#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iwk s ARG 8 N 0.00 2.30 0.00 4.33 1.81 -1.26 -5.15 118.95 120.98 3iwk s ARG 8 Ca 0.00 -1.60 0.00 0.00 -1.72 0.00 0.00 55.73 52.41 3iwk s ARG 8 Cb 0.00 -2.12 0.00 0.00 -0.45 0.00 0.00 34.95 32.38 3iwk s ARG 8 CO 0.00 0.11 0.00 1.04 -0.68 0.00 0.00 175.30 175.77 3iwk n GLN 9 N -1.11 2.96 -2.85 3.54 1.13 -1.26 -4.52 117.38 115.27 3iwk n GLN 9 Ca -0.03 0.00 -0.35 0.00 -1.94 0.00 0.00 57.00 54.68 3iwk n GLN 9 Cb 0.62 0.00 -0.07 0.00 0.11 0.00 0.00 30.24 30.90 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 4.13 -0.49 1.08 1.43 -0.26 -4.85 118.68 119.73 3iwk s LEU 10 Ca 0.00 1.70 -0.12 0.00 -1.03 0.00 0.00 54.13 54.67 3iwk s LEU 10 Cb 0.00 -4.23 0.11 0.00 0.03 0.00 0.00 46.19 42.10 3iwk s LEU 10 CO 0.00 -0.21 0.39 0.12 0.23 0.00 0.00 176.35 176.89 3iwk s PHE 11 N -1.90 3.33 -0.03 0.29 5.36 -0.56 -1.05 117.98 123.42 3iwk s PHE 11 Ca 0.55 -1.49 0.05 0.00 -0.96 0.00 0.00 56.93 55.08 3iwk s PHE 11 Cb -0.13 -3.48 -0.01 0.00 -0.34 0.00 0.00 43.02 39.06 3iwk s PHE 11 CO 0.18 -0.95 -0.16 0.42 -1.46 0.00 0.00 175.22 173.24 3iwk s ILE 12 N 1.49 1.34 -1.61 3.12 1.01 -0.43 0.08 121.20 126.19 3iwk s ILE 12 Ca 0.04 -0.69 -0.15 0.00 0.00 0.00 0.00 60.65 59.85 3iwk s ILE 12 Cb -0.27 -1.13 0.12 0.00 0.01 0.00 0.00 42.46 41.19 3iwk s ILE 12 CO 0.02 0.38 0.81 -0.67 0.00 0.00 0.00 174.94 175.48 3iwk n ASP 13 N 2.91 -3.38 0.00 3.58 2.03 -1.26 -0.39 116.55 120.03 3iwk n ASP 13 Ca -0.16 -0.94 0.00 0.00 0.52 0.00 0.00 54.79 54.21 3iwk n ASP 13 Cb 0.54 -3.16 0.00 0.00 -0.72 0.00 0.00 41.12 37.77 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 -1.56 0.50 3.22 0.27 0.00 -1.26 -4.47 105.19 101.90 3iwk n GLY 14 Ca 0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.88 3iwk n GLY 14 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3iwk s GLU 15 N -0.42 0.98 -0.16 1.61 0.41 0.47 -4.91 118.70 116.69 3iwk s GLU 15 Ca 0.00 -1.31 -0.26 0.00 -0.41 0.00 0.00 54.97 52.99 3iwk s GLU 15 Cb 0.00 -0.66 -0.01 0.00 -1.78 0.00 0.00 34.13 31.67 3iwk s GLU 15 CO 0.00 0.10 0.88 -1.58 -0.49 0.00 0.00 175.26 174.17 3iwk s TRP 16 N -2.75 3.43 -0.05 1.61 0.52 -1.26 -1.32 118.94 119.13 3iwk s TRP 16 Ca 0.11 1.33 0.02 0.00 0.02 0.00 0.00 56.10 57.59 3iwk s TRP 16 Cb -0.01 -3.06 0.01 0.00 -1.15 0.00 0.00 33.47 29.26 3iwk s TRP 16 CO 0.01 -0.25 -0.11 1.03 0.02 0.00 0.00 176.95 177.65 3iwk s ARG 17 N 2.17 1.36 0.29 4.98 1.81 -0.21 -4.94 118.95 124.41 3iwk s ARG 17 Ca 0.40 -0.36 -0.29 0.00 -1.72 0.00 0.00 55.73 53.76 3iwk s ARG 17 Cb -0.17 -1.19 -0.10 0.00 -0.45 0.00 0.00 34.95 33.04 3iwk s ARG 17 CO 0.13 0.07 1.36 0.08 -0.68 0.00 0.00 175.30 176.26 3iwk s VAL 18 N 0.46 2.73 0.32 3.52 1.01 -1.26 -1.10 120.40 126.08 3iwk s VAL 18 Ca -0.09 0.66 -0.27 0.00 0.00 0.00 0.00 61.98 62.28 3iwk s VAL 18 Cb -0.13 -3.42 -0.13 0.00 0.00 0.00 0.00 36.38 32.70 3iwk s VAL 18 CO 0.02 0.13 1.08 -2.65 0.00 0.00 0.00 175.10 173.68 3iwk n PRO 19 N 1.58 1.56 -0.21 2.72 -0.02 -1.26 -4.89 135.00 134.48 3iwk n PRO 19 Ca 0.03 0.55 0.01 0.00 -2.02 0.00 0.00 63.50 62.07 3iwk n PRO 19 Cb 0.41 -2.00 0.12 0.00 -0.02 0.00 0.00 33.50 32.01 3iwk n PRO 19 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3iwk h ILE 20 N 2.07 0.69 -0.01 4.25 1.08 -1.93 0.11 117.51 123.76 3iwk h ILE 20 Ca -0.42 -0.12 0.00 0.00 -0.39 0.00 0.00 64.86 63.93 3iwk h ILE 20 Cb 1.32 0.32 0.00 0.00 -3.07 0.00 0.00 36.82 35.39 3iwk h ILE 20 CO 0.60 0.06 0.00 0.18 -0.69 0.00 0.00 178.15 178.31 3iwk n LEU 21 N -5.06 0.75 -3.86 1.44 4.32 -1.26 -4.96 117.00 108.36 3iwk n LEU 21 Ca 0.10 -0.26 -0.37 0.00 -0.02 0.00 0.00 56.01 55.46 3iwk n LEU 21 Cb 0.32 -0.00 0.03 0.00 -1.62 0.00 0.00 43.42 42.15 3iwk n LEU 21 CO 0.19 0.13 -0.12 -3.20 -1.22 0.00 0.00 177.39 173.17 3iwk n ASN 22 N -0.40 -4.81 -4.43 -1.43 5.15 0.39 -5.00 115.26 104.72 3iwk n ASN 22 Ca 0.21 -1.12 -0.22 0.00 -0.60 0.00 0.00 54.58 52.84 3iwk n ASN 22 Cb 0.23 -2.46 -0.10 0.00 -0.53 0.00 0.00 39.78 36.92 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 -6.49 1.57 0.14 1.20 1.02 -1.26 -5.04 119.74 110.88 3iwk s LYS 23 Ca 0.43 -1.71 0.04 0.00 0.02 0.00 0.00 55.97 54.75 3iwk s LYS 23 Cb -0.20 -1.58 -0.04 0.00 -0.52 0.00 0.00 37.83 35.49 3iwk s LYS 23 CO 0.91 0.29 -0.10 1.03 -0.92 0.00 0.00 175.35 176.57 3iwk s ARG 24 N -3.52 1.03 -0.12 1.68 1.81 -1.26 -1.45 118.95 117.11 3iwk s ARG 24 Ca 0.27 -1.43 0.02 0.00 -1.72 0.00 0.00 55.73 52.87 3iwk s ARG 24 Cb -0.04 -0.58 0.01 0.00 -0.45 0.00 0.00 34.95 33.90 3iwk s ARG 24 CO 0.12 0.07 -0.20 0.42 -0.68 0.00 0.00 175.30 175.03 3iwk s ILE 25 N -3.35 1.86 0.62 1.52 1.01 0.17 -4.82 121.20 118.22 3iwk s ILE 25 Ca 0.16 -0.86 -0.18 0.00 0.00 0.00 0.00 60.65 59.77 3iwk s ILE 25 Cb 0.03 -1.66 -0.02 0.00 0.01 0.00 0.00 42.46 40.82 3iwk s ILE 25 CO -0.00 0.51 1.21 -2.84 0.00 0.00 0.00 174.94 173.82 3iwk s PRO 26 N 0.82 2.81 -0.14 2.79 0.02 -1.26 0.16 135.00 140.20 3iwk s PRO 26 Ca -0.08 1.81 0.01 0.00 0.02 0.00 0.00 61.00 62.76 3iwk s PRO 26 Cb -0.16 -1.91 -0.00 0.00 0.02 0.00 0.00 34.50 32.45 3iwk s PRO 26 CO -0.01 -1.33 -0.17 1.21 -0.33 0.00 0.00 177.00 176.38 3iwk s ASN 27 N -1.69 3.60 -0.16 2.53 2.47 0.11 -4.80 114.94 116.99 3iwk s ASN 27 Ca 0.77 -0.46 -0.06 0.00 0.42 0.00 0.00 52.86 53.53 3iwk s ASN 27 Cb -0.30 -1.54 -0.04 0.00 -1.45 0.00 0.00 41.25 37.92 3iwk s ASN 27 CO 0.36 0.12 0.04 -0.63 -3.72 0.00 0.00 177.10 173.26 3iwk s ILE 28 N 0.62 4.56 -0.26 -5.21 -1.09 -1.26 -1.45 121.20 117.11 3iwk s ILE 28 Ca -0.09 -0.12 -0.29 0.00 -2.23 0.00 0.00 60.65 57.91 3iwk s ILE 28 Cb -0.16 -3.02 -0.01 0.00 -1.58 0.00 0.00 42.46 37.69 3iwk s ILE 28 CO 0.03 0.49 1.36 0.21 -1.23 0.00 0.00 174.94 175.80 3iwk s ASN 29 N 0.15 6.67 0.59 3.58 3.04 0.38 -4.92 114.94 124.42 3iwk s ASN 29 Ca 0.03 1.39 0.33 0.00 0.04 0.00 0.00 52.86 54.66 3iwk s ASN 29 Cb -0.13 -2.54 1.85 0.00 -1.54 0.00 0.00 41.25 38.89 3iwk s ASN 29 CO 0.01 -1.05 2.21 1.55 -3.04 0.00 0.00 177.10 176.78 3iwk h PRO 30 N 9.36 0.00 0.00 0.43 0.13 -1.80 0.70 132.00 140.82 3iwk h PRO 30 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3iwk h PRO 30 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3iwk h PRO 30 CO 1.01 0.04 -1.22 -1.13 -0.23 0.00 0.00 178.00 176.47 3iwk n SER 31 N -3.52 0.59 -0.00 1.44 3.41 -1.26 -0.79 113.62 113.48 3iwk n SER 31 Ca -0.02 0.09 0.03 0.00 -0.26 0.00 0.00 58.87 58.71 3iwk n SER 31 Cb 0.14 0.88 -0.04 0.00 -0.26 0.00 0.00 64.21 64.94 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 -2.36 0.00 -1.04 6.66 -2.24 -1.05 -3.45 114.28 110.80 3iwk n THR 32 Ca -0.00 -0.22 -0.01 0.00 -2.27 0.00 0.00 64.05 61.54 3iwk n THR 32 Cb 0.52 0.62 -0.01 0.00 -2.10 0.00 0.00 70.33 69.36 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 -1.48 -0.80 -3.90 -0.78 1.02 0.21 -4.54 120.64 110.38 3iwk n GLU 33 Ca -0.00 0.30 -0.23 0.00 -0.02 0.00 0.00 57.16 57.20 3iwk n GLU 33 Cb 0.12 -3.96 -0.02 0.00 -0.02 0.00 0.00 31.44 27.56 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 -2.14 6.33 -0.21 1.62 0.01 -1.25 -4.85 114.94 114.45 3iwk s ASN 34 Ca 0.00 0.16 -0.29 0.00 -0.71 0.00 0.00 52.86 52.01 3iwk s ASN 34 Cb 0.00 -1.90 0.00 0.00 0.41 0.00 0.00 41.25 39.76 3iwk s ASN 34 CO 0.00 -0.04 1.13 -0.63 -1.51 0.00 0.00 177.10 176.05 3iwk s ILE 35 N -1.91 4.51 -0.46 0.60 1.01 -1.26 -0.47 121.20 123.22 3iwk s ILE 35 Ca 0.35 1.82 0.05 0.00 0.00 0.00 0.00 60.65 62.87 3iwk s ILE 35 Cb -0.10 -4.20 0.13 0.00 0.01 0.00 0.00 42.46 38.30 3iwk s ILE 35 CO 0.29 -0.19 1.05 0.00 0.00 0.00 0.00 174.94 176.10 3iwk n ILE 36 N 5.39 0.85 -1.89 2.92 0.13 -0.53 -4.94 119.36 121.29 3iwk n ILE 36 Ca 0.13 -0.93 0.00 0.00 -1.10 0.00 0.00 62.75 60.85 3iwk n ILE 36 Cb 0.46 0.59 0.00 0.00 -0.84 0.00 0.00 39.64 39.85 3iwk n ILE 36 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 3iwk n GLY 37 N 0.02 -1.89 3.28 4.50 0.00 -1.23 -5.02 105.19 104.85 3iwk n GLY 37 Ca 0.05 -1.18 -0.11 0.00 0.00 0.00 0.00 46.02 44.78 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 -2.03 0.11 -0.02 1.61 1.47 -1.26 0.06 116.67 116.60 3iwk s ASP 38 Ca 0.00 -1.25 0.03 0.00 1.18 0.00 0.00 52.55 52.51 3iwk s ASP 38 Cb 0.00 0.42 -0.00 0.00 -0.34 0.00 0.00 42.92 43.00 3iwk s ASP 38 CO 0.00 -0.90 -0.11 -0.63 0.68 0.00 0.00 175.17 174.21 3iwk s ILE 39 N -4.11 0.89 0.48 2.11 -1.09 0.12 -4.80 121.20 114.80 3iwk s ILE 39 Ca 0.33 -0.46 -0.24 0.00 -2.23 0.00 0.00 60.65 58.06 3iwk s ILE 39 Cb 0.05 -0.76 -0.07 0.00 -1.58 0.00 0.00 42.46 40.10 3iwk s ILE 39 CO 0.10 0.26 1.33 -2.84 -1.23 0.00 0.00 174.94 172.56 3iwk s PRO 40 N -0.10 3.53 -0.59 2.79 0.02 -1.26 0.46 135.00 139.85 3iwk s PRO 40 Ca 0.01 2.18 -0.03 0.00 0.02 0.00 0.00 61.00 63.18 3iwk s PRO 40 Cb -0.06 -2.47 0.15 0.00 0.02 0.00 0.00 34.50 32.14 3iwk s PRO 40 CO 0.00 -0.86 0.40 0.00 -0.33 0.00 0.00 177.00 176.21 3iwk s ALA 41 N -1.32 3.52 0.64 -1.55 0.00 -0.53 -3.73 121.76 118.79 3iwk s ALA 41 Ca 0.65 -3.11 -0.16 0.00 0.00 0.00 0.00 51.96 49.34 3iwk s ALA 41 Cb -0.39 -2.65 -0.01 0.00 0.00 0.00 0.00 23.12 20.08 3iwk s ALA 41 CO 0.47 -2.05 1.13 0.00 0.00 0.00 0.00 175.76 175.31 3iwk s ALA 42 N 0.21 2.47 0.23 0.00 0.00 0.91 -4.57 121.76 121.02 3iwk s ALA 42 Ca 0.15 0.64 0.01 0.00 0.00 0.00 0.00 51.96 52.76 3iwk s ALA 42 Cb -0.21 -3.34 -0.04 0.00 0.00 0.00 0.00 23.12 19.53 3iwk s ALA 42 CO -0.04 -1.25 0.16 -0.08 0.00 0.00 0.00 175.76 174.55 3iwk s THR 43 N -2.18 0.05 0.26 0.00 -1.32 -1.26 -3.80 115.64 107.38 3iwk s THR 43 Ca 0.69 -2.00 -0.05 0.00 -1.21 0.00 0.00 61.69 59.12 3iwk s THR 43 Cb -0.22 -2.51 0.32 0.00 -1.51 0.00 0.00 72.50 68.58 3iwk s THR 43 CO 0.39 0.00 1.62 0.50 -2.21 0.00 0.00 174.62 174.92 3iwk h LYS 44 N 2.50 0.08 -0.15 7.08 3.64 -1.93 0.74 116.57 128.53 3iwk h LYS 44 Ca -0.34 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 58.99 3iwk h LYS 44 Cb 1.25 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.04 3iwk h LYS 44 CO 0.50 0.05 -0.11 1.05 -2.27 0.00 0.00 179.45 178.67 3iwk h GLU 45 N 0.08 0.23 -0.32 1.90 9.09 -1.99 -0.24 114.58 123.32 3iwk h GLU 45 Ca 0.46 -0.05 -0.12 0.00 0.05 0.00 0.00 59.36 59.70 3iwk h GLU 45 Cb 0.84 -0.03 -0.01 0.00 -1.65 0.00 0.00 28.75 27.90 3iwk h GLU 45 CO -0.74 0.35 -0.25 -0.44 0.05 0.00 0.00 179.01 177.97 3iwk h ASP 46 N 0.22 0.78 -0.46 3.06 3.45 -1.29 -2.89 116.42 119.30 3iwk h ASP 46 Ca 0.05 -0.45 -0.02 0.00 0.43 0.00 0.00 57.03 57.04 3iwk h ASP 46 Cb 0.34 -0.22 -0.02 0.00 -0.56 0.00 0.00 39.33 38.87 3iwk h ASP 46 CO 0.02 1.07 0.22 0.58 -1.57 0.00 0.00 179.24 179.56 3iwk h VAL 47 N 0.51 1.18 -0.61 -1.35 2.07 -0.77 -1.94 116.25 115.34 3iwk h VAL 47 Ca 0.06 -0.51 0.10 0.00 0.82 0.00 0.00 66.70 67.17 3iwk h VAL 47 Cb 0.82 0.68 -0.08 0.00 -1.52 0.00 0.00 31.29 31.19 3iwk h VAL 47 CO 0.07 0.20 0.20 0.44 0.02 0.00 0.00 177.57 178.49 3iwk h ASP 48 N 0.60 0.15 -0.27 0.57 5.19 -1.08 0.12 116.42 121.70 3iwk h ASP 48 Ca 0.16 0.09 -0.07 0.00 -0.62 0.00 0.00 57.03 56.59 3iwk h ASP 48 Cb 0.11 0.09 -0.02 0.00 0.18 0.00 0.00 39.33 39.69 3iwk h ASP 48 CO -0.02 0.09 -0.06 -0.07 -3.12 0.00 0.00 179.24 176.06 3iwk h LEU 49 N 0.36 0.62 -0.22 1.55 3.38 -1.26 -0.19 115.31 119.54 3iwk h LEU 49 Ca 0.31 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 58.05 3iwk h LEU 49 Cb 0.42 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 3iwk h LEU 49 CO -0.34 0.73 -0.18 0.00 0.09 0.00 0.00 178.44 178.74 3iwk h ALA 50 N 1.34 0.31 -0.67 1.53 0.00 -0.57 -1.47 119.26 119.73 3iwk h ALA 50 Ca 0.11 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 3iwk h ALA 50 Cb 0.47 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 3iwk h ALA 50 CO 0.02 0.23 0.14 0.28 0.00 0.00 0.00 179.25 179.92 3iwk h VAL 51 N 0.19 1.26 -0.69 0.00 2.07 -0.87 -0.58 116.25 117.64 3iwk h VAL 51 Ca 0.04 -1.00 0.01 0.00 0.82 0.00 0.00 66.70 66.57 3iwk h VAL 51 Cb 0.71 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 31.06 3iwk h VAL 51 CO 0.05 0.38 0.46 0.44 0.02 0.00 0.00 177.57 178.91 3iwk h ASP 52 N 1.02 0.78 -0.42 0.57 5.19 -0.99 0.55 116.42 123.12 3iwk h ASP 52 Ca 0.21 -0.02 -0.02 0.00 -0.62 0.00 0.00 57.03 56.58 3iwk h ASP 52 Cb 0.41 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 39.71 3iwk h ASP 52 CO 0.01 0.56 0.17 0.00 -3.12 0.00 0.00 179.24 176.86 3iwk h ALA 53 N 1.26 0.54 -0.88 3.45 0.00 -0.95 -1.70 119.26 120.97 3iwk h ALA 53 Ca 0.26 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 55.05 3iwk h ALA 53 Cb -0.09 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.49 3iwk h ALA 53 CO -0.06 0.14 0.57 0.00 0.00 0.00 0.00 179.25 179.90 3iwk h ALA 54 N 1.01 1.14 -0.25 0.00 0.00 -0.74 -1.76 119.26 118.66 3iwk h ALA 54 Ca 0.14 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3iwk h ALA 54 Cb 0.19 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3iwk h ALA 54 CO -0.01 0.45 0.10 0.87 0.00 0.00 0.00 179.25 180.66 3iwk h LYS 55 N 1.13 0.38 -0.41 0.00 1.57 -0.64 -2.83 116.57 115.77 3iwk h LYS 55 Ca 0.34 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 59.01 3iwk h LYS 55 Cb -0.04 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 3iwk h LYS 55 CO -0.10 0.42 0.08 0.00 -0.57 0.00 0.00 179.45 179.28 3iwk h ARG 56 N 0.25 0.61 -0.42 3.15 3.08 -1.21 -2.86 114.38 116.99 3iwk h ARG 56 Ca 0.08 -0.11 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 3iwk h ARG 56 Cb 0.18 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 3iwk h ARG 56 CO -0.01 0.58 0.11 0.00 -1.07 0.00 0.00 179.97 179.58 3iwk h ALA 57 N 1.50 1.42 0.10 0.04 0.00 -1.09 0.17 119.26 121.39 3iwk h ALA 57 Ca 0.14 -0.16 -0.27 0.00 0.00 0.00 0.00 54.91 54.62 3iwk h ALA 57 Cb 0.25 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.88 3iwk h ALA 57 CO -0.00 0.43 -1.17 -0.84 0.00 0.00 0.00 179.25 177.67 3iwk h ILE 58 N 0.60 1.40 -0.00 0.00 3.07 -1.29 -3.35 117.51 117.95 3iwk h ILE 58 Ca 0.14 -2.71 0.00 0.00 1.55 0.00 0.00 64.86 63.84 3iwk h ILE 58 Cb 0.21 2.73 0.00 0.00 -0.27 0.00 0.00 36.82 39.50 3iwk h ILE 58 CO -0.01 0.80 -0.62 -1.54 -1.05 0.00 0.00 178.15 175.74 3iwk n SER 59 N -3.67 0.71 -4.68 2.16 3.41 -1.08 -3.57 113.62 106.91 3iwk n SER 59 Ca -0.10 -0.53 -0.47 0.00 -0.26 0.00 0.00 58.87 57.51 3iwk n SER 59 Cb 0.96 0.45 -0.04 0.00 -0.26 0.00 0.00 64.21 65.32 3iwk n SER 59 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3iwk n ARG 60 N -1.40 2.35 -3.69 4.33 0.63 0.57 -2.19 116.66 117.26 3iwk n ARG 60 Ca 0.06 0.86 -0.25 0.00 -0.92 0.00 0.00 57.85 57.60 3iwk n ARG 60 Cb 0.34 -2.73 0.06 0.00 0.45 0.00 0.00 32.46 30.58 3iwk n ARG 60 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 3iwk n LYS 61 N 6.50 -6.55 -1.35 -0.14 5.02 -1.26 -1.63 118.16 118.74 3iwk n LYS 61 Ca 0.21 0.73 -0.12 0.00 -2.02 0.00 0.00 58.31 57.11 3iwk n LYS 61 Cb 0.32 -5.65 -0.05 0.00 -0.02 0.00 0.00 35.03 29.63 3iwk n LYS 61 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3iwk n ASN 62 N -2.98 -5.71 0.00 4.39 4.13 -0.93 -1.82 115.26 112.33 3iwk n ASN 62 Ca -0.07 0.30 0.00 0.00 1.68 0.00 0.00 54.58 56.49 3iwk n ASN 62 Cb 0.58 -4.28 0.00 0.00 -1.54 0.00 0.00 39.78 34.54 3iwk n ASN 62 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3iwk n GLY 63 N 0.17 0.75 0.26 7.41 0.00 -0.64 -4.66 105.19 108.48 3iwk n GLY 63 Ca -0.12 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.98 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 3.55 0.00 0.00 1.61 3.08 -1.47 0.35 114.38 121.49 3iwk h ARG 64 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3iwk h ARG 64 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3iwk h ARG 64 CO 0.00 0.02 0.00 -0.44 -1.07 0.00 0.00 179.97 178.48 3iwk h ASP 65 N 0.00 0.00 0.00 7.04 3.32 -1.82 -3.37 116.42 121.59 3iwk h ASP 65 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3iwk h ASP 65 Cb 0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.58 3iwk h ASP 65 CO 0.00 0.00 0.00 1.87 -1.72 0.00 0.00 179.24 179.39 3iwk n TRP 66 N -2.82 -1.11 -0.18 4.55 -0.00 -0.75 -4.90 117.44 112.24 3iwk n TRP 66 Ca 0.04 0.00 -0.06 0.00 -0.00 0.00 0.00 57.50 57.48 3iwk n TRP 66 Cb 0.47 0.32 0.10 0.00 -0.00 0.00 0.00 31.31 32.20 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 0.93 -0.06 5.87 4.64 -1.64 -2.43 113.55 120.87 3iwk h SER 67 Ca 0.00 -0.22 0.00 0.00 -0.47 0.00 0.00 61.79 61.10 3iwk h SER 67 Cb 0.00 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 61.84 3iwk h SER 67 CO 0.00 0.95 0.00 0.00 -0.87 0.00 0.00 176.83 176.91 3iwk n ALA 68 N -2.47 2.50 -1.21 5.18 0.00 0.12 -4.81 120.51 119.81 3iwk n ALA 68 Ca 0.04 -0.62 -0.30 0.00 0.00 0.00 0.00 53.44 52.55 3iwk n ALA 68 Cb 0.30 -0.95 0.12 0.00 0.00 0.00 0.00 19.45 18.92 3iwk n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iwk