.54 0.70 0.00 0.00 175.22 176.80 3iwk s VAL 375 N -0.29 0.61 0.55 -0.44 0.11 -1.26 -4.16 120.40 115.50 3iwk s VAL 375 Ca 0.12 -0.28 -0.21 0.00 -2.93 0.00 0.00 61.98 58.68 3iwk s VAL 375 Cb -0.12 -0.54 -0.05 0.00 -1.53 0.00 0.00 36.38 34.14 3iwk s VAL 375 CO 0.01 0.19 1.27 -1.61 -3.33 0.00 0.00 175.10 171.63 3iwk s GLU 376 N 0.15 3.20 0.21 1.54 2.02 -0.24 -4.93 118.70 120.65 3iwk s GLU 376 Ca -0.02 2.00 -0.32 0.00 0.02 0.00 0.00 54.97 56.65 3iwk s GLU 376 Cb -0.07 -2.17 -0.13 0.00 0.10 0.00 0.00 34.13 31.86 3iwk s GLU 376 CO -0.00 -1.07 1.57 -2.30 0.02 0.00 0.00 175.26 173.48 3iwk n PRO 377 N -1.11 2.31 -4.94 0.39 -0.02 -1.26 -3.96 135.00 126.42 3iwk n PRO 377 Ca 0.11 0.83 -0.31 0.00 -2.02 0.00 0.00 63.50 62.11 3iwk n PRO 377 Cb 0.47 -2.59 -0.17 0.00 -0.02 0.00 0.00 33.50 31.19 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 0.61 1.88 -0.14 3.45 2.01 -0.03 -3.74 115.64 119.67 3iwk s THR 378 Ca 0.74 -0.90 0.02 0.00 0.31 0.00 0.00 61.69 61.85 3iwk s THR 378 Cb -0.62 -1.65 0.01 0.00 0.01 0.00 0.00 72.50 70.26 3iwk s THR 378 CO 0.41 0.52 -0.21 -0.51 -0.69 0.00 0.00 174.62 174.14 3iwk s ILE 379 N 0.55 1.97 -0.21 1.82 -1.16 -1.18 -0.25 121.20 122.75 3iwk s ILE 379 Ca -0.14 -0.92 -0.05 0.00 -0.51 0.00 0.00 60.65 59.03 3iwk s ILE 379 Cb -0.17 -1.76 -0.02 0.00 0.61 0.00 0.00 42.46 41.12 3iwk s ILE 379 CO 0.05 0.53 -0.00 -0.63 -2.81 0.00 0.00 174.94 172.08 3iwk s ILE 380 N 0.94 3.91 0.32 2.00 1.01 0.13 -1.46 121.20 128.05 3iwk s ILE 380 Ca -0.05 -0.33 0.01 0.00 0.00 0.00 0.00 60.65 60.29 3iwk s ILE 380 Cb -0.15 -2.77 0.01 0.00 0.01 0.00 0.00 42.46 39.56 3iwk s ILE 380 CO -0.04 0.42 0.08 1.07 0.00 0.00 0.00 174.94 176.47 3iwk n THR 381 N 4.34 0.00 -3.88 2.92 5.66 0.97 -1.44 114.28 122.85 3iwk n THR 381 Ca -0.17 -1.42 -0.28 0.00 -3.05 0.00 0.00 64.05 59.12 3iwk n THR 381 Cb 0.52 0.13 0.02 0.00 -1.55 0.00 0.00 70.33 69.45 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 -1.41 -3.59 -4.84 1.09 10.43 -1.26 -0.69 116.55 116.27 3iwk n ASP 382 Ca -0.09 -0.81 -0.35 0.00 2.57 0.00 0.00 54.79 56.10 3iwk n ASP 382 Cb 0.39 -3.82 -0.06 0.00 1.84 0.00 0.00 41.12 39.47 3iwk n ASP 382 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3iwk s VAL 383 N -3.43 4.82 0.06 2.53 1.01 -1.25 -4.46 120.40 119.68 3iwk s VAL 383 Ca 0.47 0.87 0.08 0.00 0.00 0.00 0.00 61.98 63.40 3iwk s VAL 383 Cb -0.24 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.37 3iwk s VAL 383 CO 0.83 0.22 -0.21 -0.89 0.00 0.00 0.00 175.10 175.06 3iwk s THR 384 N -1.49 1.72 0.48 3.92 2.01 -1.26 -4.89 115.64 116.12 3iwk s THR 384 Ca 0.39 -1.29 0.25 0.00 0.31 0.00 0.00 61.69 61.35 3iwk s THR 384 Cb -0.15 -1.51 0.44 0.00 0.01 0.00 0.00 72.50 71.29 3iwk s THR 384 CO 0.19 0.16 1.86 0.74 -0.69 0.00 0.00 174.62 176.88 3iwk h THR 385 N 4.28 0.58 -0.01 -0.82 2.02 -1.99 -0.30 112.91 116.67 3iwk h THR 385 Ca -0.44 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 66.68 3iwk h THR 385 Cb 1.16 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 67.94 3iwk h THR 385 CO 0.43 0.04 -0.04 -1.54 0.37 0.00 0.00 175.52 174.78 3iwk n SER 386 N -4.40 0.99 -4.82 4.18 3.41 -1.26 -4.73 113.62 106.99 3iwk n SER 386 Ca 0.20 -1.22 -0.33 0.00 -0.26 0.00 0.00 58.87 57.27 3iwk n SER 386 Cb 0.87 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.79 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 -2.10 3.88 0.23 4.33 1.00 -0.12 -4.99 119.30 121.51 3iwk s MET 387 Ca 0.38 1.13 -0.08 0.00 0.00 0.00 0.00 55.69 57.12 3iwk s MET 387 Cb 0.21 -2.12 0.20 0.00 0.00 0.00 0.00 34.83 33.12 3iwk s MET 387 CO 0.38 -0.34 1.87 0.37 0.00 0.00 0.00 175.02 177.30 3iwk h GLN 388 N 1.23 1.17 0.00 2.03 4.15 -1.90 -2.74 115.11 119.04 3iwk h GLN 388 Ca -0.48 -0.10 -0.03 0.00 0.77 0.00 0.00 58.65 58.81 3iwk h GLN 388 Cb 1.20 -0.25 -0.00 0.00 0.21 0.00 0.00 27.48 28.64 3iwk h GLN 388 CO 0.60 0.82 -0.14 -0.84 -1.93 0.00 0.00 178.83 177.33 3iwk h ILE 389 N 1.19 0.75 -0.01 2.39 -0.00 -1.88 0.13 117.51 120.08 3iwk h ILE 389 Ca 0.31 -0.57 -0.18 0.00 -0.00 0.00 0.00 64.86 64.42 3iwk h ILE 389 Cb -0.06 1.34 -0.01 0.00 -0.00 0.00 0.00 36.82 38.09 3iwk h ILE 389 CO -0.06 0.14 -0.81 -0.25 -0.00 0.00 0.00 178.15 177.17 3iwk h TRP 390 N 0.00 0.24 0.00 0.16 2.91 -1.77 -3.39 