#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 3.28 0.00 -1.46 0.52 -1.26 -5.13 118.95 114.90 3iwk s ARG 8 Ca 0.00 -0.45 0.00 0.00 -0.52 0.00 0.00 55.73 54.76 3iwk s ARG 8 Cb 0.00 -2.63 0.00 0.00 0.52 0.00 0.00 34.95 32.84 3iwk s ARG 8 CO 0.00 -0.04 0.00 1.04 0.02 0.00 0.00 175.30 176.32 3iwk n GLN 9 N -1.91 3.22 -2.87 3.54 1.13 -1.26 -4.56 117.38 114.67 3iwk n GLN 9 Ca -0.02 0.00 -0.39 0.00 -1.94 0.00 0.00 57.00 54.65 3iwk n GLN 9 Cb 0.57 0.00 -0.06 0.00 0.11 0.00 0.00 30.24 30.86 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 4.57 -0.58 1.08 1.43 -0.48 -4.83 118.68 119.87 3iwk s LEU 10 Ca 0.00 1.78 -0.18 0.00 -1.03 0.00 0.00 54.13 54.70 3iwk s LEU 10 Cb 0.00 -3.54 0.12 0.00 0.03 0.00 0.00 46.19 42.80 3iwk s LEU 10 CO 0.00 0.14 0.64 0.12 0.23 0.00 0.00 176.35 177.48 3iwk s PHE 11 N -1.25 3.10 -0.09 0.29 5.36 -0.83 -0.15 117.98 124.41 3iwk s PHE 11 Ca 0.40 -1.10 0.02 0.00 -0.96 0.00 0.00 56.93 55.29 3iwk s PHE 11 Cb -0.23 -3.94 0.01 0.00 -0.34 0.00 0.00 43.02 38.52 3iwk s PHE 11 CO 0.28 -1.20 -0.14 0.42 -1.46 0.00 0.00 175.22 173.12 3iwk s ILE 12 N 2.26 1.36 -1.47 3.12 1.01 -0.57 -0.68 121.20 126.22 3iwk s ILE 12 Ca 0.09 -0.58 -0.07 0.00 0.00 0.00 0.00 60.65 60.09 3iwk s ILE 12 Cb -0.26 -1.24 0.01 0.00 0.01 0.00 0.00 42.46 40.98 3iwk s ILE 12 CO 0.05 0.41 0.89 -0.67 0.00 0.00 0.00 174.94 175.62 3iwk n ASP 13 N 4.05 -6.28 0.00 3.58 -0.08 -1.26 -2.23 116.55 114.33 3iwk n ASP 13 Ca -0.20 -0.41 0.00 0.00 -1.51 0.00 0.00 54.79 52.67 3iwk n ASP 13 Cb 0.51 -5.00 0.00 0.00 2.34 0.00 0.00 41.12 38.97 3iwk n ASP 13 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3iwk n GLY 14 N -1.77 0.80 3.18 0.27 0.00 -1.26 -4.47 105.19 101.95 3iwk n GLY 14 Ca -0.05 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.88 3iwk n GLY 14 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3iwk s GLU 15 N -0.18 0.86 0.07 1.61 -1.05 -0.95 -4.88 118.70 114.18 3iwk s GLU 15 Ca 0.00 -1.23 -0.30 0.00 -0.15 0.00 0.00 54.97 53.29 3iwk s GLU 15 Cb 0.00 0.28 -0.05 0.00 -0.44 0.00 0.00 34.13 33.92 3iwk s GLU 15 CO 0.00 -0.25 0.97 -1.58 0.95 0.00 0.00 175.26 175.35 3iwk s TRP 16 N -3.96 3.75 -0.03 4.83 0.52 -1.26 -1.51 118.94 121.28 3iwk s TRP 16 Ca 0.14 1.76 0.00 0.00 0.02 0.00 0.00 56.10 58.02 3iwk s TRP 16 Cb 0.06 -3.08 0.03 0.00 -1.15 0.00 0.00 33.47 29.33 3iwk s TRP 16 CO -0.05 0.11 0.00 1.03 0.02 0.00 0.00 176.95 178.06 3iwk s ARG 17 N 0.37 0.30 0.28 4.98 0.52 0.79 -4.94 118.95 121.24 3iwk s ARG 17 Ca 0.49 0.08 -0.30 0.00 -0.52 0.00 0.00 55.73 55.49 3iwk s ARG 17 Cb -0.23 -0.49 -0.10 0.00 0.52 0.00 0.00 34.95 34.65 3iwk s ARG 17 CO 0.29 -0.14 1.42 0.08 0.02 0.00 0.00 175.30 176.97 3iwk s VAL 18 N 1.07 2.61 0.26 3.52 1.01 -1.26 -1.38 120.40 126.23 3iwk s VAL 18 Ca -0.09 0.54 -0.30 0.00 0.00 0.00 0.00 61.98 62.13 3iwk s VAL 18 Cb -0.13 -3.35 -0.13 0.00 0.00 0.00 0.00 36.38 32.77 3iwk s VAL 18 CO -0.02 0.10 1.31 -2.65 0.00 0.00 0.00 175.10 173.84 3iwk n PRO 19 N 1.85 1.88 -0.21 2.72 -0.02 -1.26 -4.89 135.00 135.07 3iwk n PRO 19 Ca 0.05 0.67 0.02 0.00 -2.02 0.00 0.00 63.50 62.21 3iwk n PRO 19 Cb 0.40 -2.25 0.11 0.00 -0.02 0.00 0.00 33.50 31.74 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 2.76 0.47 -0.27 4.25 2.04 -1.93 0.33 117.51 125.17 3iwk h ILE 20 Ca -0.44 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.38 3iwk h ILE 20 Cb 1.29 0.34 0.00 0.00 -0.74 0.00 0.00 36.82 37.72 3iwk h ILE 20 CO 0.70 0.02 0.00 0.18 0.00 0.00 0.00 178.15 179.05 3iwk n LEU 21 N -5.29 1.81 -1.01 1.44 4.77 -1.26 -4.95 117.00 112.51 3iwk n LEU 21 Ca 0.10 -0.84 -0.13 0.00 -0.03 0.00 0.00 56.01 55.11 3iwk n LEU 21 Cb 0.37 -0.17 -0.05 0.00 -2.33 0.00 0.00 43.42 41.23 3iwk n LEU 21 CO 0.10 0.42 -0.12 -3.20 -1.33 0.00 0.00 177.39 173.26 3iwk n ASN 22 N 0.45 -5.28 -4.80 -1.43 5.15 0.10 -4.97 115.26 104.48 3iwk n ASN 22 Ca 0.14 0.31 -0.33 0.00 -0.60 0.00 0.00 54.58 54.10 3iwk n ASN 22 Cb 0.32 -4.11 -0.01 0.00 -0.53 0.00 0.00 39.78 35.45 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 -3.01 3.58 0.03 1.20 1.02 -1.26 -4.98 119.74 116.31 3iwk s LYS 23 Ca 0.00 1.25 0.01 0.00 0.02 0.00 0.00 55.97 57.25 3iwk s LYS 23 Cb 0.00 -2.07 -0.02 0.00 -0.52 0.00 0.00 37.83 35.22 3iwk s LYS 23 CO 0.00 -0.60 -0.05 1.03 -0.92 0.00 0.00 175.35 174.81 3iwk s ARG 24 N -3.71 0.39 -0.16 1.68 0.52 -1.26 -1.74 118.95 114.67 3iwk s ARG 24 Ca 0.65 -0.64 -0.01 0.00 -0.52 0.00 0.00 55.73 55.21 3iwk s ARG 24 Cb -0.16 -0.07 -0.01 0.00 0.52 0.00 0.00 34.95 35.23 3iwk s ARG 24 CO 0.29 -0.00 -0.12 0.42 0.02 0.00 0.00 175.30 175.91 3iwk s ILE 25 N -1.35 3.00 0.51 1.52 1.01 0.69 -4.89 121.20 121.69 3iwk s ILE 25 Ca -0.13 -0.66 -0.23 0.00 0.00 0.00 0.00 60.65 59.64 3iwk s ILE 25 Cb -0.09 -2.29 -0.06 0.00 0.01 0.00 0.00 42.46 40.02 3iwk s ILE 25 CO -0.00 0.50 1.38 -2.65 0.00 0.00 0.00 174.94 174.16 3iwk n PRO 26 N 4.04 1.91 -4.02 2.79 -0.02 -1.26 -0.80 135.00 137.63 3iwk n PRO 26 Ca -0.19 0.69 -0.34 0.00 -2.02 0.00 0.00 63.50 61.65 3iwk n PRO 26 Cb 0.52 -2.59 -0.15 0.00 -0.02 0.00 0.00 33.50 31.26 3iwk n PRO 26 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3iwk s ASN 27 N -0.73 3.86 -0.20 2.55 2.47 0.17 -4.84 114.94 118.22 3iwk s ASN 27 Ca 0.67 -0.74 -0.10 0.00 0.42 0.00 0.00 52.86 53.12 3iwk s ASN 27 Cb -0.43 -1.60 -0.05 0.00 -1.45 0.00 0.00 41.25 37.72 3iwk s ASN 27 CO 0.53 -0.06 0.12 -0.63 -3.72 0.00 0.00 177.10 173.33 3iwk s ILE 28 N 1.32 5.32 -0.17 -5.21 1.01 -1.26 -1.08 121.20 121.13 3iwk s ILE 28 Ca 0.02 0.16 -0.29 0.00 0.00 0.00 0.00 60.65 60.54 3iwk s ILE 28 Cb -0.15 -3.42 -0.04 0.00 0.01 0.00 0.00 42.46 38.86 3iwk s ILE 28 CO -0.08 0.45 1.67 0.21 0.00 0.00 0.00 174.94 177.19 3iwk s ASN 29 N 0.34 6.41 0.32 3.58 3.04 -0.52 -4.90 114.94 123.22 3iwk s ASN 29 Ca 0.07 1.83 0.26 0.00 0.04 0.00 0.00 52.86 55.06 3iwk s ASN 29 Cb -0.11 -2.53 1.05 0.00 -1.54 0.00 0.00 41.25 38.12 3iwk s ASN 29 CO -0.02 -1.20 1.77 1.55 -3.04 0.00 0.00 177.10 176.16 3iwk h PRO 30 N 10.63 0.00 0.20 0.43 0.13 -1.81 0.27 132.00 141.85 3iwk h PRO 30 Ca -0.36 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.46 3iwk h PRO 30 Cb 1.17 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.32 3iwk h PRO 30 CO 0.98 0.00 -1.41 1.03 -0.23 0.00 0.00 178.00 178.38 3iwk h SER 31 N 0.00 0.66 0.00 1.44 0.87 -1.90 -1.74 113.55 112.88 3iwk h SER 31 Ca 0.00 -0.72 -0.16 0.00 -1.23 0.00 0.00 61.79 59.68 3iwk h SER 31 Cb 0.41 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 62.13 3iwk h SER 31 CO 0.00 1.57 -1.87 0.35 -0.53 0.00 0.00 176.83 176.35 3iwk n THR 32 N -3.63 0.60 -0.88 2.23 -2.24 -1.16 -3.59 114.28 105.62 3iwk n THR 32 Ca -0.14 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 3iwk n THR 32 Cb 1.07 -0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.97 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 -2.34 0.00 -3.67 -0.78 1.02 0.92 -4.38 120.64 111.41 3iwk n GLU 33 Ca -0.15 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.64 3iwk n GLU 33 Cb 0.75 -2.49 -0.05 0.00 -0.02 0.00 0.00 31.44 29.63 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 -2.36 6.56 -0.06 1.62 0.01 -1.24 -4.84 114.94 114.64 3iwk s ASN 34 Ca 0.00 0.66 -0.30 0.00 -0.71 0.00 0.00 52.86 52.51 3iwk s ASN 34 Cb 0.00 -2.13 -0.05 0.00 0.41 0.00 0.00 41.25 39.48 3iwk s ASN 34 CO 0.00 0.20 1.52 -0.63 -1.51 0.00 0.00 177.10 176.68 3iwk s ILE 35 N -1.37 3.71 -0.33 0.60 1.01 -1.26 -1.43 121.20 122.14 3iwk s ILE 35 Ca 0.31 0.95 0.04 0.00 0.00 0.00 0.00 60.65 61.94 3iwk s ILE 35 Cb -0.13 -3.61 -0.01 0.00 0.01 0.00 0.00 42.46 38.72 3iwk s ILE 35 CO 0.18 -0.06 0.37 2.30 0.00 0.00 0.00 174.94 177.73 3iwk n ILE 36 N 5.22 0.00 -3.17 2.92 -5.35 -0.24 -4.94 119.36 113.80 3iwk n ILE 36 Ca 0.16 -0.45 0.00 0.00 -0.27 0.00 0.00 62.75 62.18 3iwk n ILE 36 Cb 0.43 1.04 0.00 0.00 -1.74 0.00 0.00 39.64 39.37 3iwk n ILE 36 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3iwk n GLY 37 N 0.69 -1.14 3.54 3.28 0.00 -1.20 -5.03 105.19 105.33 3iwk n GLY 37 Ca 0.01 -0.84 -0.11 0.00 0.00 0.00 0.00 46.02 45.08 3iwk n GLY 37 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3iwk s ASP 38 N -4.00 0.24 -0.01 1.61 1.47 -1.26 -0.66 116.67 114.07 3iwk s ASP 38 Ca 0.00 -1.15 -0.00 0.00 1.18 0.00 0.00 52.55 52.58 3iwk s ASP 38 Cb 0.00 0.61 0.01 0.00 -0.34 0.00 0.00 42.92 43.20 3iwk s ASP 38 CO 0.00 -1.20 0.01 -0.63 0.68 0.00 0.00 175.17 174.03 3iwk s ILE 39 N -3.63 -0.02 0.34 2.11 -1.09 0.02 -4.80 121.20 114.14 3iwk s ILE 39 Ca 0.26 0.07 -0.29 0.00 -2.23 0.00 0.00 60.65 58.46 3iwk s ILE 39 Cb -0.00 -0.03 -0.11 0.00 -1.58 0.00 0.00 42.46 40.73 3iwk s ILE 39 CO 0.13 0.03 1.51 -2.65 -1.23 0.00 0.00 174.94 172.73 3iwk n PRO 40 N 3.41 2.64 -3.65 2.79 -0.02 -1.26 -0.22 135.00 138.68 3iwk n PRO 40 Ca -0.17 0.93 -0.38 0.00 -2.02 0.00 0.00 63.50 61.86 3iwk n PRO 40 Cb 0.57 -2.67 -0.08 0.00 -0.02 0.00 0.00 33.50 31.30 3iwk n PRO 40 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3iwk s ALA 41 N -0.72 3.76 0.56 3.55 0.00 -0.71 -3.66 121.76 124.54 3iwk s ALA 41 Ca 0.57 -3.37 -0.19 0.00 0.00 0.00 0.00 51.96 48.97 3iwk s ALA 41 Cb -0.49 -2.81 -0.05 0.00 0.00 0.00 0.00 23.12 19.77 3iwk s ALA 41 CO 0.58 -2.14 1.15 0.00 0.00 0.00 0.00 175.76 175.35 3iwk s ALA 42 N -0.25 2.64 0.42 0.00 0.00 -0.40 -4.52 121.76 119.65 3iwk s ALA 42 Ca 0.19 0.87 0.02 0.00 0.00 0.00 0.00 51.96 53.04 3iwk s ALA 42 Cb -0.17 -3.39 -0.01 0.00 0.00 0.00 0.00 23.12 19.56 3iwk s ALA 42 CO -0.05 -0.90 0.08 2.41 0.00 0.00 0.00 175.76 177.30 3iwk n THR 43 N -1.42 0.00 -0.24 0.00 -1.04 -1.26 -3.79 114.28 106.53 3iwk n THR 43 Ca 0.12 -2.26 0.02 0.00 -2.04 0.00 0.00 64.05 59.89 3iwk n THR 43 Cb 0.51 0.67 0.06 0.00 -1.82 0.00 0.00 70.33 69.75 3iwk n THR 43 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 3iwk n LYS 44 N -1.00 -0.10 0.15 -2.82 3.00 -1.26 -1.11 118.16 115.02 3iwk n LYS 44 Ca -0.11 0.99 0.01 0.00 -0.00 