s ALA 69 N -1.95 1.87 0.42 0.00 0.00 -0.92 -4.80 121.76 116.39 3iwk s ALA 69 Ca 0.32 0.12 -0.26 0.00 0.00 0.00 0.00 51.96 52.14 3iwk s ALA 69 Cb 0.20 -3.24 -0.10 0.00 0.00 0.00 0.00 23.12 19.99 3iwk s ALA 69 CO 0.31 -2.09 1.42 0.45 0.00 0.00 0.00 175.76 175.84 3iwk n SER 70 N -3.73 3.31 0.29 0.00 2.88 -1.26 -4.89 113.62 110.23 3iwk n SER 70 Ca 0.08 1.15 0.16 0.00 -1.33 0.00 0.00 58.87 58.94 3iwk n SER 70 Cb 0.54 -1.59 0.91 0.00 -0.75 0.00 0.00 64.21 63.32 3iwk n SER 70 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 3iwk h GLY 71 N 2.45 0.00 1.56 0.46 0.00 -1.93 -1.29 103.07 104.33 3iwk h GLY 71 Ca -0.50 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 46.76 3iwk h GLY 71 CO 0.62 0.00 -0.12 1.48 0.00 0.00 0.00 176.54 178.52 3iwk h SER 72 N 0.00 0.51 -0.42 0.19 4.64 -1.86 0.14 113.55 116.75 3iwk h SER 72 Ca -0.00 -0.13 -0.04 0.00 -0.47 0.00 0.00 61.79 61.15 3iwk h SER 72 Cb 0.15 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 62.09 3iwk h SER 72 CO 0.01 0.67 0.13 0.25 -0.87 0.00 0.00 176.83 177.01 3iwk h LEU 73 N 0.49 0.62 -0.95 5.97 5.85 -1.60 -2.69 115.31 123.00 3iwk h LEU 73 Ca 0.09 -0.21 -0.11 0.00 0.84 0.00 0.00 57.88 58.49 3iwk h LEU 73 Cb 0.50 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 3iwk h LEU 73 CO 0.03 0.67 -0.45 0.03 -0.34 0.00 0.00 178.44 178.37 3iwk h ARG 74 N 0.54 0.15 -0.71 1.25 3.08 -1.33 -3.14 114.38 114.23 3iwk h ARG 74 Ca 0.14 -0.08 -0.04 0.00 0.07 0.00 0.00 59.98 60.07 3iwk h ARG 74 Cb 0.27 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.29 3iwk h ARG 74 CO -0.00 0.58 0.29 0.00 -1.07 0.00 0.00 179.97 179.77 3iwk h ALA 75 N 1.41 0.92 -0.53 0.04 0.00 -0.57 -2.22 119.26 118.30 3iwk h ALA 75 Ca 0.01 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.79 3iwk h ALA 75 Cb 0.85 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 3iwk h ALA 75 CO 0.07 0.53 0.25 0.00 0.00 0.00 0.00 179.25 180.10 3iwk h ARG 76 N 1.00 0.47 -0.57 0.00 3.08 -1.43 0.57 114.38 117.51 3iwk h ARG 76 Ca 0.24 -0.03 -0.07 0.00 0.07 0.00 0.00 59.98 60.19 3iwk h ARG 76 Cb 0.19 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.12 3iwk h ARG 76 CO -0.02 0.31 0.08 1.88 -1.07 0.00 0.00 179.97 181.16 3iwk h TYR 77 N 0.49 1.00 -0.56 3.04 0.05 -1.54 -0.70 116.97 118.75 3iwk h TYR 77 Ca 0.24 -0.14 -0.02 0.00 0.05 0.00 0.00 58.73 58.85 3iwk h TYR 77 Cb 0.18 -0.27 -0.03 0.00 1.01 0.00 0.00 36.73 37.62 3iwk h TYR 77 CO -0.11 0.88 0.26 -0.07 -1.05 0.00 0.00 178.16 178.07 3iwk h LEU 78 N 0.83 0.74 -0.79 3.88 3.38 -1.08 0.12 115.31 122.41 3iwk h LEU 78 Ca 0.17 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 3iwk h LEU 78 Cb 0.43 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 3iwk h LEU 78 CO 0.01 0.67 0.32 0.03 0.09 0.00 0.00 178.44 179.57 3iwk h ARG 79 N 0.76 1.17 -0.09 1.13 3.08 -0.74 -0.51 114.38 119.19 3iwk h ARG 79 Ca 0.19 -0.21 -0.13 0.00 0.07 0.00 0.00 59.98 59.90 3iwk h ARG 79 Cb 0.13 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 3iwk h ARG 79 CO -0.02 0.95 -0.52 0.00 -1.07 0.00 0.00 179.97 179.30 3iwk h ALA 80 N 1.17 0.94 0.00 0.04 0.00 -0.88 -0.77 119.26 119.77 3iwk h ALA 80 Ca 0.26 -0.49 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 3iwk h ALA 80 Cb 0.20 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3iwk h ALA 80 CO -0.02 0.67 -0.00 0.82 0.00 0.00 0.00 179.25 180.72 3iwk h ILE 81 N 0.20 1.15 -0.49 0.00 2.04 -0.78 -2.52 117.51 117.10 3iwk h ILE 81 Ca 0.00 -0.44 0.08 0.00 1.00 0.00 0.00 64.86 65.50 3iwk h ILE 81 Cb 0.99 1.45 -0.07 0.00 -0.74 0.00 0.00 36.82 38.46 3iwk h ILE 81 CO 0.08 0.12 0.12 0.00 0.00 0.00 0.00 178.15 178.46 3iwk h ALA 82 N 0.81 0.57 -0.71 1.87 0.00 -0.82 -1.17 119.26 119.81 3iwk h ALA 82 Ca -0.00 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 3iwk h ALA 82 Cb 0.19 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 3iwk h ALA 82 CO 0.00 -0.29 0.25 0.00 0.00 0.00 0.00 179.25 179.21 3iwk h ALA 83 N 1.37 1.10 -0.08 0.00 0.00 -1.15 -1.47 119.26 119.04 3iwk h ALA 83 Ca 0.25 -0.20 -0.16 0.00 0.00 0.00 0.00 54.91 54.79 3iwk h ALA 83 Cb 0.31 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3iwk h ALA 83 CO -0.30 0.63 -0.65 -0.22 0.00 0.00 0.00 179.25 178.70 3iwk h LYS 84 N 1.04 0.31 -0.51 0.00 3.64 -0.98 -2.06 116.57 118.01 3iwk h LYS 84 Ca 0.23 -0.23 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 3iwk h LYS 84 Cb 0.25 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.09 3iwk h LYS 84 CO -0.01 0.85 0.25 0.82 -2.27 0.00 0.00 179.45 179.09 3iwk h ILE 85 N 0.22 1.19 -0.85 2.00 1.08 -0.96 -3.13 117.51 117.07 3iwk h ILE 85 Ca -0.01 -0.53 -0.01 0.00 -0.39 0.00 0.00 64.86 63.91 3iwk h ILE 85 Cb 1.19 0.60 -0.04 0.00 -3.07 0.00 0.00 36.82 35.50 3iwk h ILE 85 CO 0.11 0.21 0.47 0.50 -0.69 0.00 0.00 178.15 178.75 3iwk h LYS 86 N 0.68 1.18 -0.80 2.37 3.64 -0.92 -1.79 116.57 120.92 3iwk h LYS 86 Ca 0.18 -0.13 0.03 0.00 -1.27 0.00 0.00 60.65 59.45 3iwk h LYS 86 Cb 0.10 -0.23 -0.05 0.00 -0.41 0.00 0.00 32.23 31.64 3iwk h LYS 86 CO -0.02 0.86 0.51 0.93 -2.27 0.00 0.00 179.45 179.45 3iwk h GLU 87 N 1.18 0.97 -0.65 1.90 5.08 -1.36 -2.97 114.58 118.73 3iwk h GLU 87 Ca 0.30 -0.06 -0.26 0.00 -1.00 0.00 0.00 59.36 58.34 3iwk h GLU 87 Cb 0.02 -0.22 -0.16 0.00 0.50 0.00 0.00 28.75 28.89 3iwk h GLU 87 CO -0.05 0.64 0.25 1.63 -1.00 0.00 0.00 179.01 180.48 3iwk n LYS 88 N -4.59 2.75 0.10 2.33 5.02 -0.99 -4.73 118.16 118.05 3iwk n LYS 88 Ca 0.09 -3.07 -0.12 0.00 -2.02 0.00 0.00 58.31 53.20 3iwk n LYS 88 Cb 0.08 -2.06 -0.06 0.00 -0.02 0.00 0.00 35.03 32.98 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 1.69 -0.33 -0.61 1.97 3.64 -1.17 -1.75 116.57 120.01 3iwk h LYS 89 Ca 0.32 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.71 3iwk h LYS 89 Cb 2.20 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 34.06 3iwk h LYS 89 CO 0.68 -0.22 0.33 -0.44 -2.27 0.00 0.00 179.45 177.54 3iwk h ASP 90 N -0.34 0.77 -0.33 4.20 3.32 -1.86 -1.29 116.42 120.89 3iwk h ASP 90 Ca 0.03 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 3iwk h ASP 90 Cb 0.37 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 3iwk h ASP 90 CO -0.11 0.65 0.18 -0.08 -1.72 0.00 0.00 179.24 178.16 3iwk h GLU 91 N 0.84 0.46 0.00 3.56 4.81 -1.89 -2.51 114.58 119.85 3iwk h GLU 91 Ca 0.22 -0.06 -0.09 0.00 -0.13 0.00 0.00 59.36 59.30 3iwk h GLU 91 Cb 0.05 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 3iwk h GLU 91 CO -0.03 0.40 -0.41 -0.07 -0.73 0.00 0.00 179.01 178.17 3iwk h LEU 92 N 0.41 0.00 0.24 1.64 3.38 -1.17 -2.73 115.31 117.07 3iwk h LEU 92 Ca 0.12 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3iwk h LEU 92 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3iwk h LEU 92 CO -0.02 0.41 -0.11 1.23 0.09 0.00 0.00 178.44 180.04 3iwk h GLY 93 N 1.52 -0.33 1.63 0.83 0.00 -0.92 -0.27 103.07 105.53 3iwk h GLY 93 Ca -0.00 0.12 -0.04 0.00 0.00 0.00 0.00 47.33 47.41 3iwk h GLY 93 CO 0.05 -0.12 0.01 0.07 0.00 0.00 0.00 176.54 176.55 3iwk h LYS 94 N -0.54 0.47 -0.93 4.80 2.10 -1.50 -1.05 116.57 119.94 3iwk h LYS 94 Ca -0.03 -0.09 0.00 0.00 -2.00 0.00 0.00 60.65 58.53 3iwk h LYS 94 Cb 0.40 -0.07 -0.05 0.00 -0.90 0.00 0.00 32.23 31.61 3iwk h LYS 94 CO 0.05 0.49 0.58 1.25 -2.00 0.00 0.00 179.45 179.83 3iwk h LEU 95 N 0.46 1.09 -0.47 7.07 5.85 -1.37 -1.22 115.31 126.71 3iwk h LEU 95 Ca 0.10 -0.05 -0.14 0.00 0.84 0.00 0.00 57.88 58.63 3iwk h LEU 95 Cb 0.29 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 3iwk h LEU 95 CO 0.01 0.81 -0.30 -0.08 -0.34 0.00 0.00 178.44 178.54 3iwk h GLU 96 N 1.27 0.94 -0.31 1.25 4.57 -0.10 -2.04 114.58 120.15 3iwk h GLU 96 Ca 0.34 -0.44 -0.06 0.00 -1.18 0.00 0.00 59.36 58.01 3iwk h GLU 96 Cb -0.10 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.47 3iwk h GLU 96 CO -0.07 1.11 -0.03 0.77 -1.18 0.00 0.00 179.01 179.61 3iwk h SER 97 N 0.79 0.57 -0.93 1.04 0.02 -0.83 -1.41 113.55 112.80 3iwk h SER 97 Ca 0.09 -0.33 0.04 0.00 -0.84 0.00 0.00 61.79 60.74 3iwk h SER 97 Cb 0.88 -0.15 -0.06 0.00 0.14 0.00 0.00 62.40 63.21 3iwk h SER 97 CO 0.08 0.76 0.60 0.40 -1.14 0.00 0.00 176.83 177.53 3iwk h ILE 98 N 0.36 1.14 -0.10 3.27 2.04 -1.26 -0.99 117.51 121.97 3iwk h ILE 98 Ca 0.09 -0.40 -0.13 0.00 1.00 0.00 0.00 64.86 65.42 3iwk h ILE 98 Cb 0.49 -0.11 0.01 0.00 -0.74 0.00 0.00 36.82 36.46 3iwk h ILE 98 CO 0.02 0.21 -0.46 -0.78 0.00 0.00 0.00 178.15 177.14 3iwk h ASP 99 N 1.15 0.58 0.00 1.72 3.58 -1.01 -3.40 116.42 119.04 3iwk h ASP 99 Ca 0.37 -0.64 -0.02 0.00 0.42 0.00 0.00 57.03 57.17 3iwk h ASP 99 Cb 0.03 -0.17 -0.00 0.00 1.72 0.00 0.00 39.33 40.90 3iwk h ASP 99 CO -0.13 1.12 -1.35 0.00 -2.88 0.00 0.00 179.24 176.01 3iwk n GLY 101 N 2.17 1.01 3.81 0.00 0.00 -0.38 -4.25 105.19 107.55 3iwk n GLY 101 Ca -0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 3iwk n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iwk s LYS 102 N -0.98 4.35 0.29 1.61 -2.85 -1.25 -3.35 119.74 117.56 3iwk s LYS 102 Ca 0.00 1.03 -0.28 0.00 -1.00 0.00 0.00 55.97 55.72 3iwk s LYS 102 Cb 0.00 -2.78 -0.14 0.00 -2.06 0.00 0.00 37.83 32.85 3iwk s LYS 102 CO 0.00 0.31 1.04 -2.30 0.10 0.00 0.00 175.35 174.50 3iwk n PRO 103 N 0.51 1.42 -0.26 1.78 -0.02 -1.26 -4.52 135.00 132.65 3iwk n PRO 103 Ca 0.00 0.50 0.16 0.00 -2.02 0.00 0.00 63.50 62.14 3iwk n PRO 103 Cb 0.51 -1.89 0.45 0.00 -0.02 0.00 0.00 33.50 32.55 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 2.04 0.53 -1.01 2.45 5.85 -1.48 -0.09 115.31 123.60 3iwk h LEU 104 Ca -0.40 0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.28 3iwk h LEU 104 Cb 1.33 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.30 3iwk h LEU 104 CO 0.61 0.23 -0.25 -0.33 -0.34 0.00 0.00 178.44 178.36 3iwk h GLU 105 N 0.54 0.42 -0.33 1.25 5.08 -1.87 0.40 114.58 120.07 3iwk h GLU 105 Ca 0.47 -0.15 -0.12 0.00 -1.00 0.00 0.00 59.36 58.56 3iwk h GLU 105 Cb 0.99 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.20 3iwk h GLU 105 CO -0.21 0.64 -0.28 0.93 -1.00 0.00 0.00 179.01 179.09 3iwk h GLU 106 N 0.37 0.67 -0.39 2.33 5.08 -1.37 -2.37 114.58 118.90 3iwk h GLU 106 Ca 0.06 -0.29 -0.16 0.00 -1.00 0.00 0.00 59.36 57.97 3iwk h GLU 106 Cb 0.64 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 3iwk h GLU 106 CO 0.05 0.88 -0.39 0.00 -1.00 0.00 0.00 179.01 178.54 3iwk h ALA 107 N 1.11 0.58 -0.28 3.43 0.00 -0.74 -1.40 119.26 121.96 3iwk h ALA 107 Ca 0.07 -0.46 -0.07 0.00 0.00 0.00 0.00 54.91 54.45 3iwk h ALA 107 Cb 0.77 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 3iwk h ALA 107 CO 0.06 0.68 -0.14 -0.07 0.00 0.00 0.00 179.25 179.79 3iwk h LEU 108 N 0.77 0.46 -0.19 0.00 -0.00 -0.90 -2.22 115.31 113.23 3iwk h LEU 108 Ca 0.06 -0.12 -0.03 0.00 -0.00 0.00 0.00 57.88 57.79 3iwk h LEU 108 Cb 0.98 -0.12 -0.01 0.00 -0.00 0.00 0.00 40.66 41.51 3iwk h LEU 108 CO 0.10 0.63 0.01 0.00 -0.00 0.00 0.00 178.44 179.17 3iwk h ALA 109 N 1.42 0.25 -0.78 1.53 0.00 -1.27 -2.51 119.26 117.90 3iwk h ALA 109 Ca 0.08 -0.19 0.18 0.00 0.00 0.00 0.00 54.91 54.97 3iwk h ALA 109 Cb 0.50 -0.07 -0.11 0.00 0.00 0.00 0.00 17.79 18.11 3iwk h ALA 109 CO 0.03 -0.05 0.22 -0.44 0.00 0.00 0.00 179.25 179.01 3iwk h ASP 110 N 0.09 0.07 -0.46 0.00 3.45 -1.05 -1.75 116.42 116.77 3iwk h ASP 110 Ca 0.05 0.15 -0.11 0.00 0.43 0.00 0.00 57.03 57.56 3iwk h ASP 110 Cb 0.37 0.19 -0.01 0.00 -0.56 0.00 0.00 39.33 39.31 3iwk h ASP 110 CO 0.01 -0.04 -0.13 -0.07 -1.57 0.00 0.00 179.24 177.44 3iwk h LEU 111 N 0.29 0.90 -0.79 1.55 4.07 -1.28 0.35 115.31 120.41 3iwk h LEU 111 Ca 0.45 -0.37 0.11 0.00 0.08 0.00 0.00 57.88 58.15 3iwk h LEU 111 Cb 0.80 -0.25 -0.08 0.00 1.08 0.00 0.00 40.66 42.21 3iwk h LEU 111 CO -0.52 1.07 0.42 0.44 -1.08 0.00 0.00 178.44 178.76 3iwk h ASP 112 N 0.73 0.54 -0.35 -0.43 3.32 -0.99 -1.75 116.42 117.50 3iwk h ASP 112 Ca 0.11 0.07 -0.10 0.00 0.02 0.00 0.00 57.03 57.13 3iwk h ASP 112 Cb 0.68 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.19 3iwk h ASP 112 CO 0.05 0.28 -0.14 0.44 -1.72 0.00 0.00 179.24 178.15 3iwk h ASP 113 N 0.66 0.80 0.05 6.45 5.19 -0.87 -1.65 116.42 127.05 3iwk h ASP 113 Ca 0.40 -0.26 0.02 0.00 -0.62 0.00 0.00 57.03 56.58 3iwk h ASP 113 Cb 0.47 -0.22 -0.03 0.00 0.18 0.00 0.00 39.33 39.73 3iwk h ASP 113 CO -0.30 0.95 -0.17 0.58 -3.12 0.00 0.00 179.24 177.18 3iwk h VAL 114 N 0.72 0.60 -0.16 -1.35 2.07 -0.33 0.84 116.25 118.63 3iwk h VAL 114 Ca 0.11 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.68 3iwk h VAL 114 Cb 0.64 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 3iwk h VAL 114 CO 0.04 0.00 -0.11 0.58 0.02 0.00 0.00 177.57 178.10 3iwk h VAL 115 N -0.31 0.67 -0.25 2.57 2.07 -1.18 -1.86 116.25 117.96 3iwk h VAL 115 Ca 0.04 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.52 3iwk h VAL 115 Cb 0.35 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 3iwk h VAL 115 CO -0.13 0.00 -0.03 0.00 0.02 0.00 0.00 177.57 177.43 3iwk h ALA 116 N 1.01 1.48 -0.12 1.67 0.00 -1.09 -1.11 119.26 121.11 3iwk h ALA 116 Ca 0.10 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 3iwk h ALA 116 Cb 0.26 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 3iwk h ALA 116 CO -0.23 0.37 -0.04 0.00 0.00 0.00 0.00 179.25 179.35 3iwk h PHE 118 N -0.08 0.74 -0.38 0.00 0.04 -1.09 -1.74 116.94 114.44 3iwk h PHE 118 Ca 0.03 0.01 -0.10 0.00 2.80 0.00 0.00 57.97 60.71 3iwk h PHE 118 Cb 0.47 -0.25 -0.02 0.00 2.20 0.00 0.00 35.95 38.35 3iwk h PHE 118 CO 0.06 0.49 -0.18 0.93 -0.60 0.00 0.00 178.31 179.00 3iwk h GLU 119 N 0.79 0.71 -0.43 1.51 5.08 -1.16 -1.15 114.58 119.93 3iwk h GLU 119 Ca 0.21 -0.26 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 3iwk h GLU 119 Cb -0.06 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 3iwk h GLU 119 CO -0.04 0.84 0.18 -0.92 -1.00 0.00 0.00 179.01 178.07 3iwk h TYR 120 N 0.63 0.65 0.00 4.33 3.20 -0.33 -2.40 116.97 123.06 3iwk h TYR 120 Ca 0.10 -0.05 -0.05 0.00 3.14 0.00 0.00 58.73 61.87 3iwk h TYR 120 Cb 0.66 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.72 3iwk h TYR 120 CO 0.03 0.56 -0.29 1.88 -1.64 0.00 0.00 178.16 178.70 3iwk h TYR 121 N 0.55 0.00 -0.53 -3.82 -1.99 -1.20 -2.37 116.97 107.61 3iwk h TYR 121 Ca 0.14 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.87 3iwk h TYR 121 Cb 0.18 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 38.89 3iwk h TYR 121 CO -0.00 0.23 0.32 0.00 -0.00 0.00 0.00 178.16 178.71 3iwk h ALA 122 N 1.77 0.68 -0.55 3.88 0.00 -1.17 0.19 119.26 124.05 3iwk h ALA 122 Ca -0.01 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 54.87 3iwk h ALA 122 Cb 1.18 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 3iwk h ALA 122 CO 0.03 0.16 0.32 0.78 0.00 0.00 0.00 179.25 180.54 3iwk h GLY 123 N 0.71 0.79 2.00 0.00 0.00 -0.98 -1.95 103.07 103.64 3iwk h GLY 123 Ca 0.19 -0.23 -0.09 0.00 0.00 0.00 0.00 47.33 47.20 3iwk h GLY 123 CO -0.04 0.18 -0.43 1.41 0.00 0.00 0.00 176.54 177.66 3iwk h LEU 124 N 0.62 0.00 -0.38 3.11 4.07 -1.32 -3.11 115.31 118.30 3iwk h LEU 124 Ca 0.23 0.00 -0.07 0.00 0.08 0.00 0.00 57.88 58.12 3iwk h LEU 124 Cb 0.07 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.80 3iwk h LEU 124 CO -0.12 0.43 -0.03 0.00 -1.08 0.00 0.00 178.44 177.64 3iwk h ALA 125 N 1.57 0.52 -0.00 1.53 0.00 -0.20 -2.29 119.26 120.39 3iwk h ALA 125 Ca -0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3iwk h ALA 125 Cb 0.85 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3iwk h ALA 125 CO 0.06 0.33 -0.01 -0.85 0.00 0.00 0.00 179.25 178.77 3iwk n GLU 126 N -4.43 0.43 0.00 0.00 0.28 -0.93 -2.30 120.64 113.69 3iwk n GLU 126 Ca -0.01 -0.01 0.11 0.00 -0.16 0.00 0.00 57.16 57.08 3iwk n GLU 126 Cb 0.31 -1.50 0.02 0.00 1.43 0.00 0.00 31.44 31.70 3iwk n GLU 126 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 3iwk n GLU 127 N -1.27 0.00 0.02 3.44 1.02 -1.12 -4.47 120.64 118.26 3iwk n GLU 127 Ca 0.14 -0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.25 3iwk n GLU 127 Cb 0.25 -1.50 0.20 0.00 -0.02 0.00 0.00 31.44 30.36 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 0.47 -0.62 -4.62 5.85 -0.99 -3.08 115.31 112.33 3iwk h LEU 128 Ca 0.00 -0.17 0.05 0.00 0.84 0.00 0.00 57.88 58.60 3iwk h LEU 128 Cb 0.50 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.35 3iwk h LEU 128 CO 0.00 0.74 0.35 0.44 -0.34 0.00 0.00 178.44 179.63 3iwk h ASP 129 N 0.41 0.53 0.55 1.25 3.32 -1.78 -2.31 116.42 118.39 3iwk h ASP 129 Ca 0.06 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 3iwk h ASP 129 Cb 0.70 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.16 3iwk h ASP 129 CO 0.05 0.36 -0.03 0.77 -1.72 0.00 0.00 179.24 178.67 