115.95 114.10 3iwk h TRP 390 Ca -0.00 -0.12 -0.21 0.00 1.13 0.00 0.00 58.89 59.69 3iwk h TRP 390 Cb 0.33 -0.03 -0.03 0.00 -0.51 0.00 0.00 29.16 28.92 3iwk h TRP 390 CO 0.00 0.90 -1.25 -2.13 -1.03 0.00 0.00 178.44 174.94 3iwk n ARG 391 N -3.69 0.54 -3.55 2.65 0.63 -0.66 -4.97 116.66 107.61 3iwk n ARG 391 Ca -0.03 0.53 -0.37 0.00 -0.92 0.00 0.00 57.85 57.06 3iwk n ARG 391 Cb 0.76 -1.70 -0.06 0.00 0.45 0.00 0.00 32.46 31.91 3iwk n ARG 391 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 3iwk s GLU 392 N -2.37 3.84 0.03 -0.14 2.02 0.35 -4.92 118.70 117.51 3iwk s GLU 392 Ca -0.27 0.31 -0.30 0.00 0.02 0.00 0.00 54.97 54.72 3iwk s GLU 392 Cb 0.06 -3.16 -0.07 0.00 0.10 0.00 0.00 34.13 31.06 3iwk s GLU 392 CO 0.51 0.67 1.57 -2.00 0.02 0.00 0.00 175.26 176.03 3iwk s GLU 393 N -1.27 4.22 -0.09 1.61 2.12 -1.26 -4.77 118.70 119.26 3iwk s GLU 393 Ca 0.25 2.19 -0.15 0.00 0.36 0.00 0.00 54.97 57.62 3iwk s GLU 393 Cb -0.16 -3.65 -0.28 0.00 0.26 0.00 0.00 34.13 30.30 3iwk s GLU 393 CO 0.14 -0.70 0.61 0.28 -0.54 0.00 0.00 175.26 175.05 3iwk h VAL 394 N 4.97 1.06 -5.63 3.70 2.07 -1.92 -3.49 116.25 117.01 3iwk h VAL 394 Ca -0.40 -2.44 -0.37 0.00 0.82 0.00 0.00 66.70 64.30 3iwk h VAL 394 Cb 1.19 2.77 0.14 0.00 -1.52 0.00 0.00 31.29 33.87 3iwk h VAL 394 CO 0.93 0.74 -0.66 0.33 0.02 0.00 0.00 177.57 178.92 3iwk n PHE 395 N -3.88 -2.69 -4.13 1.57 7.35 -1.26 -4.66 117.46 109.77 3iwk n PHE 395 Ca -0.24 0.97 -0.15 0.00 -0.76 0.00 0.00 57.45 57.27 3iwk n PHE 395 Cb 0.93 -4.89 -0.06 0.00 0.35 0.00 0.00 39.48 35.81 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 -3.44 1.53 -1.26 7.13 0.00 -1.22 -4.44 107.32 105.61 3iwk s GLY 396 Ca 0.49 -1.57 -0.15 0.00 0.00 0.00 0.00 44.72 43.49 3iwk s GLY 396 CO 0.70 -1.09 2.23 -1.55 0.00 0.00 0.00 173.10 173.39 3iwk n PRO 397 N -0.52 2.54 -3.91 2.90 -0.04 -1.15 -4.50 135.00 130.32 3iwk n PRO 397 Ca 0.02 -2.27 -0.28 0.00 -0.04 0.00 0.00 63.50 60.92 3iwk n PRO 397 Cb 0.62 -3.08 -0.16 0.00 -0.04 0.00 0.00 33.50 30.84 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 3.57 1.19 -0.20 0.52 1.01 -1.26 -0.85 120.40 124.39 3iwk s VAL 398 Ca 0.52 -0.65 -0.08 0.00 0.00 0.00 0.00 61.98 61.77 3iwk s VAL 398 Cb 0.14 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 3iwk s VAL 398 CO -0.03 0.17 0.07 -0.22 0.00 0.00 0.00 175.10 175.10 3iwk s LEU 399 N 1.60 3.81 -0.07 3.92 2.96 0.66 -4.86 118.68 126.70 3iwk s LEU 399 Ca 0.01 0.05 -0.09 0.00 -0.22 0.00 0.00 54.13 53.88 3iwk s LEU 399 Cb -0.15 -1.98 -0.05 0.00 0.50 0.00 0.00 46.19 44.52 3iwk s LEU 399 CO -0.08 0.14 0.24 0.00 -1.32 0.00 0.00 176.35 175.33 3iwk s ALA 400 N 0.60 3.82 -0.08 5.97 0.00 -0.53 0.21 121.76 131.74 3iwk s ALA 400 Ca 0.04 -0.50 0.02 0.00 0.00 0.00 0.00 51.96 51.52 3iwk s ALA 400 Cb -0.13 -2.11 0.01 0.00 0.00 0.00 0.00 23.12 20.89 3iwk s ALA 400 CO 0.01 0.58 -0.15 0.08 0.00 0.00 0.00 175.76 176.29 3iwk s VAL 401 N -1.08 1.35 0.23 0.00 1.01 -0.52 0.20 120.40 121.59 3iwk s VAL 401 Ca 0.19 -0.59 0.02 0.00 0.00 0.00 0.00 61.98 61.60 3iwk s VAL 401 Cb -0.14 -1.22 -0.05 0.00 0.00 0.00 0.00 36.38 34.98 3iwk s VAL 401 CO 0.08 0.40 0.06 -0.54 0.00 0.00 0.00 175.10 175.11 3iwk s LYS 402 N 0.70 1.31 0.20 2.72 1.02 0.61 -3.94 119.74 122.36 3iwk s LYS 402 Ca -0.13 -1.68 0.10 0.00 0.02 0.00 0.00 55.97 54.28 3iwk s LYS 402 Cb -0.16 -0.31 -0.04 0.00 -0.52 0.00 0.00 37.83 36.80 3iwk s LYS 402 CO 0.03 -0.22 -0.21 0.99 -0.92 0.00 0.00 175.35 175.02 3iwk s THR 403 N -3.69 2.17 0.07 2.17 2.01 -1.26 -1.24 115.64 115.88 3iwk s THR 403 Ca 0.33 -2.05 -0.08 0.00 0.31 0.00 0.00 61.69 60.19 3iwk s THR 403 Cb 0.07 -2.05 -0.00 0.00 0.01 0.00 0.00 72.50 70.53 3iwk s THR 403 CO 0.10 -0.24 0.18 0.72 -0.69 0.00 0.00 174.62 174.69 3iwk s PHE 404 N -1.97 0.14 -0.13 4.92 -0.12 -0.56 -4.86 117.98 115.40 3iwk s PHE 404 Ca 0.20 -0.52 -0.12 0.00 -0.05 0.00 0.00 56.93 56.44 3iwk s PHE 404 Cb -0.06 -0.07 -0.04 0.00 -0.63 0.00 0.00 43.02 42.21 3iwk s PHE 404 CO 0.09 -0.50 -0.24 0.43 -0.05 0.00 0.00 175.22 174.95 3iwk n SER 405 N 0.16 1.49 -4.91 1.98 7.64 -1.26 -1.26 113.62 117.47 3iwk n SER 405 Ca -0.16 0.32 -0.23 0.00 1.01 0.00 0.00 58.87 59.81 3iwk n SER 405 Cb 0.61 -0.71 -0.03 0.00 -1.01 0.00 0.00 64.21 63.07 3iwk n SER 405 