0.00 0.00 58.31 59.20 3iwk n LYS 44 Cb 0.59 -1.48 0.17 0.00 0.00 0.00 0.00 35.03 34.31 3iwk n LYS 44 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 3iwk h GLU 45 N 0.00 0.00 -0.20 1.64 5.08 -1.99 -0.72 114.58 118.40 3iwk h GLU 45 Ca 0.27 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.51 3iwk h GLU 45 Cb 0.43 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 3iwk h GLU 45 CO -0.65 0.55 -0.33 -0.44 -1.00 0.00 0.00 179.01 177.14 3iwk h ASP 46 N 0.00 0.63 -0.66 1.42 5.19 -1.51 -2.82 116.42 118.67 3iwk h ASP 46 Ca -0.01 -0.53 -0.01 0.00 -0.62 0.00 0.00 57.03 55.86 3iwk h ASP 46 Cb 1.17 -0.18 -0.03 0.00 0.18 0.00 0.00 39.33 40.47 3iwk h ASP 46 CO 0.07 1.05 0.37 0.58 -3.12 0.00 0.00 179.24 178.19 3iwk h VAL 47 N 0.24 1.20 -0.84 -1.35 2.07 -1.18 -1.46 116.25 114.92 3iwk h VAL 47 Ca 0.01 -0.50 -0.00 0.00 0.82 0.00 0.00 66.70 67.03 3iwk h VAL 47 Cb 0.92 0.28 -0.04 0.00 -1.52 0.00 0.00 31.29 30.94 3iwk h VAL 47 CO 0.08 0.22 0.52 0.44 0.02 0.00 0.00 177.57 178.85 3iwk h ASP 48 N 0.94 1.00 -0.18 0.57 3.32 -1.11 -0.41 116.42 120.56 3iwk h ASP 48 Ca 0.24 -0.06 -0.10 0.00 0.02 0.00 0.00 57.03 57.13 3iwk h ASP 48 Cb 0.02 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.30 3iwk h ASP 48 CO -0.04 0.76 -0.23 -0.07 -1.72 0.00 0.00 179.24 177.94 3iwk h LEU 49 N 1.16 0.63 -0.06 1.55 3.38 -1.15 -1.39 115.31 119.42 3iwk h LEU 49 Ca 0.30 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3iwk h LEU 49 Cb -0.07 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.51 3iwk h LEU 49 CO -0.06 0.85 -0.00 0.00 0.09 0.00 0.00 178.44 179.32 3iwk h ALA 50 N 1.20 0.08 -0.49 1.53 0.00 -0.87 -1.39 119.26 119.32 3iwk h ALA 50 Ca 0.08 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 3iwk h ALA 50 Cb 0.69 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 3iwk h ALA 50 CO 0.05 -0.24 0.12 0.28 0.00 0.00 0.00 179.25 179.46 3iwk h VAL 51 N -0.18 1.24 -0.53 0.00 2.07 -1.05 -1.40 116.25 116.39 3iwk h VAL 51 Ca 0.02 -0.84 0.05 0.00 0.82 0.00 0.00 66.70 66.76 3iwk h VAL 51 Cb 0.34 0.84 -0.05 0.00 -1.52 0.00 0.00 31.29 30.90 3iwk h VAL 51 CO 0.00 0.30 0.26 0.44 0.02 0.00 0.00 177.57 178.59 3iwk h ASP 52 N 0.68 0.35 -0.33 0.57 5.19 -1.26 0.72 116.42 122.34 3iwk h ASP 52 Ca 0.16 0.04 0.03 0.00 -0.62 0.00 0.00 57.03 56.64 3iwk h ASP 52 Cb 0.32 -0.02 -0.03 0.00 0.18 0.00 0.00 39.33 39.78 3iwk h ASP 52 CO 0.00 0.24 0.12 0.00 -3.12 0.00 0.00 179.24 176.48 3iwk h ALA 53 N 1.30 0.38 -0.49 3.45 0.00 -0.90 -1.04 119.26 121.96 3iwk h ALA 53 Ca 0.24 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.20 3iwk h ALA 53 Cb 0.18 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 3iwk h ALA 53 CO -0.19 -0.27 0.31 0.00 0.00 0.00 0.00 179.25 179.10 3iwk h ALA 54 N 1.20 0.62 -0.44 0.00 0.00 -0.83 -1.42 119.26 118.41 3iwk h ALA 54 Ca 0.14 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3iwk h ALA 54 Cb 0.11 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3iwk h ALA 54 CO -0.14 0.04 0.23 -0.22 0.00 0.00 0.00 179.25 179.16 3iwk h LYS 55 N 0.63 0.61 -0.17 0.00 3.64 -0.55 -2.51 116.57 118.22 3iwk h LYS 55 Ca 0.19 -0.08 -0.10 0.00 -1.27 0.00 0.00 60.65 59.39 3iwk h LYS 55 Cb -0.04 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 3iwk h LYS 55 CO -0.06 0.50 -0.34 0.00 -2.27 0.00 0.00 179.45 177.28 3iwk h ARG 56 N 0.57 0.35 0.00 1.90 3.08 -1.10 -2.12 114.38 117.06 3iwk h ARG 56 Ca 0.15 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 3iwk h ARG 56 Cb 0.07 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.10 3iwk h ARG 56 CO -0.02 0.65 -0.08 0.00 -1.07 0.00 0.00 179.97 179.45 3iwk h ALA 57 N 1.34 1.66 0.06 0.04 0.00 -0.97 0.16 119.26 121.55 3iwk h ALA 57 Ca 0.04 -0.07 -0.28 0.00 0.00 0.00 0.00 54.91 54.59 3iwk h ALA 57 Cb 0.75 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 3iwk h ALA 57 CO 0.06 0.10 -1.47 0.82 0.00 0.00 0.00 179.25 178.76 3iwk h ILE 58 N 0.00 1.19 0.07 0.00 2.04 -0.99 -3.37 117.51 116.45 3iwk h ILE 58 Ca -0.00 -2.90 -0.28 0.00 1.00 0.00 0.00 64.86 62.68 3iwk h ILE 58 Cb 0.16 2.69 0.02 0.00 -0.74 0.00 0.00 36.82 38.95 3iwk h ILE 58 CO 0.01 0.78 -1.15 0.28 0.00 0.00 0.00 178.15 178.07 3iwk h SER 59 N 0.04 0.77 -1.39 1.72 0.02 -1.08 -3.34 113.55 110.29 3iwk h SER 59 Ca -0.20 -0.68 -0.76 0.00 -0.84 0.00 0.00 61.79 59.31 3iwk h SER 59 Cb 1.96 -0.24 0.03 0.00 0.14 0.00 0.00 62.40 64.29 3iwk h SER 59 CO 0.13 1.49 0.60 -1.14 -1.14 0.00 0.00 176.83 176.77 3iwk n ARG 60 N -3.77 0.74 -3.79 3.45 0.63 0.53 -2.16 116.66 112.29 3iwk n ARG 60 Ca -0.11 0.27 -0.26 0.00 -0.92 0.00 0.00 57.85 56.83 3iwk n ARG 60 Cb 0.94 -1.88 0.04 0.00 0.45 0.00 0.00 32.46 32.01 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 3.70 -5.65 -1.12 -0.14 5.02 -1.26 -0.68 118.16 118.03 3iwk n LYS 61 Ca 0.24 0.64 -0.04 0.00 -2.02 0.00 0.00 58.31 57.13 3iwk n LYS 61 Cb 0.10 -5.44 -0.02 0.00 -0.02 0.00 0.00 35.03 29.65 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 -2.94 -5.72 0.00 4.39 3.02 -0.92 -1.69 115.26 111.41 3iwk n ASN 62 Ca -0.09 0.11 0.00 0.00 -0.03 0.00 0.00 54.58 54.57 3iwk n ASN 62 Cb 0.59 -3.59 0.00 0.00 -0.61 0.00 0.00 39.78 36.16 3iwk n ASN 62 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3iwk n GLY 63 N 0.47 0.75 0.31 7.41 0.00 0.15 -4.72 105.19 109.56 3iwk n GLY 63 Ca -0.04 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.18 3iwk n GLY 63 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3iwk h ARG 64 N 3.90 0.00 0.00 1.61 2.43 -1.43 0.13 114.38 121.03 3iwk h ARG 64 Ca 0.00 0.00 -0.18 0.00 -0.81 0.00 0.00 59.98 58.99 3iwk h ARG 64 Cb 0.00 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.52 3iwk h ARG 64 CO 0.00 0.00 -0.83 -0.44 -1.51 0.00 0.00 179.97 177.19 3iwk h ASP 65 N 0.00 0.00 0.00 -3.80 3.32 -1.79 -3.38 116.42 110.77 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 0.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.74 3iwk h ASP 65 CO 0.00 0.83 0.00 1.87 -1.72 0.00 0.00 179.24 180.22 3iwk n TRP 66 N -3.47 -0.51 -0.03 4.55 -0.00 -0.66 -4.86 117.44 112.45 3iwk n TRP 66 Ca -0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 57.50 57.46 3iwk n TRP 66 Cb 0.82 0.40 0.20 0.00 -0.00 0.00 0.00 31.31 32.72 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 0.59 -0.02 5.87 4.64 -1.60 -2.67 113.55 120.36 3iwk h SER 67 Ca 0.00 -0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 3iwk h SER 67 Cb 0.00 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 61.93 3iwk h SER 67 CO 0.00 0.75 -0.10 0.00 -0.87 0.00 0.00 176.83 176.61 3iwk n ALA 68 N -2.48 2.68 -0.92 5.18 0.00 0.38 -4.75 120.51 120.60 3iwk n ALA 68 Ca 0.01 -0.66 -0.29 0.00 0.00 0.00 0.00 53.44 52.50 3iwk n ALA 68 Cb 0.35 -0.73 0.23 0.00 0.00 0.00 0.00 19.45 19.30 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 -1.91 0.31 0.43 0.00 0.00 -1.01 -4.80 121.76 114.77 3iwk s ALA 69 Ca 0.23 -0.57 -0.24 0.00 0.00 0.00 0.00 51.96 51.38 3iwk s ALA 69 Cb 0.18 -3.04 -0.08 0.00 0.00 0.00 0.00 23.12 20.17 3iwk s ALA 69 CO 0.33 -3.52 1.18 0.45 0.00 0.00 0.00 175.76 174.19 3iwk s SER 70 N -3.37 6.35 0.46 0.00 0.15 -1.26 -4.94 113.70 111.09 3iwk s SER 70 Ca 0.68 2.36 0.14 0.00 0.70 0.00 0.00 55.95 59.83 3iwk s SER 70 Cb -0.16 -2.61 1.09 0.00 -1.71 0.00 0.00 66.02 62.62 3iwk s SER 70 CO 0.59 -0.79 2.03 1.23 1.20 0.00 0.00 173.24 177.50 3iwk h GLY 71 N 2.39 0.39 1.62 9.45 0.00 -1.93 -2.29 103.07 112.72 3iwk h GLY 71 Ca -0.49 -0.12 -0.09 0.00 0.00 0.00 0.00 47.33 46.63 3iwk h GLY 71 CO 0.62 0.09 -0.22 1.48 0.00 0.00 0.00 176.54 178.51 3iwk h SER 72 N 0.31 0.44 -0.61 0.19 4.64 -1.85 0.97 113.55 117.64 3iwk h SER 72 Ca 0.19 -0.14 -0.01 0.00 -0.47 0.00 0.00 61.79 61.36 3iwk h SER 72 Cb 0.36 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 62.30 3iwk h SER 72 CO -0.04 0.67 0.33 0.25 -0.87 0.00 0.00 176.83 177.16 3iwk h LEU 73 N 0.40 0.77 -0.70 5.97 5.85 -1.80 -2.32 115.31 123.48 3iwk h LEU 73 Ca 0.06 -0.10 -0.13 0.00 0.84 0.00 0.00 57.88 58.55 3iwk h LEU 73 Cb 0.60 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 3iwk h LEU 73 CO 0.04 0.65 -0.47 0.03 -0.34 0.00 0.00 178.44 178.35 3iwk h ARG 74 N 0.83 0.42 -0.90 1.25 3.08 -1.40 -3.05 114.38 114.61 3iwk h ARG 74 Ca 0.21 -0.23 0.07 0.00 0.07 0.00 0.00 59.98 60.10 3iwk h ARG 74 Cb 0.06 0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.06 3iwk h ARG 74 CO -0.03 0.81 0.57 0.00 -1.07 0.00 0.00 179.97 180.24 3iwk h ALA 75 N 1.15 1.26 -0.43 0.04 0.00 -0.56 -0.20 119.26 120.52 3iwk h ALA 75 Ca 0.02 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 3iwk h ALA 75 Cb 0.96 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 3iwk h ALA 75 CO 0.08 0.30 0.08 0.00 0.00 0.00 0.00 179.25 179.72 3iwk h ARG 76 N 1.01 0.70 -0.75 0.00 -0.00 -1.31 0.31 114.38 114.35 3iwk h ARG 76 Ca 0.40 -0.18 -0.05 0.00 -0.50 0.00 0.00 59.98 59.64 3iwk h ARG 76 Cb 0.21 -0.09 -0.03 0.00 0.00 0.00 0.00 29.97 30.06 3iwk h ARG 76 CO -0.19 0.73 0.26 1.88 0.00 0.00 0.00 179.97 182.65 3iwk h TYR 77 N 0.56 1.17 -0.56 3.04 0.05 -1.46 0.39 116.97 120.16 3iwk h TYR 77 Ca 0.13 -0.10 -0.09 0.00 0.05 0.00 0.00 58.73 58.72 3iwk h TYR 77 Cb 0.36 -0.34 -0.02 0.00 1.01 0.00 0.00 36.73 37.73 3iwk h TYR 77 CO 0.02 0.91 -0.01 -0.07 -1.05 0.00 0.00 178.16 177.97 3iwk h LEU 78 N 1.10 0.95 -0.72 3.88 3.38 -0.60 -0.06 115.31 123.24 3iwk h LEU 78 Ca 0.24 -0.26 -0.14 0.00 0.09 0.00 0.00 57.88 57.82 3iwk h LEU 78 Cb 0.27 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3iwk h LEU 78 CO -0.01 1.01 -0.57 0.03 0.09 0.00 0.00 178.44 178.99 3iwk h ARG 79 N 0.89 0.21 -0.38 1.13 3.08 -0.20 -2.27 114.38 116.84 3iwk h ARG 79 Ca 0.16 -0.13 -0.11 0.00 0.07 0.00 0.00 59.98 59.97 3iwk h ARG 79 Cb 0.53 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 3iwk h ARG 79 CO 0.03 0.72 -0.20 0.00 -1.07 0.00 0.00 179.97 179.45 3iwk h ALA 80 N 1.25 0.54 -0.13 0.04 0.00 -0.61 -1.39 119.26 