3iwk h SER 130 N 0.66 0.00 0.48 6.45 4.64 -1.83 -2.40 113.55 121.55 3iwk h SER 130 Ca 0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 3iwk h SER 130 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 3iwk h SER 130 CO -0.15 0.03 -0.18 0.29 -0.87 0.00 0.00 176.83 175.95 3iwk n LYS 131 N -3.19 0.46 -2.50 4.77 5.02 -0.87 -4.90 118.16 116.94 3iwk n LYS 131 Ca -0.01 -0.17 -0.35 0.00 -2.02 0.00 0.00 58.31 55.75 3iwk n LYS 131 Cb 0.22 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.70 3iwk n LYS 131 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 3iwk s GLN 132 N -2.66 3.90 -1.31 1.97 -1.52 -0.91 -3.91 119.66 115.22 3iwk s GLN 132 Ca 0.23 1.47 -0.04 0.00 -1.95 0.00 0.00 55.36 55.07 3iwk s GLN 132 Cb 0.19 -2.28 0.01 0.00 -0.22 0.00 0.00 33.01 30.72 3iwk s GLN 132 CO 0.53 -0.37 0.97 1.63 -0.25 0.00 0.00 175.29 177.80 3iwk n LYS 133 N -0.62 -6.37 -2.53 2.91 5.02 -0.80 -4.95 118.16 110.82 3iwk n LYS 133 Ca 0.08 0.75 -0.43 0.00 -2.02 0.00 0.00 58.31 56.69 3iwk n LYS 133 Cb 0.51 -5.65 -0.02 0.00 -0.02 0.00 0.00 35.03 29.85 3iwk n LYS 133 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3iwk s ALA 134 N -3.42 3.57 0.37 7.82 0.00 -1.20 -4.77 121.76 124.12 3iwk s ALA 134 Ca 0.23 0.19 -0.27 0.00 0.00 0.00 0.00 51.96 52.11 3iwk s ALA 134 Cb -0.10 -3.65 -0.10 0.00 0.00 0.00 0.00 23.12 19.27 3iwk s ALA 134 CO 0.76 -1.35 1.31 -1.25 0.00 0.00 0.00 175.76 175.24 3iwk s PRO 135 N 3.61 4.16 -0.27 0.00 0.04 -1.26 -1.92 135.00 139.36 3iwk s PRO 135 Ca 0.50 2.20 -0.08 0.00 0.04 0.00 0.00 61.00 63.66 3iwk s PRO 135 Cb -0.17 -2.91 -0.02 0.00 0.04 0.00 0.00 34.50 31.44 3iwk s PRO 135 CO 0.14 -0.35 0.09 0.42 0.04 0.00 0.00 177.00 177.35 3iwk s ILE 136 N -1.20 4.36 -0.11 0.56 -1.09 0.07 -4.93 121.20 118.87 3iwk s ILE 136 Ca 0.53 -0.25 -0.30 0.00 -2.23 0.00 0.00 60.65 58.40 3iwk s ILE 136 Cb -0.39 -3.09 -0.02 0.00 -1.58 0.00 0.00 42.46 37.37 3iwk s ILE 136 CO 0.51 0.26 1.19 -0.94 -1.23 0.00 0.00 174.94 174.73 3iwk s SER 137 N 1.61 7.04 0.10 3.58 1.04 -1.26 -4.18 113.70 121.63 3iwk s SER 137 Ca 0.06 1.71 0.02 0.00 0.48 0.00 0.00 55.95 58.22 3iwk s SER 137 Cb -0.16 -2.55 -0.04 0.00 0.10 0.00 0.00 66.02 63.37 3iwk s SER 137 CO 0.04 -0.63 0.17 -0.76 0.98 0.00 0.00 173.24 173.04 3iwk s LEU 138 N 2.67 4.08 -0.02 2.42 1.02 -1.26 -5.05 118.68 122.54 3iwk s LEU 138 Ca 0.54 0.09 -0.24 0.00 0.02 0.00 0.00 54.13 54.54 3iwk s LEU 138 Cb -0.22 -2.70 -0.17 0.00 0.02 0.00 0.00 46.19 43.12 3iwk s LEU 138 CO 0.18 0.13 1.14 1.55 0.02 0.00 0.00 176.35 179.37 3iwk h PRO 139 N 2.84 -0.23 -6.27 1.29 0.13 -1.96 -3.43 132.00 124.38 3iwk h PRO 139 Ca -0.47 0.02 -0.55 0.00 -0.87 0.00 0.00 66.00 64.13 3iwk h PRO 139 Cb 1.18 0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 3iwk h PRO 139 CO 0.69 0.16 0.96 1.41 -0.23 0.00 0.00 178.00 180.99 3iwk s MET 140 N -4.19 4.22 0.00 0.86 1.75 -1.26 -4.91 119.30 115.77 3iwk s MET 140 Ca -0.14 1.98 0.23 0.00 -1.25 0.00 0.00 55.69 56.52 3iwk s MET 140 Cb 0.02 -3.80 1.21 0.00 2.84 0.00 0.00 34.83 35.09 3iwk s MET 140 CO 0.56 -0.73 1.80 -0.40 -0.65 0.00 0.00 175.02 175.60 3iwk n ASP 141 N 6.45 0.57 -0.07 1.11 5.75 -1.26 -3.25 116.55 125.84 3iwk n ASP 141 Ca 0.15 -1.40 0.14 0.00 -0.01 0.00 0.00 54.79 53.68 3iwk n ASP 141 Cb 0.44 -0.02 0.68 0.00 -1.03 0.00 0.00 41.12 41.18 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 -0.46 0.00 -4.28 2.12 -2.24 -1.26 -4.87 114.28 103.29 3iwk n THR 142 Ca 0.17 -0.04 -0.19 0.00 -2.27 0.00 0.00 64.05 61.73 3iwk n THR 142 Cb 0.17 -0.25 -0.11 0.00 -2.10 0.00 0.00 70.33 68.04 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 -2.48 1.55 -0.05 4.78 0.40 -1.20 -0.29 117.98 120.69 3iwk s PHE 143 Ca 0.30 -0.54 0.00 0.00 -0.60 0.00 0.00 56.93 56.09 3iwk s PHE 143 Cb 0.20 -0.79 0.03 0.00 0.51 0.00 0.00 43.02 42.97 3iwk s PHE 143 CO 0.47 0.22 -0.01 0.21 0.70 0.00 0.00 175.22 176.80 3iwk s LYS 144 N -2.87 0.57 -0.00 0.44 2.47 0.68 -4.88 119.74 116.15 3iwk s LYS 144 Ca 0.13 0.03 0.04 0.00 -1.56 0.00 0.00 55.97 54.60 3iwk s LYS 144 Cb -0.04 -0.75 -0.01 0.00 -1.46 0.00 0.00 37.83 35.57 3iwk s LYS 144 CO 0.04 -0.17 -0.11 0.45 0.16 0.00 0.00 175.35 175.72 3iwk s SER 145 N 1.28 1.33 0.27 1.43 0.15 -1.26 -0.25 113.70 116.65 3iwk s SER 145 Ca -0.06 -0.25 -0.09 0.00 0.70 0.00 0.00 55.95 56.26 3iwk s SER 145 Cb -0.13 -0.13 -0.01 0.00 -1.71 0.00 0.00 66.02 64.04 3iwk s SER 145 CO -0.02 0.11 0.44 -0.72 1.20 0.00 0.00 173.24 174.25 3iwk s TYR 146 N -0.38 0.62 0.00 3.44 -0.85 -0.13 -0.75 117.35 119.31 3iwk s TYR 146 Ca 0.03 -0.94 0.05 0.00 -0.52 0.00 0.00 57.07 55.70 3iwk s TYR 146 Cb -0.05 0.05 -0.03 0.00 0.38 0.00 0.00 41.96 42.31 3iwk s TYR 146 CO -0.00 -1.00 -0.15 0.96 -1.52 0.00 0.00 175.55 173.84 3iwk s ILE 147 N -3.77 2.97 -0.07 -3.49 -4.36 -0.81 -0.70 121.20 110.97 3iwk s ILE 147 Ca 0.26 -0.96 0.02 0.00 -0.26 0.00 0.00 60.65 59.71 3iwk s ILE 147 Cb 0.00 -2.22 -0.02 0.00 1.25 0.00 0.00 42.46 41.47 3iwk s ILE 147 CO 0.12 0.45 -0.12 -0.76 0.24 0.00 0.00 174.94 174.87 3iwk s LEU 148 N -1.15 2.85 -0.49 0.37 1.43 0.39 -1.91 118.68 120.18 3iwk s LEU 148 Ca 0.14 -0.18 -0.11 0.00 -1.03 0.00 0.00 54.13 52.94 3iwk s LEU 148 Cb -0.11 -1.60 0.12 0.00 0.03 0.00 0.00 46.19 44.63 3iwk s LEU 148 CO 0.04 0.31 0.39 -0.54 0.23 0.00 0.00 176.35 176.77 3iwk s LYS 149 N -0.50 2.66 0.12 1.70 1.02 -1.26 -0.58 119.74 122.89 3iwk s LYS 149 Ca 0.07 -1.71 0.05 0.00 0.02 0.00 0.00 55.97 54.39 3iwk s LYS 149 Cb -0.12 -4.04 -0.04 0.00 -0.52 0.00 0.00 37.83 33.12 3iwk s LYS 149 CO 0.02 -1.21 0.06 -1.21 -0.92 0.00 0.00 175.35 172.09 3iwk s GLU 150 N 1.45 2.74 0.36 1.68 2.02 -0.68 -4.90 118.70 121.37 3iwk s GLU 150 Ca 0.05 -0.83 -0.27 0.00 0.02 0.00 0.00 54.97 53.93 3iwk s GLU 150 Cb -0.27 -2.61 -0.12 0.00 0.10 0.00 0.00 34.13 31.23 3iwk s GLU 150 CO 0.01 0.52 1.30 -0.35 0.02 0.00 0.00 175.26 176.76 3iwk n PRO 151 N 0.19 2.13 0.24 0.39 -0.04 -1.25 0.21 135.00 136.87 3iwk n PRO 151 Ca -0.09 0.75 0.10 0.00 -0.04 0.00 0.00 63.50 64.22 3iwk n PRO 151 Cb 0.53 -2.37 0.58 0.00 -0.04 0.00 0.00 33.50 32.20 3iwk n PRO 151 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 3iwk h ILE 152 N 2.48 0.69 0.00 0.52 6.09 -1.68 -3.42 117.51 122.20 3iwk h ILE 152 Ca -0.47 -0.86 0.00 0.00 -1.37 0.00 0.00 64.86 62.17 3iwk h ILE 152 Cb 1.28 1.54 0.00 0.00 0.47 0.00 0.00 36.82 40.11 3iwk h ILE 152 CO 0.62 0.20 0.00 0.61 -3.07 0.00 0.00 178.15 176.51 3iwk n GLY 153 N -0.39 0.29 3.63 8.18 0.00 -1.26 -4.83 105.19 110.81 3iwk n GLY 153 Ca -0.01 -1.12 -0.40 0.00 0.00 0.00 0.00 46.02 44.49 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 5.04 -0.08 1.61 1.01 -1.26 -2.41 120.40 124.31 3iwk s VAL 154 Ca 0.00 1.00 0.03 0.00 0.00 0.00 0.00 61.98 63.01 3iwk s VAL 154 Cb 0.00 -3.87 -0.02 0.00 0.00 0.00 0.00 36.38 32.49 3iwk s VAL 154 CO 0.00 0.08 -0.18 0.68 0.00 0.00 0.00 175.10 175.68 3iwk s VAL 155 N 2.23 2.66 -0.30 2.92 -7.23 -0.27 -0.21 120.40 120.20 3iwk s VAL 155 Ca 0.24 -0.83 -0.11 0.00 -1.81 0.00 0.00 61.98 59.46 3iwk s VAL 155 Cb -0.16 -2.05 -0.04 0.00 0.56 0.00 0.00 36.38 34.70 3iwk s VAL 155 CO 0.09 0.56 0.20 0.00 -0.31 0.00 0.00 175.10 175.64 3iwk s ALA 156 N -0.11 3.49 -0.35 1.32 0.00 -0.48 -0.95 121.76 124.69 3iwk s ALA 156 Ca -0.03 -1.19 -0.04 0.00 0.00 0.00 0.00 51.96 50.70 3iwk s ALA 156 Cb -0.14 -2.51 0.07 0.00 0.00 0.00 0.00 23.12 20.54 3iwk s ALA 156 CO 0.04 -0.69 0.11 -0.51 0.00 0.00 0.00 175.76 174.71 3iwk s LEU 157 N 1.74 4.51 -0.28 0.00 1.02 -0.11 -0.96 118.68 124.60 3iwk s LEU 157 Ca 0.07 -1.48 -0.05 0.00 0.02 0.00 0.00 54.13 52.68 3iwk s LEU 157 Cb -0.16 -1.81 0.01 0.00 0.02 0.00 0.00 46.19 44.25 3iwk s LEU 157 CO 0.10 -0.38 0.04 -0.63 0.02 0.00 0.00 176.35 175.50 3iwk s ILE 158 N 1.27 3.66 0.17 -0.59 1.01 -0.49 -0.37 121.20 125.87 3iwk s ILE 158 Ca 0.00 -0.77 0.11 0.00 0.00 0.00 0.00 60.65 59.99 3iwk s ILE 158 Cb -0.21 -2.87 -0.04 0.00 0.01 0.00 0.00 42.46 39.35 3iwk s ILE 158 CO -0.01 0.12 -0.22 0.42 0.00 0.00 0.00 174.94 175.26 3iwk s THR 159 N 1.45 2.49 0.72 2.92 -4.23 -1.01 -1.99 115.64 116.00 3iwk s THR 159 Ca 0.02 -1.88 -0.02 0.00 -1.18 0.00 0.00 61.69 58.63 3iwk s THR 159 Cb -0.17 -2.18 0.12 0.00 1.34 0.00 0.00 72.50 71.61 3iwk s THR 159 CO 0.00 -0.05 1.00 -2.16 -0.54 0.00 0.00 174.62 172.87 3iwk s PRO 160 N -2.51 1.74 0.03 3.99 0.04 -1.21 -2.85 135.00 134.22 3iwk s PRO 160 Ca 0.20 -0.93 0.24 0.00 0.04 0.00 0.00 61.00 60.54 3iwk s PRO 160 Cb -0.09 -2.29 0.26 0.00 0.04 0.00 0.00 34.50 32.42 3iwk s PRO 160 CO 0.10 -1.42 1.22 -2.67 0.04 0.00 0.00 177.00 174.27 3iwk n TRP 161 N -2.86 0.13 -0.06 0.56 4.27 -1.26 -4.24 117.44 113.99 3iwk n TRP 161 Ca 0.13 0.04 -0.16 0.00 -3.89 0.00 0.00 57.50 53.63 3iwk n TRP 161 Cb 0.60 -0.31 -0.06 0.00 -1.36 0.00 0.00 31.31 30.19 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 0.88 -2.27 -0.67 -1.07 -1.96 -3.32 115.58 107.18 3iwk h ASN 162 Ca 0.00 -0.57 -0.59 0.00 0.07 0.00 0.00 56.30 55.21 3iwk h ASN 162 Cb 0.59 -0.26 -0.41 0.00 -2.07 0.00 0.00 38.32 36.17 3iwk h ASN 162 CO 0.00 1.29 -0.70 -1.22 0.07 0.00 0.00 177.43 176.87 3iwk n TYR 163 N -4.07 2.72 0.06 4.14 4.01 -1.26 -5.00 117.16 117.76 3iwk n TYR 163 Ca -0.06 -4.04 -0.12 0.00 -0.16 0.00 0.00 57.90 53.53 3iwk n TYR 163 Cb 0.63 -0.50 -0.05 0.00 -0.31 0.00 0.00 39.34 39.11 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 4.33 -0.41 -0.00 -0.72 0.11 -1.74 0.13 132.00 133.70 3iwk h PRO 164 Ca 0.17 0.03 -0.25 0.00 0.11 0.00 0.00 66.00 66.06 3iwk h PRO 164 Cb 0.72 0.09 0.01 0.00 0.11 0.00 0.00 31.00 31.94 3iwk h PRO 164 CO 0.74 -0.27 -1.00 0.35 -0.21 0.00 0.00 178.00 177.61 3iwk h PHE 165 N -0.43 0.86 -0.24 0.65 3.57 -1.92 -3.03 116.94 116.41 3iwk h PHE 165 Ca 0.06 -0.47 -0.15 0.00 3.53 0.00 0.00 57.97 60.95 3iwk h PHE 165 Cb 0.52 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.16 3iwk h PHE 165 CO -0.32 1.30 -0.42 1.25 -2.23 0.00 0.00 178.31 177.89 3iwk h LEU 166 N 0.33 0.79 -0.55 0.59 5.85 -1.80 -1.59 115.31 118.93 3iwk h LEU 166 Ca -0.11 -0.53 -0.08 0.00 0.84 0.00 0.00 57.88 58.00 3iwk h LEU 166 Cb 1.64 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 42.43 3iwk h LEU 166 CO 0.19 1.17 0.02 0.24 -0.34 0.00 0.00 178.44 179.71 3iwk h MET 167 N 0.43 0.96 -0.28 1.25 2.86 -0.87 0.14 114.93 119.42 3iwk h MET 167 Ca 0.01 -0.30 0.05 0.00 -2.06 0.00 0.00 59.70 57.40 3iwk h MET 167 Cb 1.02 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 32.55 3iwk h MET 167 CO 0.10 0.96 0.02 0.00 1.06 0.00 0.00 176.91 179.05 3iwk h ALA 168 N 0.97 0.27 -0.76 6.32 0.00 -1.54 -2.97 119.26 121.54 3iwk h ALA 168 Ca 0.16 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 3iwk h ALA 168 Cb 0.52 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 3iwk h ALA 168 CO 0.03 -0.39 0.36 1.15 0.00 0.00 0.00 179.25 180.40 3iwk h THR 169 N 0.11 1.24 -0.35 0.00 2.02 -0.83 -0.20 112.91 114.90 3iwk h THR 169 Ca 0.13 -0.67 0.10 0.00 0.77 0.00 0.00 66.41 66.75 3iwk h THR 169 Cb 0.16 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 66.83 3iwk h THR 169 CO -0.21 0.29 0.27 -0.50 0.37 0.00 0.00 175.52 175.74 3iwk h TRP 170 N 1.08 0.00 0.01 3.16 4.06 -0.58 -2.08 115.95 121.61 3iwk h TRP 170 Ca 0.26 0.00 -0.40 0.00 2.06 0.00 0.00 58.89 60.81 3iwk h TRP 170 Cb 0.11 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 28.21 3iwk h TRP 170 CO 0.01 0.00 -2.28 1.63 -3.56 0.00 0.00 178.44 174.24 3iwk n LYS 171 N -4.29 0.62 -0.04 0.49 5.02 -0.80 -4.45 118.16 114.72 3iwk n LYS 171 Ca 0.06 0.27 -0.13 0.00 -2.02 0.00 0.00 58.31 56.48 3iwk n LYS 171 Cb 0.45 -1.56 -0.01 0.00 -0.02 0.00 0.00 35.03 33.88 3iwk n LYS 171 CO 0.00 0.00 0.00 -0.84 -0.52 0.00 0.00 177.40 176.04 3iwk h ILE 172 N -0.56 1.29 0.11 -0.18 -0.00 -1.01 -2.75 117.51 114.42 3iwk h ILE 172 Ca -0.58 -1.81 -0.01 0.00 -0.00 0.00 0.00 64.86 62.46 3iwk h ILE 172 Cb 1.71 1.75 0.00 0.00 -0.00 0.00 0.00 36.82 40.28 3iwk h ILE 172 CO -0.23 0.58 -0.05 0.00 -0.00 0.00 0.00 178.15 178.44 3iwk h ALA 173 N 0.76 -0.15 -0.43 0.16 0.00 -1.62 0.99 119.26 118.99 3iwk h ALA 173 Ca -0.00 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 3iwk h ALA 173 Cb 1.19 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 3iwk h ALA 173 CO 0.12 -0.58 -0.09 -1.00 0.00 0.00 0.00 179.25 177.71 3iwk h PRO 174 N -0.17 0.75 -0.53 0.00 0.13 -1.78 -1.98 132.00 128.41 3iwk h PRO 174 Ca -0.02 -0.23 -0.03 0.00 -0.87 0.00 0.00 66.00 64.85 3iwk h PRO 174 Cb 0.13 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 31.17 3iwk h PRO 174 CO 0.03 0.82 0.20 0.00 -0.23 0.00 0.00 178.00 178.81 3iwk h ALA 175 N 1.22 0.69 -0.05 -0.56 0.00 -1.20 0.93 119.26 120.29 3iwk h ALA 175 Ca 0.12 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3iwk h ALA 175 Cb 0.55 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 3iwk h ALA 175 CO 0.03 0.31 0.00 -0.07 0.00 0.00 0.00 179.25 179.53 3iwk h LEU 176 N 0.72 0.08 -0.94 0.00 3.38 -0.81 -0.77 115.31 116.97 3iwk h LEU 176 Ca 0.18 -0.29 0.20 0.00 0.09 0.00 0.00 57.88 58.05 3iwk h LEU 176 Cb 0.21 -0.02 -0.11 0.00 0.09 0.00 0.00 40.66 40.83 3iwk h LEU 176 CO -0.01 0.35 0.52 0.00 0.09 0.00 0.00 178.44 179.39 3iwk h ALA 177 N 0.73 1.55 0.00 1.53 0.00 -1.26 -0.88 119.26 120.93 3iwk h ALA 177 Ca 0.01 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3iwk h ALA 177 Cb 0.30 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 3iwk h ALA 177 CO 0.00 -0.16 -0.14 0.00 0.00 0.00 0.00 179.25 178.95 3iwk h ALA 178 N 1.65 1.20 0.00 0.00 0.00 -0.52 -3.45 119.26 118.13 3iwk h ALA 178 Ca 0.56 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.34 3iwk h ALA 178 Cb 0.93 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3iwk h ALA 178 CO -0.42 0.18 0.00 0.41 0.00 0.00 0.00 179.25 179.41 3iwk n GLY 179 N -0.45 1.13 3.88 0.00 0.00 -0.34 -3.84 105.19 105.57 3iwk n GLY 179 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 3iwk n GLY 179 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iwk s ALA 181 N -3.11 3.28 0.04 0.00 0.00 -1.01 -4.53 121.76 116.41 3iwk s ALA 181 Ca 0.54 -0.78 0.08 0.00 0.00 0.00 0.00 51.96 51.79 3iwk s ALA 181 Cb -0.11 -1.63 -0.03 0.00 0.00 0.00 0.00 23.12 21.35 3iwk s ALA 181 CO 0.52 0.40 -0.22 0.00 0.00 0.00 0.00 175.76 176.46 3iwk s ALA 182 N -0.28 2.41 -0.27 0.00 0.00 0.26 -1.11 121.76 122.78 3iwk s ALA 182 Ca 0.07 -1.22 -0.01 0.00 0.00 0.00 0.00 51.96 50.79 3iwk s ALA 182 Cb -0.12 -0.61 0.04 0.00 0.00 0.00 0.00 23.12 22.42 3iwk s ALA 182 CO 0.02 0.55 -0.04 0.42 0.00 0.00 0.00 175.76 176.71 3iwk s ILE 183 N -0.84 2.86 0.01 0.00 1.09 -0.12 -0.48 121.20 123.73 3iwk s ILE 183 Ca 0.13 -1.21 -0.22 0.00 -1.10 0.00 0.00 60.65 58.25 3iwk s ILE 183 Cb -0.10 -2.55 -0.05 0.00 -1.06 0.00 0.00 42.46 38.70 3iwk s ILE 183 CO 0.03 0.06 0.64 -0.22 -0.10 0.00 0.00 174.94 175.35 3iwk s LEU 184 N 1.28 4.43 -0.44 2.97 2.96 0.10 -0.93 118.68 129.05 3iwk s LEU 184 Ca -0.03 1.24 0.03 0.00 -0.22 0.00 0.00 54.13 55.16 3iwk s LEU 184 Cb -0.18 -3.01 0.12 0.00 0.50 0.00 0.00 46.19 43.62 3iwk s LEU 184 CO -0.03 0.09 0.19 -0.75 -1.32 0.00 0.00 176.35 174.52 3iwk s LYS 185 N -0.20 1.58 0.75 1.98 2.36 0.50 -1.21 119.74 125.51 3iwk s LYS 185 Ca 0.33 -2.16 -0.11 0.00 -2.55 0.00 0.00 55.97 51.48 3iwk s LYS 185 Cb -0.19 -2.94 0.04 0.00 -1.05 0.00 0.00 37.83 33.69 3iwk s LYS 185 CO 0.19 -1.07 1.10 -1.25 1.55 0.00 0.00 175.35 175.87 3iwk s PRO 186 N 0.32 2.47 0.30 4.03 0.04 -1.26 -2.40 135.00 138.51 3iwk s PRO 186 Ca 0.15 0.52 -0.29 0.00 0.04 0.00 0.00 61.00 61.42 3iwk s PRO 186 Cb -0.23 -1.97 -0.10 0.00 0.04 0.00 0.00 34.50 32.23 3iwk s PRO 186 CO -0.04 -1.32 1.34 0.45 0.04 0.00 0.00 177.00 177.46 3iwk s SER 187 N -4.18 6.75 0.61 6.66 0.15 -1.13 -4.56 113.70 118.00 3iwk s SER 187 Ca 0.59 2.66 0.31 0.00 0.70 0.00 0.00 55.95 60.22 3iwk s SER 187 Cb -0.12 -2.64 1.79 0.00 -1.71 0.00 0.00 66.02 63.33 3iwk s SER 187 CO 0.53 -0.57 2.14 1.05 1.20 0.00 0.00 173.24 177.58 3iwk h GLU 188 N 3.89 0.00 0.00 5.44 9.09 -1.94 -1.65 114.58 129.41 3iwk h GLU 188 Ca -0.48 0.00 -0.13 0.00 0.05 0.00 0.00 59.36 58.80 3iwk h GLU 188 Cb 1.22 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.31 3iwk h GLU 188 CO 0.69 0.00 -0.61 -0.07 0.05 0.00 0.00 179.01 179.07 3iwk h LEU 189 N 0.00 0.00 -6.31 3.06 3.38 -1.93 -3.42 115.31 110.10 3iwk h LEU 189 Ca 0.06 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.71 3iwk h LEU 189 Cb 0.39 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 40.85 3iwk h LEU 189 CO -0.00 0.61 -0.65 0.00 0.09 0.00 0.00 178.44 178.49 3iwk s ALA 190 N -3.12 -0.71 -0.00 1.53 0.00 -0.62 -4.73 121.76 114.10 3iwk s ALA 190 Ca 0.02 -0.76 0.00 0.00 0.00 0.00 0.00 51.96 51.22 3iwk s ALA 