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3iwk s THR 406 N -2.37 4.98 0.20 0.44 -4.23 -1.26 -4.90 115.64 108.51 3iwk s THR 406 Ca -0.20 -1.01 -0.10 0.00 -1.18 0.00 0.00 61.69 59.20 3iwk s THR 406 Cb 0.03 -3.64 0.13 0.00 1.34 0.00 0.00 72.50 70.35 3iwk s THR 406 CO 0.30 -0.24 1.77 -0.08 -0.54 0.00 0.00 174.62 175.84 3iwk h GLU 407 N 1.69 0.50 -0.95 3.99 4.81 -1.99 -1.73 114.58 120.89 3iwk h GLU 407 Ca -0.50 -0.03 0.10 0.00 -0.13 0.00 0.00 59.36 58.81 3iwk h GLU 407 Cb 1.22 -0.11 -0.07 0.00 0.63 0.00 0.00 28.75 30.41 3iwk h GLU 407 CO 0.63 0.33 0.61 1.49 -0.73 0.00 0.00 179.01 181.34 3iwk h GLU 408 N 0.51 0.93 -0.22 1.92 4.81 -2.00 -1.50 114.58 119.05 3iwk h GLU 408 Ca 0.29 -0.06 -0.11 0.00 -0.13 0.00 0.00 59.36 59.35 3iwk h GLU 408 Cb 0.27 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.43 3iwk h GLU 408 CO -0.23 0.62 -0.30 1.49 -0.73 0.00 0.00 179.01 179.86 3iwk h GLU 409 N 0.96 0.59 -0.37 1.92 4.81 -1.78 -2.02 114.58 118.69 3iwk h GLU 409 Ca 0.45 -0.34 0.05 0.00 -0.13 0.00 0.00 59.36 59.39 3iwk h GLU 409 Cb 0.42 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.78 3iwk h GLU 409 CO -0.21 0.94 0.09 0.00 -0.73 0.00 0.00 179.01 179.10 3iwk h ALA 410 N 0.63 0.41 0.22 2.92 0.00 -0.85 -0.11 119.26 122.48 3iwk h ALA 410 Ca 0.02 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3iwk h ALA 410 Cb 0.88 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3iwk h ALA 410 CO 0.07 -0.31 -0.15 0.82 0.00 0.00 0.00 179.25 179.68 3iwk h ILE 411 N 0.22 0.67 -0.78 0.00 2.04 -1.24 0.81 117.51 119.24 3iwk h ILE 411 Ca 0.18 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.09 3iwk h ILE 411 Cb 0.19 0.67 -0.06 0.00 -0.74 0.00 0.00 36.82 36.88 3iwk h ILE 411 CO -0.21 0.00 0.47 0.78 0.00 0.00 0.00 178.15 179.19 3iwk h ASN 412 N -0.37 0.74 -0.62 1.72 2.35 -1.26 -0.51 115.58 117.62 3iwk h ASN 412 Ca -0.02 0.02 -0.09 0.00 -0.55 0.00 0.00 56.30 55.66 3iwk h ASN 412 Cb 0.32 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.53 3iwk h ASN 412 CO 0.00 0.48 0.04 -0.07 -1.65 0.00 0.00 177.43 176.23 3iwk h LEU 413 N 0.87 1.04 -0.92 1.61 3.38 -0.84 -2.57 115.31 117.89 3iwk h LEU 413 Ca 0.34 -0.29 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 3iwk h LEU 413 Cb 0.14 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3iwk h LEU 413 CO -0.16 1.07 -0.02 0.00 0.09 0.00 0.00 178.44 179.42 3iwk h ALA 414 N 1.01 1.10 -0.23 1.53 0.00 -0.19 -2.63 119.26 119.84 3iwk h ALA 414 Ca 0.18 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3iwk h ALA 414 Cb 0.52 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3iwk h ALA 414 CO 0.02 0.57 0.00 0.09 0.00 0.00 0.00 179.25 179.93 3iwk n ASN 415 N -4.21 1.87 -3.78 0.00 3.02 -0.26 -4.64 115.26 107.26 3iwk n ASN 415 Ca 0.02 -1.80 -0.42 0.00 -0.03 0.00 0.00 54.58 52.35 3iwk n ASN 415 Cb 0.31 -0.15 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 0.47 4.69 -3.57 6.41 2.03 -0.98 -4.79 116.55 120.81 3iwk n ASP 416 Ca 0.15 -2.98 -0.13 0.00 0.52 0.00 0.00 54.79 52.36 3iwk n ASP 416 Cb 0.34 -1.56 -0.06 0.00 -0.72 0.00 0.00 41.12 39.13 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 1.65 0.00 -0.86 5.18 -1.32 -1.26 -4.99 115.64 114.04 3iwk s THR 417 Ca 0.44 0.00 0.27 0.00 -1.21 0.00 0.00 61.69 61.19 3iwk s THR 417 Cb 0.12 -1.00 0.18 0.00 -1.51 0.00 0.00 72.50 70.29 3iwk s THR 417 CO -0.04 0.00 1.68 1.41 -2.21 0.00 0.00 174.62 175.46 3iwk n HIS 418 N 1.15 0.36 -1.80 9.09 8.25 -1.26 -4.87 115.22 126.14 3iwk n HIS 418 Ca -0.14 0.10 -0.30 0.00 -0.26 0.00 0.00 57.72 57.13 3iwk n HIS 418 Cb 0.57 -0.61 0.17 0.00 1.12 0.00 0.00 29.99 31.25 3iwk n HIS 418 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3iwk s TYR 419 N -3.06 1.77 -0.29 4.41 1.51 -1.26 -1.38 117.35 119.06 3iwk s TYR 419 Ca 0.11 0.45 0.03 0.00 -1.01 0.00 0.00 57.07 56.65 3iwk s TYR 419 Cb 0.16 -3.88 0.13 0.00 -0.11 0.00 0.00 41.96 38.25 3iwk s TYR 419 CO 0.61 -2.62 1.06 0.41 -1.11 0.00 0.00 175.55 173.91 3iwk n GLY 420 N -3.25 -0.27 0.00 0.71 0.00 -1.20 -4.73 105.19 96.46 3iwk n GLY 420 Ca 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.53 1.29 -4.94 0.99 7.94 -1.26 -1.21 117.00 119.28 3iwk n LEU 421 Ca -0.19 0.05 -0.23 0.00 -1.11 0.00 0.00 56.01 54.52 3iwk n LEU 