118.96 3iwk h ALA 80 Ca -0.00 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3iwk h ALA 80 Cb 1.05 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 3iwk h ALA 80 CO 0.09 0.49 0.09 0.82 0.00 0.00 0.00 179.25 180.73 3iwk h ILE 81 N 0.60 1.04 -0.43 0.00 2.04 -0.98 -2.04 117.51 117.73 3iwk h ILE 81 Ca 0.08 -0.09 0.07 0.00 1.00 0.00 0.00 64.86 65.93 3iwk h ILE 81 Cb 0.75 0.86 -0.06 0.00 -0.74 0.00 0.00 36.82 37.63 3iwk h ILE 81 CO 0.06 0.04 0.06 0.00 0.00 0.00 0.00 178.15 178.31 3iwk h ALA 82 N 1.04 0.45 -0.58 1.87 0.00 -1.34 -0.59 119.26 120.11 3iwk h ALA 82 Ca 0.05 0.10 0.03 0.00 0.00 0.00 0.00 54.91 55.09 3iwk h ALA 82 Cb -0.01 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 3iwk h ALA 82 CO -0.01 -0.34 0.35 0.00 0.00 0.00 0.00 179.25 179.25 3iwk h ALA 83 N 1.35 0.75 -0.29 0.00 0.00 -1.06 -0.78 119.26 119.23 3iwk h ALA 83 Ca 0.21 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3iwk h ALA 83 Cb 0.28 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3iwk h ALA 83 CO -0.30 0.08 0.13 0.87 0.00 0.00 0.00 179.25 180.03 3iwk h LYS 84 N 0.70 0.42 -0.67 0.00 6.56 -0.86 -2.31 116.57 120.41 3iwk h LYS 84 Ca 0.23 -0.07 0.09 0.00 -1.06 0.00 0.00 60.65 59.84 3iwk h LYS 84 Cb 0.02 -0.07 -0.07 0.00 -0.57 0.00 0.00 32.23 31.54 3iwk h LYS 84 CO -0.10 0.42 0.32 0.82 -2.06 0.00 0.00 179.45 178.85 3iwk h ILE 85 N 0.33 0.85 -0.54 1.86 1.08 -0.85 -2.75 117.51 117.48 3iwk h ILE 85 Ca 0.10 -0.19 -0.00 0.00 -0.39 0.00 0.00 64.86 64.37 3iwk h ILE 85 Cb 0.14 0.24 -0.03 0.00 -3.07 0.00 0.00 36.82 34.10 3iwk h ILE 85 CO -0.01 0.10 0.33 0.50 -0.69 0.00 0.00 178.15 178.38 3iwk h LYS 86 N 0.56 0.73 -0.21 2.37 3.64 -0.90 -1.63 116.57 121.12 3iwk h LYS 86 Ca 0.33 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.61 3iwk h LYS 86 Cb 0.34 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 3iwk h LYS 86 CO -0.26 0.53 -0.01 0.93 -2.27 0.00 0.00 179.45 178.37 3iwk h GLU 87 N 0.73 0.31 -0.59 1.90 5.08 -1.17 -2.81 114.58 118.04 3iwk h GLU 87 Ca 0.20 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3iwk h GLU 87 Cb -0.02 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.17 3iwk h GLU 87 CO -0.04 0.35 0.00 1.63 -1.00 0.00 0.00 179.01 179.95 3iwk n LYS 88 N -4.36 4.13 -0.16 2.33 5.02 -0.91 -4.72 118.16 119.49 3iwk n LYS 88 Ca 0.00 -2.99 -0.05 0.00 -2.02 0.00 0.00 58.31 53.26 3iwk n LYS 88 Cb 0.19 -2.03 0.02 0.00 -0.02 0.00 0.00 35.03 33.19 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 3.88 -0.14 -0.12 1.97 3.64 -1.04 -0.65 116.57 124.12 3iwk h LYS 89 Ca 0.00 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.36 3iwk h LYS 89 Cb 1.65 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 33.50 3iwk h LYS 89 CO 0.33 -0.09 -0.04 -0.44 -2.27 0.00 0.00 179.45 176.93 3iwk h ASP 90 N -0.14 0.24 0.12 4.20 3.32 -1.86 -0.23 116.42 122.07 3iwk h ASP 90 Ca 0.22 -0.39 0.02 0.00 0.02 0.00 0.00 57.03 56.90 3iwk h ASP 90 Cb 0.50 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 39.94 3iwk h ASP 90 CO -0.58 0.58 -0.31 -0.08 -1.72 0.00 0.00 179.24 177.13 3iwk h GLU 91 N -0.10 -0.51 -0.01 3.56 4.81 -1.86 -2.47 114.58 118.00 3iwk h GLU 91 Ca 0.03 0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.26 3iwk h GLU 91 Cb 0.48 0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.98 3iwk h GLU 91 CO 0.01 -0.34 -0.13 -0.07 -0.73 0.00 0.00 179.01 177.76 3iwk h LEU 92 N -0.53 0.01 0.35 1.64 3.38 -1.11 -2.66 115.31 116.40 3iwk h LEU 92 Ca 0.03 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3iwk h LEU 92 Cb 0.56 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 3iwk h LEU 92 CO -0.18 0.14 -0.23 1.23 0.09 0.00 0.00 178.44 179.49 3iwk h GLY 93 N 0.41 -0.59 1.16 0.83 0.00 -0.59 -0.25 103.07 104.05 3iwk h GLY 93 Ca 0.00 0.26 -0.06 0.00 0.00 0.00 0.00 47.33 47.53 3iwk h GLY 93 CO 0.02 -0.23 0.19 0.07 0.00 0.00 0.00 176.54 176.59 3iwk h LYS 94 N -0.57 1.05 -0.51 4.80 2.10 -1.36 -0.86 116.57 121.22 3iwk h LYS 94 Ca -0.04 -0.23 0.03 0.00 -2.00 0.00 0.00 60.65 58.42 3iwk h LYS 94 Cb 0.47 -0.15 -0.04 0.00 -0.90 0.00 0.00 32.23 31.62 3iwk h LYS 94 CO 0.03 0.91 0.29 -0.07 -2.00 0.00 0.00 179.45 178.61 3iwk h LEU 95 N 1.00 0.46 -0.58 7.07 4.07 -1.37 0.69 115.31 126.65 3iwk h LEU 95 Ca 0.22 0.01 -0.03 0.00 0.08 0.00 0.00 57.88 58.16 3iwk h LEU 95 Cb 0.31 -0.08 -0.03 0.00 1.08 0.00 0.00 40.66 41.94 3iwk h LEU 95 CO -0.00 0.32 0.25 -0.08 -1.08 0.00 0.00 178.44 177.85 3iwk h GLU 96 N 0.58 0.86 -0.30 1.13 4.57 -0.80 -0.60 114.58 120.02 3iwk h GLU 96 Ca 0.21 -0.15 -0.01 0.00 -1.18 0.00 0.00 59.36 58.23 3iwk h GLU 96 Cb 0.05 -0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 28.48 3iwk h GLU 96 CO -0.11 0.73 0.14 1.03 -1.18 0.00 0.00 179.01 179.62 3iwk h SER 97 N 0.80 0.40 -0.55 1.04 0.87 -0.63 -1.54 113.55 113.93 3iwk h SER 97 Ca 0.20 -0.14 -0.03 0.00 -1.23 0.00 0.00 61.79 60.59 3iwk h SER 97 Cb 0.18 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.01 3iwk h SER 97 CO -0.02 0.42 0.22 0.40 -0.53 0.00 0.00 176.83 177.32 3iwk h ILE 98 N 0.34 1.22 -0.16 2.23 2.04 -0.87 -1.36 117.51 120.96 3iwk h ILE 98 Ca 0.10 -0.70 -0.01 0.00 1.00 0.00 0.00 64.86 65.25 3iwk h ILE 98 Cb 0.14 0.65 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 3iwk h ILE 98 CO -0.01 0.27 0.05 -0.78 0.00 0.00 0.00 178.15 177.68 3iwk h ASP 99 N 0.76 0.22 0.00 1.72 3.58 -0.77 -3.37 116.42 118.56 3iwk h ASP 99 Ca 0.18 -0.19 0.00 0.00 0.42 0.00 0.00 57.03 57.44 3iwk h ASP 99 Cb 0.21 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.20 3iwk h ASP 99 CO -0.01 0.36 -1.41 0.00 -2.88 0.00 0.00 179.24 175.29 3iwk n GLY 101 N 1.85 0.54 3.77 0.00 0.00 -0.51 -4.30 105.19 106.54 3iwk n GLY 101 Ca -0.02 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.81 4.55 0.36 1.61 -2.85 -1.25 -3.78 119.74 117.58 3iwk s LYS 102 Ca 0.00 1.55 -0.24 0.00 -1.00 0.00 0.00 55.97 56.28 3iwk s LYS 102 Cb 0.00 -2.95 -0.14 0.00 -2.06 0.00 0.00 37.83 32.68 3iwk s LYS 102 CO 0.00 0.20 0.60 -2.30 0.10 0.00 0.00 175.35 173.96 3iwk n PRO 103 N 0.78 0.60 -0.33 1.78 -0.02 -1.26 -4.55 135.00 132.00 3iwk n PRO 103 Ca 0.01 0.22 0.01 0.00 -2.02 0.00 0.00 63.50 61.71 3iwk n PRO 103 Cb 0.48 -1.47 0.14 0.00 -0.02 0.00 0.00 33.50 32.63 3iwk n PRO 103 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3iwk h LEU 104 N 1.02 0.91 -1.82 2.45 5.85 -1.67 -1.21 115.31 120.85 3iwk h LEU 104 Ca -0.38 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.32 3iwk h LEU 104 Cb 1.40 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 42.24 3iwk h LEU 104 CO 0.54 0.60 -0.14 -0.33 -0.34 0.00 0.00 178.44 178.77 3iwk h GLU 105 N 1.05 0.00 -0.15 1.25 5.08 -1.87 0.05 114.58 120.00 3iwk h GLU 105 Ca 0.38 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.62 3iwk h GLU 105 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3iwk h GLU 105 CO -0.16 0.14 -0.36 0.93 -1.00 0.00 0.00 179.01 178.56 3iwk h GLU 106 N 0.00 0.51 -0.32 2.33 5.08 -1.58 -2.72 114.58 117.87 3iwk h GLU 106 Ca -0.00 -0.34 -0.05 0.00 -1.00 0.00 0.00 59.36 57.96 3iwk h GLU 106 Cb 0.27 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 3iwk h GLU 106 CO 0.02 0.96 -0.03 0.00 -1.00 0.00 0.00 179.01 178.96 3iwk h ALA 107 N 0.55 1.36 -0.11 3.43 0.00 -0.70 -0.80 119.26 122.98 3iwk h ALA 107 Ca -0.00 -0.21 -0.14 0.00 0.00 0.00 0.00 54.91 54.56 3iwk h ALA 107 Cb 0.96 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 3iwk h ALA 107 CO 0.08 0.44 -0.55 -0.07 0.00 0.00 0.00 179.25 179.15 3iwk h LEU 108 N 0.48 0.35 -0.50 0.00 3.38 -1.05 -1.88 115.31 116.09 3iwk h LEU 108 Ca 0.10 -0.19 -0.10 0.00 0.09 0.00 0.00 57.88 57.78 3iwk h LEU 108 Cb 0.36 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 3iwk h LEU 108 CO 0.01 0.83 -0.09 0.00 0.09 0.00 0.00 178.44 179.28 3iwk h ALA 109 N 1.18 0.68 -0.94 1.53 0.00 -1.11 -2.84 119.26 117.77 3iwk h ALA 109 Ca 0.00 -0.33 0.07 0.00 0.00 0.00 0.00 54.91 54.65 3iwk h ALA 109 Cb 1.04 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 18.59 3iwk h ALA 109 CO 0.09 0.57 0.59 -0.44 0.00 0.00 0.00 179.25 180.06 3iwk h ASP 110 N 0.80 0.93 0.42 0.00 3.45 -0.99 -2.62 116.42 118.41 3iwk h ASP 110 Ca 0.13 0.02 -0.16 0.00 0.43 0.00 0.00 57.03 57.45 3iwk h ASP 110 Cb 0.64 -0.18 -0.01 0.00 -0.56 0.00 0.00 39.33 39.23 3iwk h ASP 110 CO 0.04 0.58 -0.68 -0.07 -1.57 0.00 0.00 179.24 177.55 3iwk h LEU 111 N 1.06 0.27 0.00 1.55 3.38 -1.14 0.02 115.31 120.44 3iwk h LEU 111 Ca 0.41 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.21 3iwk h LEU 111 Cb 0.21 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3iwk h LEU 111 CO -0.19 0.86 -0.10 -0.90 0.09 0.00 0.00 178.44 178.21 3iwk n ASP 112 N -3.81 0.20 0.08 -0.43 5.68 -1.09 -2.61 116.55 114.56 3iwk n ASP 112 Ca -0.03 0.38 -0.21 0.00 -0.50 0.00 0.00 54.79 54.43 3iwk n ASP 112 Cb 0.67 -0.39 -0.12 0.00 -1.14 0.00 0.00 41.12 40.14 3iwk n ASP 112 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 3iwk h ASP 113 N 0.00 0.87 -0.54 -1.12 3.32 -1.01 -2.05 116.42 115.89 3iwk h ASP 113 Ca 0.00 -0.77 0.05 0.00 0.02 0.00 0.00 57.03 56.32 3iwk h ASP 113 Cb 0.54 -0.27 -0.05 0.00 0.22 0.00 0.00 39.33 39.77 3iwk h ASP 113 CO 0.00 1.58 0.28 0.58 -1.72 0.00 0.00 179.24 179.96 3iwk h VAL 114 N 0.30 0.96 -0.23 -1.35 2.07 -0.97 0.20 116.25 117.22 3iwk h VAL 114 Ca -0.17 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.15 3iwk h VAL 114 Cb 1.86 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.99 3iwk h VAL 114 CO 0.23 0.10 0.08 0.58 0.02 0.00 0.00 177.57 178.57 3iwk h VAL 115 N 0.54 1.19 0.00 2.57 2.07 -1.60 -2.36 116.25 118.66 3iwk h VAL 115 Ca 0.24 -0.59 -0.04 0.00 0.82 0.00 0.00 66.70 67.13 3iwk h VAL 115 Cb 0.14 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 3iwk h VAL 115 CO -0.16 0.19 -0.19 0.00 0.02 0.00 0.00 177.57 177.42 3iwk h ALA 116 N 0.91 1.65 -0.09 1.67 0.00 -0.97 -2.02 119.26 120.41 3iwk h ALA 116 Ca 