190 Cb 0.10 -2.14 -0.00 0.00 0.00 0.00 0.00 23.12 21.08 3iwk s ALA 190 CO 0.75 -2.12 0.24 0.43 0.00 0.00 0.00 175.76 175.06 3iwk n SER 191 N 4.34 0.48 -0.05 0.00 7.64 -1.22 -4.27 113.62 120.54 3iwk n SER 191 Ca 0.10 -0.74 -0.12 0.00 1.01 0.00 0.00 58.87 59.13 3iwk n SER 191 Cb 0.47 0.52 -0.06 0.00 -1.01 0.00 0.00 64.21 64.13 3iwk n SER 191 CO 0.00 0.00 0.00 -0.37 -3.01 0.00 0.00 175.04 171.66 3iwk h VAL 192 N 0.00 1.25 -0.09 0.44 -1.51 -1.94 -1.13 116.25 113.27 3iwk h VAL 192 Ca 0.00 -0.83 -0.10 0.00 -1.23 0.00 0.00 66.70 64.54 3iwk h VAL 192 Cb 0.00 1.50 -0.01 0.00 -2.13 0.00 0.00 31.29 30.65 3iwk h VAL 192 CO 0.00 0.25 -0.40 0.71 -1.23 0.00 0.00 177.57 176.90 3iwk h THR 193 N 0.02 1.30 -0.57 7.19 1.35 -1.90 -1.37 112.91 118.93 3iwk h THR 193 Ca 0.04 -1.48 -0.06 0.00 -0.55 0.00 0.00 66.41 64.37 3iwk h THR 193 Cb 0.37 1.68 -0.03 0.00 -1.73 0.00 0.00 68.15 68.44 3iwk h THR 193 CO 0.01 0.44 0.11 0.00 -0.25 0.00 0.00 175.52 175.83 3iwk h LEU 195 N 0.85 0.39 -1.73 0.00 3.38 -0.61 -2.94 115.31 114.66 3iwk h LEU 195 Ca 0.18 -0.20 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 3iwk h LEU 195 Cb 0.34 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3iwk h LEU 195 CO 0.00 0.83 -0.17 -0.33 0.09 0.00 0.00 178.44 178.86 3iwk h GLU 196 N 0.28 0.00 -0.59 1.13 4.39 -0.99 -2.27 114.58 116.53 3iwk h GLU 196 Ca 0.01 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 3iwk h GLU 196 Cb 0.99 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.61 3iwk h GLU 196 CO 0.09 0.17 0.32 1.25 -1.16 0.00 0.00 179.01 179.68 3iwk h LEU 197 N 0.00 0.72 -1.09 1.33 5.85 -1.23 -2.43 115.31 118.46 3iwk h LEU 197 Ca -0.00 -0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.70 3iwk h LEU 197 Cb 0.36 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.16 3iwk h LEU 197 CO 0.02 0.58 0.61 1.23 -0.34 0.00 0.00 178.44 180.55 3iwk h GLY 198 N 0.88 1.34 1.15 3.75 0.00 -1.47 -0.27 103.07 108.45 3iwk h GLY 198 Ca 0.21 -0.47 -0.14 0.00 0.00 0.00 0.00 47.33 46.93 3iwk h GLY 198 CO -0.03 0.41 -0.28 -2.09 0.00 0.00 0.00 176.54 174.55 3iwk h GLU 199 N 1.19 0.96 -0.50 4.80 4.57 -1.51 -2.22 114.58 121.87 3iwk h GLU 199 Ca 0.37 -0.44 0.01 0.00 -1.18 0.00 0.00 59.36 58.12 3iwk h GLU 199 Cb -0.02 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.53 3iwk h GLU 199 CO -0.11 1.11 0.32 0.82 -1.18 0.00 0.00 179.01 179.97 3iwk h ILE 200 N 0.81 1.09 -0.95 2.32 2.04 -0.98 -1.29 117.51 120.55 3iwk h ILE 200 Ca 0.09 -0.22 0.08 0.00 1.00 0.00 0.00 64.86 65.81 3iwk h ILE 200 Cb 0.86 0.40 -0.07 0.00 -0.74 0.00 0.00 36.82 37.27 3iwk h ILE 200 CO 0.08 0.12 0.60 0.00 0.00 0.00 0.00 178.15 178.95 3iwk h LYS 202 N 1.07 0.29 -0.58 0.00 3.64 -0.94 -0.46 116.57 119.59 3iwk h LYS 202 Ca 0.43 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.67 3iwk h LYS 202 Cb 0.24 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.99 3iwk h LYS 202 CO -0.20 0.35 0.00 0.93 -2.27 0.00 0.00 179.45 178.27 3iwk h GLU 203 N 0.16 1.00 0.00 1.90 5.08 -0.83 -2.48 114.58 119.41 3iwk h GLU 203 Ca 0.07 -0.30 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 3iwk h GLU 203 Cb 0.17 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.32 3iwk h GLU 203 CO -0.01 0.98 0.00 0.28 -1.00 0.00 0.00 179.01 179.26 3iwk h VAL 204 N 0.92 0.00 -1.16 3.13 2.07 -0.88 -3.47 116.25 116.86 3iwk h VAL 204 Ca 0.17 -0.47 -0.12 0.00 0.82 0.00 0.00 66.70 67.11 3iwk h VAL 204 Cb 0.53 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 3iwk h VAL 204 CO 0.03 0.00 -0.16 0.61 0.02 0.00 0.00 177.57 178.07 3iwk n GLY 205 N 0.10 0.22 3.71 2.17 0.00 -0.29 -4.99 105.19 106.11 3iwk n GLY 205 Ca 0.01 -0.59 -0.43 0.00 0.00 0.00 0.00 46.02 45.01 3iwk n GLY 205 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3iwk n LEU 206 N -1.04 3.83 -4.62 0.99 7.94 -0.58 -4.87 117.00 118.65 3iwk n LEU 206 Ca -0.05 1.10 -0.48 0.00 -1.11 0.00 0.00 56.01 55.46 3iwk n LEU 206 Cb 0.55 -1.54 -0.04 0.00 0.53 0.00 0.00 43.42 42.92 3iwk n LEU 206 CO 0.10 0.01 0.96 -2.65 -1.11 0.00 0.00 177.39 174.70 3iwk n PRO 207 N 3.13 1.60 -1.72 1.96 -0.02 -1.26 -4.82 135.00 133.86 3iwk n PRO 207 Ca 0.14 0.57 -0.42 0.00 -2.02 0.00 0.00 63.50 61.76 3iwk n PRO 207 Cb 0.34 -2.22 -0.01 0.00 -0.02 0.00 0.00 33.50 31.59 3iwk n PRO 207 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 3iwk n ARG 208 N 2.49 2.28 -0.12 -0.52 1.85 -1.26 -2.37 116.66 119.01 3iwk n ARG 208 Ca 0.16 0.80 0.00 0.00 -1.00 0.00 0.00 57.85 57.81 3iwk n ARG 208 Cb 0.25 -2.44 0.00 0.00 -1.05 0.00 0.00 32.46 29.22 3iwk n ARG 208 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3iwk n GLY 209 N 0.97 1.59 0.17 2.89 0.00 -1.26 -4.64 105.19 104.90 3iwk n GLY 209 Ca 0.05 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.93 3iwk n GLY 209 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3iwk h VAL 210 N 0.00 1.34 -3.17 1.61 2.07 -1.76 -3.28 116.25 113.06 3iwk h VAL 210 Ca 0.00 -1.49 -0.58 0.00 0.82 0.00 0.00 66.70 65.45 3iwk h VAL 210 Cb 0.00 1.84 -0.36 0.00 -1.52 0.00 0.00 31.29 31.25 3iwk h VAL 210 CO 0.00 0.45 -0.83 -0.22 0.02 0.00 0.00 177.57 177.00 3iwk s LEU 211 N -8.93 1.56 -0.05 2.57 2.96 -1.26 0.90 118.68 116.44 3iwk s LEU 211 Ca -0.13 -0.42 0.06 0.00 -0.22 0.00 0.00 54.13 53.41 3iwk s LEU 211 Cb 0.07 -1.07 -0.01 0.00 0.50 0.00 0.00 46.19 45.67 3iwk s LEU 211 CO 0.80 -0.06 -0.23 0.20 -1.32 0.00 0.00 176.35 175.74 3iwk s ASN 212 N 1.43 3.22 -0.22 3.68 0.01 0.37 -4.67 114.94 118.76 3iwk s ASN 212 Ca 0.02 -0.46 0.01 0.00 -0.71 0.00 0.00 52.86 51.73 3iwk s ASN 212 Cb -0.13 -0.79 0.04 0.00 0.41 0.00 0.00 41.25 40.78 3iwk s ASN 212 CO -0.08 0.27 -0.14 -0.63 -1.51 0.00 0.00 177.10 175.01 3iwk s ILE 213 N -0.28 2.28 -0.35 0.60 1.01 0.11 0.02 121.20 124.59 3iwk s ILE 213 Ca 0.00 -1.22 0.03 0.00 0.00 0.00 0.00 60.65 59.46 3iwk s ILE 213 Cb -0.13 -2.15 0.10 0.00 0.01 0.00 0.00 42.46 40.30 3iwk s ILE 213 CO 0.03 0.25 0.08 -0.69 0.00 0.00 0.00 174.94 174.61 3iwk s VAL 214 N 1.23 1.97 0.40 2.92 1.01 -0.35 -1.50 120.40 126.09 3iwk s VAL 214 Ca -0.01 -2.22 -0.10 0.00 0.00 0.00 0.00 61.98 59.65 3iwk s VAL 214 Cb -0.16 -2.46 -0.06 0.00 0.00 0.00 0.00 36.38 33.70 3iwk s VAL 214 CO -0.08 -0.64 0.76 0.42 0.00 0.00 0.00 175.10 175.56 3iwk s THR 215 N 0.95 4.81 -5.00 3.92 -4.23 -1.26 -4.37 115.64 110.46 3iwk s THR 215 Ca 0.11 0.55 0.00 0.00 -1.18 0.00 0.00 61.69 61.18 3iwk s THR 215 Cb -0.19 -3.74 0.00 0.00 1.34 0.00 0.00 72.50 69.90 3iwk s THR 215 CO -0.11 -0.54 0.00 0.61 -0.54 0.00 0.00 174.62 174.04 3iwk n GLY 216 N -1.36 -1.29 3.75 3.99 0.00 -1.24 -0.06 105.19 108.98 3iwk n GLY 216 Ca 0.02 -1.40 -0.41 0.00 0.00 0.00 0.00 46.02 44.23 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 4.44 0.27 0.99 1.02 -1.26 -4.09 118.68 120.06 3iwk s LEU 217 Ca 0.00 2.48 0.01 0.00 0.02 0.00 0.00 54.13 56.63 3iwk s LEU 217 Cb 0.00 -3.63 0.61 0.00 0.02 0.00 0.00 46.19 43.20 3iwk s LEU 217 CO 0.00 -0.46 1.72 1.23 0.02 0.00 0.00 176.35 178.86 3iwk h GLY 218 N 4.43 1.40 0.73 -3.19 0.00 -1.96 0.38 103.07 104.86 3iwk h GLY 218 Ca -0.46 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 46.69 3iwk h GLY 218 CO 0.71 -0.17 -0.05 -2.39 0.00 0.00 0.00 176.54 174.64 3iwk n HIS 219 N -4.99 0.00 0.00 5.60 1.44 -1.26 -1.53 115.22 114.47 3iwk n HIS 219 Ca 0.19 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.90 3iwk n HIS 219 Cb 0.54 -0.11 0.00 0.00 0.12 0.00 0.00 29.99 30.54 3iwk n HIS 219 CO 0.00 0.00 0.00 -1.91 -2.81 0.00 0.00 176.34 171.62 3iwk n GLU 220 N -0.79 0.00 0.19 -1.40 2.13 -0.55 -4.49 120.64 115.74 3iwk n GLU 220 Ca 0.18 0.00 -0.15 0.00 0.66 0.00 0.00 57.16 57.85 3iwk n GLU 220 Cb 0.24 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 31.88 3iwk n GLU 220 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3iwk h ALA 221 N -0.84 -0.45 -0.24 4.31 0.00 -1.07 -1.64 119.26 119.33 3iwk h ALA 221 Ca 0.00 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.83 3iwk h ALA 221 Cb 0.00 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3iwk h ALA 221 CO 0.00 -0.76 0.13 0.78 0.00 0.00 0.00 179.25 179.40 3iwk h GLY 222 N -0.46 0.32 1.03 0.00 0.00 -1.43 -0.49 103.07 102.05 3iwk h GLY 222 Ca -0.03 -0.10 -0.03 0.00 0.00 0.00 0.00 47.33 47.17 3iwk h GLY 222 CO 0.04 0.09 0.39 0.00 0.00 0.00 0.00 176.54 177.06 3iwk h ALA 223 N 1.11 1.05 -0.65 3.60 0.00 -1.30 0.20 119.26 123.27 3iwk h ALA 223 Ca 0.09 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 3iwk h ALA 223 Cb 0.00 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 3iwk h ALA 223 CO -0.05 0.61 0.18 0.77 0.00 0.00 0.00 179.25 180.76 3iwk h SER 224 N 1.15 0.94 -0.07 0.00 0.02 -1.00 -0.94 113.55 113.64 3iwk h SER 224 Ca 0.28 -0.17 -0.02 0.00 -0.84 0.00 0.00 61.79 61.03 3iwk h SER 224 Cb 0.12 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.41 3iwk h SER 224 CO -0.04 0.89 -0.04 0.25 -1.14 0.00 0.00 176.83 176.75 3iwk h LEU 225 N 0.96 0.16 -1.37 5.07 5.85 -0.68 -2.44 115.31 122.87 3iwk h LEU 225 Ca 0.21 -0.44 -0.06 0.00 0.84 0.00 0.00 57.88 58.43 3iwk h LEU 225 Cb 0.31 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 3iwk h LEU 225 CO -0.00 0.57 -0.26 0.00 -0.34 0.00 0.00 178.44 178.40 3iwk h ALA 226 N 0.60 1.48 0.00 1.25 0.00 -0.92 -2.76 119.26 118.91 3iwk h ALA 226 Ca 0.01 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3iwk h ALA 226 Cb 0.51 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.24 3iwk h ALA 226 CO 0.01 0.38 0.00 0.77 0.00 0.00 0.00 179.25 180.41 3iwk h SER 227 N 0.07 0.00 -2.74 0.00 0.02 -1.13 -3.42 113.55 106.36 3iwk h SER 227 Ca 0.01 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 60.44 3iwk h SER 227 Cb 0.51 0.00 0.04 0.00 0.14 0.00 0.00 62.40 63.09 3iwk h SER 227 CO 0.04 0.00 0.95 -2.28 -1.14 0.00 0.00 176.83 174.39 3iwk s HIS 228 N -3.16 2.86 -0.52 3.45 5.04 -0.92 -4.90 115.29 117.15 3iwk s HIS 228 Ca 0.09 0.46 0.23 0.00 -1.54 0.00 0.00 55.06 54.30 3iwk s HIS 228 Cb 0.10 -4.01 0.96 0.00 0.04 0.00 0.00 32.58 29.67 3iwk s HIS 228 CO 0.61 -3.82 1.70 -0.35 -2.34 0.00 0.00 174.74 170.53 3iwk n PRO 229 N 4.34 0.18 -0.15 2.88 -0.04 -1.26 -2.63 135.00 138.32 3iwk n PRO 229 Ca 0.15 0.41 0.11 0.00 -0.04 0.00 0.00 63.50 64.13 3iwk n PRO 229 Cb 0.38 -1.85 0.18 0.00 -0.04 0.00 0.00 33.50 32.18 3iwk n PRO 229 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3iwk n ASP 230 N -2.19 3.29 -4.69 3.54 8.00 -1.26 -4.88 116.55 118.36 3iwk n ASP 230 Ca 0.02 -1.96 -0.42 0.00 0.71 0.00 0.00 54.79 53.14 3iwk n ASP 230 Cb 0.23 -0.20 -0.03 0.00 -0.02 0.00 0.00 41.12 41.10 3iwk n ASP 230 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3iwk s VAL 231 N -1.50 4.70 0.06 2.53 1.01 -1.08 -4.69 120.40 121.44 3iwk s VAL 231 Ca 0.35 1.98 0.07 0.00 0.00 0.00 0.00 61.98 64.37 3iwk s VAL 231 Cb 0.21 -4.27 -0.23 0.00 0.00 0.00 0.00 36.38 32.09 3iwk s VAL 231 CO 0.30 0.01 1.05 0.44 0.00 0.00 0.00 175.10 176.90 3iwk h ASP 232 N 7.14 0.07 -4.04 3.32 3.32 -0.91 -3.48 116.42 121.84 3iwk h ASP 232 Ca -0.32 -0.10 -0.10 0.00 0.02 0.00 0.00 57.03 56.54 3iwk h ASP 232 Cb 1.15 -0.02 -0.23 0.00 0.22 0.00 0.00 39.33 40.45 3iwk h ASP 232 CO 0.86 1.08 -0.13 -0.75 -1.72 0.00 0.00 179.24 178.57 3iwk s LYS 233 N -2.66 0.60 -0.15 3.56 2.47 -1.15 -4.20 119.74 118.22 3iwk s LYS 233 Ca -0.02 0.60 -0.00 0.00 -1.56 0.00 0.00 55.97 54.99 3iwk s LYS 233 Cb 0.09 0.29 -0.01 0.00 -1.46 0.00 0.00 37.83 36.74 3iwk s LYS 233 CO 0.83 -0.09 -0.14 0.42 0.16 0.00 0.00 175.35 176.53 3iwk s ILE 234 N 0.08 2.83 -0.18 5.43 1.01 -0.78 -1.38 121.20 128.21 3iwk s ILE 234 Ca -0.01 -0.72 -0.03 0.00 0.00 0.00 0.00 60.65 59.88 3iwk s ILE 234 Cb -0.03 -2.19 -0.02 0.00 0.01 0.00 0.00 42.46 40.22 3iwk s ILE 234 CO 0.01 0.51 -0.06 -0.55 0.00 0.00 0.00 174.94 174.86 3iwk s SER 235 N 0.66 4.44 -0.06 3.58 0.15 -0.13 -1.54 113.70 120.80 3iwk s SER 235 Ca -0.07 -0.28 -0.01 0.00 0.70 0.00 0.00 55.95 56.30 3iwk s SER 235 Cb -0.16 -1.73 0.03 0.00 -1.71 0.00 0.00 66.02 62.45 3iwk s SER 235 CO 0.02 0.09 -0.00 0.12 1.20 0.00 0.00 173.24 174.67 3iwk s PHE 236 N 0.81 0.57 -0.16 3.44 5.36 -0.33 -1.39 117.98 126.29 3iwk s PHE 236 Ca -0.02 -0.11 -0.00 0.00 -0.96 0.00 0.00 56.93 55.84 3iwk s PHE 236 Cb -0.15 -0.69 -0.01 0.00 -0.34 0.00 0.00 43.02 41.84 3iwk s PHE 236 CO 0.02 -0.26 -0.13 0.99 -1.46 0.00 0.00 175.22 174.37 3iwk s THR 237 N 1.65 2.85 -2.89 0.12 2.01 -0.84 -1.22 115.64 117.31 3iwk s THR 237 Ca -0.00 -0.71 0.00 0.00 0.31 0.00 0.00 61.69 61.29 3iwk s THR 237 Cb -0.13 -2.22 0.00 0.00 0.01 0.00 0.00 72.50 70.17 3iwk s THR 237 CO -0.04 0.51 0.00 0.61 -0.69 0.00 0.00 174.62 175.01 3iwk n GLY 238 N 4.01 -0.52 3.78 4.40 0.00 -1.01 -3.33 105.19 112.52 3iwk n GLY 238 Ca -0.19 -0.90 -0.34 0.00 0.00 0.00 0.00 46.02 44.59 3iwk n GLY 238 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3iwk s SER 239 N -4.00 5.65 0.40 1.61 1.04 -1.26 -3.59 113.70 113.54 3iwk s SER 239 Ca 0.00 2.09 0.08 0.00 0.48 0.00 0.00 55.95 58.60 3iwk s SER 239 Cb 0.00 -2.57 0.86 0.00 0.10 0.00 0.00 66.02 64.41 3iwk s SER 239 CO 0.00 -1.27 2.02 -1.28 0.98 0.00 0.00 173.24 173.69 3iwk h SER 240 N 0.92 0.51 -0.04 7.02 0.87 -1.92 -0.88 113.55 120.03 3iwk h SER 240 Ca -0.49 -0.00 -0.26 0.00 -1.23 0.00 0.00 61.79 59.81 3iwk h SER 240 Cb 1.25 -0.12 0.02 0.00 -0.44 0.00 0.00 62.40 63.11 3iwk h SER 240 CO 0.56 0.35 -0.97 0.00 -0.53 0.00 0.00 176.83 176.24 3iwk h ALA 241 N 1.69 0.18 -0.31 6.23 0.00 -1.98 -2.84 119.26 122.23 3iwk h ALA 241 Ca 0.22 -0.67 -0.16 0.00 0.00 0.00 0.00 54.91 54.30 3iwk h ALA 241 Cb 0.14 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3iwk h ALA 241 CO -0.06 0.69 -0.43 1.15 0.00 0.00 0.00 179.25 180.59 3iwk h THR 242 N 0.44 1.28 -0.71 0.00 2.02 -1.89 -2.66 112.91 111.40 3iwk h THR 242 Ca -0.11 -1.62 0.13 0.00 0.77 0.00 0.00 66.41 65.58 3iwk h THR 242 Cb 1.62 1.50 -0.09 0.00 -1.74 0.00 0.00 68.15 69.44 3iwk h THR 242 CO 0.19 0.53 0.27 1.23 0.37 0.00 0.00 175.52 178.11 3iwk h GLY 243 N 0.87 1.04 1.00 2.16 0.00 -1.18 0.10 103.07 107.07 3iwk h GLY 243 Ca 0.04 -0.14 -0.06 0.00 0.00 0.00 0.00 47.33 47.18 3iwk h GLY 243 CO 0.10 -0.07 0.13 0.23 0.00 0.00 0.00 176.54 176.92 3iwk h SER 244 N 0.43 0.84 -0.91 0.19 0.87 -1.39 -1.89 113.55 111.69 3iwk h SER 244 Ca 0.38 -0.24 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 3iwk h SER 244 Cb 0.54 -0.22 -0.04 0.00 -0.44 0.00 0.00 62.40 62.23 3iwk h SER 244 CO -0.37 0.86 0.59 0.11 -0.53 0.00 0.00 176.83 177.48 3iwk h LYS 245 N 0.78 1.21 -0.11 2.24 1.57 -0.97 -1.45 116.57 119.84 3iwk h LYS 245 Ca 0.17 -0.08 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 3iwk h LYS 245 Cb 0.35 -0.27 -0.00 0.00 0.08 0.00 0.00 32.23 32.39 3iwk h LYS 245 CO 0.00 0.82 0.04 0.82 -0.57 0.00 0.00 179.45 180.57 3iwk h ILE 246 N 1.25 1.14 -0.46 1.86 1.08 -0.48 -1.74 117.51 120.16 3iwk h ILE 246 Ca 0.33 -0.41 -0.10 0.00 -0.39 0.00 0.00 64.86 64.29 3iwk h ILE 246 Cb -0.12 1.22 -0.02 0.00 -3.07 0.00 0.00 36.82 34.84 3iwk h ILE 246 CO -0.07 0.12 -0.10 -0.03 -0.69 0.00 0.00 178.15 177.39 3iwk h MET 247 N 0.02 0.82 -0.75 2.37 4.05 -1.22 0.13 114.93 120.35 3iwk h MET 247 Ca 0.04 -0.27 -0.02 0.00 -0.28 0.00 0.00 59.70 59.16 3iwk h MET 247 Cb 0.16 -0.07 -0.04 0.00 -0.80 0.00 0.00 31.60 30.85 3iwk h MET 247 CO -0.00 0.89 0.38 1.15 0.23 0.00 0.00 176.91 179.55 3iwk h THR 248 N 0.74 1.23 -0.11 -0.77 2.02 -1.19 0.12 112.91 114.95 3iwk h THR 248 Ca 0.13 -0.63 -0.07 0.00 0.77 0.00 0.00 66.41 66.61 3iwk h THR 248 Cb 0.59 0.