421 Cb 0.67 -0.10 0.01 0.00 0.53 0.00 0.00 43.42 44.54 3iwk n LEU 421 CO -0.10 -0.10 0.13 -0.83 -1.11 0.00 0.00 177.39 175.39 3iwk s GLY 422 N -1.28 2.14 -0.23 -3.96 0.00 -1.26 -1.33 107.32 101.40 3iwk s GLY 422 Ca 0.00 -1.62 -0.30 0.00 0.00 0.00 0.00 44.72 42.80 3iwk s GLY 422 CO 0.00 -1.83 1.21 -1.35 0.00 0.00 0.00 173.10 171.13 3iwk s SER 423 N -4.38 -0.17 -0.03 1.64 1.04 -0.26 -4.22 113.70 107.32 3iwk s SER 423 Ca 0.45 0.16 -0.04 0.00 0.48 0.00 0.00 55.95 56.99 3iwk s SER 423 Cb -0.03 0.14 0.01 0.00 0.10 0.00 0.00 66.02 66.24 3iwk s SER 423 CO 0.28 -0.18 0.11 0.00 0.98 0.00 0.00 173.24 174.43 3iwk s ALA 424 N -1.28 -0.27 -0.10 5.32 0.00 -0.41 0.27 121.76 125.29 3iwk s ALA 424 Ca 0.05 0.21 0.04 0.00 0.00 0.00 0.00 51.96 52.26 3iwk s ALA 424 Cb -0.01 -0.13 0.00 0.00 0.00 0.00 0.00 23.12 22.98 3iwk s ALA 424 CO -0.04 -0.08 -0.22 0.08 0.00 0.00 0.00 175.76 175.49 3iwk s VAL 425 N -0.22 1.96 -0.29 0.00 1.01 -0.41 -0.60 120.40 121.86 3iwk s VAL 425 Ca -0.03 -0.96 -0.01 0.00 0.00 0.00 0.00 61.98 60.99 3iwk s VAL 425 Cb -0.02 -1.70 0.05 0.00 0.00 0.00 0.00 36.38 34.71 3iwk s VAL 425 CO 0.00 0.54 -0.03 -0.04 0.00 0.00 0.00 175.10 175.57 3iwk s MET 426 N 0.44 2.40 -0.24 2.72 -1.94 0.36 -0.41 119.30 122.62 3iwk s MET 426 Ca -0.17 -1.28 -0.26 0.00 -1.71 0.00 0.00 55.69 52.27 3iwk s MET 426 Cb -0.17 -3.10 0.08 0.00 2.01 0.00 0.00 34.83 33.64 3iwk s MET 426 CO 0.07 -0.60 0.75 0.45 -0.01 0.00 0.00 175.02 175.69 3iwk s SER 427 N 1.22 -0.70 0.27 3.03 0.15 -1.26 -1.52 113.70 114.88 3iwk s SER 427 Ca -0.06 1.27 0.13 0.00 0.70 0.00 0.00 55.95 57.99 3iwk s SER 427 Cb -0.20 1.26 0.26 0.00 -1.71 0.00 0.00 66.02 65.64 3iwk s SER 427 CO -0.02 -0.29 1.54 0.78 1.20 0.00 0.00 173.24 176.45 3iwk h ASN 428 N 4.61 0.00 -2.45 5.45 2.35 -1.65 -3.41 115.58 120.47 3iwk h ASN 428 Ca -0.28 0.00 -0.54 0.00 -0.55 0.00 0.00 56.30 54.92 3iwk h ASN 428 Cb 1.16 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.49 3iwk h ASN 428 CO 0.10 0.62 1.28 -0.62 -1.65 0.00 0.00 177.43 177.17 3iwk s ASP 429 N -6.64 5.69 0.41 5.81 -1.08 -1.26 -4.87 116.67 114.73 3iwk s ASP 429 Ca 0.00 0.79 0.23 0.00 -0.52 0.00 0.00 52.55 53.05 3iwk s ASP 429 Cb 0.11 -2.53 0.66 0.00 -1.46 0.00 0.00 42.92 39.69 3iwk s ASP 429 CO 0.75 -1.96 1.71 -0.07 0.52 0.00 0.00 175.17 176.12 3iwk h LEU 430 N 14.66 0.00 -0.60 -1.34 3.38 -2.00 -2.51 115.31 126.90 3iwk h LEU 430 Ca -0.29 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.56 3iwk h LEU 430 Cb 1.16 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.89 3iwk h LEU 430 CO 1.12 0.22 -0.12 -0.33 0.09 0.00 0.00 178.44 179.42 3iwk h GLU 431 N 0.00 0.98 -0.26 1.13 5.08 -1.97 -2.22 114.58 117.33 3iwk h GLU 431 Ca -0.00 -0.37 -0.12 0.00 -1.00 0.00 0.00 59.36 57.87 3iwk h GLU 431 Cb 0.92 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.10 3iwk h GLU 431 CO 0.03 1.04 -0.34 -0.09 -1.00 0.00 0.00 179.01 178.65 3iwk h ARG 432 N 0.87 0.56 -0.51 2.33 2.43 -1.94 -2.40 114.38 115.72 3iwk h ARG 432 Ca 0.13 -0.26 -0.04 0.00 -0.81 0.00 0.00 59.98 59.01 3iwk h ARG 432 Cb 0.68 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.20 3iwk h ARG 432 CO 0.05 0.83 0.18 0.00 -1.51 0.00 0.00 179.97 179.52 3iwk h GLU 434 N 0.69 1.10 -0.39 0.00 4.81 -1.32 -0.95 114.58 118.52 3iwk h GLU 434 Ca 0.17 -0.25 0.06 0.00 -0.13 0.00 0.00 59.36 59.20 3iwk h GLU 434 Cb 0.24 -0.15 -0.05 0.00 0.63 0.00 0.00 28.75 29.42 3iwk h GLU 434 CO -0.01 0.96 0.10 0.00 -0.73 0.00 0.00 179.01 179.33 3iwk h ARG 435 N 1.04 0.23 -0.08 1.92 3.08 -1.26 -2.54 114.38 116.78 3iwk h ARG 435 Ca 0.22 -0.01 -0.16 0.00 0.07 0.00 0.00 59.98 60.09 3iwk h ARG 435 Cb 0.35 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 3iwk h ARG 435 CO -0.00 0.15 -0.66 -0.07 -1.07 0.00 0.00 179.97 178.32 3iwk h LEU 436 N 0.23 0.37 -1.69 3.04 4.07 -1.06 -2.52 115.31 117.76 3iwk h LEU 436 Ca 0.19 -0.23 -0.03 0.00 0.08 0.00 0.00 57.88 57.88 3iwk h LEU 436 Cb 0.20 -0.11 -0.00 0.00 1.08 0.00 0.00 40.66 41.83 3iwk h LEU 436 CO -0.23 0.93 -0.16 0.77 -1.08 0.00 0.00 178.44 178.68 3iwk h SER 437 N 0.23 0.00 -0.10 -0.43 4.64 -1.00 0.20 113.55 117.09 3iwk h SER 437 Ca -0.02 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.22 3iwk h SER 437 