0.08 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.68 3iwk h ALA 116 Cb 0.22 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.99 3iwk h ALA 116 CO -0.00 0.24 -0.44 0.00 0.00 0.00 0.00 179.25 179.05 3iwk h PHE 118 N 0.01 1.00 -0.66 0.00 0.04 -1.20 -1.85 116.94 114.29 3iwk h PHE 118 Ca -0.03 -0.09 -0.08 0.00 2.80 0.00 0.00 57.97 60.56 3iwk h PHE 118 Cb 1.09 -0.29 -0.03 0.00 2.20 0.00 0.00 35.95 38.92 3iwk h PHE 118 CO 0.12 0.81 0.09 0.93 -0.60 0.00 0.00 178.31 179.66 3iwk h GLU 119 N 0.90 1.09 -0.41 1.51 5.08 -1.40 -1.13 114.58 120.23 3iwk h GLU 119 Ca 0.21 -0.30 -0.04 0.00 -1.00 0.00 0.00 59.36 58.23 3iwk h GLU 119 Cb 0.27 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 3iwk h GLU 119 CO -0.01 1.01 0.09 -0.92 -1.00 0.00 0.00 179.01 178.17 3iwk h TYR 120 N 1.02 0.71 0.00 4.33 3.20 -0.98 -2.27 116.97 122.98 3iwk h TYR 120 Ca 0.20 -0.09 -0.02 0.00 3.14 0.00 0.00 58.73 61.96 3iwk h TYR 120 Cb 0.46 -0.20 -0.00 0.00 1.54 0.00 0.00 36.73 38.52 3iwk h TYR 120 CO 0.03 0.68 -0.09 1.88 -1.64 0.00 0.00 178.16 179.02 3iwk h TYR 121 N 0.53 0.00 -0.38 -3.82 -1.99 -1.25 -2.49 116.97 107.57 3iwk h TYR 121 Ca 0.13 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.84 3iwk h TYR 121 Cb 0.34 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.05 3iwk h TYR 121 CO 0.02 0.09 0.17 0.00 -0.00 0.00 0.00 178.16 178.44 3iwk h ALA 122 N 1.91 0.50 -0.15 3.88 0.00 -1.06 -0.99 119.26 123.34 3iwk h ALA 122 Ca -0.00 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.82 3iwk h ALA 122 Cb 1.01 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 3iwk h ALA 122 CO 0.01 0.08 -0.04 0.78 0.00 0.00 0.00 179.25 180.08 3iwk h GLY 123 N 0.48 0.10 1.75 0.00 0.00 -1.14 -0.41 103.07 103.85 3iwk h GLY 123 Ca 0.13 0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.50 3iwk h GLY 123 CO -0.01 -0.06 0.09 1.41 0.00 0.00 0.00 176.54 177.96 3iwk h LEU 124 N -0.01 0.29 -0.20 3.11 4.07 -1.39 -2.02 115.31 119.15 3iwk h LEU 124 Ca 0.08 -0.02 -0.05 0.00 0.08 0.00 0.00 57.88 57.96 3iwk h LEU 124 Cb 0.12 -0.07 -0.01 0.00 1.08 0.00 0.00 40.66 41.79 3iwk h LEU 124 CO -0.17 0.27 -0.08 0.00 -1.08 0.00 0.00 178.44 177.38 3iwk h ALA 125 N 1.78 0.28 -0.80 1.53 0.00 -0.49 -2.26 119.26 119.29 3iwk h ALA 125 Ca 0.08 -0.28 0.13 0.00 0.00 0.00 0.00 54.91 54.84 3iwk h ALA 125 Cb 0.08 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 3iwk h ALA 125 CO -0.01 0.10 0.52 0.93 0.00 0.00 0.00 179.25 180.80 3iwk h GLU 126 N 0.12 0.58 0.00 0.00 5.08 -0.64 -2.33 114.58 117.39 3iwk h GLU 126 Ca 0.05 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3iwk h GLU 126 Cb 0.56 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.68 3iwk h GLU 126 CO 0.03 0.38 -0.31 0.93 -1.00 0.00 0.00 179.01 179.04 3iwk h GLU 127 N 0.60 0.00 -0.25 2.33 5.08 -1.25 -3.38 114.58 117.71 3iwk h GLU 127 Ca 0.39 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.67 3iwk h GLU 127 Cb 0.67 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 3iwk h GLU 127 CO -0.15 0.00 -0.17 1.25 -1.00 0.00 0.00 179.01 178.94 3iwk h LEU 128 N 0.00 0.41 -1.11 1.33 5.85 -0.82 -2.87 115.31 118.11 3iwk h LEU 128 Ca 0.00 -0.11 0.01 0.00 0.84 0.00 0.00 57.88 58.61 3iwk h LEU 128 Cb 0.86 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.73 3iwk h LEU 128 CO 0.00 0.60 0.58 0.44 -0.34 0.00 0.00 178.44 179.73 3iwk h ASP 129 N 0.39 1.03 0.63 1.25 5.19 -1.75 -2.13 116.42 121.04 3iwk h ASP 129 Ca 0.07 -0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.45 3iwk h ASP 129 Cb 0.52 -0.26 0.00 0.00 0.18 0.00 0.00 39.33 39.78 3iwk h ASP 129 CO 0.03 0.76 0.00 -1.54 -3.12 0.00 0.00 179.24 175.37 3iwk n SER 130 N -4.39 0.00 -0.03 6.45 3.41 -1.08 -2.68 113.62 115.29 3iwk n SER 130 Ca 0.10 0.05 0.12 0.00 -0.26 0.00 0.00 58.87 58.87 3iwk n SER 130 Cb 0.03 -0.34 0.18 0.00 -0.26 0.00 0.00 64.21 63.82 3iwk n SER 130 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3iwk n LYS 131 N -1.34 0.09 -2.57 4.33 5.02 -0.80 -4.93 118.16 117.95 3iwk n LYS 131 Ca 0.11 -0.06 -0.34 0.00 -2.02 0.00 0.00 58.31 56.00 3iwk n LYS 131 Cb 0.25 -1.50 -0.04 0.00 -0.02 0.00 0.00 35.03 33.72 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 -2.95 3.91 -1.36 1.97 -1.52 -1.09 -3.61 119.66 115.01 3iwk s GLN 132 Ca 0.12 1.37 -0.03 0.00 -1.95 0.00 0.00 55.36 54.86 3iwk s GLN 132 Cb 0.17 -2.19 0.00 0.00 -0.22 0.00 0.00 33.01 30.78 3iwk s GLN 132 CO 0.72 -0.33 0.41 1.63 -0.25 0.00 0.00 175.29 177.47 3iwk n LYS 133 N -0.75 -3.61 -2.15 2.91 5.02 -0.19 -4.95 118.16 114.44 3iwk n LYS 133 Ca 0.08 0.79 -0.43 0.00 -2.02 0.00 0.00 58.31 56.74 3iwk n LYS 133 Cb 0.52 -5.34 -0.03 0.00 -0.02 0.00 0.00 35.03 30.16 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 -3.04 3.57 0.37 7.82 0.00 -1.15 -4.70 121.76 124.63 3iwk s ALA 134 Ca 0.20 0.71 -0.26 0.00 0.00 0.00 0.00 51.96 52.61 3iwk s ALA 134 Cb -0.09 -3.73 -0.09 0.00 0.00 0.00 0.00 23.12 19.21 3iwk s ALA 134 CO 0.25 -1.43 1.15 -1.25 0.00 0.00 0.00 175.76 174.49 3iwk s PRO 135 N 3.99 4.20 -0.09 0.00 0.04 -1.26 -1.40 135.00 140.48 3iwk s PRO 135 Ca 0.67 1.81 0.00 0.00 0.04 0.00 0.00 61.00 63.53 3iwk s PRO 135 Cb -0.28 -2.78 -0.03 0.00 0.04 0.00 0.00 34.50 31.45 3iwk s PRO 135 CO 0.25 -0.18 -0.09 0.96 0.04 0.00 0.00 177.00 177.98 3iwk s ILE 136 N -1.38 3.50 0.08 0.56 -5.25 -0.63 -4.92 121.20 113.17 3iwk s ILE 136 Ca 0.54 -0.54 -0.30 0.00 -0.99 0.00 0.00 60.65 59.36 3iwk s ILE 136 Cb -0.30 -2.44 -0.05 0.00 2.95 0.00 0.00 42.46 42.61 3iwk s ILE 136 CO 0.39 0.57 0.98 -0.55 -1.79 0.00 0.00 174.94 174.53 3iwk s SER 137 N -0.41 7.45 0.08 4.36 0.15 -1.26 -4.33 113.70 119.74 3iwk s SER 137 Ca 0.06 1.78 0.08 0.00 0.70 0.00 0.00 55.95 58.56 3iwk s SER 137 Cb -0.12 -2.58 -0.04 0.00 -1.71 0.00 0.00 66.02 61.57 3iwk s SER 137 CO 0.02 -0.13 -0.19 -0.76 1.20 0.00 0.00 173.24 173.39 3iwk s LEU 138 N 0.26 2.64 -0.71 3.45 1.02 -1.26 -5.07 118.68 119.01 3iwk s LEU 138 Ca 0.49 -0.51 -0.02 0.00 0.02 0.00 0.00 54.13 54.10 3iwk s LEU 138 Cb -0.23 -1.52 0.28 0.00 0.02 0.00 0.00 46.19 44.75 3iwk s LEU 138 CO 0.30 0.21 2.22 -0.81 0.02 0.00 0.00 176.35 178.29 3iwk n PRO 139 N 1.15 2.62 0.00 1.29 -0.04 -1.26 -4.50 135.00 134.26 3iwk n PRO 139 Ca -0.16 -3.12 0.00 0.00 -0.04 0.00 0.00 63.50 60.18 3iwk n PRO 139 Cb 0.52 -2.21 0.00 0.00 -0.04 0.00 0.00 33.50 31.77 3iwk n PRO 139 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3iwk n MET 140 N -0.19 0.00 0.00 0.54 0.00 -1.26 -5.05 117.12 111.16 3iwk n MET 140 Ca 0.53 0.00 0.00 0.00 0.00 0.00 0.00 57.70 58.23 3iwk n MET 140 Cb 0.37 -0.25 0.00 0.00 0.00 0.00 0.00 33.22 33.34 3iwk n MET 140 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 3iwk n ASP 141 N -1.30 0.00 0.06 3.17 5.68 -1.26 -4.80 116.55 118.09 3iwk n ASP 141 Ca 0.00 0.00 0.11 0.00 -0.50 0.00 0.00 54.79 54.40 3iwk n ASP 141 Cb 0.00 -0.01 0.46 0.00 -1.14 0.00 0.00 41.12 40.42 3iwk n ASP 141 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3iwk n THR 142 N -2.00 0.61 -4.21 2.12 -2.24 -1.26 -4.83 114.28 102.47 3iwk n THR 142 Ca 0.00 0.06 -0.19 0.00 -2.27 0.00 0.00 64.05 61.65 3iwk n THR 142 Cb 0.00 -0.82 -0.12 0.00 -2.10 0.00 0.00 70.33 67.30 3iwk n THR 142 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3iwk s PHE 143 N -3.10 1.38 -0.03 4.78 0.40 -1.26 -0.83 117.98 119.32 3iwk s PHE 143 Ca 0.09 -0.47 0.02 0.00 -0.60 0.00 0.00 56.93 55.97 3iwk s PHE 143 Cb 0.13 -0.76 0.01 0.00 0.51 0.00 0.00 43.02 42.91 3iwk s PHE 143 CO 0.44 0.11 -0.08 0.21 0.70 0.00 0.00 175.22 176.60 3iwk s LYS 144 N -1.98 0.98 0.01 0.44 2.20 -0.02 -4.88 119.74 116.48 3iwk s LYS 144 Ca 0.02 -0.26 0.01 0.00 -0.36 0.00 0.00 55.97 55.39 3iwk s LYS 144 Cb -0.09 -0.91 -0.01 0.00 -1.51 0.00 0.00 37.83 35.31 3iwk s LYS 144 CO 0.03 0.05 -0.05 0.45 -0.36 0.00 0.00 175.35 175.47 3iwk s SER 145 N 0.42 0.55 0.23 1.43 0.15 -1.26 -0.01 113.70 115.21 3iwk s SER 145 Ca -0.07 -0.20 -0.10 0.00 0.70 0.00 0.00 55.95 56.28 3iwk s SER 145 Cb -0.11 -0.03 -0.01 0.00 -1.71 0.00 0.00 66.02 64.17 3iwk s SER 145 CO 0.01 -0.02 0.40 -0.72 1.20 0.00 0.00 173.24 174.10 3iwk s TYR 146 N -0.44 0.49 0.07 3.44 -0.85 -0.60 -1.60 117.35 117.86 3iwk s TYR 146 Ca -0.02 -0.83 0.06 0.00 -0.52 0.00 0.00 57.07 55.76 3iwk s TYR 146 Cb -0.04 0.04 -0.04 0.00 0.38 0.00 0.00 41.96 42.30 3iwk s TYR 146 CO -0.00 -0.90 -0.07 0.96 -1.52 0.00 0.00 175.55 174.02 3iwk s ILE 147 N -4.03 3.58 -0.03 -3.49 -4.36 -0.49 -1.17 121.20 111.21 3iwk s ILE 147 Ca 0.24 -1.07 0.08 0.00 -0.26 0.00 0.00 60.65 59.64 3iwk s ILE 147 Cb 0.01 -2.65 -0.02 0.00 1.25 0.00 0.00 42.46 41.05 3iwk s ILE 147 CO 0.08 0.19 -0.26 -0.76 0.24 0.00 0.00 174.94 174.44 3iwk s LEU 148 N -2.01 2.05 -0.30 0.37 1.43 -0.28 -1.02 118.68 118.92 3iwk s LEU 148 Ca 0.21 -0.48 -0.07 0.00 -1.03 0.00 0.00 54.13 52.76 3iwk s LEU 148 Cb -0.11 -1.34 0.01 0.00 0.03 0.00 0.00 46.19 44.78 3iwk s LEU 148 CO 0.13 0.30 0.09 -0.54 0.23 0.00 0.00 176.35 176.57 3iwk s LYS 149 N -0.50 3.14 0.16 1.70 -0.14 -1.26 -0.83 119.74 122.01 3iwk s LYS 149 Ca 0.07 -0.83 0.11 0.00 -1.36 0.00 0.00 55.97 53.95 3iwk s LYS 149 Cb -0.11 -3.41 -0.04 0.00 -1.68 0.00 0.00 37.83 32.59 3iwk s LYS 149 CO 0.00 -0.44 -0.22 -1.21 -0.76 0.00 0.00 175.35 172.72 3iwk s GLU 150 N 1.52 1.59 0.50 1.68 2.02 -0.54 -4.91 118.70 120.56 3iwk s GLU 150 Ca 0.03 -1.38 -0.23 0.00 0.02 0.00 0.00 54.97 53.40 3iwk s GLU 150 Cb -0.17 -1.95 -0.06 0.00 0.10 0.00 0.00 34.13 32.05 3iwk s GLU 150 CO 0.03 0.43 1.37 -1.25 0.02 0.00 0.00 175.26 175.86 3iwk s PRO 151 N -2.42 3.41 0.42 0.39 0.04 -1.25 0.46 135.00 136.04 3iwk s PRO 151 Ca 0.19 2.27 0.21 0.00 0.04 0.00 0.00 61.00 63.71 3iwk s PRO 151 Cb -0.09 -2.43 0.88 0.00 0.04 0.00 0.00 34.50 32.90 3iwk s PRO 151 CO 0.09 -0.99 1.82 0.97 0.04 0.00 0.00 177.00 178.94 3iwk h ILE 152 N 1.82 0.75 0.00 0.56 6.09 -1.37 -3.42 117.51 121.95 3iwk h ILE 152 Ca -0.51 -1.22 0.00 0.00 -1.37 0.00 0.00 