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.25 3iwk h THR 248 CO 0.04 0.27 -0.19 0.74 0.37 0.00 0.00 175.52 176.75 3iwk h THR 249 N 1.06 1.38 -0.99 3.16 2.02 -0.81 -3.19 112.91 115.55 3iwk h THR 249 Ca 0.26 -1.45 0.15 0.00 0.77 0.00 0.00 66.41 66.14 3iwk h THR 249 Cb 0.08 2.07 -0.09 0.00 -1.74 0.00 0.00 68.15 68.47 3iwk h THR 249 CO -0.04 0.42 0.62 0.00 0.37 0.00 0.00 175.52 176.89 3iwk h ALA 250 N 0.53 1.64 0.00 6.16 0.00 -0.36 -1.85 119.26 125.38 3iwk h ALA 250 Ca 0.01 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3iwk h ALA 250 Cb 0.77 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 3iwk h ALA 250 CO 0.04 0.07 -0.06 0.00 0.00 0.00 0.00 179.25 179.31 3iwk h ALA 251 N 1.59 1.64 -0.74 0.00 0.00 -0.76 0.43 119.26 121.43 3iwk h ALA 251 Ca 0.52 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.46 3iwk h ALA 251 Cb 0.68 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.41 3iwk h ALA 251 CO -0.29 0.07 0.48 1.96 0.00 0.00 0.00 179.25 181.47 3iwk h GLN 252 N 0.00 0.65 0.00 0.00 1.08 -1.38 -2.70 115.11 112.77 3iwk h GLN 252 Ca -0.00 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.15 3iwk h GLN 252 Cb 0.12 -0.15 -0.02 0.00 -0.05 0.00 0.00 27.48 27.38 3iwk h GLN 252 CO 0.01 0.43 -0.24 1.28 -0.95 0.00 0.00 178.83 179.36 3iwk n LEU 253 N -4.49 1.96 -3.85 1.46 4.77 -0.94 -5.02 117.00 110.89 3iwk n LEU 253 Ca 0.12 -2.85 -0.28 0.00 -0.03 0.00 0.00 56.01 52.97 3iwk n LEU 253 Cb 0.31 -0.35 0.01 0.00 -2.33 0.00 0.00 43.42 41.05 3iwk n LEU 253 CO 0.33 0.76 -0.17 0.52 -1.33 0.00 0.00 177.39 177.50 3iwk n VAL 254 N -1.03 -4.09 -3.62 4.08 0.31 -0.16 -4.95 118.33 108.87 3iwk n VAL 254 Ca 0.13 -0.66 -0.36 0.00 -0.01 0.00 0.00 64.34 63.44 3iwk n VAL 254 Cb 0.69 -3.29 -0.07 0.00 -0.91 0.00 0.00 33.84 30.26 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 -6.35 4.07 0.34 5.55 1.02 -0.04 -4.98 119.74 119.35 3iwk s LYS 255 Ca 0.18 0.05 -0.29 0.00 0.02 0.00 0.00 55.97 55.93 3iwk s LYS 255 Cb -0.07 -3.36 -0.10 0.00 -0.52 0.00 0.00 37.83 33.78 3iwk s LYS 255 CO 0.88 0.39 1.36 -1.25 -0.92 0.00 0.00 175.35 175.81 3iwk s PRO 256 N 0.01 4.28 0.21 -1.68 0.04 -1.26 -4.62 135.00 131.99 3iwk s PRO 256 Ca 0.16 2.32 0.11 0.00 0.04 0.00 0.00 61.00 63.62 3iwk s PRO 256 Cb -0.13 -3.04 -0.05 0.00 0.04 0.00 0.00 34.50 31.32 3iwk s PRO 256 CO 0.04 -0.29 -0.21 0.14 0.04 0.00 0.00 177.00 176.73 3iwk s VAL 257 N -1.11 2.20 -0.07 -0.36 -7.23 -1.26 -1.87 120.40 110.70 3iwk s VAL 257 Ca 0.50 -2.13 0.04 0.00 -1.81 0.00 0.00 61.98 58.59 3iwk s VAL 257 Cb -0.42 -2.10 -0.00 0.00 0.56 0.00 0.00 36.38 34.43 3iwk s VAL 257 CO 0.56 -0.29 -0.21 -0.94 -0.31 0.00 0.00 175.10 173.91 3iwk s SER 258 N -2.96 2.64 -0.11 4.85 1.04 -0.59 -4.92 113.70 113.64 3iwk s SER 258 Ca 0.22 -0.45 0.01 0.00 0.48 0.00 0.00 55.95 56.21 3iwk s SER 258 Cb -0.06 -0.94 0.02 0.00 0.10 0.00 0.00 66.02 65.14 3iwk s SER 258 CO 0.10 0.16 -0.11 -0.76 0.98 0.00 0.00 173.24 173.61 3iwk s LEU 259 N 0.16 1.48 -0.32 2.42 1.43 -0.86 -1.19 118.68 121.80 3iwk s LEU 259 Ca -0.10 -0.37 0.02 0.00 -1.03 0.00 0.00 54.13 52.65 3iwk s LEU 259 Cb -0.15 -0.96 0.08 0.00 0.03 0.00 0.00 46.19 45.19 3iwk s LEU 259 CO 0.05 -0.05 0.01 -1.61 0.23 0.00 0.00 176.35 174.97 3iwk s GLU 260 N 1.35 1.99 0.00 1.70 2.02 -0.36 -1.66 118.70 123.74 3iwk s GLU 260 Ca -0.00 -1.58 0.00 0.00 0.02 0.00 0.00 54.97 53.41 3iwk s GLU 260 Cb -0.14 -3.15 0.00 0.00 0.10 0.00 0.00 34.13 30.94 3iwk s GLU 260 CO -0.06 -0.77 0.00 1.28 0.02 0.00 0.00 175.26 175.73 3iwk n LEU 261 N 4.43 0.00 0.00 1.80 4.77 0.43 -2.40 117.00 126.03 3iwk n LEU 261 Ca -0.06 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 55.92 3iwk n LEU 261 Cb 0.42 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 3iwk n LEU 261 CO 0.24 -0.09 0.00 0.61 -1.33 0.00 0.00 177.39 176.83 3iwk n GLY 262 N 5.00 -2.71 3.79 -0.72 0.00 -1.24 -4.84 105.19 104.48 3iwk n GLY 262 Ca 0.00 -1.40 -0.09 0.00 0.00 0.00 0.00 46.02 44.53 3iwk n GLY 262 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3iwk s GLY 263 N -2.40 0.40 -0.47 -0.02 0.00 -1.22 -4.44 107.32 99.17 3iwk s GLY 263 Ca 0.00 -0.77 0.06 0.00 0.00 0.00 0.00 44.72 44.02 3iwk s GLY 263 CO 0.00 -0.33 0.81 1.17 0.00 0.00 0.00 173.10 174.75 3iwk n LYS 264 N -0.53 0.76 -2.60 2.90 3.00 -1.26 -4.44 118.16 115.98 3iwk n LYS 264 Ca -0.08 -2.05 -0.40 0.00 -0.00 0.00 0.00 58.31 55.79 3iwk n LYS 264 Cb 0.60 -1.42 -0.05 0.00 0.00 0.00 0.00 35.03 34.16 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 -1.52 7.35 0.01 3.14 0.01 -1.13 -4.81 113.70 116.75 3iwk s SER 265 Ca 0.33 2.11 -0.08 0.00 1.31 0.00 0.00 55.95 59.61 3iwk s SER 265 Cb 0.21 -2.61 -0.05 0.00 0.21 0.00 0.00 66.02 63.78 3iwk s SER 265 CO -0.22 -0.07 0.29 -2.16 0.41 0.00 0.00 173.24 171.50 3iwk s PRO 266 N -1.50 3.63 -0.22 12.44 0.04 -1.26 -1.85 135.00 146.27 3iwk s PRO 266 Ca 0.45 0.00 -0.01 0.00 0.04 0.00 0.00 61.00 61.48 3iwk s PRO 266 Cb -0.28 -3.09 0.01 0.00 0.04 0.00 0.00 34.50 31.19 3iwk s PRO 266 CO 0.35 0.65 -0.10 -1.50 0.04 0.00 0.00 177.00 176.45 3iwk s ILE 267 N -1.27 2.77 -0.27 0.56 2.07 -0.25 0.11 121.20 124.92 3iwk s ILE 267 Ca 0.27 -0.86 -0.09 0.00 -1.41 0.00 0.00 60.65 58.56 3iwk s ILE 267 Cb -0.14 -2.30 -0.03 0.00 0.13 0.00 0.00 42.46 40.12 3iwk s ILE 267 CO 0.15 0.36 0.12 -0.69 -1.91 0.00 0.00 174.94 172.97 3iwk s VAL 268 N 1.35 4.69 -0.28 4.00 1.01 0.10 -0.86 120.40 130.43 3iwk s VAL 268 Ca 0.03 -0.07 -0.02 0.00 0.00 0.00 0.00 61.98 61.92 3iwk s VAL 268 Cb -0.15 -3.23 0.04 0.00 0.00 0.00 0.00 36.38 33.04 3iwk s VAL 268 CO -0.07 0.28 -0.02 -0.69 0.00 0.00 0.00 175.10 174.60 3iwk s VAL 269 N 1.67 2.98 0.73 2.92 1.01 -0.03 -0.38 120.40 129.30 3iwk s VAL 269 Ca 0.06 -1.21 -0.06 0.00 0.00 0.00 0.00 61.98 60.77 3iwk s VAL 269 Cb -0.16 -2.62 0.09 0.00 0.00 0.00 0.00 36.38 33.69 3iwk s VAL 269 CO 0.06 0.03 1.03 -0.36 0.00 0.00 0.00 175.10 175.87 3iwk s PHE 270 N 1.29 2.52 0.25 5.22 0.08 -0.82 -2.14 117.98 124.38 3iwk s PHE 270 Ca -0.03 0.27 0.06 0.00 0.12 0.00 0.00 56.93 57.36 3iwk s PHE 270 Cb -0.18 -3.25 0.29 0.00 -0.57 0.00 0.00 43.02 39.31 3iwk s PHE 270 CO -0.02 -1.58 1.58 1.05 -0.10 0.00 0.00 175.22 176.15 3iwk h GLU 271 N -0.67 0.16 -3.83 0.44 9.09 -1.93 -3.37 114.58 114.47 3iwk h GLU 271 Ca -0.43 -0.11 -0.64 0.00 0.05 0.00 0.00 59.36 58.23 3iwk h GLU 271 Cb 1.30 0.02 0.00 0.00 -1.65 0.00 0.00 28.75 28.42 3iwk h GLU 271 CO 0.53 0.71 3.01 -0.40 0.05 0.00 0.00 179.01 182.92 3iwk n ASP 272 N -3.86 4.69 -3.86 3.06 5.75 -1.26 -4.85 116.55 116.22 3iwk n ASP 272 Ca -0.02 -2.67 -0.12 0.00 -0.01 0.00 0.00 54.79 51.97 3iwk n ASP 272 Cb 0.61 -1.43 -0.13 0.00 -1.03 0.00 0.00 41.12 39.14 3iwk n ASP 272 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3iwk s VAL 273 N 3.46 0.01 -0.90 2.12 1.01 -1.26 -1.62 120.40 123.22 3iwk s VAL 273 Ca 0.53 -0.05 -0.24 0.00 0.00 0.00 0.00 61.98 62.21 3iwk s VAL 273 Cb 0.14 -0.10 -0.01 0.00 0.00 0.00 0.00 36.38 36.42 3iwk s VAL 273 CO -0.03 -0.03 1.75 -0.62 0.00 0.00 0.00 175.10 176.17 3iwk s ASP 274 N -0.07 5.63 0.31 3.32 -1.08 -1.26 -4.85 116.67 118.67 3iwk s ASP 274 Ca -0.01 -0.79 0.16 0.00 -0.52 0.00 0.00 52.55 51.40 3iwk s ASP 274 Cb -0.01 -2.56 0.88 0.00 -1.46 0.00 0.00 42.92 39.77 3iwk s ASP 274 CO 0.00 -2.28 1.44 0.18 0.52 0.00 0.00 175.17 175.03 3iwk n LEU 275 N 12.02 0.42 -0.01 -1.34 4.32 -1.26 -1.29 117.00 129.86 3iwk n LEU 275 Ca 0.34 0.64 -0.22 0.00 -0.02 0.00 0.00 56.01 56.75 3iwk n LEU 275 Cb 0.49 -0.64 -0.13 0.00 -1.62 0.00 0.00 43.42 41.51 3iwk n LEU 275 CO 0.64 -0.78 -0.69 0.44 -1.22 0.00 0.00 177.39 175.78 3iwk h ASP 276 N 0.00 0.34 0.58 -1.43 3.32 -2.00 -3.30 116.42 113.93 3iwk h ASP 276 Ca 0.00 -0.85 -0.21 0.00 0.02 0.00 0.00 57.03 55.99 3iwk h ASP 276 Cb 0.32 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 3iwk h ASP 276 CO 0.00 1.75 -0.93 0.11 -1.72 0.00 0.00 179.24 178.45 3iwk h LYS 277 N -0.20 0.22 0.00 3.56 1.57 -1.61 -3.20 116.57 116.91 3iwk h LYS 277 Ca -0.39 -0.25 0.00 0.00 -1.87 0.00 0.00 60.65 58.14 3iwk h LYS 277 Cb 1.85 0.08 0.00 0.00 0.08 0.00 0.00 32.23 34.24 3iwk h LYS 277 CO 0.03 1.00 -0.35 1.33 -0.57 0.00 0.00 179.45 180.88 3iwk n VAL 278 N -3.64 0.44 -0.16 0.50 0.24 -0.97 -3.66 118.33 111.09 3iwk n VAL 278 Ca -0.04 -0.27 -0.09 0.00 -2.04 0.00 0.00 64.34 61.91 3iwk n VAL 278 Cb 0.84 -0.32 0.00 0.00 -1.47 0.00 0.00 33.84 32.90 3iwk n VAL 278 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3iwk h ALA 279 N 2.54 0.59 -0.35 2.33 0.00 -1.62 -1.02 119.26 121.73 3iwk h ALA 279 Ca 0.00 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.79 3iwk h ALA 279 Cb 0.73 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 3iwk h ALA 279 CO 0.00 0.21 0.16 1.49 0.00 0.00 0.00 179.25 181.10 3iwk h GLU 280 N 0.59 0.32 -0.38 0.00 4.81 -1.65 -0.86 114.58 117.42 3iwk h GLU 280 Ca 0.15 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.40 3iwk h GLU 280 Cb 0.21 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.48 3iwk h GLU 280 CO -0.01 0.21 0.17 -1.49 -0.73 0.00 0.00 179.01 177.16 3iwk h TRP 281 N 0.33 0.31 -0.68 0.92 4.06 -1.56 0.57 115.95 119.90 3iwk h TRP 281 Ca 0.15 0.02 -0.01 0.00 2.06 0.00 0.00 58.89 61.10 3iwk h TRP 281 Cb 0.08 -0.08 -0.03 0.00 -1.00 0.00 0.00 29.16 28.13 3iwk h TRP 281 CO -0.11 0.15 0.37 1.15 -3.56 0.00 0.00 178.44 176.44 3iwk h THR 282 N 0.35 1.21 -0.32 1.49 2.02 -1.05 0.39 112.91 116.99 3iwk h THR 282 Ca 0.16 -0.54 -0.02 0.00 0.77 0.00 0.00 66.41 66.79 3iwk h THR 282 Cb 0.10 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 66.83 3iwk h THR 282 CO -0.13 0.23 0.12 0.58 0.37 0.00 0.00 175.52 176.69 3iwk h VAL 283 N 0.93 1.19 -0.46 3.16 2.07 -0.56 -2.95 116.25 119.63 3iwk h VAL 283 Ca 0.24 -0.59 -0.00 0.00 0.82 0.00 0.00 66.70 67.16 3iwk h VAL 283 Cb 0.04 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 3iwk h VAL 283 CO -0.04 0.20 0.28 0.15 0.02 0.00 0.00 177.57 178.19 3iwk h PHE 284 N 0.36 0.61 0.00 1.57 3.04 0.44 -0.21 116.94 122.75 3iwk h PHE 284 Ca 0.11 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.06 3iwk h PHE 284 Cb 0.20 -0.20 0.00 0.00 2.56 0.00 0.00 35.95 38.51 3iwk h PHE 284 CO -0.00 0.42 0.00 0.41 -2.02 0.00 0.00 178.31 177.12 3iwk n GLY 285 N -1.12 -0.85 0.00 2.40 0.00 0.13 -2.33 105.19 103.43 3iwk n GLY 285 Ca 0.02 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3iwk n GLY 285 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iwk n PHE 287 N -1.37 0.00 -1.72 0.00 0.99 -0.10 -3.88 117.46 111.37 3iwk n PHE 287 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 57.45 57.07 3iwk n PHE 287 Cb 0.22 -0.16 0.05 0.00 -1.00 0.00 0.00 39.48 38.59 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 -1.66 2.03 -3.30 1.38 -0.00 -0.98 -2.04 117.46 112.89 3iwk n PHE 288 Ca -0.00 0.43 -0.23 0.00 -0.00 0.00 0.00 57.45 57.65 3iwk n PHE 288 Cb 0.28 -2.31 0.01 0.00 -0.00 0.00 0.00 39.48 37.45 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 -1.28 -1.33 -2.68 -2.13 -1.04 -1.26 -0.88 114.28 103.69 3iwk n THR 289 Ca 0.12 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.94 3iwk n THR 289 Cb 0.45 -2.32 0.00 0.00 -1.82 0.00 0.00 70.33 66.64 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 -2.38 -5.20 0.00 8.00 3.02 -0.87 -1.87 115.26 115.97 3iwk n ASN 290 Ca -0.04 -0.07 0.00 0.00 -0.03 0.00 0.00 54.58 54.44 3iwk n ASN 290 Cb 0.56 -4.30 0.00 0.00 -0.61 0.00 0.00 39.78 35.43 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 -1.11 0.77 2.53 7.41 0.00 -0.06 -3.03 105.19 111.70 3iwk n GLY 291 Ca -0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 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 -2.17 4.77 -4.95 1.61 6.02 -0.78 -2.97 117.38 118.91 3iwk n GLN 292 Ca 0.00 -3.73 -0.33 0.00 -0.01 0.00 0.00 57.00 52.93 3iwk n GLN 292 Cb 0.01 -2.60 -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 -1.82 2.74 0.23 5.09 1.01 -1.26 -4.84 121.20 122.34 3iwk s ILE 293 Ca 0.50 -0.79 -0.07 0.00 0.00 0.00 0.00 60.65 60.29 3iwk s ILE 293 Cb 0.18 -2.10 0.18 0.00 0.01 0.00 0.00 42.46 40.73 3iwk s ILE 293 CO -0.10 0.55 1.82 0.00 0.00 0.00 0.00 174.94 177.21 3iwk n SER 295 N -4.74 4.46 -4.68 0.00 3.41 -1.26 -3.42 113.62 107.38 3iwk n SER 295 Ca 0.11 -3.11 -0.44 0.00 -0.26 0.00 0.00 58.87 55.17 3iwk n SER 295 Cb 0.20 -0.73 -0.03 0.00 -0.26 0.00 0.00 64.21 63.39 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 -0.18 1.83 -2.47 7.33 0.00 -0.98 -4.74 120.51 121.31 3iwk n ALA 296 Ca 0.38 0.32 -0.40 0.00 0.00 0.00 0.00 53.44 53.74 3iwk n ALA 296 Cb 1.31 -2.55 -0.02 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 2.84 3.98 -1.19 0.00 -4.23 0.11 -2.83 115.64 114.32 3iwk s THR 297 Ca 0.84 -1.59 0.25 0.00 -1.18 0.00 0.00 61.69 60.01 3iwk s THR 297 Cb -0.54 -5.04 0.02 0.00 1.34 0.00 0.00 72.50 68.28 3iwk s THR 297 CO 0.40 -1.80 1.36 -1.54 -0.54 0.00 0.00 174.62 172.50 3iwk n SER 298 N 9.72 0.73 -4.25 3.99 3.41 -0.77 -4.29 113.62 122.16 3iwk n SER 298 Ca 0.47 -0.53 -0.36 0.00 -0.26 0.00 0.00 58.87 58.18 3iwk n SER 298 Cb 0.47 0.35 -0.13 0.00 -0.26 0.00 0.00 64.21 64.63 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 -2.88 2.76 0.03 4.33 0.52 -1.04 -1.15 118.95 121.52 3iwk s ARG 299 Ca 0.13 -1.06 -0.21 0.00 -0.52 0.00 0.00 55.73 54.08 3iwk s ARG 299 Cb 0.18 -3.24 -0.06 0.00 0.52 0.00 0.00 34.95 32.35 3iwk s ARG 299 CO 0.69 -0.52 0.62 -1.17 0.02 0.00 0.00 175.30 174.93 3iwk s LEU 300 N 1.37 4.45 -0.30 2.53 0.20 0.19 -1.09 118.68 126.03 3iwk s LEU 300 Ca -0.01 1.24 0.01 0.00 0.69 0.00 0.00 54.13 56.06 3iwk s LEU 300 Cb -0.18 -2.97 0.09 0.00 -0.43 0.00 0.00 46.19 42.71 3iwk s LEU 300 CO -0.00 0.14 0.06 -0.63 -0.29 0.00 0.00 176.35 175.62 3iwk s ILE 301 N -0.43 1.41 -0.01 6.68 1.01 -0.04 -1.41 121.20 128.41 3iwk s ILE 301 Ca 0.32 -1.65 0.01 0.00 0.00 0.00 0.00 60.65 59.33 3iwk s ILE 301 Cb -0.19 -1.99 -0.04 0.00 0.01 0.00 0.00 42.46 40.25 3iwk s ILE 301 CO 0.19 -0.55 0.00 -0.69 0.00 0.00 0.00 174.94 173.89 3iwk s VAL 302 N 1.36 4.17 0.18 2.92 1.01 -0.68 -0.85 120.40 128.51 3iwk s VAL 302 Ca 0.07 -0.55 -0.30 0.00 0.00 0.00 0.00 61.98 61.20 3iwk s VAL 302 Cb -0.18 -2.84 -0.08 0.00 0.00 0.00 0.00 36.38 33.28 3iwk s VAL 302 CO -0.16 0.41 1.23 -2.28 0.00 0.00 0.00 175.10 174.30 3iwk s HIS 303 N -1.05 3.38 0.49 5.22 2.46 -0.91 -1.24 115.29 123.63 3iwk s HIS 303 Ca 0.19 1.36 0.24 0.00 0.47 0.00 0.00 55.06 57.31 3iwk s HIS 303 Cb -0.11 -3.48 1.29 0.00 -0.13 0.00 0.00 32.58 30.15 3iwk s HIS 303 CO 0.09 -1.41 1.92 1.05 -2.47 0.00 0.00 174.74 173.92 3iwk h GLU 304 N 5.34 0.16 0.00 2.88 4.11 -1.59 -1.81 114.58 123.66 3iwk h GLU 304 Ca -0.44 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 58.98 3iwk h GLU 304 Cb 1.21 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.43 3iwk h GLU 304 CO 0.76 0.11 0.00 0.66 0.07 0.00 0.00 179.01 180.60 3iwk h SER 305 N 0.16 0.00 0.00 3.06 4.64 -1.91 -3.08 113.55 116.42 3iwk h SER 305 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 3iwk h SER 305 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3iwk h SER 305 CO -0.06 0.00 -0.15 2.30 -0.87 0.00 0.00 176.83 178.05 3iwk n ILE 306 N -2.69 0.00 -0.31 0.95 -5.35 -0.91 -4.87 119.36 106.18 3iwk n ILE 306 Ca 0.00 -0.29 0.16 0.00 -0.27 0.00 0.00 62.75 62.34 3iwk n ILE 306 Cb 0.19 0.87 0.32 0.00 -1.74 0.00 0.00 39.64 39.29 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 1.34 -0.47 -1.28 0.00 -1.25 0.30 119.26 117.91 3iwk h ALA 307 Ca 0.00 0.27 -0.09 0.00 0.00 0.00 0.00 54.91 55.09 3iwk h ALA 307 Cb 0.00 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 3iwk h ALA 307 CO 0.00 -0.56 -0.05 -0.24 0.00 0.00 0.00 179.25 178.40 3iwk h VAL 308 N 0.12 1.27 0.00 0.00 3.04 -1.89 -2.92 116.25 115.86 3iwk h VAL 308 Ca 0.60 -1.14 -0.00 0.00 -1.01 0.00 0.00 66.70 65.15 3iwk h VAL 308 Cb 1.28 1.07 -0.00 0.00 -2.01 0.00 0.00 31.29 31.63 3iwk h VAL 308 CO -0.76 0.39 -1.08 -1.84 -1.01 0.00 0.00 177.57 173.28 3iwk n GLU 309 N -4.31 0.61 0.06 4.17 0.28 -0.05 -3.41 120.64 117.99 3iwk n GLU 309 Ca 0.00 0.10 -0.08 0.00 -0.16 0.00 0.00 57.16 57.02 3iwk n GLU 309 Cb 0.34 -1.81 -0.06 0.00 1.43 0.00 0.00 31.44 31.35 3iwk n GLU 309 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 3iwk h PHE 310 N 0.00 -0.22 -1.02 -1.84 3.57 -0.57 -2.87 116.94 113.98 3iwk h PHE 310 Ca -0.00 -0.01 0.26 0.00 3.53 0.00 0.00 57.97 61.75 3iwk h PHE 310 Cb 1.01 0.07 -0.08 0.00 2.79 0.00 0.00 35.95 39.74 3iwk h PHE 310 CO 0.00 0.10 0.68 0.28 -2.23 0.00 0.00 178.31 177.14 3iwk h VAL 311 N -0.98 0.54 -0.70 1.41 2.07 -1.69 0.18 116.25 117.08 3iwk h VAL 311 Ca -0.02 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 3iwk h VAL 311 Cb 0.43 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 3iwk h VAL 311 CO 0.04 0.06 0.42 -0.78 0.02 0.00 0.00 177.57 177.33 3iwk h ASP 312 N 0.33 0.84 0.09 0.57 3.58 -1.58 -2.46 116.42 117.78 3iwk h ASP 312 Ca 0.56 -0.07 -0.14 0.00 0.42 0.00 0.00 57.03 57.80 3iwk h ASP 312 Cb 1.54 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 42.37 3iwk h ASP 312 CO -0.22 0.66 -0.50 0.11 -2.88 0.00 0.00 179.24 176.41 3iwk h LYS 313 N 0.95 0.47 -0.84 0.28 1.57 -0.46 -3.13 116.57 115.42 3iwk h LYS 313 Ca 0.25 -0.28 0.06 0.00 -1.87 0.00 0.00 60.65 58.81 3iwk h LYS 313 Cb -0.02 0.02 -0.06 0.00 0.08 0.00 0.00 32.23 32.25 3iwk h LYS 313 CO -0.05 0.87 0.52 -0.07 -0.57 0.00 0.00 179.45 180.15 3iwk h LEU 314 N 0.37 0.82 -0.58 2.94 4.07 -0.99 -2.59 115.31 119.36 3iwk h LEU 314 Ca 0.02 0.02 0.08 0.00 0.08 0.00 0.00 57.88 58.07 3iwk h LEU 314 Cb 1.01 -0.16 -0.06 0.00 1.08 0.00 0.00 40.66 42.53 3iwk h LEU 314 CO 0.09 0.53 0.24 0.58 -1.08 0.00 0.00 178.44 178.80 3iwk h VAL 315 N 0.96 0.83 0.00 1.22 2.07 -1.39 -0.35 116.25 119.59 3iwk h VAL 315 Ca 0.36 -0.15 -0.12 0.00 0.82 0.00 0.00 66.70 67.61 3iwk h VAL 315 Cb 0.15 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.25 