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3iwk h SER 437 CO 0.11 0.16 -0.26 0.11 -0.87 0.00 0.00 176.83 176.08 3iwk h LYS 438 N 0.00 0.35 0.00 4.77 1.57 -1.33 -3.35 116.57 118.58 3iwk h LYS 438 Ca -0.00 -0.24 -0.07 0.00 -1.87 0.00 0.00 60.65 58.47 3iwk h LYS 438 Cb 0.28 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 3iwk h LYS 438 CO 0.02 0.86 -0.32 0.00 -0.57 0.00 0.00 179.45 179.44 3iwk h ALA 439 N 0.50 0.82 -2.16 3.86 0.00 -0.88 -3.45 119.26 117.95 3iwk h ALA 439 Ca -0.00 -0.29 -0.56 0.00 0.00 0.00 0.00 54.91 54.06 3iwk h ALA 439 Cb 0.87 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 3iwk h ALA 439 CO 0.06 0.40 1.02 -0.51 0.00 0.00 0.00 179.25 180.21 3iwk s LEU 440 N -6.45 4.17 -1.26 0.00 1.43 0.63 -4.92 118.68 112.28 3iwk s LEU 440 Ca 0.04 1.86 -0.18 0.00 -1.03 0.00 0.00 54.13 54.83 3iwk s LEU 440 Cb 0.07 -3.54 0.09 0.00 0.03 0.00 0.00 46.19 42.84 3iwk s LEU 440 CO 0.70 -0.92 1.66 -1.10 0.23 0.00 0.00 176.35 176.92 3iwk s GLN 441 N 3.94 3.97 0.09 1.70 -0.21 -1.26 -4.88 119.66 123.01 3iwk s GLN 441 Ca 0.65 -2.03 -0.21 0.00 0.02 0.00 0.00 55.36 53.79 3iwk s GLN 441 Cb -0.26 -5.44 0.05 0.00 1.00 0.00 0.00 33.01 28.36 3iwk s GLN 441 CO 0.23 -2.17 0.50 0.00 -2.12 0.00 0.00 175.29 171.74 3iwk s ALA 442 N 3.82 -1.28 0.10 6.09 0.00 -1.26 -4.56 121.76 124.67 3iwk s ALA 442 Ca 0.51 0.41 0.25 0.00 0.00 0.00 0.00 51.96 53.13 3iwk s ALA 442 Cb 0.02 0.56 0.91 0.00 0.00 0.00 0.00 23.12 24.62 3iwk s ALA 442 CO 0.05 -0.59 1.82 0.78 0.00 0.00 0.00 175.76 177.82 3iwk h GLY 443 N 2.52 0.00 -6.39 0.00 0.00 -0.71 -3.44 103.07 95.05 3iwk h GLY 443 Ca -0.32 0.00 -0.40 0.00 0.00 0.00 0.00 47.33 46.61 3iwk h GLY 443 CO 0.42 0.00 -0.77 -0.42 0.00 0.00 0.00 176.54 175.77 3iwk s ILE 444 N -3.61 0.42 -0.15 2.60 1.01 -0.44 -4.75 121.20 116.28 3iwk s ILE 444 Ca 0.01 -0.03 0.01 0.00 0.00 0.00 0.00 60.65 60.64 3iwk s ILE 444 Cb 0.10 -0.48 0.00 0.00 0.01 0.00 0.00 42.46 42.09 3iwk s ILE 444 CO 0.63 0.21 -0.17 -0.69 0.00 0.00 0.00 174.94 174.92 3iwk s VAL 445 N 1.10 2.45 -0.13 2.92 1.01 -1.26 -1.10 120.40 125.40 3iwk s VAL 445 Ca -0.08 -0.84 -0.07 0.00 0.00 0.00 0.00 61.98 60.98 3iwk s VAL 445 Cb -0.14 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.18 3iwk s VAL 445 CO -0.01 0.52 0.14 0.26 0.00 0.00 0.00 175.10 176.01 3iwk s TRP 446 N 0.87 3.57 -0.20 5.22 0.51 0.14 -4.98 118.94 124.08 3iwk s TRP 446 Ca -0.05 0.50 -0.02 0.00 -2.12 0.00 0.00 56.10 54.42 3iwk s TRP 446 Cb -0.15 -1.96 0.00 0.00 -0.81 0.00 0.00 33.47 30.56 3iwk s TRP 446 CO -0.02 0.70 -0.12 0.42 -0.51 0.00 0.00 176.95 177.42 3iwk s ILE 447 N -0.91 2.76 -1.81 2.03 1.01 -1.26 -1.29 121.20 121.74 3iwk s ILE 447 Ca 0.14 -0.70 0.00 0.00 0.00 0.00 0.00 60.65 60.09 3iwk s ILE 447 Cb -0.12 -2.22 0.00 0.00 0.01 0.00 0.00 42.46 40.13 3iwk s ILE 447 CO 0.03 0.48 0.00 0.59 0.00 0.00 0.00 174.94 176.04 3iwk n ASN 448 N 4.70 -5.27 -2.94 3.58 3.02 0.45 -4.93 115.26 113.87 3iwk n ASN 448 Ca -0.19 0.24 -0.11 0.00 -0.03 0.00 0.00 54.58 54.48 3iwk n ASN 448 Cb 0.50 -4.53 0.01 0.00 -0.61 0.00 0.00 39.78 35.15 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 -2.41 -1.22 0.00 0.00 0.00 -1.26 -4.70 121.76 112.17 3iwk s ALA 450 Ca 0.20 1.69 0.00 0.00 0.00 0.00 0.00 51.96 53.86 3iwk s ALA 450 Cb -0.04 -1.07 0.00 0.00 0.00 0.00 0.00 23.12 22.01 3iwk s ALA 450 CO 0.15 -0.35 0.00 1.04 0.00 0.00 0.00 175.76 176.60 3iwk n GLN 451 N 4.41 0.00 -1.73 0.00 1.13 -1.26 -4.53 117.38 115.40 3iwk n GLN 451 Ca -0.21 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.43 3iwk n GLN 451 Cb 0.55 0.00 -0.02 0.00 0.11 0.00 0.00 30.24 30.88 3iwk n GLN 451 CO 0.00 0.00 0.00 -2.30 -1.44 0.00 0.00 177.06 173.32 3iwk n PRO 452 N -1.68 2.63 -3.96 -1.09 -0.02 -1.26 -4.96 135.00 124.66 3iwk n PRO 452 Ca 0.00 0.94 -0.30 0.00 -2.02 0.00 0.00 63.50 62.11 3iwk n PRO 452 Cb 0.00 -2.72 -0.14 0.00 -0.02 0.00 0.00 33.50 30.61 3iwk n PRO 452 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3iwk s SER 453 N 0.60 4.48 0.12 2.55 1.04 -1.26 -5.10 113.70 116.13 3iwk s SER 453 Ca 0.67 -2.52 -0.30 0.00 0.48 0.00 0.00 55.95 54.28 3iwk s SER 453 Cb -0.52 -1.56 -0.06 0.00 0.10 0.00 0.00 66.02 63.98 3iwk s SER 453 CO 0.46 -0.31 0.97 -0.36 0.98 0.00 0.00 173.24 174.97 3iwk s PHE 454 N 0.40 