64.86 61.76 3iwk h ILE 152 Cb 1.28 1.77 0.00 0.00 0.47 0.00 0.00 36.82 40.34 3iwk h ILE 152 CO 0.59 0.28 0.00 0.61 -3.07 0.00 0.00 178.15 176.56 3iwk n GLY 153 N 0.01 0.19 3.68 8.18 0.00 -1.26 -4.83 105.19 111.16 3iwk n GLY 153 Ca -0.00 -1.30 -0.40 0.00 0.00 0.00 0.00 46.02 44.31 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 4.97 -0.09 1.61 1.01 -1.26 -2.15 120.40 124.49 3iwk s VAL 154 Ca 0.00 1.45 0.04 0.00 0.00 0.00 0.00 61.98 63.47 3iwk s VAL 154 Cb 0.00 -4.06 -0.01 0.00 0.00 0.00 0.00 36.38 32.32 3iwk s VAL 154 CO 0.00 0.12 -0.22 0.68 0.00 0.00 0.00 175.10 175.69 3iwk s VAL 155 N 1.65 2.32 -0.31 2.92 -7.23 -0.26 -0.02 120.40 119.47 3iwk s VAL 155 Ca 0.36 -0.95 -0.20 0.00 -1.81 0.00 0.00 61.98 59.38 3iwk s VAL 155 Cb -0.17 -1.89 -0.01 0.00 0.56 0.00 0.00 36.38 34.87 3iwk s VAL 155 CO 0.14 0.56 0.60 0.00 -0.31 0.00 0.00 175.10 176.09 3iwk s ALA 156 N 0.10 3.52 -0.35 1.32 0.00 0.24 -0.83 121.76 125.77 3iwk s ALA 156 Ca -0.10 -0.71 -0.03 0.00 0.00 0.00 0.00 51.96 51.12 3iwk s ALA 156 Cb -0.16 -3.07 0.07 0.00 0.00 0.00 0.00 23.12 19.97 3iwk s ALA 156 CO 0.06 -1.08 0.10 -0.51 0.00 0.00 0.00 175.76 174.33 3iwk s LEU 157 N 2.55 4.52 -0.25 0.00 1.02 0.35 -0.67 118.68 126.21 3iwk s LEU 157 Ca 0.24 -1.57 -0.02 0.00 0.02 0.00 0.00 54.13 52.80 3iwk s LEU 157 Cb -0.15 -1.78 0.02 0.00 0.02 0.00 0.00 46.19 44.30 3iwk s LEU 157 CO 0.12 -0.39 -0.06 -0.63 0.02 0.00 0.00 176.35 175.41 3iwk s ILE 158 N 1.23 2.90 0.24 -0.59 1.01 -0.77 0.01 121.20 125.22 3iwk s ILE 158 Ca 0.01 -0.99 0.11 0.00 0.00 0.00 0.00 60.65 59.79 3iwk s ILE 158 Cb -0.21 -2.46 -0.05 0.00 0.01 0.00 0.00 42.46 39.76 3iwk s ILE 158 CO -0.02 0.22 -0.20 0.42 0.00 0.00 0.00 174.94 175.36 3iwk s THR 159 N 1.34 2.31 0.44 2.92 -4.23 -1.08 -1.92 115.64 115.42 3iwk s THR 159 Ca 0.01 -2.24 0.05 0.00 -1.18 0.00 0.00 61.69 58.33 3iwk s THR 159 Cb -0.16 -2.18 0.01 0.00 1.34 0.00 0.00 72.50 71.51 3iwk s THR 159 CO -0.05 -0.33 0.62 -2.16 -0.54 0.00 0.00 174.62 172.16 3iwk s PRO 160 N -3.22 2.82 0.05 3.99 0.04 -1.24 -2.49 135.00 134.95 3iwk s PRO 160 Ca 0.25 -1.00 0.27 0.00 0.04 0.00 0.00 61.00 60.56 3iwk s PRO 160 Cb -0.05 -2.68 0.81 0.00 0.04 0.00 0.00 34.50 32.62 3iwk s PRO 160 CO 0.12 -0.33 1.66 -2.67 0.04 0.00 0.00 177.00 175.82 3iwk n TRP 161 N -1.97 0.24 -0.02 0.56 4.27 -1.26 -3.96 117.44 115.30 3iwk n TRP 161 Ca 0.06 0.07 -0.11 0.00 -3.89 0.00 0.00 57.50 53.63 3iwk n TRP 161 Cb 0.59 -0.53 0.02 0.00 -1.36 0.00 0.00 31.31 30.03 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 0.73 -2.80 -0.67 -1.07 -1.96 -3.30 115.58 106.52 3iwk h ASN 162 Ca 0.00 -0.40 -0.61 0.00 0.07 0.00 0.00 56.30 55.36 3iwk h ASN 162 Cb 0.58 -0.21 -0.40 0.00 -2.07 0.00 0.00 38.32 36.21 3iwk h ASN 162 CO 0.00 1.14 -0.73 -1.22 0.07 0.00 0.00 177.43 176.70 3iwk n TYR 163 N -3.97 1.69 0.12 4.14 4.01 -1.26 -5.00 117.16 116.89 3iwk n TYR 163 Ca -0.04 -3.93 -0.14 0.00 -0.16 0.00 0.00 57.90 53.63 3iwk n TYR 163 Cb 0.62 -0.29 -0.07 0.00 -0.31 0.00 0.00 39.34 39.29 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 5.45 -0.59 -0.05 -0.72 0.11 -1.69 -0.35 132.00 134.17 3iwk h PRO 164 Ca 0.19 0.04 -0.07 0.00 0.11 0.00 0.00 66.00 66.27 3iwk h PRO 164 Cb 0.81 0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.06 3iwk h PRO 164 CO 0.59 -0.39 -0.25 0.35 -0.21 0.00 0.00 178.00 178.09 3iwk h PHE 165 N -0.61 0.34 -0.33 0.65 3.57 -1.91 -3.04 116.94 115.61 3iwk h PHE 165 Ca 0.02 -0.15 -0.02 0.00 3.53 0.00 0.00 57.97 61.36 3iwk h PHE 165 Cb 0.64 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.31 3iwk h PHE 165 CO -0.32 0.88 0.14 1.25 -2.23 0.00 0.00 178.31 178.03 3iwk h LEU 166 N -0.30 0.45 -1.04 0.59 5.85 -1.84 -0.56 115.31 118.46 3iwk h LEU 166 Ca -0.02 -0.15 -0.05 0.00 0.84 0.00 0.00 57.88 58.50 3iwk h LEU 166 Cb 0.92 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.81 3iwk h LEU 166 CO 0.05 0.48 0.08 0.24 -0.34 0.00 0.00 178.44 178.95 3iwk h MET 167 N 0.40 0.77 -0.36 1.25 2.86 -1.19 0.04 114.93 118.70 3iwk h MET 167 Ca 0.11 -0.17 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 3iwk h MET 167 Cb 0.16 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.69 3iwk h MET 167 CO -0.01 0.72 0.15 0.00 1.06 0.00 0.00 176.91 178.83 3iwk h ALA 168 N 1.35 0.46 -0.70 6.32 0.00 -1.36 -3.13 119.26 122.20 3iwk h ALA 168 Ca 0.16 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3iwk h ALA 168 Cb 0.33 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 3iwk h ALA 168 CO 0.00 0.06 0.31 1.15 0.00 0.00 0.00 179.25 180.78 3iwk h THR 169 N 0.43 1.24 -0.37 0.00 2.02 -0.62 0.12 112.91 115.74 3iwk h THR 169 Ca 0.12 -0.71 0.11 0.00 0.77 0.00 0.00 66.41 66.70 3iwk h THR 169 Cb 0.17 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 66.97 3iwk h THR 169 CO -0.01 0.29 0.43 -0.50 0.37 0.00 0.00 175.52 176.09 3iwk h TRP 170 N 0.99 0.00 0.00 3.16 4.06 -0.95 -1.49 115.95 121.72 3iwk h TRP 170 Ca 0.24 0.00 -0.37 0.00 2.06 0.00 0.00 58.89 60.82 3iwk h TRP 170 Cb 0.16 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 28.26 3iwk h TRP 170 CO 0.01 0.00 -2.34 1.63 -3.56 0.00 0.00 178.44 174.18 3iwk n LYS 171 N -3.65 0.56 0.09 0.49 5.02 -0.79 -4.53 118.16 115.35 3iwk n LYS 171 Ca 0.06 0.17 -0.13 0.00 -2.02 0.00 0.00 58.31 56.39 3iwk n LYS 171 Cb 0.59 -1.43 -0.08 0.00 -0.02 0.00 0.00 35.03 34.09 3iwk n LYS 171 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 3iwk h ILE 172 N -0.32 0.94 0.12 -0.18 2.04 -0.48 -2.72 117.51 116.91 3iwk h ILE 172 Ca -0.56 -0.33 0.02 0.00 1.00 0.00 0.00 64.86 64.99 3iwk h ILE 172 Cb 1.71 1.14 -0.04 0.00 -0.74 0.00 0.00 36.82 38.89 3iwk h ILE 172 CO -0.19 0.08 -0.39 0.00 0.00 0.00 0.00 178.15 177.65 3iwk h ALA 173 N 0.48 -0.68 -0.53 1.87 0.00 -1.52 0.12 119.26 119.00 3iwk h ALA 173 Ca -0.02 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 3iwk h ALA 173 Cb 0.28 0.65 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 3iwk h ALA 173 CO 0.03 -0.95 -0.00 -1.00 0.00 0.00 0.00 179.25 177.33 3iwk h PRO 174 N -0.62 0.90 -0.40 0.00 0.13 -1.78 0.19 132.00 130.43 3iwk h PRO 174 Ca 0.02 -0.26 0.01 0.00 -0.87 0.00 0.00 66.00 64.90 3iwk h PRO 174 Cb 0.65 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 31.67 3iwk h PRO 174 CO -0.22 0.90 0.26 0.00 -0.23 0.00 0.00 178.00 178.70 3iwk h ALA 175 N 1.15 0.50 -0.26 -0.56 0.00 -1.21 0.91 119.26 119.80 3iwk h ALA 175 Ca 0.16 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 3iwk h ALA 175 Cb 0.50 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3iwk h ALA 175 CO 0.02 -0.06 -0.05 -0.07 0.00 0.00 0.00 179.25 179.10 3iwk h LEU 176 N 0.52 0.49 -1.18 0.00 3.38 -0.65 -0.81 115.31 117.06 3iwk h LEU 176 Ca 0.15 -0.36 0.14 0.00 0.09 0.00 0.00 57.88 57.90 3iwk h LEU 176 Cb -0.04 -0.13 -0.08 0.00 0.09 0.00 0.00 40.66 40.50 3iwk h LEU 176 CO -0.04 0.74 0.60 0.00 0.09 0.00 0.00 178.44 179.82 3iwk h ALA 177 N 0.77 1.72 0.00 1.53 0.00 -0.76 -1.18 119.26 121.35 3iwk h ALA 177 Ca 0.07 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 3iwk h ALA 177 Cb 0.51 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3iwk h ALA 177 CO 0.02 0.02 -0.28 0.00 0.00 0.00 0.00 179.25 179.02 3iwk h ALA 178 N 1.58 1.09 0.00 0.00 0.00 -0.65 -3.44 119.26 117.84 3iwk h ALA 178 Ca 0.47 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3iwk h ALA 178 Cb 0.66 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3iwk h ALA 178 CO -0.24 0.35 0.00 0.41 0.00 0.00 0.00 179.25 179.77 3iwk n GLY 179 N -0.02 1.33 3.90 0.00 0.00 -0.45 -3.96 105.19 106.00 3iwk n GLY 179 Ca -0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 3iwk n GLY 179 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iwk s ALA 181 N -2.96 3.06 0.06 0.00 0.00 -0.91 -4.52 121.76 116.49 3iwk s ALA 181 Ca 0.52 -0.82 0.07 0.00 0.00 0.00 0.00 51.96 51.73 3iwk s ALA 181 Cb -0.11 -1.54 -0.03 0.00 0.00 0.00 0.00 23.12 21.44 3iwk s ALA 181 CO 0.47 0.29 -0.15 0.00 0.00 0.00 0.00 175.76 176.37 3iwk s ALA 182 N 0.10 2.72 -0.27 0.00 0.00 0.75 -1.10 121.76 123.95 3iwk s ALA 182 Ca -0.00 -1.20 -0.02 0.00 0.00 0.00 0.00 51.96 50.74 3iwk s ALA 182 Cb -0.13 -0.80 0.04 0.00 0.00 0.00 0.00 23.12 22.22 3iwk s ALA 182 CO 0.03 0.59 -0.03 0.42 0.00 0.00 0.00 175.76 176.76 3iwk s ILE 183 N -1.01 2.94 -0.12 0.00 1.09 -0.01 -0.93 121.20 123.15 3iwk s ILE 183 Ca 0.16 -1.19 -0.21 0.00 -1.10 0.00 0.00 60.65 58.31 3iwk s ILE 183 Cb -0.11 -2.58 -0.03 0.00 -1.06 0.00 0.00 42.46 38.68 3iwk s ILE 183 CO 0.08 0.06 0.63 -0.22 -0.10 0.00 0.00 174.94 175.38 3iwk s LEU 184 N 1.29 4.25 -0.55 2.97 2.96 0.17 -0.50 118.68 129.28 3iwk s LEU 184 Ca -0.02 0.98 0.04 0.00 -0.22 0.00 0.00 54.13 54.91 3iwk s LEU 184 Cb -0.18 -2.93 0.14 0.00 0.50 0.00 0.00 46.19 43.72 3iwk s LEU 184 CO -0.03 -0.14 0.30 -0.75 -1.32 0.00 0.00 176.35 174.41 3iwk s LYS 185 N 1.14 2.04 0.88 1.98 2.36 0.10 -0.70 119.74 127.54 3iwk s LYS 185 Ca 0.32 -2.73 -0.12 0.00 -2.55 0.00 0.00 55.97 50.89 3iwk s LYS 185 Cb -0.16 -3.30 0.12 0.00 -1.05 0.00 0.00 37.83 33.43 3iwk s LYS 185 CO 0.14 -1.14 1.12 -1.25 1.55 0.00 0.00 175.35 175.76 3iwk s PRO 186 N -0.48 1.36 0.28 4.03 0.04 -1.26 -2.63 135.00 136.35 3iwk s PRO 186 Ca 0.18 0.44 -0.29 0.00 0.04 0.00 0.00 61.00 61.37 3iwk s PRO 186 Cb -0.22 -1.85 -0.10 0.00 0.04 0.00 0.00 34.50 32.37 3iwk s PRO 186 CO -0.03 -2.08 1.40 0.45 0.04 0.00 0.00 177.00 176.78 3iwk s SER 187 N -3.90 6.68 0.57 6.66 0.15 -1.04 -4.58 113.70 118.24 3iwk s SER 187 Ca 0.63 2.69 0.35 0.00 0.70 0.00 0.00 55.95 60.32 3iwk s SER 187 Cb -0.15 -2.63 1.93 0.00 -1.71 0.00 0.00 66.02 63.45 3iwk s SER 187 CO 0.54 -0.66 2.08 1.05 1.20 0.00 0.00 173.24 177.45 3iwk h GLU 188 N 4.41 0.00 0.00 5.44 9.09 -1.93 -1.97 114.58 129.62 3iwk h GLU 188 Ca -0.47 0.00 -0.16 0.00 0.05 0.00 0.00 59.36 58.78 3iwk h GLU 188 Cb 1.22 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.30 3iwk h GLU 188 CO 0.73 0.00 -0.75 -0.07 0.05 0.00 0.00 179.01 178.97 3iwk h LEU 189 N 0.00 0.00 -6.26 3.06 3.38 -1.93 -3.43 115.31 110.13 3iwk h LEU 189 Ca 0.00 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.70 3iwk h LEU 189 Cb 0.15 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 40.63 3iwk h LEU 189 CO 0.00 0.75 -0.61 0.00 0.09 0.00 0.00 178.44 178.67 3iwk s ALA 190 N -3.03 -1.00 -0.09 1.53 0.00 -0.74 -4.78 121.76 113.65 3iwk s ALA 190 Ca 0.01 -0.52 0.01 0.00 0.00 0.00 0.00 51.96 51.46 3iwk s ALA 190 Cb 0.10 -2.22 0.00 0.00 0.00 0.00 0.00 23.12 21.01 3iwk s ALA 190 CO 0.78 -2.10 0.35 0.43 0.00 0.00 0.00 175.76 175.22 3iwk n SER 191 N 4.45 0.70 -0.14 0.00 7.64 -1.24 -4.44 113.62 120.61 3iwk n SER 191 Ca 0.09 -0.85 -0.10 0.00 1.01 0.00 0.00 58.87 59.03 3iwk n SER 191 Cb 0.49 0.36 -0.01 0.00 -1.01 0.00 0.00 64.21 64.04 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 0.12 1.23 -0.14 0.44 -1.51 -1.93 -1.39 116.25 113.07 3iwk h VAL 192 Ca 0.00 -0.80 -0.17 0.00 -1.23 0.00 0.00 66.70 64.50 3iwk h VAL 192 Cb 0.03 0.98 -0.01 0.00 -2.13 0.00 0.00 31.29 30.17 3iwk h VAL 192 CO 0.00 0.28 -0.62 0.71 -1.23 0.00 0.00 177.57 176.71 3iwk h THR 193 N 0.51 1.34 -0.83 7.19 1.35 -1.90 -1.22 112.91 119.36 3iwk h THR 193 Ca 0.13 -1.92 -0.04 0.00 -0.55 0.00 0.00 66.41 64.03 3iwk h THR 193 Cb 0.32 1.90 -0.04 0.00 -1.73 0.00 0.00 68.15 68.61 3iwk h THR 193 CO 0.00 0.59 0.38 0.00 -0.25 0.00 0.00 175.52 176.24 3iwk h LEU 195 N 1.19 0.40 -1.42 0.00 3.38 -1.08 -2.80 115.31 114.97 3iwk h LEU 195 Ca 0.28 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 3iwk h LEU 195 Cb 0.15 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3iwk h LEU 195 CO -0.03 0.69 -0.11 -0.08 0.09 0.00 0.00 178.44 179.00 3iwk h GLU 196 N 0.34 0.24 0.00 1.13 4.57 -0.68 -1.87 114.58 118.31 3iwk h GLU 196 Ca 0.04 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.15 3iwk h GLU 196 Cb 0.72 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 29.27 3iwk h GLU 196 CO 0.05 0.37 -0.09 1.25 -1.18 0.00 0.00 179.01 179.41 3iwk h LEU 197 N 0.23 0.00 -1.28 1.64 5.85 -0.97 -2.34 115.31 118.43 3iwk h LEU 197 Ca 0.05 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.78 3iwk h LEU 197 Cb 0.35 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.35 3iwk h LEU 197 CO 0.02 0.09 0.48 1.23 -0.34 0.00 0.00 178.44 179.92 3iwk h GLY 198 N 0.29 1.03 1.03 3.75 0.00 -1.35 -1.78 103.07 106.02 3iwk h GLY 198 Ca -0.00 -0.38 -0.16 0.00 0.00 0.00 0.00 47.33 46.79 3iwk h GLY 198 CO 0.01 0.37 -0.46 -2.09 0.00 0.00 0.00 176.54 174.37 3iwk h GLU 199 N 0.99 0.73 -0.76 4.80 4.57 -1.50 -3.09 114.58 120.31 3iwk h GLU 199 Ca 0.27 -0.47 0.05 0.00 -1.18 0.00 0.00 59.36 58.03 3iwk h GLU 199 Cb -0.11 0.06 -0.05 0.00 -0.16 0.00 0.00 28.75 28.49 3iwk h GLU 199 CO -0.06 1.09 0.50 0.82 -1.18 0.00 0.00 179.01 180.19 3iwk h ILE 200 N 0.46 1.07 0.00 2.32 2.04 -1.27 -1.77 117.51 120.36 3iwk h ILE 200 Ca 0.01 -0.30 -0.00 0.00 1.00 0.00 0.00 64.86 65.57 3iwk h ILE 200 Cb 1.07 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 37.28 3iwk h ILE 200 CO 0.10 0.16 -0.00 0.00 0.00 0.00 0.00 178.15 178.41 3iwk h LYS 202 N -0.01 0.28 -0.42 0.00 3.64 -1.26 0.91 116.57 119.71 3iwk h LYS 202 Ca -0.00 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 3iwk h LYS 202 Cb 0.01 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 3iwk h LYS 202 CO 0.00 0.19 0.13 0.93 -2.27 0.00 0.00 179.45 178.43 3iwk h GLU 203 N 0.29 0.65 0.00 1.90 5.08 -1.38 -2.61 114.58 118.50 3iwk h GLU 203 Ca 0.19 -0.14 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 3iwk h GLU 203 Cb 0.19 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 3iwk h GLU 203 CO -0.21 0.64 -0.17 0.28 -1.00 0.00 0.00 179.01 178.55 3iwk h VAL 204 N 0.53 0.57 -0.23 3.13 2.07 -1.07 -3.47 116.25 117.78 3iwk h VAL 204 Ca 0.13 -0.78 0.00 0.00 0.82 0.00 0.00 66.70 66.87 3iwk h VAL 204 Cb 0.26 1.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 3iwk h VAL 204 CO -0.00 0.16 0.00 0.61 0.02 0.00 0.00 177.57 178.36 3iwk n GLY 205 N -0.35 0.86 3.69 2.17 0.00 0.23 -5.01 105.19 106.78 3iwk n GLY 205 Ca -0.01 -0.60 -0.42 0.00 0.00 0.00 0.00 46.02 44.99 3iwk n GLY 205 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3iwk s LEU 206 N -0.23 4.39 0.18 0.99 2.96 -0.68 -4.88 118.68 121.40 3iwk s LEU 206 Ca 0.00 2.68 -0.32 0.00 -0.22 0.00 0.00 54.13 56.27 3iwk s LEU 206 Cb 0.00 -3.57 -0.16 0.00 0.50 0.00 0.00 46.19 42.96 3iwk s LEU 206 CO 0.00 -0.97 1.01 -2.65 -1.32 0.00 0.00 176.35 172.43 3iwk n PRO 207 N 5.59 0.88 -1.94 0.98 -0.02 -1.26 -4.82 135.00 134.41 3iwk n PRO 207 Ca 0.17 0.31 -0.41 0.00 -2.02 0.00 0.00 63.50 61.55 3iwk n PRO 207 Cb 0.39 -1.70 -0.02 0.00 -0.02 0.00 0.00 33.50 32.15 3iwk n PRO 207 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 3iwk s ARG 208 N -0.65 4.22 0.00 -0.52 1.70 -1.26 -2.68 118.95 119.76 3iwk s ARG 208 Ca 0.71 2.40 0.00 0.00 -0.47 0.00 0.00 55.73 58.37 3iwk s ARG 208 Cb -0.88 -3.05 0.00 0.00 -0.57 0.00 0.00 34.95 30.45 3iwk s ARG 208 CO 0.55 -0.44 0.00 0.41 -1.08 0.00 0.00 175.30 174.74 3iwk n GLY 209 N 1.52 1.26 0.15 3.88 0.00 -1.26 -4.64 105.19 106.11 3iwk n GLY 209 Ca 0.04 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.91 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 1.39 -3.18 1.61 2.07 -1.80 -3.27 116.25 113.06 3iwk h VAL 210 Ca 0.00 -1.78 -0.63 0.00 0.82 0.00 0.00 66.70 65.11 3iwk h VAL 210 Cb 0.00 2.23 -0.35 0.00 -1.52 0.00 0.00 31.29 31.65 3iwk h VAL 210 CO 0.00 0.53 -0.85 -0.22 0.02 0.00 0.00 177.57 177.05 3iwk s LEU 211 N -8.64 1.91 -0.09 2.57 2.96 -1.26 -0.18 118.68 115.95 3iwk s LEU 211 Ca -0.13 -0.53 0.04 0.00 -0.22 0.00 0.00 54.13 53.28 3iwk s LEU 211 Cb 0.05 -1.29 0.00 0.00 0.50 0.00 0.00 46.19 45.45 3iwk s LEU 211 CO 0.81 0.02 -0.21 0.20 -1.32 0.00 0.00 176.35 175.84 3iwk s ASN 212 N 1.07 2.78 -0.26 3.68 0.01 -0.11 -4.71 114.94 117.41 3iwk s ASN 212 Ca -0.03 -0.50 -0.02 0.00 -0.71 0.00 0.00 52.86 51.60 3iwk s ASN 212 Cb -0.14 -1.23 0.02 0.00 0.41 0.00 0.00 41.25 40.31 3iwk s ASN 212 CO -0.05 0.14 -0.04 -0.63 -1.51 0.00 0.00 177.10 175.01 3iwk s ILE 213 N 0.37 3.04 -0.29 0.60 1.01 0.14 0.43 121.20 126.50 3iwk s ILE 213 Ca -0.17 -1.00 0.02 0.00 0.00 0.00 0.00 60.65 59.51 3iwk s ILE 213 Cb -0.17 -2.56 0.08 0.00 0.01 0.00 0.00 42.46 39.82 3iwk s ILE 213 CO 0.07 0.16 -0.01 -0.69 0.00 0.00 0.00 174.94 174.48 3iwk s VAL 214 N 1.35 1.86 0.26 2.92 1.01 0.12 -1.97 120.40 125.94 3iwk s VAL 214 Ca 0.00 -1.75 -0.06 0.00 0.00 0.00 0.00 61.98 60.18 3iwk s VAL 214 Cb -0.17 -2.21 -0.06 0.00 0.00 0.00 0.00 36.38 33.95 3iwk s VAL 214 CO -0.03 -0.34 0.54 0.42 0.00 0.00 0.00 175.10 175.68 3iwk s THR 215 N 1.18 5.02 -5.00 3.92 -4.23 -1.26 -4.25 115.64 111.01 3iwk s THR 215 Ca 0.02 0.13 0.00 0.00 -1.18 0.00 0.00 61.69 60.66 3iwk s THR 215 Cb -0.19 -3.70 0.00 0.00 1.34 0.00 0.00 72.50 69.95 3iwk s THR 215 CO -0.09 -0.24 0.00 0.61 -0.54 0.00 0.00 174.62 174.36 3iwk n GLY 216 N -0.69 -1.77 3.77 3.99 0.00 -1.24 -1.28 105.19 107.97 3iwk n GLY 216 Ca -0.01 -1.37 -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 4.39 0.19 0.99 1.02 -1.26 -4.10 118.68 119.90 3iwk s LEU 217 Ca 0.00 2.81 -0.13 0.00 0.02 0.00 0.00 54.13 56.83 3iwk s LEU 217 Cb 0.00 -3.65 0.21 0.00 0.02 0.00 0.00 46.19 42.76 3iwk s LEU 217 CO 0.00 -0.67 1.70 1.23 0.02 0.00 0.00 176.35 178.63 3iwk h GLY 218 N 3.47 0.60 2.00 -3.19 0.00 -1.96 -0.35 103.07 103.64 3iwk h GLY 218 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 3iwk h GLY 218 CO 0.67 -0.10 0.00 1.12 0.00 0.00 0.00 176.54 178.23 3iwk h HIS 219 N 0.20 0.00 0.00 5.60 2.07 -1.95 -0.14 115.15 120.93 3iwk h HIS 219 Ca 0.26 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.78 3iwk h HIS 219 Cb 0.37 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.35 3iwk h HIS 219 CO -0.26 0.00 0.00 0.39 -3.07 0.00 0.00 177.93 174.99 3iwk n GLU 220 N -2.37 0.00 -0.06 5.12 1.02 -0.84 -4.41 120.64 119.10 3iwk n GLU 220 Ca 0.03 0.03 -0.15 0.00 -0.02 0.00 0.00 57.16 57.06 3iwk n GLU 220 Cb 0.33 -0.28 -0.06 0.00 -0.02 0.00 0.00 31.44 31.41 3iwk n GLU 220 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3iwk h ALA 221 N -2.00 0.32 -0.18 0.62 0.00 -1.18 -2.30 119.26 114.54 3iwk h ALA 221 Ca 0.00 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 3iwk h ALA 221 Cb 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3iwk h ALA 221 CO 0.00 0.45 0.11 0.78 0.00 0.00 0.00 179.25 180.59 3iwk h GLY 222 N 0.33 0.27 1.49 0.00 0.00 -1.29 -1.01 103.07 102.85 3iwk h GLY 222 Ca 0.00 -0.11 -0.09 0.00 0.00 0.00 0.00 47.33 47.13 3iwk h GLY 222 CO 0.10 0.11 -0.18 0.00 0.00 0.00 0.00 176.54 176.56 3iwk h ALA 223 N 1.02 1.07 -0.71 3.60 0.00 -1.12 -1.70 119.26 121.43 3iwk h ALA 223 Ca 0.07 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 3iwk h ALA 223 Cb 0.02 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3iwk h ALA 223 CO -0.01 0.57 0.30 0.77 0.00 0.00 0.00 179.25 180.88 3iwk h SER 224 N 0.54 0.96 0.22 0.00 0.02 -1.21 -2.40 113.55 111.67 3iwk h SER 224 Ca 0.09 -0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 60.87 3iwk h SER 224 Cb 0.62 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.91 3iwk h SER 224 CO 0.04 0.85 -0.11 0.25 -1.14 0.00 0.00 176.83 176.73 3iwk h LEU 225 N 1.00 -0.25 -1.47 5.07 5.85 -0.98 -2.75 115.31 121.78 3iwk h LEU 225 Ca 0.24 -0.20 0.06 0.00 0.84 0.00 0.00 57.88 58.82 3iwk h LEU 225 Cb 0.18 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 3iwk h LEU 225 CO -0.02 0.08 0.42 0.00 -0.34 0.00 0.00 178.44 178.58 3iwk h ALA 226 N 0.09 1.76 -0.01 1.25 0.00 -1.31 -2.48 119.26 118.57 3iwk h ALA 226 Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3iwk h ALA 226 Cb 0.44 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3iwk h ALA 226 CO 0.05 0.14 -0.28 -1.13 0.00 0.00 0.00 179.25 178.03 3iwk n SER 227 N -4.47 1.20 -4.71 0.00 3.41 -0.91 -4.57 113.62 103.57 3iwk n SER 227 Ca 0.09 -1.01 -0.42 0.00 -0.26 0.00 0.00 58.87 57.27 3iwk n SER 227 Cb 0.22 0.18 -0.03 0.00 -0.26 0.00 0.00 64.21 64.32 3iwk n SER 227 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 3iwk s HIS 228 N -2.48 2.70 -0.16 7.33 5.04 -0.94 -4.89 115.29 121.90 3iwk s HIS 228 Ca 0.24 0.38 0.28 0.00 -1.54 0.00 0.00 55.06 54.42 3iwk s HIS 228 Cb 0.19 -4.02 1.26 0.00 0.04 0.00 0.00 32.58 30.06 3iwk s HIS 228 CO 0.52 -3.96 1.85 -1.35 -2.34 0.00 0.00 174.74 169.46 3iwk h PRO 229 N 7.52 0.00 -0.02 2.88 0.11 -1.91 -3.13 132.00 137.45 3iwk h PRO 229 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3iwk h PRO 229 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3iwk h PRO 229 CO 0.93 0.00 -0.33 -0.25 -0.21 0.00 0.00 178.00 178.14 3iwk n ASP 230 N -2.57 2.20 -4.75 -2.05 8.00 -1.26 -4.88 116.55 111.24 3iwk n ASP 230 Ca 0.01 -1.60 -0.40 0.00 0.71 0.00 0.00 54.79 53.50 3iwk n ASP 230 Cb 0.21 0.32 -0.04 0.00 -0.02 0.00 0.00 41.12 41.59 3iwk n ASP 230 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3iwk s VAL 231 N -2.35 3.65 -0.14 2.53 1.01 -1.19 -4.69 120.40 119.23 3iwk s VAL 231 Ca 0.22 1.58 0.19 0.00 0.00 0.00 0.00 61.98 63.96 3iwk s VAL 231 Cb 0.19 -4.01 -0.26 0.00 0.00 0.00 0.00 36.38 32.30 3iwk s VAL 231 CO 0.49 0.34 0.26 0.47 0.00 0.00 0.00 175.10 176.67 3iwk n ASP 232 N 1.61 0.10 -3.72 3.32 8.00 0.97 -4.98 116.55 121.85 3iwk n ASP 232 Ca 0.00 0.04 -0.13 0.00 0.71 0.00 0.00 54.79 55.41 3iwk n ASP 232 Cb 0.45 1.18 -0.10 0.00 -0.02 0.00 0.00 41.12 42.63 3iwk n ASP 232 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3iwk s LYS 233 N -2.81 0.51 -0.22 -1.24 2.20 -1.08 -4.09 119.74 113.02 3iwk s LYS 233 Ca -0.09 0.64 -0.05 0.00 -0.36 0.00 0.00 55.97 56.11 3iwk s LYS 233 Cb 0.08 0.24 -0.02 0.00 -1.51 0.00 0.00 37.83 36.62 3iwk s LYS 233 CO 0.85 -0.07 0.01 0.42 -0.36 0.00 0.00 175.35 176.20 3iwk s ILE 234 N 0.32 3.91 -0.26 5.43 1.01 -0.87 -0.59 121.20 130.15 3iwk s ILE 234 Ca -0.01 -0.32 -0.06 0.00 0.00 0.00 0.00 60.65 60.27 3iwk s ILE 234 Cb -0.03 -2.79 0.00 0.00 0.01 0.00 0.00 42.46 39.64 3iwk s ILE 234 CO -0.00 0.40 0.03 -0.55 0.00 0.00 0.00 174.94 174.82 3iwk s SER 235 N 1.31 4.84 -0.03 3.58 0.15 0.15 -1.20 113.70 122.51 3iwk s SER 235 Ca 0.04 -0.57 0.05 0.00 0.70 0.00 0.00 55.95 56.17 3iwk s SER 235 Cb -0.15 -1.83 -0.01 0.00 -1.71 0.00 0.00 66.02 62.33 3iwk s SER 235 CO 0.01 -0.12 -0.17 0.12 1.20 0.00 0.00 173.24 174.28 3iwk s PHE 236 N 1.49 1.65 -0.09 3.44 5.36 -0.09 -1.85 117.98 127.89 3iwk s PHE 236 Ca 0.04 -0.41 0.01 0.00 -0.96 0.00 0.00 56.93 55.60 3iwk s PHE 236 Cb -0.16 -1.09 0.02 0.00 -0.34 0.00 0.00 43.02 41.44 3iwk s PHE 236 CO 0.01 -0.11 -0.11 0.99 -1.46 0.00 0.00 175.22 174.53 3iwk s THR 237 N -0.12 1.13 -3.85 0.12 2.01 -0.81 -1.13 115.64 112.99 3iwk s THR 237 Ca 0.00 -0.42 0.00 0.00 0.31 0.00 0.00 61.69 61.58 3iwk s THR 237 Cb -0.10 -1.08 0.00 0.00 0.01 0.00 0.00 72.50 71.33 3iwk s THR 237 CO 0.01 0.37 0.00 0.61 -0.69 0.00 0.00 174.62 174.92 3iwk n GLY 238 N 4.31 -0.55 3.81 4.40 0.00 -0.55 -3.67 105.19 112.93 3iwk n GLY 238 Ca -0.19 -0.74 -0.32 0.00 0.00 0.00 0.00 46.02 44.77 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 5.78 0.15 1.61 1.04 -1.26 -3.72 113.70 113.30 3iwk s SER 239 Ca 0.00 1.76 -0.17 0.00 0.48 0.00 0.00 55.95 58.02 3iwk s SER 239 Cb 0.00 -2.52 0.04 0.00 0.10 0.00 0.00 66.02 63.64 3iwk s SER 239 CO 0.00 -1.17 1.73 0.28 0.98 0.00 0.00 173.24 175.07 3iwk h SER 240 N 0.28 0.03 -0.49 7.02 0.02 -1.94 -0.21 113.55 118.26 3iwk h SER 240 Ca -0.46 0.05 -0.05 0.00 -0.84 0.00 0.00 61.79 60.48 3iwk h SER 240 Cb 1.22 0.06 -0.02 0.00 0.14 0.00 0.00 62.40 63.80 3iwk h SER 240 CO 0.58 0.05 0.10 0.00 -1.14 0.00 0.00 176.83 176.41 3iwk h ALA 241 N 1.23 0.65 -0.37 3.77 0.00 -1.99 -0.34 119.26 122.21 3iwk h ALA 241 Ca 0.15 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 3iwk h ALA 241 Cb 0.15 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3iwk h ALA 241 CO -0.19 0.36 0.05 1.15 0.00 0.00 0.00 179.25 180.62 3iwk h THR 242 N 0.67 1.24 -0.68 0.00 2.02 -1.93 -2.03 112.91 112.21 3iwk h THR 242 Ca 0.15 -0.87 0.08 0.00 0.77 0.00 0.00 66.41 66.54 3iwk h THR 242 Cb 0.36 1.09 -0.06 0.00 -1.74 0.00 0.00 68.15 67.81 3iwk h THR 242 CO 0.01 0.29 0.35 1.23 0.37 0.00 0.00 175.52 177.77 3iwk h GLY 243 N 0.45 1.00 0.89 2.16 0.00 -0.77 0.13 103.07 106.93 3iwk h GLY 243 Ca 0.11 -0.23 0.02 0.00 0.00 0.00 0.00 47.33 47.23 3iwk h GLY 243 CO 0.01 0.10 0.35 0.23 0.00 0.00 0.00 176.54 177.23 3iwk h SER 244 N 0.62 0.58 -0.34 0.19 0.87 -0.96 -1.85 113.55 112.65 3iwk h SER 244 Ca 0.32 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.87 3iwk h SER 244 Cb 0.28 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.10 3iwk h SER 244 CO -0.23 0.41 0.18 0.11 -0.53 0.00 0.00 176.83 176.76 3iwk h LYS 245 N 0.70 0.49 -0.93 2.24 1.57 -0.50 -1.68 116.57 118.46 3iwk h LYS 245 Ca 0.23 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.95 3iwk h LYS 245 Cb 0.01 -0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.18 3iwk h LYS 245 CO -0.09 0.43 0.61 0.82 -0.57 0.00 0.00 179.45 180.65 3iwk h ILE 246 N 0.42 1.24 -0.28 1.86 2.04 -0.85 -0.90 117.51 121.04 3iwk h ILE 246 Ca 0.12 -0.45 -0.12 0.00 1.00 0.00 0.00 64.86 65.41 3iwk h ILE 246 Cb 0.09 -0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.04 3iwk h ILE 246 CO -0.02 0.24 -0.31 -0.03 0.00 0.00 0.00 178.15 178.03 3iwk h MET 247 N 1.27 0.59 -0.62 2.37 4.05 -1.19 -0.12 114.93 121.29 3iwk h MET 247 Ca 0.34 -0.26 -0.02 0.00 -0.28 0.00 0.00 59.70 59.48 3iwk h MET 247 Cb -0.13 -0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 30.62 3iwk h MET 247 CO -0.07 0.83 0.32 1.15 0.23 0.00 0.00 176.91 179.37 3iwk h THR 248 N 0.51 1.21 -0.05 -0.77 2.02 -0.72 -0.45 112.91 114.66 3iwk h THR 248 Ca 0.06 -0.55 -0.01 0.00 0.77 0.00 0.00 66.41 66.68 3iwk h THR 248 Cb 0.79 0.44 -0.00 0.00 -1.74 0.00 0.00 68.15 67.64 3iwk h THR 248 CO 0.06 0.23 -0.00 0.74 0.37 0.00 0.00 175.52 176.92 3iwk h THR 249 N 0.84 1.25 -0.91 3.16 2.02 -0.99 -3.08 112.91 115.21 3iwk h THR 249 Ca 0.21 -0.78 0.09 0.00 0.77 0.00 0.00 66.41 66.71 3iwk h THR 249 Cb 0.08 1.68 -0.07 0.00 -1.74 0.00 0.00 68.15 68.11 3iwk h THR 249 CO -0.03 0.21 0.58 0.00 0.37 0.00 0.00 175.52 176.65 3iwk h ALA 250 N 0.71 1.60 -0.32 6.16 0.00 -0.90 -0.97 119.26 125.54 3iwk h ALA 250 Ca 0.01 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.01 3iwk h ALA 250 Cb 0.34 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3iwk h ALA 250 CO 0.00 0.22 0.24 0.00 0.00 0.00 0.00 179.25 179.72 3iwk h ALA 251 N 1.54 2.25 -0.97 0.00 0.00 -0.98 -0.78 119.26 120.32 3iwk h ALA 251 Ca 0.42 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.38 3iwk h ALA 251 Cb 0.38 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.12 3iwk h ALA 251 CO -0.18 -0.41 0.63 1.96 0.00 0.00 0.00 179.25 181.25 3iwk h GLN 252 N 0.00 1.08 -0.04 0.00 1.08 -1.20 -2.50 115.11 113.53 3iwk h GLN 252 Ca 0.15 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.27 3iwk h GLN 252 Cb 0.64 -0.24 -0.01 0.00 -0.05 0.00 0.00 27.48 27.82 3iwk h GLN 252 CO -0.00 0.71 -0.22 1.28 -0.95 0.00 0.00 178.83 179.65 3iwk n LEU 253 N -4.50 2.74 -4.28 1.46 4.77 -0.98 -5.00 117.00 111.22 3iwk n LEU 253 Ca 0.15 -3.49 -0.33 0.00 -0.03 0.00 0.00 56.01 52.31 3iwk n LEU 253 Cb 0.20 -0.50 -0.07 0.00 -2.33 0.00 0.00 43.42 40.72 3iwk n LEU 253 CO 0.32 1.05 -0.32 1.33 -1.33 0.00 0.00 177.39 178.45 3iwk n VAL 254 N -1.22 -1.25 -2.97 4.08 0.24 -0.61 -4.94 118.33 111.66 3iwk n VAL 254 Ca 0.19 -0.35 -0.40 0.00 -2.04 0.00 0.00 64.34 61.74 3iwk n VAL 254 Cb 0.71 -1.33 -0.05 0.00 -1.47 0.00 0.00 33.84 31.70 3iwk n VAL 254 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 3iwk s LYS 255 N -7.14 4.50 0.58 7.34 1.02 -0.40 -4.98 119.74 120.66 3iwk s LYS 255 Ca 0.24 1.08 -0.20 0.00 0.02 0.00 0.00 55.97 57.11 3iwk s LYS 255 Cb -0.14 -3.38 -0.04 0.00 -0.52 0.00 0.00 37.83 33.76 3iwk s LYS 255 CO 0.97 0.25 1.25 -1.25 -0.92 0.00 0.00 175.35 175.65 3iwk s PRO 256 N 0.07 3.00 0.03 -1.68 0.04 -1.26 -4.63 135.00 130.57 3iwk s PRO 256 Ca 0.39 1.96 0.00 0.00 0.04 0.00 0.00 61.00 63.39 3iwk s PRO 256 Cb -0.20 -2.03 -0.02 0.00 0.04 0.00 0.00 34.50 32.29 3iwk s PRO 256 CO 0.23 -1.21 -0.04 0.54 0.04 0.00 0.00 177.00 176.56 3iwk s VAL 257 N -1.49 0.21 -0.01 -0.36 0.11 -1.26 -2.05 120.40 115.55 3iwk s VAL 257 Ca 0.76 -1.00 0.05 0.00 -2.93 0.00 0.00 61.98 58.86 3iwk s VAL 257 Cb -0.34 -0.41 -0.01 0.00 -1.53 0.00 0.00 36.38 34.09 3iwk s VAL 257 CO 0.38 -0.51 -0.16 -0.94 -3.33 0.00 0.00 175.10 170.54 3iwk s SER 258 N -1.58 1.82 -0.07 3.54 1.04 -0.34 -4.93 113.70 113.18 3iwk s SER 258 Ca -0.13 -0.29 -0.00 0.00 0.48 0.00 0.00 55.95 56.00 3iwk s SER 258 Cb -0.09 -0.20 0.03 0.00 0.10 0.00 0.00 66.02 65.86 3iwk s SER 258 CO -0.01 0.18 -0.03 -0.76 0.98 0.00 0.00 173.24 173.60 3iwk s LEU 259 N -0.43 0.93 -0.36 2.42 1.43 -0.75 -0.91 118.68 121.01 3iwk s LEU 259 Ca 0.06 -0.14 -0.06 0.00 -1.03 0.00 0.00 54.13 52.95 3iwk s LEU 259 Cb -0.06 -0.53 0.06 0.00 0.03 0.00 0.00 46.19 45.69 3iwk s LEU 259 CO -0.00 -0.14 0.14 -0.70 0.23 0.00 0.00 176.35 175.88 3iwk s GLU 260 N 1.60 2.53 0.00 1.70 2.12 -0.28 -1.84 118.70 124.53 3iwk s GLU 260 Ca 0.00 -1.33 0.00 0.00 0.36 0.00 0.00 54.97 54.01 3iwk s GLU 260 Cb -0.13 -3.52 0.00 0.00 0.26 0.00 0.00 34.13 30.74 3iwk s GLU 260 CO -0.04 -0.77 0.00 1.28 -0.54 0.00 0.00 175.26 175.18 3iwk n LEU 261 N 4.79 0.00 0.00 2.70 4.77 0.38 -1.49 117.00 128.16 3iwk n LEU 261 Ca -0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 3iwk n LEU 261 Cb 0.44 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 3iwk n LEU 261 CO 0.33 -0.31 0.00 0.61 -1.33 0.00 0.00 177.39 176.69 3iwk n GLY 262 N 5.00 -0.50 3.80 -0.72 0.00 -1.24 -4.86 105.19 106.66 3iwk n GLY 262 Ca 0.00 -1.40 0.03 0.00 0.00 0.00 0.00 46.02 