3iwk h VAL 315 CO -0.17 0.08 -0.58 0.11 0.02 0.00 0.00 177.57 177.03 3iwk h LYS 316 N 0.45 0.00 -0.16 1.57 1.57 -1.53 -0.94 116.57 117.52 3iwk h LYS 316 Ca 0.28 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.97 3iwk h LYS 316 Cb 0.30 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 3iwk h LYS 316 CO -0.26 0.58 -0.24 -1.49 -0.57 0.00 0.00 179.45 177.47 3iwk h TRP 317 N 0.00 0.56 -0.48 -1.35 4.06 -1.26 -3.04 115.95 114.44 3iwk h TRP 317 Ca -0.01 -0.19 -0.02 0.00 2.06 0.00 0.00 58.89 60.74 3iwk h TRP 317 Cb 1.23 -0.11 -0.02 0.00 -1.00 0.00 0.00 29.16 29.25 3iwk h TRP 317 CO 0.00 0.87 0.21 0.00 -3.56 0.00 0.00 178.44 175.96 3iwk h ALA 318 N 0.59 1.47 -0.01 1.49 0.00 -0.82 -2.52 119.26 119.47 3iwk h ALA 318 Ca 0.02 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3iwk h ALA 318 Cb 0.81 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3iwk h ALA 318 CO 0.06 0.41 -0.23 0.39 0.00 0.00 0.00 179.25 179.88 3iwk n GLU 319 N -4.37 0.65 0.00 0.00 1.02 -0.38 -3.54 120.64 114.02 3iwk n GLU 319 Ca 0.04 -0.33 0.12 0.00 -0.02 0.00 0.00 57.16 56.97 3iwk n GLU 319 Cb 0.14 -1.49 0.19 0.00 -0.02 0.00 0.00 31.44 30.26 3iwk n GLU 319 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 3iwk n ASN 320 N -0.89 1.47 -4.64 1.62 5.15 -0.95 -4.91 115.26 112.11 3iwk n ASN 320 Ca 0.12 -1.16 -0.43 0.00 -0.60 0.00 0.00 54.58 52.50 3iwk n ASN 320 Cb 0.32 0.31 -0.02 0.00 -0.53 0.00 0.00 39.78 39.86 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 -2.51 4.09 -0.25 -1.44 1.01 -1.20 -4.97 121.20 115.94 3iwk s ILE 321 Ca 0.21 1.26 -0.29 0.00 0.00 0.00 0.00 60.65 61.84 3iwk s ILE 321 Cb 0.19 -4.03 -0.03 0.00 0.01 0.00 0.00 42.46 38.59 3iwk s ILE 321 CO 0.55 -0.35 1.89 -0.75 0.00 0.00 0.00 174.94 176.28 3iwk s LYS 322 N 4.08 3.42 -0.61 2.79 2.20 -1.26 -4.87 119.74 125.49 3iwk s LYS 322 Ca 0.59 1.72 -0.14 0.00 -0.36 0.00 0.00 55.97 57.78 3iwk s LYS 322 Cb -0.20 -4.21 0.15 0.00 -1.51 0.00 0.00 37.83 32.06 3iwk s LYS 322 CO 0.22 -1.76 0.55 -1.50 -0.36 0.00 0.00 175.35 172.50 3iwk s ILE 323 N 6.80 5.16 0.30 5.43 1.10 -1.26 -1.21 121.20 137.52 3iwk s ILE 323 Ca 0.85 -1.81 0.04 0.00 -0.51 0.00 0.00 60.65 59.22 3iwk s ILE 323 Cb -0.27 -4.28 -0.01 0.00 0.15 0.00 0.00 42.46 38.04 3iwk s ILE 323 CO 0.34 -0.90 0.31 -1.54 -2.11 0.00 0.00 174.94 171.04 3iwk n SER 324 N 4.85 -0.82 -4.68 4.50 3.41 -1.05 -4.94 113.62 114.89 3iwk n SER 324 Ca -0.06 -2.85 -0.45 0.00 -0.26 0.00 0.00 58.87 55.25 3iwk n SER 324 Cb 0.42 1.73 -0.03 0.00 -0.26 0.00 0.00 64.21 66.07 3iwk n SER 324 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3iwk n ASP 325 N -1.79 3.06 0.30 4.04 2.03 -1.26 -4.40 116.55 118.52 3iwk n ASP 325 Ca 0.05 1.11 0.18 0.00 0.52 0.00 0.00 54.79 56.65 3iwk n ASP 325 Cb 0.53 -1.44 0.98 0.00 -0.72 0.00 0.00 41.12 40.46 3iwk n ASP 325 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3iwk h PRO 326 N 5.29 0.00 -0.01 -0.67 0.11 -1.87 -0.02 132.00 134.84 3iwk h PRO 326 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3iwk h PRO 326 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3iwk h PRO 326 CO 0.84 0.00 -0.21 1.28 -0.21 0.00 0.00 178.00 179.69 3iwk n LEU 327 N -2.85 0.91 -4.82 2.35 4.77 -1.26 -1.27 117.00 114.82 3iwk n LEU 327 Ca -0.02 -0.20 -0.36 0.00 -0.03 0.00 0.00 56.01 55.39 3iwk n LEU 327 Cb 0.16 -0.13 -0.06 0.00 -2.33 0.00 0.00 43.42 41.06 3iwk n LEU 327 CO 0.16 0.17 0.40 -0.70 -1.33 0.00 0.00 177.39 176.09 3iwk s GLU 328 N -2.48 4.22 0.24 3.23 2.12 -0.02 -5.01 118.70 120.99 3iwk s GLU 328 Ca 0.26 0.82 -0.31 0.00 0.36 0.00 0.00 54.97 56.10 3iwk s GLU 328 Cb 0.19 -2.87 -0.11 0.00 0.26 0.00 0.00 34.13 31.60 3iwk s GLU 328 CO 0.50 0.40 1.58 -2.00 -0.54 0.00 0.00 175.26 175.20 3iwk s GLU 329 N -2.00 4.17 0.00 4.30 2.12 -1.26 -2.61 118.70 123.43 3iwk s GLU 329 Ca 0.43 2.48 0.00 0.00 0.36 0.00 0.00 54.97 58.23 3iwk s GLU 329 Cb -0.16 -3.08 0.00 0.00 0.26 0.00 0.00 34.13 31.14 3iwk s GLU 329 CO 0.21 -0.61 0.00 0.41 -0.54 0.00 0.00 175.26 174.73 3iwk n GLY 330 N 2.91 0.81 3.67 -1.50 0.00 -1.26 -4.99 105.19 104.84 3iwk n GLY 330 Ca 0.11 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.68 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 6.83 1.72 -3.69 0.00 5.12 -0.35 -4.76 116.66 121.54 3iwk n ARG 332 Ca 0.21 -0.70 -0.10 0.00 -1.93 0.00 0.00 57.85 55.33 3iwk n ARG 332 Cb 0.36 -1.09 -0.10 0.00 -1.16 0.00 0.00 32.46 30.46 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 -1.41 -0.22 0.00 0.55 2.96 -0.84 -4.89 118.68 114.83 3iwk s LEU 333 Ca 0.09 1.01 0.01 0.00 -0.22 0.00 0.00 54.13 55.01 3iwk s LEU 333 Cb 0.08 1.55 0.01 0.00 0.50 0.00 0.00 46.19 48.32 3iwk s LEU 333 CO 0.21 -0.20 0.05 0.61 -1.32 0.00 0.00 176.35 175.70 3iwk n GLY 334 N 4.17 2.36 3.92 7.98 0.00 -1.26 -2.53 105.19 119.82 3iwk n GLY 334 Ca -0.22 -2.15 -0.26 0.00 0.00 0.00 0.00 46.02 43.39 3iwk n GLY 334 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3iwk s PRO 335 N -2.18 2.92 0.54 1.61 0.04 -1.21 -4.76 135.00 131.96 3iwk s PRO 335 Ca 0.04 -0.09 -0.20 0.00 0.04 0.00 0.00 61.00 60.78 3iwk s PRO 335 Cb -0.00 -2.31 -0.05 0.00 0.04 0.00 0.00 34.50 32.17 3iwk s PRO 335 CO 0.02 -0.65 1.17 0.42 0.04 0.00 0.00 177.00 178.00 3iwk s ILE 336 N -2.93 2.92 0.27 0.56 -1.09 0.12 -4.72 121.20 116.33 3iwk s ILE 336 Ca 0.53 0.60 -0.04 0.00 -2.23 0.00 0.00 60.65 59.52 3iwk s ILE 336 Cb -0.10 -3.26 0.24 0.00 -1.58 0.00 0.00 42.46 37.75 3iwk s ILE 336 CO 0.44 -0.10 1.92 1.62 -1.23 0.00 0.00 174.94 177.59 3iwk h VAL 337 N 1.25 1.23 -4.57 2.92 3.04 -1.89 -3.43 116.25 114.81 3iwk h VAL 337 Ca -0.50 -0.51 -0.30 0.00 -1.01 0.00 0.00 66.70 64.38 3iwk h VAL 337 Cb 1.27 0.06 -0.13 0.00 -2.01 0.00 0.00 31.29 30.48 3iwk h VAL 337 CO 0.57 0.24 -0.50 -0.94 -1.01 0.00 0.00 177.57 175.93 3iwk s SER 338 N -6.29 0.66 0.03 3.17 1.04 -1.26 -4.54 113.70 106.50 3iwk s SER 338 Ca -0.12 -1.47 -0.22 0.00 0.48 0.00 0.00 55.95 54.62 3iwk s SER 338 Cb 0.17 0.48 -0.16 0.00 0.10 0.00 0.00 66.02 66.61 3iwk s SER 338 CO 0.81 -0.97 1.38 -0.08 0.98 0.00 0.00 173.24 175.35 3iwk h GLU 339 N 2.40 0.20 -0.75 4.02 4.81 -1.97 -1.52 114.58 121.77 3iwk h GLU 339 Ca -0.31 -0.09 0.07 0.00 -0.13 0.00 0.00 59.36 58.90 3iwk h GLU 339 Cb 1.24 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.57 3iwk h GLU 339 CO 0.45 0.56 0.49 0.00 -0.73 0.00 0.00 179.01 179.78 3iwk h ALA 340 N 0.64 1.70 0.03 2.92 0.00 -1.99 -0.50 119.26 122.07 3iwk h ALA 340 Ca 0.02 -0.02 -0.24 0.00 0.00 0.00 0.00 54.91 54.67 3iwk h ALA 340 Cb 0.50 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.10 3iwk h ALA 340 CO 0.01 0.18 -1.02 1.96 0.00 0.00 0.00 179.25 180.38 3iwk h GLN 341 N 0.77 0.42 -0.21 0.00 1.08 -1.97 -2.70 115.11 112.50 3iwk h GLN 341 Ca 0.33 -0.49 -0.00 0.00 -1.45 0.00 0.00 58.65 57.03 3iwk h GLN 341 Cb 0.29 0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.86 3iwk h GLN 341 CO -0.11 1.16 0.13 -0.92 -0.95 0.00 0.00 178.83 178.13 3iwk h TYR 342 N 0.22 0.27 0.00 2.96 3.20 -0.57 -0.57 116.97 122.48 3iwk h TYR 342 Ca -0.10 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.72 3iwk h TYR 342 Cb 1.67 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 39.84 3iwk h TYR 342 CO 0.07 0.21 -0.25 0.87 -1.64 0.00 0.00 178.16 177.42 3iwk h LYS 343 N 0.25 0.00 0.11 1.82 1.57 -1.16 -1.56 116.57 117.61 3iwk h LYS 343 Ca 0.07 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.58 3iwk h LYS 343 Cb 0.02 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.32 3iwk h LYS 343 CO -0.01 0.25 -1.26 0.87 -0.57 0.00 0.00 179.45 178.73 3iwk h LYS 344 N 0.00 0.24 -0.56 3.15 1.57 -1.25 -2.38 116.57 117.33 3iwk h LYS 344 Ca -0.00 -0.40 -0.11 0.00 -1.87 0.00 0.00 60.65 58.26 3iwk h LYS 344 Cb 0.60 0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.04 3iwk h LYS 344 CO 0.03 1.18 -0.08 0.28 -0.57 0.00 0.00 179.45 180.29 3iwk h VAL 345 N 0.06 1.27 -0.23 0.50 2.07 -0.83 -2.82 116.25 116.28 3iwk h VAL 345 Ca -0.14 -1.23 -0.12 0.00 0.82 0.00 0.00 66.70 66.04 3iwk h VAL 345 Cb 1.96 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 32.62 3iwk h VAL 345 CO 0.19 0.44 -0.35 -0.07 0.02 0.00 0.00 177.57 177.80 3iwk h LEU 346 N 0.93 0.51 -1.22 2.57 3.38 -1.36 -3.01 115.31 117.12 3iwk h LEU 346 Ca 0.15 -0.21 -0.07 0.00 0.09 0.00 0.00 57.88 57.84 3iwk h LEU 346 Cb 0.64 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 3iwk h LEU 346 CO 0.04 0.83 -0.35 0.78 0.09 0.00 0.00 178.44 179.83 3iwk h ASN 347 N 0.42 0.00 0.10 -0.43 2.35 -1.31 -1.02 115.58 115.70 3iwk h ASN 347 Ca 0.05 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.59 3iwk h ASN 347 Cb 0.81 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.18 3iwk h ASN 347 CO 0.07 0.35 -0.80 0.00 -1.65 0.00 0.00 177.43 175.40 3iwk h ILE 349 N 0.38 1.23 0.00 0.00 2.04 -1.35 -2.36 117.51 117.45 3iwk h ILE 349 Ca -0.05 -0.78 0.00 0.00 1.00 0.00 0.00 64.86 65.03 3iwk h ILE 349 Cb 1.41 1.32 0.00 0.00 -0.74 0.00 0.00 36.82 38.81 3iwk h ILE 349 CO 0.15 0.24 0.00 0.77 0.00 0.00 0.00 178.15 179.31 3iwk h SER 350 N 0.16 0.00 1.13 1.72 4.64 -1.25 -1.91 113.55 118.04 3iwk h SER 350 Ca 0.07 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.24 3iwk h SER 350 Cb 0.34 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.41 3iwk h SER 350 CO 0.01 0.00 -0.68 0.28 -0.87 0.00 0.00 176.83 175.57 3iwk h SER 351 N 0.00 0.00 0.03 4.97 0.02 -1.17 -2.78 113.55 114.63 3iwk h SER 351 Ca 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3iwk h SER 351 Cb 0.50 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.04 3iwk h SER 351 CO 0.00 0.68 -0.02 0.00 -1.14 0.00 0.00 176.83 176.35 3iwk h ALA 352 N 1.32 -0.05 0.06 3.77 0.00 -0.80 -2.24 119.26 121.32 3iwk h ALA 352 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3iwk h ALA 352 Cb 1.42 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.23 3iwk h ALA 352 CO 0.09 -0.51 -0.05 0.87 0.00 0.00 0.00 179.25 179.65 3iwk h LYS 353 N -0.09 -0.11 0.00 0.00 1.57 -1.64 0.19 116.57 116.49 3iwk h LYS 353 Ca -0.00 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3iwk h LYS 353 Cb 0.07 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.41 3iwk h LYS 353 CO 0.01 -0.07 0.00 0.43 -0.57 0.00 0.00 179.45 179.25 3iwk n SER 354 N -5.15 0.00 0.00 0.86 7.64 -1.05 -1.36 113.62 114.56 3iwk n SER 354 Ca -0.07 0.28 0.00 0.00 1.01 0.00 0.00 58.87 60.09 3iwk n SER 354 Cb 0.08 -0.30 0.00 0.00 -1.01 0.00 0.00 64.21 62.98 3iwk n SER 354 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3iwk n GLU 355 N -1.30 3.28 0.00 1.43 1.02 -0.87 -5.04 120.64 119.16 3iwk n GLU 355 Ca 0.01 -0.14 0.00 0.00 -0.02 0.00 0.00 57.16 57.00 3iwk n GLU 355 Cb 0.01 -0.58 0.00 0.00 -0.02 0.00 0.00 31.44 30.86 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 0.51 1.75 3.95 0.62 0.00 -0.47 -5.01 105.19 106.54 3iwk n GLY 356 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 3iwk n GLY 356 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iwk s ALA 357 N -2.00 3.75 -0.23 4.61 0.00 0.61 -4.88 121.76 123.62 3iwk s ALA 357 Ca 0.00 -0.96 -0.05 0.00 0.00 0.00 0.00 51.96 50.94 3iwk s ALA 357 Cb 0.00 -2.03 -0.02 0.00 0.00 0.00 0.00 23.12 21.07 3iwk s ALA 357 CO 0.00 0.07 0.01 0.99 0.00 0.00 0.00 175.76 176.83 3iwk s THR 358 N -2.21 3.85 -0.90 0.00 2.01 -0.18 -4.25 115.64 113.96 3iwk s THR 358 Ca 0.39 -0.33 -0.21 0.00 0.31 0.00 0.00 61.69 61.85 3iwk s THR 358 Cb -0.10 -2.77 0.09 0.00 0.01 0.00 0.00 72.50 69.73 3iwk s THR 358 CO 0.34 0.39 1.20 -0.63 -0.69 0.00 0.00 174.62 175.23 3iwk s ILE 359 N 1.46 4.38 0.09 1.82 -1.09 -1.26 0.17 121.20 126.77 3iwk s ILE 359 Ca 0.05 -1.04 -0.29 0.00 -2.23 0.00 0.00 60.65 57.15 3iwk s ILE 359 Cb -0.15 -4.85 -0.13 0.00 -1.58 0.00 0.00 42.46 35.75 3iwk s ILE 359 CO 0.00 -1.64 1.65 0.25 -1.23 0.00 0.00 174.94 173.97 3iwk h LEU 360 N 11.38 -0.65 -8.06 2.97 7.12 -1.78 -3.46 115.31 122.83 3iwk h LEU 360 Ca 0.07 0.05 -0.11 0.00 0.13 0.00 0.00 57.88 58.03 3iwk h LEU 360 Cb 1.03 0.22 -0.13 0.00 -0.53 0.00 0.00 40.66 41.25 3iwk h LEU 360 CO 1.22 -0.37 -0.35 0.28 -0.13 0.00 0.00 178.44 179.09 3iwk s THR 361 N -6.07 0.08 0.00 1.05 -1.32 -1.22 -5.04 115.64 103.12 3iwk s THR 361 Ca -0.16 -1.38 0.00 0.00 -1.21 0.00 0.00 61.69 58.94 3iwk s THR 361 Cb 0.06 -1.77 0.00 0.00 -1.51 0.00 0.00 72.50 69.28 3iwk s THR 361 CO 0.64 -0.36 0.00 0.61 -2.21 0.00 0.00 174.62 173.30 3iwk n GLY 362 N -0.18 -0.30 3.23 6.08 0.00 -1.25 -2.46 105.19 110.31 3iwk n GLY 362 Ca -0.08 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 44.87 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 2.92 3.97 -0.02 0.00 -1.25 -4.94 105.19 105.86 3iwk n GLY 363 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 3iwk n GLY 363 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3iwk s ARG 364 N -0.12 3.08 0.18 1.61 3.52 -1.26 -4.89 118.95 121.06 3iwk s ARG 364 Ca 0.00 -1.04 -0.18 0.00 -0.13 0.00 0.00 55.73 54.38 3iwk s ARG 364 Cb 0.00 -2.78 -0.08 0.00 -1.56 0.00 0.00 34.95 30.54 3iwk s ARG 364 CO 0.00 0.08 0.65 -0.98 -0.81 0.00 0.00 175.30 174.24 3iwk s ARG 365 N -4.14 4.17 0.15 5.12 1.70 -1.26 -1.36 118.95 123.33 3iwk s ARG 365 Ca 0.44 0.74 -0.31 0.00 -0.47 0.00 0.00 55.73 56.12 3iwk s ARG 365 Cb -0.09 -2.96 -0.10 0.00 -0.57 0.00 0.00 34.95 31.23 3iwk s ARG 365 CO 0.30 0.46 1.65 -1.25 -1.08 0.00 0.00 175.30 175.39 3iwk s PRO 366 N -1.83 4.18 0.50 3.89 0.04 -1.26 -4.90 135.00 135.62 3iwk s PRO 366 Ca 0.39 2.44 0.31 0.00 0.04 0.00 0.00 61.00 64.19 3iwk s PRO 366 Cb -0.17 -3.27 1.21 0.00 0.04 0.00 0.00 34.50 32.32 3iwk s PRO 366 CO 0.20 -0.69 1.91 1.05 0.04 0.00 0.00 177.00 179.51 3iwk h GLU 367 N 7.29 0.00 0.00 4.56 4.11 -2.00 -1.59 114.58 126.94 3iwk h GLU 367 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.00 3iwk h GLU 367 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 3iwk h GLU 367 CO 0.93 0.00 0.00 -2.39 0.07 0.00 0.00 179.01 177.62 3iwk n HIS 368 N -2.96 0.00 -3.80 2.06 1.44 -1.26 -4.27 115.22 106.43 3iwk n HIS 368 Ca 0.01 0.00 -0.30 0.00 -2.01 0.00 0.00 57.72 55.42 3iwk n HIS 368 Cb 0.32 -0.40 -0.14 0.00 0.12 0.00 0.00 29.99 29.89 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 -2.80 3.26 0.04 2.39 2.01 -0.60 -4.97 118.68 118.01 3iwk s LEU 369 Ca 0.19 -2.63 0.25 0.00 0.01 0.00 0.00 54.13 51.96 3iwk s LEU 369 Cb 0.18 -1.24 0.52 0.00 0.01 0.00 0.00 46.19 45.66 3iwk s LEU 369 CO 0.46 -0.28 1.43 0.29 1.01 0.00 0.00 176.35 179.27 3iwk n LYS 370 N 3.57 0.11 -4.47 1.70 5.02 -1.26 -4.58 118.16 118.25 3iwk n LYS 370 Ca 0.06 0.03 -0.28 0.00 -2.02 0.00 0.00 58.31 56.10 3iwk n LYS 370 Cb 0.35 -1.57 -0.13 0.00 -0.02 0.00 0.00 35.03 33.66 3iwk n LYS 370 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3iwk s LYS 371 N -3.06 1.41 0.00 1.97 -0.14 -1.26 -5.08 119.74 113.58 3iwk s LYS 371 Ca 0.10 -1.26 0.00 0.00 -1.36 0.00 0.00 55.97 53.45 3iwk s LYS 371 Cb 0.16 -1.80 0.00 0.00 -1.68 0.00 0.00 37.83 34.51 3iwk s LYS 371 CO 0.69 0.43 0.00 0.41 -0.76 0.00 0.00 175.35 176.13 3iwk n GLY 372 N 1.13 1.82 2.56 -3.33 0.00 -1.22 -4.73 105.19 101.42 3iwk n GLY 372 Ca -0.18 -1.95 -0.41 0.00 0.00 0.00 0.00 46.02 43.48 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 1.89 2.65 -3.68 1.61 4.02 0.03 -4.97 117.16 118.72 3iwk n TYR 373 Ca 0.00 -2.81 -0.37 0.00 -0.01 0.00 0.00 57.90 54.71 3iwk n TYR 373 Cb 0.00 -1.85 -0.06 0.00 -0.02 0.00 0.00 39.34 37.41 3iwk n TYR 373 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 3iwk s PHE 374 N -0.87 3.62 -0.00 -0.72 0.40 -1.26 0.13 117.98 119.28 3iwk s PHE 374 Ca 0.51 0.70 0.03 0.00 -0.60 0.00 0.00 56.93 57.57 3iwk s PHE 374 Cb 0.17 -2.14 -0.01 0.00 0.51 0.00 0.00 43.02 41.55 3iwk s PHE 374 CO -0.07 0.61 -0.09 0.08 0.70 0.00 0.00 175.22 176.44 3iwk s VAL 375 N -0.75 0.71 0.44 -0.44 1.01 -1.26 -4.51 120.40 115.60 3iwk s VAL 375 Ca 0.18 -0.44 -0.24 0.00 0.00 0.00 0.00 61.98 61.48 3iwk s VAL 375 Cb -0.14 -0.60 -0.08 0.00 0.00 0.00 0.00 36.38 35.56 3iwk s VAL 375 CO 0.07 0.15 1.18 -1.61 0.00 0.00 0.00 175.10 174.90 3iwk s GLU 376 N -0.33 3.86 -0.36 2.72 2.02 -0.46 -4.90 118.70 121.25 3iwk s GLU 376 Ca 0.03 1.83 -0.32 0.00 0.02 0.00 0.00 54.97 56.53 3iwk s GLU 376 Cb -0.04 -2.52 -0.10 0.00 0.10 0.00 0.00 34.13 31.57 3iwk s GLU 376 CO -0.00 -0.48 2.25 -2.30 0.02 0.00 0.00 175.26 174.74 3iwk n PRO 377 N -0.26 1.22 -3.59 0.39 -0.02 -1.26 -3.96 135.00 127.52 3iwk n PRO 377 Ca 0.06 0.30 -0.36 0.00 -2.02 0.00 0.00 63.50 61.48 3iwk n PRO 377 Cb 0.47 -2.69 -0.07 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 8.13 5.31 -0.09 3.45 2.01 0.07 -3.76 115.64 130.76 3iwk s THR 378 Ca 1.08 0.50 -0.00 0.00 0.31 0.00 0.00 61.69 