3.80 0.54 5.02 0.40 -1.26 -4.95 117.98 121.93 3iwk s PHE 454 Ca 0.14 1.79 0.25 0.00 -0.60 0.00 0.00 56.93 58.50 3iwk s PHE 454 Cb -0.22 -3.07 1.41 0.00 0.51 0.00 0.00 43.02 41.65 3iwk s PHE 454 CO -0.05 0.15 2.02 0.82 0.70 0.00 0.00 175.22 178.87 3iwk h ILE 455 N 3.99 0.73 -0.00 0.64 5.03 -1.98 -2.14 117.51 123.76 3iwk h ILE 455 Ca -0.43 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.31 3iwk h ILE 455 Cb 1.21 0.77 0.00 0.00 -3.03 0.00 0.00 36.82 35.77 3iwk h ILE 455 CO 0.72 0.00 -0.25 0.00 -0.68 0.00 0.00 178.15 177.94 3iwk n GLN 456 N -4.31 0.53 -4.49 2.37 0.00 -1.26 -0.18 117.38 110.03 3iwk n GLN 456 Ca 0.07 -0.26 -0.34 0.00 0.00 0.00 0.00 57.00 56.48 3iwk n GLN 456 Cb 0.52 -1.49 -0.12 0.00 0.00 0.00 0.00 30.24 29.15 3iwk n GLN 456 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3iwk s ALA 457 N -2.65 3.00 0.30 2.61 0.00 -0.81 -4.17 121.76 120.05 3iwk s ALA 457 Ca 0.22 -0.84 -0.30 0.00 0.00 0.00 0.00 51.96 51.04 3iwk s ALA 457 Cb 0.19 -1.43 -0.12 0.00 0.00 0.00 0.00 23.12 21.76 3iwk s ALA 457 CO 0.55 0.36 1.59 -0.35 0.00 0.00 0.00 175.76 177.91 3iwk n PRO 458 N 3.00 2.70 -4.26 0.00 -0.04 -1.26 -4.22 135.00 130.92 3iwk n PRO 458 Ca -0.18 0.96 -0.27 0.00 -0.04 0.00 0.00 63.50 63.97 3iwk n PRO 458 Cb 0.53 -2.74 -0.17 0.00 -0.04 0.00 0.00 33.50 31.08 3iwk n PRO 458 CO 0.00 0.00 0.00 -0.46 -0.04 0.00 0.00 175.50 175.00 3iwk s TRP 459 N -0.12 1.71 0.00 0.54 -0.11 0.17 -4.95 118.94 116.17 3iwk s TRP 459 Ca 0.63 -0.80 0.00 0.00 1.22 0.00 0.00 56.10 57.15 3iwk s TRP 459 Cb -0.49 -1.29 0.00 0.00 -1.50 0.00 0.00 33.47 30.18 3iwk s TRP 459 CO 0.50 -0.46 0.00 0.41 -4.62 0.00 0.00 176.95 172.78 3iwk n GLY 460 N 4.41 0.25 3.81 5.86 0.00 -1.26 0.22 105.19 118.48 3iwk n GLY 460 Ca -0.18 -1.08 -0.26 0.00 0.00 0.00 0.00 46.02 44.50 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 2.46 0.43 -0.02 0.00 -1.26 -3.93 107.32 105.01 3iwk s GLY 461 Ca 0.00 -1.48 0.03 0.00 0.00 0.00 0.00 44.72 43.27 3iwk s GLY 461 CO 0.00 -1.96 0.05 -0.26 0.00 0.00 0.00 173.10 170.93 3iwk s ILE 462 N -2.71 1.15 0.00 0.90 -4.36 -0.35 -4.11 121.20 111.72 3iwk s ILE 462 Ca 0.33 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.72 3iwk s ILE 462 Cb 0.01 -2.47 0.00 0.00 1.25 0.00 0.00 42.46 41.25 3iwk s ILE 462 CO 0.19 0.00 0.00 0.29 0.24 0.00 0.00 174.94 175.66 3iwk n LYS 463 N -1.01 0.00 0.00 0.37 5.02 -1.26 -2.02 118.16 119.26 3iwk n LYS 463 Ca -0.10 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.25 3iwk n LYS 463 Cb 0.66 0.00 0.35 0.00 -0.02 0.00 0.00 35.03 36.02 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 12.20 0.27 0.00 1.97 5.12 -0.48 -1.83 116.66 133.91 3iwk n ARG 464 Ca 0.00 0.10 0.15 0.00 -1.93 0.00 0.00 57.85 56.17 3iwk n ARG 464 Cb 0.00 -1.50 0.75 0.00 -1.16 0.00 0.00 32.46 30.55 3iwk n ARG 464 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 3iwk n SER 465 N -1.18 0.11 0.00 0.55 7.64 -0.86 -4.73 113.62 115.15 3iwk n SER 465 Ca 0.07 -0.34 0.00 0.00 1.01 0.00 0.00 58.87 59.62 3iwk n SER 465 Cb 0.08 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.08 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 1.25 -1.09 3.59 0.23 0.00 -0.76 -1.54 105.19 106.86 3iwk n GLY 466 Ca 0.15 -2.06 -0.09 0.00 0.00 0.00 0.00 46.02 44.03 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 -0.08 0.00 1.61 -0.71 -0.95 -3.75 117.98 114.11 3iwk s PHE 467 Ca 0.00 -0.28 0.00 0.00 -1.04 0.00 0.00 56.93 55.61 3iwk s PHE 467 Cb 0.00 0.42 0.00 0.00 -1.21 0.00 0.00 43.02 42.23 3iwk s PHE 467 CO 0.00 -0.98 0.00 0.41 -1.34 0.00 0.00 175.22 173.31 3iwk n GLY 468 N -0.37 -1.02 2.96 1.99 0.00 -1.26 -1.88 105.19 105.61 3iwk n GLY 468 Ca -0.08 -1.60 -0.21 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 -2.96 0.99 0.36 1.61 1.81 -1.26 -4.30 118.95 115.20 3iwk s ARG 469 Ca 0.00 -0.23 0.07 0.00 -1.72 0.00 0.00 55.73 53.85 3iwk s ARG 469 Cb 0.00 -0.92 -0.01 0.00 -0.45 0.00 0.00 34.95 33.57 3iwk s ARG 469 CO 0.00 0.02 0.47 -1.21 -0.68 0.00 0.00 175.30 173.90 3iwk s GLU 470 N 0.55 2.98 0.28 3.54 2.02 0.13 -3.75 118.70 124.45 3iwk s GLU 470 Ca -0.08 -1.12 0.00 0.00 0.02 0.00 0.00 54.97 53.78 3iwk s GLU 470 Cb -0.12 -2.75 0.00 0.00 0.10 0.00 0.00 34.13 31.36 3iwk s GLU 470 CO 0.01 -0.03 0.00 1.28 0.02 0.00 0.00 175.26 176.54 3iwk n LEU 471 N -1.66 -0.49 0.00 1.80 4.77 -1.26 0.42 117.00 120.58 3iwk n LEU 471 Ca 0.02 1.13 0.00 0.00 -0.03 0.00 0.00 56.01 57.13 3iwk n LEU 471 Cb 0.59 -2.02 0.00 0.00 -2.33 0.00 0.00 43.42 39.65 3iwk n LEU 471 CO 0.41 -1.34 0.00 0.61 -1.33 0.00 0.00 177.39 175.74 3iwk n GLY 472 N -3.33 0.93 0.22 -0.72 0.00 0.74 -0.48 105.19 102.55 3iwk n GLY 472 Ca -0.03 -0.73 0.06 0.00 0.00 0.00 0.00 46.02 45.32 3iwk n GLY 472 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3iwk h GLU 473 N 0.00 0.00 -0.73 1.61 4.57 -1.89 -3.12 114.58 115.01 3iwk h GLU 473 Ca 0.00 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.15 3iwk h GLU 473 Cb 0.00 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.56 3iwk h GLU 473 CO 0.00 0.25 0.33 -1.49 -1.18 0.00 0.00 179.01 176.91 3iwk h TRP 474 N 0.00 1.07 -0.72 0.92 6.55 -1.83 -1.69 115.95 120.24 3iwk h TRP 474 Ca -0.00 -0.06 0.02 0.00 0.95 0.00 0.00 58.89 59.80 3iwk h TRP 474 Cb 0.47 -0.33 -0.04 0.00 -0.86 0.00 0.00 29.16 28.40 3iwk h TRP 474 CO 0.00 0.79 0.47 0.78 -1.05 0.00 0.00 178.44 179.43 3iwk h GLY 475 N 1.10 1.03 0.87 1.49 0.00 -0.71 -1.26 103.07 105.59 3iwk h GLY 475 Ca 0.25 -0.36 -0.02 0.00 0.00 0.00 0.00 47.33 47.19 3iwk h GLY 475 CO -0.03 0.33 0.05 -2.00 0.00 0.00 0.00 176.54 174.90 3iwk h LEU 476 N 0.93 0.37 -2.00 3.11 6.46 -1.59 -3.06 115.31 119.54 3iwk h LEU 476 Ca 0.28 -0.24 -0.02 0.00 -0.12 0.00 0.00 57.88 57.78 3iwk h LEU 476 Cb -0.05 -0.10 -0.00 0.00 -0.73 0.00 0.00 40.66 39.78 3iwk h LEU 476 CO -0.08 0.51 -0.09 -0.08 -0.62 0.00 0.00 178.44 178.07 3iwk h GLU 477 N 0.21 0.00 0.00 1.25 4.57 -1.00 -1.61 114.58 118.01 3iwk h GLU 477 Ca 0.08 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.26 3iwk h GLU 477 Cb 0.29 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.88 3iwk h GLU 477 CO 0.00 0.09 -0.00 -0.97 -1.18 0.00 0.00 179.01 176.96 3iwk h ASN 478 N 0.00 0.00 -0.03 1.04 -1.24 -1.13 -2.25 115.58 111.98 3iwk h ASN 478 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 3iwk h ASN 478 Cb 0.21 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.26 3iwk h ASN 478 CO 0.01 0.00 0.00 -1.22 -1.29 0.00 0.00 177.43 174.93 3iwk n TYR 479 N -3.14 0.05 -4.17 0.67 4.02 -0.62 -5.01 117.16 108.97 3iwk n TYR 479 Ca -0.03 -0.60 -0.26 0.00 -0.01 0.00 0.00 57.90 57.00 3iwk n TYR 479 Cb 0.07 -0.07 -0.07 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 -1.40 3.47 0.01 7.72 1.43 -0.85 -1.71 118.68 127.37 3iwk s LEU 480 Ca 0.09 -0.33 0.04 0.00 -1.03 0.00 0.00 54.13 52.90 3iwk s LEU 480 Cb 0.07 -2.10 -0.01 0.00 0.03 0.00 0.00 46.19 44.18 3iwk s LEU 480 CO 0.02 0.07 -0.12 -0.94 0.23 0.00 0.00 176.35 175.61 3iwk s SER 481 N -3.09 1.42 -0.16 2.29 1.04 0.20 -4.74 113.70 110.66 3iwk s SER 481 Ca 0.29 -0.33 -0.19 0.00 0.48 0.00 0.00 55.95 56.20 3iwk s SER 481 Cb -0.09 -0.12 -0.03 0.00 0.10 0.00 0.00 66.02 65.88 3iwk s SER 481 CO 0.20 0.07 0.55 -0.69 0.98 0.00 0.00 173.24 174.35 3iwk s VAL 482 N -0.58 5.11 -0.18 5.02 1.01 -1.26 -0.75 120.40 128.76 3iwk s VAL 482 Ca 0.02 1.05 -0.04 0.00 0.00 0.00 0.00 61.98 63.01 3iwk s VAL 482 Cb -0.06 -3.88 -0.02 0.00 0.00 0.00 0.00 36.38 32.42 3iwk s VAL 482 CO 0.00 0.22 -0.03 -0.75 0.00 0.00 0.00 175.10 174.55 3iwk s LYS 483 N 1.27 3.59 -0.12 2.72 2.20 -0.05 -4.99 119.74 124.36 3iwk s LYS 483 Ca 0.27 -0.54 -0.20 0.00 -0.36 0.00 0.00 55.97 55.13 3iwk s LYS 483 Cb -0.16 -2.99 -0.04 0.00 -1.51 0.00 0.00 37.83 33.14 3iwk s LYS 483 CO 0.11 0.07 0.58 -1.14 -0.36 0.00 0.00 175.35 174.61 3iwk s GLN 484 N 0.82 4.35 -0.19 4.03 0.74 -1.26 -0.89 119.66 127.25 3iwk s GLN 484 Ca -0.01 0.63 0.01 0.00 0.05 0.00 0.00 55.36 56.04 3iwk s GLN 484 Cb -0.14 -3.47 0.02 0.00 1.10 0.00 0.00 33.01 30.52 3iwk s GLN 484 CO 0.02 0.05 -0.17 0.08 -0.55 0.00 0.00 175.29 174.71 3iwk s VAL 485 N 0.93 2.21 -0.08 1.34 1.01 -0.04 -4.98 120.40 120.79 3iwk s VAL 485 Ca 0.30 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 61.32 3iwk s VAL 485 Cb -0.16 -1.98 0.02 0.00 0.00 0.00 0.00 36.38 34.26 3iwk s VAL 485 CO 0.13 0.46 -0.10 -0.89 0.00 0.00 0.00 175.10 174.70 3iwk s THR 486 N 1.29 1.03 -0.06 3.92 2.01 -1.26 -1.07 115.64 121.50 3iwk s THR 486 Ca 0.04 -0.38 0.04 0.00 0.31 0.00 0.00 61.69 61.69 