63.58 3iwk s THR 378 Cb -0.69 -3.60 0.02 0.00 0.01 0.00 0.00 72.50 68.24 3iwk s THR 378 CO 0.44 0.44 -0.06 -0.51 -0.69 0.00 0.00 174.62 174.24 3iwk s ILE 379 N 0.11 0.79 0.02 1.82 -1.16 -1.03 -1.43 121.20 120.33 3iwk s ILE 379 Ca 0.16 -0.18 0.05 0.00 -0.51 0.00 0.00 60.65 60.17 3iwk s ILE 379 Cb -0.13 -0.84 -0.03 0.00 0.61 0.00 0.00 42.46 42.07 3iwk s ILE 379 CO 0.04 0.32 -0.11 0.27 -2.81 0.00 0.00 174.94 172.65 3iwk s ILE 380 N 1.52 3.35 0.33 2.00 -4.36 0.83 -2.08 121.20 122.79 3iwk s ILE 380 Ca 0.00 -0.93 0.01 0.00 -0.26 0.00 0.00 60.65 59.47 3iwk s ILE 380 Cb -0.13 -2.45 -0.00 0.00 1.25 0.00 0.00 42.46 41.13 3iwk s ILE 380 CO -0.05 0.37 0.03 1.07 0.24 0.00 0.00 174.94 176.60 3iwk n THR 381 N 1.53 0.00 -3.54 8.37 5.66 0.13 -1.80 114.28 124.61 3iwk n THR 381 Ca -0.15 -1.64 -0.25 0.00 -3.05 0.00 0.00 64.05 58.96 3iwk n THR 381 Cb 0.52 0.40 0.04 0.00 -1.55 0.00 0.00 70.33 69.75 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 -1.34 -5.81 -4.63 1.09 9.92 -1.26 -1.01 116.55 113.51 3iwk n ASP 382 Ca -0.12 -0.87 -0.35 0.00 -0.53 0.00 0.00 54.79 52.93 3iwk n ASP 382 Cb 0.43 -3.83 -0.10 0.00 -0.64 0.00 0.00 41.12 36.98 3iwk n ASP 382 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3iwk s VAL 383 N -3.38 4.40 0.03 2.53 1.01 -1.25 -4.19 120.40 119.54 3iwk s VAL 383 Ca 0.41 -0.19 -0.12 0.00 0.00 0.00 0.00 61.98 62.07 3iwk s VAL 383 Cb -0.12 -2.91 -0.06 0.00 0.00 0.00 0.00 36.38 33.29 3iwk s VAL 383 CO 0.83 0.54 0.40 -0.89 0.00 0.00 0.00 175.10 175.98 3iwk s THR 384 N -0.25 5.07 0.59 3.92 2.01 -1.26 -4.92 115.64 120.80 3iwk s THR 384 Ca 0.06 0.65 0.30 0.00 0.31 0.00 0.00 61.69 63.01 3iwk s THR 384 Cb -0.12 -3.67 0.41 0.00 0.01 0.00 0.00 72.50 69.13 3iwk s THR 384 CO 0.02 0.45 1.68 0.00 -0.69 0.00 0.00 174.62 176.08 3iwk h THR 385 N 3.34 0.23 -0.51 -0.82 1.03 -2.00 -1.61 112.91 112.58 3iwk h THR 385 Ca -0.51 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 65.89 3iwk h THR 385 Cb 1.21 0.38 0.00 0.00 -1.07 0.00 0.00 68.15 68.67 3iwk h THR 385 CO 0.63 0.00 0.00 -1.54 -0.01 0.00 0.00 175.52 174.60 3iwk n SER 386 N -3.59 3.55 -4.77 0.00 3.41 -1.26 -4.76 113.62 106.19 3iwk n SER 386 Ca 0.16 -1.98 -0.39 0.00 -0.26 0.00 0.00 58.87 56.40 3iwk n SER 386 Cb 1.05 -0.33 -0.06 0.00 -0.26 0.00 0.00 64.21 64.61 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 -1.22 4.65 0.57 4.33 1.00 -0.61 -4.96 119.30 123.07 3iwk s MET 387 Ca 0.40 1.27 0.27 0.00 0.00 0.00 0.00 55.69 57.63 3iwk s MET 387 Cb 0.22 -3.20 1.57 0.00 0.00 0.00 0.00 34.83 33.42 3iwk s MET 387 CO 0.30 0.52 2.07 1.96 0.00 0.00 0.00 175.02 179.87 3iwk h GLN 388 N 4.10 0.00 0.00 2.03 4.20 -1.93 -0.68 115.11 122.83 3iwk h GLN 388 Ca -0.46 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.25 3iwk h GLN 388 Cb 1.20 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.98 3iwk h GLN 388 CO 0.67 0.00 0.00 -0.89 -0.67 0.00 0.00 178.83 177.94 3iwk n ILE 389 N -3.94 0.73 -0.06 2.54 -0.00 -1.26 -1.26 119.36 116.11 3iwk n ILE 389 Ca 0.03 0.08 -0.04 0.00 -0.00 0.00 0.00 62.75 62.82 3iwk n ILE 389 Cb 0.38 -0.94 -0.12 0.00 -0.00 0.00 0.00 39.64 38.97 3iwk n ILE 389 CO 0.00 0.00 0.00 1.87 -0.00 0.00 0.00 176.55 178.42 3iwk n TRP 390 N -2.11 0.00 0.01 1.39 -0.00 -0.30 -4.62 117.44 111.82 3iwk n TRP 390 Ca 0.04 0.00 -0.14 0.00 -0.00 0.00 0.00 57.50 57.39 3iwk n TRP 390 Cb 0.28 -0.65 -0.14 0.00 -0.00 0.00 0.00 31.31 30.81 3iwk n TRP 390 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 3iwk h ARG 391 N 0.00 0.14 -6.42 5.87 3.08 -1.37 -3.49 114.38 112.19 3iwk h ARG 391 Ca -0.31 -0.24 -0.67 0.00 0.07 0.00 0.00 59.98 58.82 3iwk h ARG 391 Cb 1.65 0.09 -0.17 0.00 0.08 0.00 0.00 29.97 31.62 3iwk h ARG 391 CO 0.02 0.89 -0.73 -1.21 -1.07 0.00 0.00 179.97 177.87 3iwk s GLU 392 N -2.60 2.34 -0.04 0.04 2.02 -0.39 -4.92 118.70 115.16 3iwk s GLU 392 Ca -0.11 -0.87 -0.30 0.00 0.02 0.00 0.00 54.97 53.72 3iwk s GLU 392 Cb 0.07 -2.39 -0.04 0.00 0.10 0.00 0.00 34.13 31.87 3iwk s GLU 392 CO 0.82 0.56 1.37 -2.00 0.02 0.00 0.00 175.26 176.03 3iwk s GLU 393 N -1.74 4.27 -0.14 1.61 2.12 -1.26 -4.77 118.70 118.79 3iwk s GLU 393 Ca 0.19 1.89 -0.27 0.00 0.36 0.00 0.00 54.97 57.14 3iwk s GLU 393 Cb -0.11 -3.65 -0.26 0.00 0.26 0.00 0.00 34.13 30.38 3iwk s GLU 393 CO 0.10 -0.61 0.69 0.28 -0.54 0.00 0.00 175.26 175.18 3iwk h VAL 394 N 5.10 1.61 -4.71 3.70 2.07 -1.93 -3.49 116.25 118.60 3iwk h VAL 394 Ca -0.36 -2.34 -0.29 0.00 0.82 0.00 0.00 66.70 64.53 3iwk h VAL 394 Cb 1.16 3.18 0.11 0.00 -1.52 0.00 0.00 31.29 34.22 3iwk h VAL 394 CO 0.92 0.58 -0.53 0.33 0.02 0.00 0.00 177.57 178.88 3iwk n PHE 395 N -4.51 -2.08 -3.98 1.57 7.35 -1.26 -4.73 117.46 109.81 3iwk n PHE 395 Ca -0.14 0.76 -0.10 0.00 -0.76 0.00 0.00 57.45 57.21 3iwk n PHE 395 Cb 0.56 -4.15 -0.04 0.00 0.35 0.00 0.00 39.48 36.20 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 0.69 -1.08 7.13 0.00 -1.16 -4.36 107.32 105.10 3iwk s GLY 396 Ca 0.34 -0.97 -0.13 0.00 0.00 0.00 0.00 44.72 43.96 3iwk s GLY 396 CO 0.56 -0.63 2.21 -1.55 0.00 0.00 0.00 173.10 173.69 3iwk n PRO 397 N -0.45 2.30 -3.96 2.90 -0.04 -1.17 -4.55 135.00 130.02 3iwk n PRO 397 Ca -0.02 -1.90 -0.29 0.00 -0.04 0.00 0.00 63.50 61.24 3iwk n PRO 397 Cb 0.61 -2.81 -0.16 0.00 -0.04 0.00 0.00 33.50 31.11 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 3.68 1.43 -0.19 0.52 1.01 -1.25 -0.75 120.40 124.84 3iwk s VAL 398 Ca 0.51 -0.79 -0.08 0.00 0.00 0.00 0.00 61.98 61.62 3iwk s VAL 398 Cb 0.13 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.96 3iwk s VAL 398 CO -0.00 0.22 0.08 -0.22 0.00 0.00 0.00 175.10 175.17 3iwk s LEU 399 N 1.50 3.90 -0.15 3.92 0.20 -0.52 -4.83 118.68 122.71 3iwk s LEU 399 Ca 0.01 0.11 -0.05 0.00 0.69 0.00 0.00 54.13 54.89 3iwk s LEU 399 Cb -0.15 -1.99 -0.04 0.00 -0.43 0.00 0.00 46.19 43.58 3iwk s LEU 399 CO -0.08 0.17 0.03 0.00 -0.29 0.00 0.00 176.35 176.18 3iwk s ALA 400 N 0.39 3.33 -0.05 5.97 0.00 -0.30 -0.12 121.76 130.98 3iwk s ALA 400 Ca 0.04 -0.76 0.04 0.00 0.00 0.00 0.00 51.96 51.28 3iwk s ALA 400 Cb -0.12 -1.74 -0.02 0.00 0.00 0.00 0.00 23.12 21.24 3iwk s ALA 400 CO -0.00 0.33 -0.17 0.08 0.00 0.00 0.00 175.76 175.99 3iwk s VAL 401 N -0.06 2.81 0.04 0.00 1.01 -0.75 0.55 120.40 123.99 3iwk s VAL 401 Ca 0.05 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.22 3iwk s VAL 401 Cb -0.12 -2.08 -0.03 0.00 0.00 0.00 0.00 36.38 34.15 3iwk s VAL 401 CO 0.01 0.58 -0.04 -0.54 0.00 0.00 0.00 175.10 175.12 3iwk s LYS 402 N -0.58 0.45 0.15 2.72 -0.14 -0.50 -3.90 119.74 117.95 3iwk s LYS 402 Ca 0.08 -0.85 -0.02 0.00 -1.36 0.00 0.00 55.97 53.82 3iwk s LYS 402 Cb -0.11 0.07 -0.05 0.00 -1.68 0.00 0.00 37.83 36.06 3iwk s LYS 402 CO 0.01 -0.05 0.35 -0.08 -0.76 0.00 0.00 175.35 174.82 3iwk s THR 403 N -2.28 5.22 0.02 2.17 -1.32 -1.26 -1.69 115.64 116.49 3iwk s THR 403 Ca -0.07 -0.20 -0.10 0.00 -1.21 0.00 0.00 61.69 60.11 3iwk s THR 403 Cb -0.04 -3.67 0.01 0.00 -1.51 0.00 0.00 72.50 67.29 3iwk s THR 403 CO -0.04 -0.03 0.20 0.72 -2.21 0.00 0.00 174.62 173.26 3iwk s PHE 404 N -1.72 0.01 -0.08 9.09 -0.12 -0.37 -4.88 117.98 119.90 3iwk s PHE 404 Ca 0.39 -0.13 -0.09 0.00 -0.05 0.00 0.00 56.93 57.05 3iwk s PHE 404 Cb -0.12 -0.01 -0.03 0.00 -0.63 0.00 0.00 43.02 42.23 3iwk s PHE 404 CO 0.27 -0.38 -0.18 -1.13 -0.05 0.00 0.00 175.22 173.75 3iwk n SER 405 N 1.03 1.20 -4.95 1.98 3.41 -1.26 -1.46 113.62 113.58 3iwk n SER 405 Ca -0.21 0.20 -0.23 0.00 -0.26 0.00 0.00 58.87 58.37 3iwk n SER 405 Cb 0.57 -0.56 0.01 0.00 -0.26 0.00 0.00 64.21 63.97 3iwk n SER 405 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3iwk s THR 406 N -2.17 4.27 0.24 6.66 -4.23 -1.26 -4.89 115.64 114.27 3iwk s THR 406 Ca -0.15 -0.46 -0.07 0.00 -1.18 0.00 0.00 61.69 59.83 3iwk s THR 406 Cb 0.02 -3.57 0.23 0.00 1.34 0.00 0.00 72.50 70.51 3iwk s THR 406 CO 0.22 -0.40 1.90 -0.08 -0.54 0.00 0.00 174.62 175.72 3iwk h GLU 407 N 0.47 1.14 -0.89 3.99 4.81 -2.00 -2.23 114.58 119.87 3iwk h GLU 407 Ca -0.47 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 58.69 3iwk h GLU 407 Cb 1.24 -0.26 -0.04 0.00 0.63 0.00 0.00 28.75 30.32 3iwk h GLU 407 CO 0.58 0.76 0.54 1.49 -0.73 0.00 0.00 179.01 181.65 3iwk h GLU 408 N 1.18 1.21 0.00 1.92 4.81 -2.00 -2.27 114.58 119.42 3iwk h GLU 408 Ca 0.36 -0.11 -0.10 0.00 -0.13 0.00 0.00 59.36 59.38 3iwk h GLU 408 Cb -0.04 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.07 3iwk h GLU 408 CO -0.11 0.84 -0.48 1.49 -0.73 0.00 0.00 179.01 180.03 3iwk h GLU 409 N 1.23 0.00 -0.03 1.92 4.81 -1.89 -2.65 114.58 117.97 3iwk h GLU 409 Ca 0.32 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.54 3iwk h GLU 409 Cb -0.06 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.32 3iwk h GLU 409 CO -0.06 0.48 -0.02 0.00 -0.73 0.00 0.00 179.01 178.68 3iwk h ALA 410 N 1.52 0.04 -0.20 2.92 0.00 -0.86 -2.67 119.26 120.01 3iwk h ALA 410 Ca -0.00 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.56 3iwk h ALA 410 Cb 0.95 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 3iwk h ALA 410 CO 0.06 -0.21 -0.31 -0.84 0.00 0.00 0.00 179.25 177.95 3iwk h ILE 411 N -0.38 1.28 -0.71 0.00 -2.65 -1.45 -1.61 117.51 112.00 3iwk h ILE 411 Ca 0.01 -1.35 -0.06 0.00 1.03 0.00 0.00 64.86 64.48 3iwk h ILE 411 Cb 0.48 1.47 -0.03 0.00 -2.05 0.00 0.00 36.82 36.69 3iwk h ILE 411 CO 0.01 0.42 0.22 0.78 0.03 0.00 0.00 178.15 179.61 3iwk h ASN 412 N 0.35 1.04 -0.33 2.16 2.35 -1.52 -0.44 115.58 119.19 3iwk h ASN 412 Ca 0.05 -0.21 -0.16 0.00 -0.55 0.00 0.00 56.30 55.43 3iwk h ASN 412 Cb 0.73 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.82 3iwk h ASN 412 CO 0.06 0.97 -0.39 -0.07 -1.65 0.00 0.00 177.43 176.35 3iwk h LEU 413 N 1.05 0.94 -0.63 1.61 3.38 -1.31 -2.68 115.31 117.67 3iwk h LEU 413 Ca 0.23 -0.43 -0.05 0.00 0.09 0.00 0.00 57.88 57.72 3iwk h LEU 413 Cb 0.30 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 3iwk h LEU 413 CO -0.01 1.21 0.21 0.00 0.09 0.00 0.00 178.44 179.95 3iwk h ALA 414 N 0.83 0.82 -0.09 1.53 0.00 -1.08 -2.78 119.26 118.48 3iwk h ALA 414 Ca 0.06 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3iwk h ALA 414 Cb 0.97 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3iwk h ALA 414 CO 0.09 0.48 0.00 0.09 0.00 0.00 0.00 179.25 179.91 3iwk n ASN 415 N -4.39 0.98 -3.74 0.00 3.02 -0.19 -4.56 115.26 106.37 3iwk n ASN 415 Ca 0.04 -1.57 -0.42 0.00 -0.03 0.00 0.00 54.58 52.60 3iwk n ASN 415 Cb 0.20 -0.06 -0.00 0.00 -0.61 0.00 0.00 39.78 39.31 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 -0.14 5.00 -3.45 6.41 2.03 -1.01 -4.82 116.55 120.56 3iwk n ASP 416 Ca 0.16 -2.96 -0.13 0.00 0.52 0.00 0.00 54.79 52.37 3iwk n ASP 416 Cb 0.22 -1.55 -0.03 0.00 -0.72 0.00 0.00 41.12 39.04 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 1.59 0.00 -1.13 5.18 -1.32 -1.26 -4.97 115.64 113.72 3iwk s THR 417 Ca 0.46 0.00 0.26 0.00 -1.21 0.00 0.00 61.69 61.19 3iwk s THR 417 Cb 0.13 -1.00 0.09 0.00 -1.51 0.00 0.00 72.50 70.20 3iwk s THR 417 CO -0.05 0.00 1.51 1.41 -2.21 0.00 0.00 174.62 175.28 3iwk n HIS 418 N -0.11 0.00 -2.02 9.09 8.25 -1.26 -4.89 115.22 124.28 3iwk n HIS 418 Ca -0.17 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.01 3iwk n HIS 418 Cb 0.63 -0.25 0.15 0.00 1.12 0.00 0.00 29.99 31.64 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 -2.91 1.89 -0.31 4.41 1.51 -1.26 -1.49 117.35 119.19 3iwk s TYR 419 Ca 0.14 0.32 0.02 0.00 -1.01 0.00 0.00 57.07 56.54 3iwk s TYR 419 Cb 0.18 -3.84 0.15 0.00 -0.11 0.00 0.00 41.96 38.34 3iwk s TYR 419 CO 0.65 -2.33 1.18 0.41 -1.11 0.00 0.00 175.55 174.35 3iwk n GLY 420 N -3.54 -1.13 0.00 0.71 0.00 -1.24 -4.74 105.19 95.25 3iwk n GLY 420 Ca 0.14 0.33 0.00 0.00 0.00 0.00 0.00 46.02 46.49 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 -0.14 0.48 -4.86 0.99 7.94 -1.26 -1.51 117.00 118.63 3iwk n LEU 421 Ca -0.21 0.22 -0.28 0.00 -1.11 0.00 0.00 56.01 54.63 3iwk n LEU 421 Cb 0.68 -0.37 -0.03 0.00 0.53 0.00 0.00 43.42 44.24 3iwk n LEU 421 CO -0.11 -0.37 -0.04 -0.83 -1.11 0.00 0.00 177.39 174.93 3iwk s GLY 422 N -2.03 2.57 -0.27 -3.96 0.00 -1.26 -1.26 107.32 101.10 3iwk s GLY 422 Ca 0.00 -1.00 -0.26 0.00 0.00 0.00 0.00 44.72 43.46 3iwk s GLY 422 CO 0.00 -2.02 1.24 -1.35 0.00 0.00 0.00 173.10 170.97 3iwk s SER 423 N -4.16 -0.22 -0.03 1.64 1.04 -0.67 -4.19 113.70 107.11 3iwk s SER 423 Ca 0.26 0.38 0.04 0.00 0.48 0.00 0.00 55.95 57.11 3iwk s SER 423 Cb -0.01 0.37 -0.00 0.00 0.10 0.00 0.00 66.02 66.47 3iwk s SER 423 CO 0.16 -0.11 -0.14 0.00 0.98 0.00 0.00 173.24 174.13 3iwk s ALA 424 N -0.23 1.25 -0.08 5.32 0.00 0.12 0.14 121.76 128.27 3iwk s ALA 424 Ca 0.05 -0.58 0.03 0.00 0.00 0.00 0.00 51.96 51.45 3iwk s ALA 424 Cb -0.04 -0.39 0.01 0.00 0.00 0.00 0.00 23.12 22.71 3iwk s ALA 424 CO -0.09 0.25 -0.17 0.08 0.00 0.00 0.00 175.76 175.84 3iwk s VAL 425 N -0.08 1.51 -0.16 0.00 1.01 0.11 0.00 120.40 122.79 3iwk s VAL 425 Ca 0.00 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.30 3iwk s VAL 425 Cb -0.08 -1.35 0.02 0.00 0.00 0.00 0.00 36.38 34.97 3iwk s VAL 425 CO 0.01 0.44 -0.17 -0.04 0.00 0.00 0.00 175.10 175.33 3iwk s MET 426 N 0.61 2.67 0.00 2.72 1.00 0.49 0.54 119.30 127.33 3iwk s MET 426 Ca -0.15 -0.71 0.00 0.00 0.00 0.00 0.00 55.69 54.84 3iwk s MET 426 Cb -0.16 -2.34 0.00 0.00 0.00 0.00 0.00 34.83 32.32 3iwk s MET 426 CO 0.05 -0.21 0.00 -1.13 0.00 0.00 0.00 175.02 173.73 3iwk n SER 427 N 4.65 0.00 0.15 3.03 3.41 -1.26 -1.94 113.62 121.66 3iwk n SER 427 Ca -0.19 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.55 3iwk n SER 427 Cb 0.50 0.00 0.37 0.00 -0.26 0.00 0.00 64.21 64.82 3iwk n SER 427 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 3iwk h ASN 428 N 0.00 0.00 -2.54 4.04 2.35 -1.71 -3.41 115.58 114.31 3iwk h ASN 428 Ca 0.00 0.00 -0.55 0.00 -0.55 0.00 0.00 56.30 55.20 3iwk h ASN 428 Cb 0.00 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 38.29 3iwk h ASN 428 CO 0.00 0.00 1.00 -0.62 -1.65 0.00 0.00 177.43 176.16 3iwk s ASP 429 N -5.00 6.21 0.32 5.81 2.15 -1.26 -4.90 116.67 120.00 3iwk s ASP 429 Ca 0.09 -0.39 0.05 0.00 0.43 0.00 0.00 52.55 52.73 3iwk s ASP 429 Cb 0.10 -2.55 0.54 0.00 -0.30 0.00 0.00 42.92 40.71 3iwk s ASP 429 CO 0.59 -1.74 1.79 -0.07 -0.17 0.00 0.00 175.17 175.58 3iwk h LEU 430 N 12.68 0.38 -0.88 -1.34 3.38 -2.00 -2.43 115.31 125.10 3iwk h LEU 430 Ca -0.27 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.58 3iwk h LEU 430 Cb 1.05 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.66 3iwk h LEU 430 CO 1.25 0.60 0.53 -0.33 0.09 0.00 0.00 178.44 180.58 3iwk h GLU 431 N 0.36 1.20 -0.50 1.13 5.08 -1.97 0.33 114.58 120.21 3iwk h GLU 431 Ca 0.06 -0.11 -0.07 0.00 -1.00 0.00 0.00 59.36 58.24 3iwk h GLU 431 Cb 0.56 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 3iwk h GLU 431 CO 0.04 0.84 0.03 -0.09 -1.00 0.00 0.00 179.01 178.83 3iwk h ARG 432 N 1.21 0.85 -0.56 2.33 2.43 -1.91 -1.84 114.38 116.89 3iwk h ARG 432 Ca 0.31 -0.25 0.03 0.00 -0.81 0.00 0.00 59.98 59.26 3iwk h ARG 432 Cb -0.04 -0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 29.38 3iwk h ARG 432 CO -0.06 0.87 0.33 0.00 -1.51 0.00 0.00 179.97 179.60 3iwk h GLU 434 N 0.64 1.03 -0.81 0.00 4.81 -0.81 0.01 114.58 119.46 3iwk h GLU 434 Ca 0.23 -0.21 0.04 0.00 -0.13 0.00 0.00 59.36 59.30 3iwk h GLU 434 Cb 0.06 -0.16 -0.05 0.00 0.63 0.00 0.00 28.75 29.23 3iwk h GLU 434 CO -0.12 0.88 0.51 0.00 -0.73 0.00 0.00 179.01 179.55 3iwk h ARG 435 N 1.00 0.94 0.06 1.92 3.08 -0.98 -2.82 114.38 117.57 3iwk h ARG 435 Ca 0.22 -0.06 -0.24 0.00 0.07 0.00 0.00 59.98 59.98 3iwk h ARG 435 Cb 0.28 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 3iwk h ARG 435 CO -0.01 0.62 -1.10 -0.07 -1.07 0.00 0.00 179.97 178.34 3iwk h LEU 436 N 0.97 0.20 -1.58 3.04 4.07 -0.99 -2.86 115.31 118.16 3iwk h LEU 436 Ca 0.33 -0.21 -0.01 0.00 0.08 0.00 0.00 57.88 58.08 3iwk h LEU 436 Cb 0.07 -0.06 -0.02 0.00 1.08 0.00 0.00 40.66 41.73 3iwk h LEU 436 CO -0.13 1.16 0.18 0.77 -1.08 0.00 0.00 178.44 179.33 3iwk h SER 437 N 0.04 0.41 -0.10 -0.43 4.64 -0.89 0.15 113.55 117.37 3iwk h SER 437 Ca -0.07 -0.02 -0.15 0.00 -0.47 0.00 0.00 61.79 61.08 3iwk h SER 437 Cb 1.85 -0.10 0.01 0.00 -0.31 0.00 0.00 62.40 63.84 3iwk h SER 437 CO 0.16 0.34 -0.53 0.11 -0.87 0.00 0.00 176.83 176.04 3iwk h LYS 438 N 0.47 0.53 0.00 4.77 1.57 -1.50 -3.35 116.57 119.06 3iwk h LYS 438 Ca 0.12 -0.44 -0.07 0.00 -1.87 0.00 0.00 60.65 58.39 3iwk h LYS 438 Cb 0.02 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 3iwk h LYS 438 CO -0.02 1.07 -0.33 0.00 -0.57 0.00 0.00 179.45 179.60 3iwk h ALA 439 N 0.47 0.80 -2.07 3.86 0.00 -1.21 -3.45 119.26 117.66 3iwk h ALA 439 Ca -0.04 -0.30 -0.57 0.00 0.00 0.00 0.00 54.91 54.01 3iwk h ALA 439 Cb 1.18 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 3iwk h ALA 439 CO 0.11 0.41 0.98 -0.51 0.00 0.00 0.00 179.25 180.24 3iwk s LEU 440 N -6.43 4.04 -1.21 0.00 1.43 0.48 -4.95 118.68 112.05 3iwk s LEU 440 Ca 0.04 1.56 -0.20 0.00 -1.03 0.00 0.00 54.13 54.51 3iwk s LEU 440 Cb 0.07 -3.54 0.05 0.00 0.03 0.00 0.00 46.19 42.81 3iwk s LEU 440 CO 0.71 -0.97 1.67 -1.10 0.23 0.00 0.00 176.35 176.90 3iwk s GLN 441 N 3.97 3.78 0.14 1.70 -0.21 -1.26 -4.88 119.66 122.89 3iwk s GLN 441 Ca 0.60 -1.68 -0.11 0.00 0.02 0.00 0.00 55.36 54.18 3iwk s GLN 441 Cb -0.22 -5.47 0.00 0.00 1.00 0.00 0.00 33.01 28.33 3iwk s GLN 441 CO 0.21 -2.35 0.30 0.00 -2.12 0.00 0.00 175.29 171.33 3iwk s ALA 442 N 4.88 -0.33 -0.24 6.09 0.00 -1.26 -4.50 121.76 126.40 3iwk s ALA 442 Ca 0.53 -0.59 0.19 0.00 0.00 0.00 0.00 51.96 52.08 3iwk s ALA 442 Cb 0.02 0.72 0.09 0.00 0.00 0.00 0.00 23.12 23.95 3iwk s ALA 442 CO 0.03 -0.62 1.31 0.78 0.00 0.00 0.00 175.76 177.25 3iwk h GLY 443 N 2.53 0.00 -5.73 0.00 0.00 -1.03 -3.45 103.07 95.40 3iwk h GLY 443 Ca -0.32 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.40 3iwk h GLY 443 CO 0.49 0.00 -0.85 -0.42 0.00 0.00 0.00 176.54 175.76 3iwk s ILE 444 N -3.08 1.65 -0.23 2.60 -1.09 -0.39 -4.78 121.20 115.88 3iwk s ILE 444 Ca 0.03 -0.76 0.02 0.00 -2.23 0.00 0.00 60.65 57.71 3iwk s ILE 444 Cb 0.07 -1.47 0.05 0.00 -1.58 0.00 0.00 42.46 39.53 3iwk s ILE 444 CO 0.75 0.47 -0.13 -0.69 -1.23 0.00 0.00 174.94 174.10 3iwk s VAL 445 N 0.70 2.04 -0.12 2.92 1.01 -1.26 -1.67 120.40 124.02 3iwk s VAL 445 Ca -0.12 -1.33 -0.18 0.00 0.00 0.00 0.00 61.98 60.35 3iwk s VAL 445 Cb -0.16 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 3iwk s VAL 445 CO 0.03 0.16 0.47 0.26 0.00 0.00 0.00 175.10 176.02 3iwk s TRP 446 N 1.21 3.51 -0.17 5.22 0.51 0.12 -4.99 118.94 124.35 3iwk s TRP 446 Ca -0.04 0.89 -0.00 0.00 -2.12 0.00 0.00 56.10 54.83 3iwk s TRP 446 Cb -0.17 -2.55 0.00 0.00 -0.81 0.00 0.00 33.47 29.94 3iwk s TRP 446 CO -0.08 0.17 -0.15 0.96 -0.51 0.00 0.00 176.95 177.35 3iwk s ILE 447 N 0.61 2.64 -1.59 2.03 -4.36 -1.26 -0.72 121.20 118.55 3iwk s ILE 447 Ca 0.26 -0.77 -0.01 0.00 -0.26 0.00 0.00 60.65 59.87 3iwk s ILE 447 Cb -0.15 -2.13 0.00 0.00 1.25 0.00 0.00 42.46 41.43 3iwk s ILE 447 CO 0.10 0.51 0.19 0.59 0.24 0.00 0.00 174.94 176.56 3iwk n ASN 448 N 4.28 -5.65 -2.65 4.36 3.02 0.19 -4.96 115.26 113.84 3iwk n ASN 448 Ca -0.19 -0.10 -0.01 0.00 -0.03 0.00 0.00 54.58 54.25 3iwk n ASN 448 Cb 0.51 -4.62 0.01 0.00 -0.61 0.00 0.00 39.78 35.08 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 -1.69 -1.92 0.00 0.00 0.00 -1.26 -4.59 121.76 112.30 3iwk s ALA 450 Ca 0.17 2.37 0.00 0.00 0.00 0.00 0.00 51.96 54.50 3iwk s ALA 450 Cb -0.01 -1.45 0.00 0.00 0.00 0.00 0.00 23.12 21.65 3iwk s ALA 450 CO 0.02 -0.37 0.00 1.04 0.00 0.00 0.00 175.76 176.45 3iwk n GLN 451 N 4.13 0.00 -1.82 0.00 1.13 -1.26 -4.57 117.38 114.99 3iwk n GLN 451 Ca -0.19 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.45 3iwk n GLN 451 Cb 0.59 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.91 3iwk n GLN 451 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 3iwk s PRO 452 N -0.09 4.17 -0.48 -1.09 0.04 -1.26 -4.96 135.00 131.33 3iwk s PRO 452 Ca 0.00 2.49 -0.00 0.00 0.04 0.00 0.00 61.00 63.52 3iwk s PRO 452 Cb 0.00 -3.34 0.13 0.00 0.04 0.00 0.00 34.50 31.33 3iwk s PRO 452 CO 0.00 -0.73 0.26 -1.54 0.04 0.00 0.00 177.00 175.02 3iwk s SER 453 N 1.82 4.97 0.21 6.66 1.04 -1.26 -5.09 113.70 122.05 3iwk s SER 453 Ca 0.75 -2.50 -0.30 0.00 0.48 0.00 0.00 55.95 54.38 3iwk s SER 453 Cb -0.45 -1.76 -0.08 0.00 0.10 0.00 0.00 66.02 63.82 3iwk s SER 453 CO 0.33 -0.40 0.99 -0.36 0.98 0.00 0.00 173.24 174.78 3iwk s PHE 454 N 0.44 3.83 0.52 5.02 0.40 -1.26 -4.95 117.98 121.98 3iwk s PHE 454 Ca 0.13 1.82 0.28 0.00 -0.60 0.00 0.00 56.93 58.56 3iwk s PHE 454 Cb -0.22 -3.09 1.65 0.00 0.51 0.00 0.00 43.02 41.88 3iwk s PHE 454 CO -0.04 0.10 2.18 0.82 0.70 0.00 0.00 175.22 178.98 3iwk h ILE 455 N 3.40 0.56 0.00 0.64 1.08 -1.98 -2.53 117.51 118.68 3iwk h ILE 455 Ca -0.45 -0.23 -0.09 0.00 -0.39 0.00 0.00 64.86 63.71 3iwk h ILE 455 Cb 1.21 1.14 -0.01 0.00 -3.07 0.00 0.00 36.82 36.09 3iwk h ILE 455 CO 0.69 0.05 -0.51 1.56 -0.69 0.00 0.00 178.15 179.26 3iwk h GLN 456 N 0.00 0.00 -5.69 2.37 7.50 -1.94 0.29 115.11 117.64 3iwk h GLN 456 Ca -0.00 0.00 -0.66 0.00 0.50 0.00 0.00 58.65 58.49 3iwk h GLN 456 Cb 0.14 0.00 -0.06 0.00 0.05 0.00 0.00 27.48 27.60 3iwk h GLN 456 CO 0.01 0.37 -0.48 0.00 -1.50 0.00 0.00 178.83 177.23 3iwk s ALA 457 N -3.02 3.90 0.19 3.87 0.00 -0.96 -4.14 121.76 121.60 3iwk s ALA 457 Ca 0.04 -0.67 -0.31 0.00 0.00 0.00 0.00 51.96 51.02 3iwk s ALA 457 Cb 0.07 -1.95 -0.09 0.00 0.00 0.00 0.00 23.12 21.15 3iwk s ALA 457 CO 0.74 0.65 1.43 -1.25 0.00 0.00 0.00 175.76 177.33 3iwk s PRO 458 N -1.27 4.29 -0.07 0.00 0.04 -1.26 -4.03 135.00 132.70 3iwk s PRO 458 Ca 0.18 2.21 0.05 0.00 0.04 0.00 0.00 61.00 63.49 3iwk s PRO 458 Cb -0.12 -3.17 -0.01 0.00 0.04 0.00 0.00 34.50 31.24 3iwk s PRO 458 CO 0.08 -0.44 -0.23 -0.46 0.04 0.00 0.00 177.00 175.99 3iwk s TRP 459 N 0.56 2.51 0.00 0.56 -0.11 0.55 -4.95 118.94 118.06 3iwk s TRP 459 Ca 0.63 -0.78 0.00 0.00 1.22 0.00 0.00 56.10 57.17 3iwk s TRP 459 Cb -0.40 -1.65 0.00 0.00 -1.50 0.00 0.00 33.47 29.92 3iwk s TRP 459 CO 0.36 -0.25 0.00 0.41 -4.62 0.00 0.00 176.95 172.85 3iwk n GLY 460 N 3.11 0.07 2.55 5.86 0.00 -1.26 -0.48 105.19 115.03 3iwk n GLY 460 Ca -0.18 -1.19 -0.22 0.00 0.00 0.00 0.00 46.02 44.43 3iwk n GLY 460 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iwk n GLY 461 N -0.83 3.70 3.46 -0.02 0.00 -1.26 -3.99 105.19 106.25 3iwk n GLY 461 Ca 0.00 -2.27 -0.24 0.00 0.00 0.00 0.00 46.02 43.51 3iwk n GLY 461 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3iwk s ILE 462 N -2.37 0.52 0.00 -0.61 -4.36 -0.57 -4.12 121.20 109.69 3iwk s ILE 462 Ca 0.03 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.42 3iwk s ILE 462 Cb 0.00 -2.40 0.00 0.00 1.25 0.00 0.00 42.46 41.31 3iwk s ILE 462 CO 0.02 0.00 0.00 0.29 0.24 0.00 0.00 174.94 175.49 3iwk n LYS 463 N -0.83 0.00 -0.00 0.37 5.02 -1.25 -1.95 118.16 119.52 3iwk n LYS 463 Ca -0.03 0.00 0.16 0.00 -2.02 0.00 0.00 58.31 56.41 3iwk n LYS 463 Cb 0.65 0.00 0.92 0.00 -0.02 0.00 0.00 35.03 36.57 3iwk n LYS 463 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3iwk n ARG 464 N 14.00 1.03 0.00 1.97 1.74 -0.55 -2.32 116.66 132.52 3iwk n ARG 464 Ca 0.00 -0.04 0.13 0.00 -0.77 0.00 0.00 57.85 57.17 3iwk n ARG 464 Cb 0.00 -1.49 0.68 0.00 -1.02 0.00 0.00 32.46 30.63 3iwk n ARG 464 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3iwk n SER 465 N -0.94 0.00 0.00 0.55 7.64 -0.82 -4.67 113.62 115.38 3iwk n SER 465 Ca 0.23 -0.08 0.00 0.00 1.01 0.00 0.00 58.87 60.03 3iwk n SER 465 Cb 0.12 -0.29 0.00 0.00 -1.01 0.00 0.00 64.21 63.03 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 1.04 0.25 3.70 0.23 0.00 -0.98 -0.43 105.19 109.00 3iwk n GLY 466 Ca 0.13 -1.91 -0.04 0.00 0.00 0.00 0.00 46.02 44.19 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 -0.18 0.00 1.61 -0.71 -0.67 -3.90 117.98 114.13 3iwk s PHE 467 Ca 0.00 -0.09 0.00 0.00 -1.04 0.00 0.00 56.93 55.80 3iwk s PHE 467 Cb 0.00 0.62 0.00 0.00 -1.21 0.00 0.00 43.02 42.43 3iwk s PHE 467 CO 0.00 -0.76 0.00 0.41 -1.34 0.00 0.00 175.22 173.53 3iwk n GLY 468 N -0.42 -0.89 3.00 1.99 0.00 -1.26 -2.03 105.19 105.58 3iwk n GLY 468 Ca -0.07 -1.59 -0.20 0.00 0.00 0.00 0.00 46.02 44.16 3iwk n GLY 468 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3iwk s ARG 469 N -3.18 0.97 0.46 1.61 1.81 -1.26 -4.31 118.95 115.05 3iwk s ARG 469 Ca 0.00 -0.30 0.07 0.00 -1.72 0.00 0.00 55.73 53.78 3iwk s ARG 469 Cb 0.00 -0.90 -0.01 0.00 -0.45 0.00 0.00 34.95 33.59 3iwk s ARG 469 CO 0.00 0.10 0.35 -1.21 -0.68 0.00 0.00 175.30 173.87 3iwk s GLU 470 N 0.22 2.38 0.40 3.54 2.02 0.36 -3.78 118.70 123.84 3iwk s GLU 470 Ca -0.04 -1.75 0.00 0.00 0.02 0.00 0.00 54.97 53.21 3iwk s GLU 470 Cb -0.09 -2.22 0.00 0.00 0.10 0.00 0.00 34.13 31.93 3iwk s GLU 470 CO 0.01 -0.31 0.00 1.28 0.02 0.00 0.00 175.26 176.25 3iwk n LEU 471 N -1.56 -0.68 0.00 1.80 4.77 -1.26 -0.33 117.00 119.74 3iwk n LEU 471 Ca 0.01 1.57 0.00 0.00 -0.03 0.00 0.00 56.01 57.57 3iwk n LEU 471 Cb 0.63 -2.62 0.00 0.00 -2.33 0.00 0.00 43.42 39.10 3iwk n LEU 471 CO 0.42 -1.76 0.00 0.61 -1.33 0.00 0.00 177.39 175.34 3iwk n GLY 472 N -3.69 0.60 0.12 -0.72 0.00 0.10 -0.65 105.19 100.94 3iwk n GLY 472 Ca -0.05 -0.81 0.13 0.00 0.00 0.00 0.00 46.02 45.28 3iwk n GLY 472 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3iwk n GLU 473 N 0.00 0.25 0.05 1.61 1.02 -1.26 -3.39 120.64 118.91 3iwk n GLU 473 Ca 0.00 0.30 -0.07 0.00 -0.02 0.00 0.00 57.16 57.36 3iwk n GLU 473 Cb 0.00 -1.84 0.08 0.00 -0.02 0.00 0.00 31.44 29.66 3iwk n GLU 473 CO 0.00 0.00 0.00 -1.49 1.18 0.00 0.00 177.13 176.82 3iwk h TRP 474 N 0.00 0.50 -0.51 -0.32 4.06 -1.85 -2.24 115.95 115.59 3iwk h TRP 474 Ca 0.00 -0.19 -0.09 0.00 2.06 0.00 0.00 58.89 60.67 3iwk h TRP 474 Cb 0.61 -0.09 -0.02 0.00 -1.00 0.00 0.00 29.16 28.66 3iwk h TRP 474 CO 0.00 0.89 -0.02 0.78 -3.56 0.00 0.00 178.44 176.53 3iwk h GLY 475 N 1.26 0.99 0.95 1.49 0.00 -0.90 -2.62 103.07 104.24 3iwk h GLY 475 Ca -0.00 -0.75 -0.06 0.00 0.00 0.00 0.00 47.33 46.52 3iwk h GLY 475 CO 0.10 0.69 0.04 -2.00 0.00 0.00 0.00 176.54 175.37 3iwk h LEU 476 N 0.78 0.68 -2.27 3.11 5.85 -1.66 -2.98 115.31 118.81 3iwk h LEU 476 Ca 0.14 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 3iwk h LEU 476 Cb 0.55 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.40 3iwk h LEU 476 CO 0.03 0.79 -0.05 -0.33 -0.34 0.00 0.00 178.44 178.55 3iwk h GLU 477 N 0.55 0.00 0.00 1.25 4.39 -1.35 -1.48 114.58 117.94 3iwk h GLU 477 Ca 0.12 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.82 3iwk h GLU 477 Cb 0.42 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 3iwk h GLU 477 CO 0.01 0.05 0.00 -0.97 -1.16 0.00 0.00 179.01 176.94 3iwk h ASN 478 N 0.00 0.00 -0.03 1.42 -1.24 -1.30 -2.70 115.58 111.73 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 0.19 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.24 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 -2.97 0.08 -4.39 0.67 4.02 -0.56 -5.00 117.16 109.01 3iwk n TYR 479 Ca -0.02 -0.84 -0.29 0.00 -0.01 0.00 0.00 57.90 56.74 3iwk n TYR 479 Cb 0.15 -0.13 -0.12 0.00 -0.02 0.00 0.00 39.34 39.21 3iwk n TYR 479 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3iwk s LEU 480 N -2.32 2.48 -0.02 7.72 1.43 -1.02 -1.94 118.68 125.02 3iwk s LEU 480 Ca 0.24 -0.65 0.06 0.00 -1.03 0.00 0.00 54.13 52.75 3iwk s LEU 480 Cb 0.20 -1.37 -0.02 0.00 0.03 0.00 0.00 46.19 45.03 3iwk s LEU 480 CO 0.03 0.19 -0.21 -0.94 0.23 0.00 0.00 176.35 175.64 3iwk s SER 481 N -2.03 3.48 -0.16 2.29 1.04 0.13 -4.74 113.70 113.71 3iwk s SER 481 Ca 0.16 -0.38 -0.24 0.00 0.48 0.00 0.00 55.95 55.97 3iwk s SER 481 Cb -0.10 -0.54 -0.02 0.00 0.10 0.00 0.00 66.02 65.46 3iwk s SER 481 CO 0.08 0.32 0.79 -0.69 0.98 0.00 0.00 173.24 174.71 3iwk s VAL 482 N -0.70 4.92 -0.21 5.02 1.01 -1.26 -1.69 120.40 127.50 3iwk s VAL 482 Ca 0.11 1.55 -0.03 0.00 0.00 0.00 0.00 61.98 63.61 3iwk s VAL 482 Cb -0.10 -4.10 -0.01 0.00 0.00 0.00 0.00 36.38 32.17 3iwk s VAL 482 CO 0.00 0.07 -0.07 -0.75 0.00 0.00 0.00 175.10 174.35 3iwk s LYS 483 N 1.93 3.34 -0.05 2.72 2.20 0.25 -4.97 119.74 125.15 3iwk s LYS 483 Ca 0.37 -0.65 -0.27 0.00 -0.36 0.00 0.00 55.97 55.06 3iwk s LYS 483 Cb -0.17 -2.92 -0.03 0.00 -1.51 0.00 0.00 37.83 33.20 3iwk s LYS 483 CO 0.13 -0.15 0.84 -1.14 -0.36 0.00 0.00 175.35 174.67 3iwk s GLN 484 N 1.32 4.47 -0.19 4.03 0.74 -1.26 -0.46 119.66 128.30 3iwk s GLN 484 Ca 0.04 1.13 0.01 0.00 0.05 0.00 0.00 55.36 56.59 3iwk s GLN 484 Cb -0.14 -3.47 0.03 0.00 1.10 0.00 0.00 33.01 30.53 3iwk s GLN 484 CO -0.03 -0.05 -0.15 0.08 -0.55 0.00 0.00 175.29 174.59 3iwk s VAL 485 N 1.10 1.90 -0.06 1.34 1.01 0.12 -4.97 120.40 120.83 3iwk s VAL 485 Ca 0.44 -1.02 0.02 0.00 0.00 0.00 0.00 61.98 61.43 3iwk s VAL 485 Cb -0.19 -1.83 0.01 0.00 0.00 0.00 0.00 36.38 34.37 3iwk s VAL 485 CO 0.21 0.35 -0.13 -0.89 0.00 0.00 0.00 175.10 174.65 3iwk s THR 486 N 1.32 1.17 -0.09 3.92 2.01 -1.26 -0.95 115.64 121.75 3iwk s THR 486 Ca 0.01 -0.51 0.01 0.00 0.31 0.00 0.00 61.69 61.51 3iwk s THR 486 Cb -0.15 -1.06 0.02 0.00 0.01 0.00 0.00 72.50 71.32 3iwk s THR 486 CO -0.10 0.36 -0.10 -0.60 -0.69 0.00 0.00 174.62 173.49 3iwk s ARG 487 N 0.60 1.61 -0.20 4.92 3.52 0.65 -4.96 118.95 125.08 3iwk s ARG 487 Ca -0.14 -0.32 -0.29 0.00 -0.13 0.00 0.00 55.73 54.85 3iwk s ARG 487 Cb -0.15 -1.52 -0.00 0.00 -1.56 0.00 0.00 34.95 31.71 3iwk s ARG 487 CO 0.04 -0.15 1.19 -0.47 -0.81 0.00 0.00 175.30 175.10 3iwk s TYR 488 N 1.28 2.99 -1.25 5.12 5.04 -1.26 -0.23 117.35 129.05 3iwk s TYR 488 Ca -0.03 1.14 0.17 0.00 -2.44 0.00 0.00 57.07 55.91 3iwk s TYR 488 Cb -0.14 -3.48 -0.07 0.00 0.35 0.00 0.00 41.96 38.62 3iwk s TYR 488 CO -0.04 -1.30 0.81 0.25 -1.34 0.00 0.00 175.55 173.93 3iwk n THR 489 N 5.45 0.00 -2.74 4.34 -2.24 0.61 -4.98 114.28 114.71 3iwk n THR 489 Ca 0.13 -0.25 -0.33 0.00 -2.27 0.00 0.00 64.05 61.34 3iwk n THR 489 Cb 0.45 1.12 -0.06 0.00 -2.10 0.00 0.00 70.33 69.74 3iwk n THR 489 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3iwk s SER 490 N -2.18 6.88 0.00 3.42 0.15 -1.22 -4.96 113.70 115.79 3iwk s SER 490 Ca 0.11 1.67 0.23 0.00 0.70 0.00 0.00 55.95 58.66 3iwk s SER 490 Cb 0.13 -2.53 0.52 0.00 -1.71 0.00 0.00 66.02 62.43 3iwk s SER 490 CO 0.52 -0.40 1.45 -0.67 1.20 0.00 0.00 173.24 175.33 3iwk n ASP 491 N -0.81 2.71 -4.79 5.45 2.03 -1.26 -4.95 116.55 114.94 3iwk n ASP 491 Ca 0.07 -1.88 -0.37 0.00 0.52 0.00 0.00 54.79 53.13 3iwk n ASP 491 Cb 0.54 -0.14 -0.06 0.00 -0.72 0.00 0.00 41.12 40.73 3iwk n ASP 491 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 3iwk s GLU 492 N -1.71 4.54 0.58 -0.67 0.41 -1.26 -5.03 118.70 115.55 3iwk s GLU 492 Ca 0.35 1.25 -0.20 0.00 -0.41 0.00 0.00 54.97 55.97 3iwk s GLU 492 Cb 0.21 -2.84 -0.04 0.00 -1.78 0.00 0.00 34.13 29.67 3iwk s GLU 492 CO 0.30 0.31 1.15 -2.30 -0.49 0.00 0.00 175.26 174.23 3iwk n PRO 493 N 0.65 1.20 -0.25 0.39 -0.02 -1.26 -4.91 135.00 130.79 3iwk n PRO 493 Ca 0.01 0.45 -0.04 0.00 -2.02 0.00 0.00 63.50 61.90 3iwk n PRO 493 Cb 0.50 -2.35 0.07 0.00 -0.02 0.00 0.00 33.50 31.70 3iwk n PRO 493 CO 0.00 0.00 0.00 2.35 1.98 0.00 0.00 175.50 179.83 3iwk h TRP 494 N 0.84 0.85 -0.56 6.00 -0.00 -1.99 -3.47 115.95 117.62 3iwk h TRP 494 Ca -0.49 0.02 -0.11 0.00 -0.00 0.00 0.00 58.89 58.31 3iwk h TRP 494 Cb 1.34 -0.28 -0.02 0.00 -0.00 0.00 0.00 29.16 30.20 3iwk h TRP 494 CO 0.41 0.51 -0.12 0.41 -0.00 0.00 0.00 178.44 179.64 3iwk n GLY 495 N -1.29 0.40 0.08 2.65 0.00 -1.26 -4.96 105.19 100.82 3iwk n GLY 495 Ca 0.07 -0.73 -0.17 0.00 0.00 0.00 0.00 46.02 45.20 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 0.00 -2.69 1.61 2.91 -2.04 -3.48 115.95 112.27 3iwk h TRP 496 Ca -0.12 0.00 -0.46 0.00 1.13 0.00 0.00 58.89 59.44 3iwk h TRP 496 Cb 0.80 0.00 0.02 0.00 -0.51 0.00 0.00 29.16 29.47 3iwk h TRP 496 CO 0.15 1.16 -0.12 0.71 -1.03 0.00 0.00 178.44 179.30 3iwk s TYR 497 N -2.26 3.25 -0.21 2.65 2.02 -1.26 -5.07 117.35 116.46 3iwk s TYR 497 Ca -0.22 0.21 -0.28 0.00 -0.37 0.00 0.00 57.07 56.41 3iwk s TYR 497 Cb 0.00 -2.24 0.00 0.00 -0.40 0.00 0.00 41.96 39.32 3iwk s TYR 497 CO 0.64 -0.28 1.00 -0.65 -1.57 0.00 0.00 175.55 174.69 3iwk s GLN 498 N -4.50 4.28 0.48 -0.62 -1.52 -1.26 -5.04 119.66 111.48 3iwk s GLN 498 Ca 0.47 1.30 -0.23 0.00 -1.95 0.00 0.00 55.36 54.95 3iwk s GLN 498 Cb -0.10 -3.62 -0.07 0.00 -0.22 0.00 0.00 33.01 29.00 3iwk s GLN 498 CO 0.37 -0.55 1.28 -2.14 -0.25 0.00 0.00 175.29 174.00 3iwk s PRO 499 N 2.92 3.56 0.65 2.91 0.02 -1.26 -5.00 135.00 138.79 3iwk s PRO 499 Ca 0.43 2.05 -0.16 0.00 0.02 0.00 0.00 61.00 63.35 3iwk s PRO 499 Cb -0.16 -2.43 -0.01 0.00 0.02 0.00 0.00 34.50 31.93 3iwk s PRO 499 CO 0.08 -0.80 1.12 -1.25 -0.33 0.00 0.00 177.00 175.83 3iwk s PRO 500 N -2.67 2.83 0.29 5.54 0.04 -1.26 -4.98 135.00 134.78 3iwk s PRO 500 Ca 0.65 1.47 -0.29 0.00 0.04 0.00 0.00 61.00 62.87 3iwk s PRO 500 Cb -0.36 -1.95 -0.10 0.00 0.04 0.00 0.00 34.50 32.13 3iwk s PRO 500 CO 0.43 -1.24 1.39 -1.12 0.04 0.00 0.00 177.00 176.51 3iwk s SER 501 N -2.38 6.68 0.00 6.66 0.01 -1.26 -5.33 113.70 118.07 3iwk s SER 501 Ca 0.69 2.70 0.12 0.00 1.31 0.00 0.00 55.95 60.77 3iwk s SER 501 Cb -0.22 -2.64 0.09 0.00 0.21 0.00 0.00 66.02 63.47 3iwk s SER 501 CO 0.39 -0.65 0.88 1.17 0.41 0.00 0.00 173.24 175.44