3iwk s THR 486 Cb -0.14 -0.98 -0.02 0.00 0.01 0.00 0.00 72.50 71.37 3iwk s THR 486 CO -0.11 0.34 -0.17 -0.60 -0.69 0.00 0.00 174.62 173.40 3iwk s ARG 487 N 0.98 2.61 -0.10 4.92 3.52 -0.01 -4.99 118.95 125.88 3iwk s ARG 487 Ca -0.09 -0.74 -0.24 0.00 -0.13 0.00 0.00 55.73 54.53 3iwk s ARG 487 Cb -0.15 -2.36 -0.03 0.00 -1.56 0.00 0.00 34.95 30.85 3iwk s ARG 487 CO 0.00 0.52 0.74 -0.47 -0.81 0.00 0.00 175.30 175.28 3iwk s TYR 488 N -0.48 3.52 -0.20 5.12 5.04 -1.26 -1.83 117.35 127.25 3iwk s TYR 488 Ca 0.06 1.23 0.10 0.00 -2.44 0.00 0.00 57.07 56.02 3iwk s TYR 488 Cb -0.12 -2.87 -0.19 0.00 0.35 0.00 0.00 41.96 39.13 3iwk s TYR 488 CO 0.02 -0.03 -0.06 2.41 -1.34 0.00 0.00 175.55 176.55 3iwk n THR 489 N 4.13 1.29 -2.38 4.34 -1.04 0.23 -4.99 114.28 115.87 3iwk n THR 489 Ca 0.00 -0.66 -0.26 0.00 -2.04 0.00 0.00 64.05 61.10 3iwk n THR 489 Cb 0.50 -0.88 0.04 0.00 -1.82 0.00 0.00 70.33 68.18 3iwk n THR 489 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3iwk s SER 490 N -5.71 5.31 0.01 8.00 1.04 -1.23 -5.00 113.70 116.11 3iwk s SER 490 Ca -0.19 0.55 0.23 0.00 0.48 0.00 0.00 55.95 57.01 3iwk s SER 490 Cb 0.07 -1.42 0.10 0.00 0.10 0.00 0.00 66.02 64.87 3iwk s SER 490 CO 0.66 -1.24 1.11 0.47 0.98 0.00 0.00 173.24 175.22 3iwk n ASP 491 N -2.66 0.71 -4.64 7.02 10.43 -1.26 -4.95 116.55 121.21 3iwk n ASP 491 Ca 0.06 -0.53 -0.46 0.00 2.57 0.00 0.00 54.79 56.42 3iwk n ASP 491 Cb 0.59 0.69 -0.03 0.00 1.84 0.00 0.00 41.12 44.20 3iwk n ASP 491 CO 0.00 0.00 0.00 1.21 -1.07 0.00 0.00 177.20 177.34 3iwk n GLU 492 N -1.61 1.74 -1.92 -1.24 4.07 -1.26 -4.94 120.64 115.48 3iwk n GLU 492 Ca 0.04 0.62 -0.37 0.00 -0.06 0.00 0.00 57.16 57.39 3iwk n GLU 492 Cb 0.36 -2.24 0.04 0.00 -0.06 0.00 0.00 31.44 29.53 3iwk n GLU 492 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 3iwk s PRO 493 N -0.21 3.10 0.23 5.31 0.04 -1.26 -4.91 135.00 137.30 3iwk s PRO 493 Ca 0.72 2.02 -0.06 0.00 0.04 0.00 0.00 61.00 63.72 3iwk s PRO 493 Cb -0.73 -2.12 0.40 0.00 0.04 0.00 0.00 34.50 32.08 3iwk s PRO 493 CO 0.49 -1.16 1.72 2.35 0.04 0.00 0.00 177.00 180.44 3iwk h TRP 494 N 1.25 0.41 -0.38 0.56 -0.00 -1.98 -3.46 115.95 112.34 3iwk h TRP 494 Ca -0.51 0.04 -0.07 0.00 -0.00 0.00 0.00 58.89 58.35 3iwk h TRP 494 Cb 1.30 -0.07 -0.01 0.00 -0.00 0.00 0.00 29.16 30.37 3iwk h TRP 494 CO 0.46 0.04 -0.08 0.41 -0.00 0.00 0.00 178.44 179.27 3iwk n GLY 495 N -1.32 0.39 0.11 2.65 0.00 -1.26 -4.96 105.19 100.80 3iwk n GLY 495 Ca 0.12 -0.80 -0.21 0.00 0.00 0.00 0.00 46.02 45.13 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 0.13 -2.72 1.61 2.91 -2.04 -3.48 115.95 112.37 3iwk h TRP 496 Ca -0.08 -0.10 -0.47 0.00 1.13 0.00 0.00 58.89 59.37 3iwk h TRP 496 Cb 0.74 -0.01 0.02 0.00 -0.51 0.00 0.00 29.16 29.40 3iwk h TRP 496 CO 0.10 1.49 -0.16 0.71 -1.03 0.00 0.00 178.44 179.55 3iwk s TYR 497 N -2.39 3.37 -0.11 2.65 2.02 -1.26 -5.07 117.35 116.55 3iwk s TYR 497 Ca -0.26 0.27 -0.28 0.00 -0.37 0.00 0.00 57.07 56.43 3iwk s TYR 497 Cb 0.05 -2.06 -0.01 0.00 -0.40 0.00 0.00 41.96 39.53 3iwk s TYR 497 CO 0.65 -0.07 0.96 -0.65 -1.57 0.00 0.00 175.55 174.86 3iwk s GLN 498 N -4.40 4.41 0.35 -0.62 -1.52 -1.26 -5.03 119.66 111.58 3iwk s GLN 498 Ca 0.44 1.30 -0.28 0.00 -1.95 0.00 0.00 55.36 54.86 3iwk s GLN 498 Cb -0.10 -3.54 -0.10 0.00 -0.22 0.00 0.00 33.01 29.06 3iwk s GLN 498 CO 0.36 -0.28 1.29 -2.14 -0.25 0.00 0.00 175.29 174.27 3iwk s PRO 499 N 1.92 4.25 0.83 2.91 0.02 -1.26 -5.02 135.00 138.66 3iwk s PRO 499 Ca 0.46 2.16 -0.12 0.00 0.02 0.00 0.00 61.00 63.52 3iwk s PRO 499 Cb -0.18 -2.97 0.09 0.00 0.02 0.00 0.00 34.50 31.45 3iwk s PRO 499 CO 0.17 -0.25 1.11 -2.14 -0.33 0.00 0.00 177.00 175.56 3iwk s PRO 500 N -1.92 1.83 0.20 5.54 0.02 -1.26 -5.00 135.00 134.42 3iwk s PRO 500 Ca 0.51 0.57 -0.30 0.00 0.02 0.00 0.00 61.00 61.80 3iwk s PRO 500 Cb -0.38 -1.90 -0.09 0.00 0.02 0.00 0.00 34.50 32.15 3iwk s PRO 500 CO 0.50 -1.78 1.35 -1.54 -0.33 0.00 0.00 177.00 175.20 3iwk s SER 501 N -3.91 6.83 0.00 2.53 1.04 -1.26 -5.33 113.70 113.60 3iwk s SER 501 Ca 0.62 2.46 0.00 0.00 0.48 0.00 0.00 55.95 59.50 3iwk s SER 501 Cb -0.15 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.36 3iwk s SER 501 CO 0.54 -0.58 0.00 1.17 0.98 0.00 0.00 173.24 175.35