44.65 3iwk n GLY 262 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3iwk s GLY 263 N -0.25 -0.29 -0.44 -0.02 0.00 -1.18 -4.51 107.32 100.63 3iwk s GLY 263 Ca 0.00 0.41 0.07 0.00 0.00 0.00 0.00 44.72 45.20 3iwk s GLY 263 CO 0.00 2.94 0.52 1.17 0.00 0.00 0.00 173.10 177.73 3iwk n LYS 264 N -0.70 0.92 -2.44 2.90 3.00 -1.26 -4.56 118.16 116.02 3iwk n LYS 264 Ca -0.03 -3.46 -0.41 0.00 -0.00 0.00 0.00 58.31 54.41 3iwk n LYS 264 Cb 0.61 -1.47 -0.03 0.00 0.00 0.00 0.00 35.03 34.14 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 -1.17 7.14 0.14 3.14 0.01 -1.15 -4.80 113.70 117.01 3iwk s SER 265 Ca 0.35 2.12 -0.10 0.00 1.31 0.00 0.00 55.95 59.62 3iwk s SER 265 Cb 0.14 -2.60 -0.06 0.00 0.21 0.00 0.00 66.02 63.71 3iwk s SER 265 CO -0.11 -0.36 0.47 -2.16 0.41 0.00 0.00 173.24 171.49 3iwk s PRO 266 N 0.14 3.81 -0.19 12.44 0.04 -1.26 -1.55 135.00 148.43 3iwk s PRO 266 Ca 0.54 0.25 0.01 0.00 0.04 0.00 0.00 61.00 61.84 3iwk s PRO 266 Cb -0.31 -2.88 0.03 0.00 0.04 0.00 0.00 34.50 31.38 3iwk s PRO 266 CO 0.34 0.47 -0.18 -1.50 0.04 0.00 0.00 177.00 176.16 3iwk s ILE 267 N -1.54 2.07 -0.25 0.56 2.07 0.55 -1.29 121.20 123.36 3iwk s ILE 267 Ca 0.39 -1.05 -0.10 0.00 -1.41 0.00 0.00 60.65 58.47 3iwk s ILE 267 Cb -0.13 -1.92 -0.05 0.00 0.13 0.00 0.00 42.46 40.49 3iwk s ILE 267 CO 0.20 0.44 0.16 -0.69 -1.91 0.00 0.00 174.94 173.14 3iwk s VAL 268 N 1.26 5.19 -0.22 4.00 1.01 0.38 -0.35 120.40 131.68 3iwk s VAL 268 Ca 0.03 0.12 0.01 0.00 0.00 0.00 0.00 61.98 62.14 3iwk s VAL 268 Cb -0.14 -3.44 0.03 0.00 0.00 0.00 0.00 36.38 32.83 3iwk s VAL 268 CO -0.12 0.31 -0.15 -0.69 0.00 0.00 0.00 175.10 174.46 3iwk s VAL 269 N 1.35 2.26 0.71 2.92 1.01 0.26 -0.05 120.40 128.86 3iwk s VAL 269 Ca 0.07 -1.16 -0.04 0.00 0.00 0.00 0.00 61.98 60.84 3iwk s VAL 269 Cb -0.15 -2.10 0.09 0.00 0.00 0.00 0.00 36.38 34.22 3iwk s VAL 269 CO 0.07 0.30 1.00 -0.36 0.00 0.00 0.00 175.10 176.11 3iwk s PHE 270 N 1.24 2.32 0.31 5.22 0.08 -0.67 -1.54 117.98 124.93 3iwk s PHE 270 Ca -0.00 0.11 0.03 0.00 0.12 0.00 0.00 56.93 57.19 3iwk s PHE 270 Cb -0.16 -3.16 0.50 0.00 -0.57 0.00 0.00 43.02 39.63 3iwk s PHE 270 CO -0.09 -1.56 1.80 1.05 -0.10 0.00 0.00 175.22 176.32 3iwk h GLU 271 N -0.58 0.52 -3.33 0.44 9.09 -1.91 -3.37 114.58 115.45 3iwk h GLU 271 Ca -0.41 -0.15 -0.73 0.00 0.05 0.00 0.00 59.36 58.12 3iwk h GLU 271 Cb 1.29 -0.06 -0.10 0.00 -1.65 0.00 0.00 28.75 28.23 3iwk h GLU 271 CO 0.49 0.63 2.58 -0.40 0.05 0.00 0.00 179.01 182.37 3iwk n ASP 272 N -4.21 6.00 -4.21 3.06 5.75 -1.26 -4.91 116.55 116.77 3iwk n ASP 272 Ca 0.01 -2.99 -0.12 0.00 -0.01 0.00 0.00 54.79 51.67 3iwk n ASP 272 Cb 0.32 -1.50 -0.10 0.00 -1.03 0.00 0.00 41.12 38.81 3iwk n ASP 272 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 3iwk s VAL 273 N 0.83 0.66 -0.54 2.12 -7.23 -1.26 -1.27 120.40 113.71 3iwk s VAL 273 Ca 0.48 -1.96 -0.28 0.00 -1.81 0.00 0.00 61.98 58.40 3iwk s VAL 273 Cb 0.14 -1.98 0.03 0.00 0.56 0.00 0.00 36.38 35.12 3iwk s VAL 273 CO -0.05 -0.60 1.22 -0.62 -0.31 0.00 0.00 175.10 174.75 3iwk s ASP 274 N -3.13 6.46 0.33 4.85 -1.08 -1.26 -4.91 116.67 117.94 3iwk s ASP 274 Ca 0.20 0.29 0.03 0.00 -0.52 0.00 0.00 52.55 52.55 3iwk s ASP 274 Cb 0.06 -2.55 0.64 0.00 -1.46 0.00 0.00 42.92 39.61 3iwk s ASP 274 CO 0.01 -1.44 1.93 -0.07 0.52 0.00 0.00 175.17 176.13 3iwk h LEU 275 N 11.87 0.78 -0.21 -1.34 4.07 -1.98 -0.89 115.31 127.60 3iwk h LEU 275 Ca -0.25 0.01 -0.22 0.00 0.08 0.00 0.00 57.88 57.50 3iwk h LEU 275 Cb 1.06 -0.16 0.01 0.00 1.08 0.00 0.00 40.66 42.65 3iwk h LEU 275 CO 1.16 0.50 -0.83 0.44 -1.08 0.00 0.00 178.44 178.63 3iwk h ASP 276 N 0.89 0.73 -0.16 -0.43 3.32 -1.99 -1.88 116.42 116.91 3iwk h ASP 276 Ca 0.35 -0.51 -0.14 0.00 0.02 0.00 0.00 57.03 56.74 3iwk h ASP 276 Cb 0.24 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.57 3iwk h ASP 276 CO -0.13 1.30 -0.46 0.11 -1.72 0.00 0.00 179.24 178.34 3iwk h LYS 277 N 0.39 0.59 -0.21 3.56 1.57 -1.87 -3.10 116.57 117.50 3iwk h LYS 277 Ca -0.06 -0.43 -0.10 0.00 -1.87 0.00 0.00 60.65 58.20 3iwk h LYS 277 Cb 1.45 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.82 3iwk h LYS 277 CO 0.16 1.05 -0.28 0.28 -0.57 0.00 0.00 179.45 180.08 3iwk h VAL 278 N 0.25 1.27 -0.85 0.50 2.07 -1.23 -2.87 116.25 115.38 3iwk h VAL 278 Ca -0.01 -1.29 -0.02 0.00 0.82 0.00 0.00 66.70 66.20 3iwk h VAL 278 Cb 1.08 1.42 -0.04 0.00 -1.52 0.00 0.00 31.29 32.23 3iwk h VAL 278 CO 0.10 0.40 0.45 0.00 0.02 0.00 0.00 177.57 178.54 3iwk h ALA 279 N 1.35 1.20 -0.50 1.67 0.00 -1.36 -0.64 119.26 120.97 3iwk h ALA 279 Ca 0.05 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 3iwk h ALA 279 Cb 0.68 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3iwk h ALA 279 CO 0.05 0.64 0.14 1.49 0.00 0.00 0.00 179.25 181.57 3iwk h GLU 280 N 1.19 0.79 -0.53 0.00 4.81 -1.43 -1.97 114.58 117.43 3iwk h GLU 280 Ca 0.30 -0.18 0.01 0.00 -0.13 0.00 0.00 59.36 59.35 3iwk h GLU 280 Cb 0.05 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.29 3iwk h GLU 280 CO -0.05 0.75 0.35 -1.49 -0.73 0.00 0.00 179.01 177.85 3iwk h TRP 281 N 0.68 0.67 -0.04 0.92 4.06 -1.26 -1.08 115.95 119.90 3iwk h TRP 281 Ca 0.16 0.02 -0.15 0.00 2.06 0.00 0.00 58.89 60.98 3iwk h TRP 281 Cb 0.30 -0.23 -0.01 0.00 -1.00 0.00 0.00 29.16 28.22 3iwk h TRP 281 CO 0.02 0.42 -0.64 1.79 -3.56 0.00 0.00 178.44 176.47 3iwk h THR 282 N 0.72 1.41 -0.18 1.49 1.35 -1.00 0.42 112.91 117.13 3iwk h THR 282 Ca 0.19 -2.09 -0.14 0.00 -0.55 0.00 0.00 66.41 63.83 3iwk h THR 282 Cb -0.08 2.09 -0.01 0.00 -1.73 0.00 0.00 68.15 68.41 3iwk h THR 282 CO -0.04 0.61 -0.47 -0.37 -0.25 0.00 0.00 175.52 175.00 3iwk h VAL 283 N 0.12 1.32 -0.45 6.82 -1.51 -1.28 -2.83 116.25 118.45 3iwk h VAL 283 Ca -0.01 -1.67 -0.02 0.00 -1.23 0.00 0.00 66.70 63.77 3iwk h VAL 283 Cb 1.15 1.69 -0.02 0.00 -2.13 0.00 0.00 31.29 31.98 3iwk h VAL 283 CO 0.09 0.51 0.19 0.15 -1.23 0.00 0.00 177.57 177.29 3iwk h PHE 284 N 0.37 0.68 0.00 5.19 3.04 -0.83 0.14 116.94 125.53 3iwk h PHE 284 Ca 0.02 -0.05 -0.00 0.00 3.98 0.00 0.00 57.97 61.92 3iwk h PHE 284 Cb 0.96 -0.20 -0.00 0.00 2.56 0.00 0.00 35.95 39.27 3iwk h PHE 284 CO 0.03 0.57 -0.01 0.78 -2.02 0.00 0.00 178.31 177.67 3iwk h GLY 285 N 0.59 0.00 0.00 2.40 0.00 -0.01 -2.84 103.07 103.20 3iwk h GLY 285 Ca 0.15 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.34 3iwk h GLY 285 CO -0.01 0.00 -1.59 0.00 0.00 0.00 0.00 176.54 174.94 3iwk n PHE 287 N -2.26 0.00 -1.59 0.00 0.99 0.48 -4.07 117.46 111.00 3iwk n PHE 287 Ca -0.13 0.00 -0.40 0.00 -0.00 0.00 0.00 57.45 56.93 3iwk n PHE 287 Cb 0.72 -0.35 0.03 0.00 -1.00 0.00 0.00 39.48 38.87 3iwk n PHE 287 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 3iwk n PHE 288 N -2.03 0.78 -3.25 1.38 -0.00 -1.07 -1.17 117.46 112.10 3iwk n PHE 288 Ca -0.03 0.50 -0.23 0.00 -0.00 0.00 0.00 57.45 57.68 3iwk n PHE 288 Cb 0.40 -2.16 0.03 0.00 -0.00 0.00 0.00 39.48 37.75 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 -1.09 -1.85 -2.01 -2.13 -1.04 -1.26 -1.09 114.28 103.80 3iwk n THR 289 Ca 0.11 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.93 3iwk n THR 289 Cb 0.43 -3.05 -0.04 0.00 -1.82 0.00 0.00 70.33 65.85 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 -2.55 -5.24 0.00 8.00 3.02 -0.77 -1.44 115.26 116.28 3iwk n ASN 290 Ca -0.06 0.23 0.00 0.00 -0.03 0.00 0.00 54.58 54.72 3iwk n ASN 290 Cb 0.59 -4.51 0.00 0.00 -0.61 0.00 0.00 39.78 35.25 3iwk n ASN 290 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3iwk n GLY 291 N -0.68 0.75 2.73 7.41 0.00 -0.25 -3.02 105.19 112.13 3iwk n GLY 291 Ca -0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 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 -2.41 4.94 -4.88 1.61 6.02 -0.52 -3.16 117.38 118.98 3iwk n GLN 292 Ca 0.00 -4.38 -0.33 0.00 -0.01 0.00 0.00 57.00 52.29 3iwk n GLN 292 Cb 0.00 -2.54 -0.15 0.00 1.02 0.00 0.00 30.24 28.57 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 -3.12 2.73 0.34 5.09 1.01 -1.26 -4.83 121.20 121.15 3iwk s ILE 293 Ca 0.39 -0.78 0.02 0.00 0.00 0.00 0.00 60.65 60.29 3iwk s ILE 293 Cb 0.15 -2.12 0.27 0.00 0.01 0.00 0.00 42.46 40.77 3iwk s ILE 293 CO -0.05 0.53 1.98 0.00 0.00 0.00 0.00 174.94 177.40 3iwk n SER 295 N -4.45 4.58 -4.65 0.00 3.41 -1.26 -3.10 113.62 108.16 3iwk n SER 295 Ca 0.09 -2.61 -0.47 0.00 -0.26 0.00 0.00 58.87 55.62 3iwk n SER 295 Cb 0.12 -0.60 -0.04 0.00 -0.26 0.00 0.00 64.21 63.42 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 0.68 0.69 -2.83 7.33 0.00 -0.85 -4.63 120.51 120.90 3iwk n ALA 296 Ca 0.22 0.46 -0.43 0.00 0.00 0.00 0.00 53.44 53.69 3iwk n ALA 296 Cb 0.93 -2.26 -0.01 0.00 0.00 0.00 0.00 19.45 18.11 3iwk n ALA 296 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3iwk s THR 297 N 0.57 4.63 -1.62 0.00 -4.23 -0.64 -2.96 115.64 111.41 3iwk s THR 297 Ca 0.78 -1.91 0.24 0.00 -1.18 0.00 0.00 61.69 59.62 3iwk s THR 297 Cb -0.74 -4.93 0.02 0.00 1.34 0.00 0.00 72.50 68.18 3iwk s THR 297 CO 0.43 -1.69 1.21 -1.54 -0.54 0.00 0.00 174.62 172.49 3iwk n SER 298 N 6.83 1.37 -4.20 3.99 3.41 -0.60 -4.17 113.62 120.26 3iwk n SER 298 Ca 0.34 -1.10 -0.36 0.00 -0.26 0.00 0.00 58.87 57.49 3iwk n SER 298 Cb 0.47 0.48 -0.13 0.00 -0.26 0.00 0.00 64.21 64.76 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 -2.66 2.47 -0.13 4.33 0.52 -1.04 -0.93 118.95 121.52 3iwk s ARG 299 Ca 0.17 -1.25 -0.21 0.00 -0.52 0.00 0.00 55.73 53.92 3iwk s ARG 299 Cb 0.18 -3.25 -0.03 0.00 0.52 0.00 0.00 34.95 32.37 3iwk s ARG 299 CO 0.64 -0.63 0.60 -1.17 0.02 0.00 0.00 175.30 174.75 3iwk s LEU 300 N 1.29 4.25 -0.39 2.53 0.20 0.37 -0.33 118.68 126.59 3iwk s LEU 300 Ca -0.04 0.94 0.03 0.00 0.69 0.00 0.00 54.13 55.75 3iwk s LEU 300 Cb -0.20 -2.88 0.11 0.00 -0.43 0.00 0.00 46.19 42.79 3iwk s LEU 300 CO -0.00 -0.13 0.13 -0.63 -0.29 0.00 0.00 176.35 175.43 3iwk s ILE 301 N 1.10 2.09 0.01 6.68 1.01 0.52 -0.89 121.20 131.72 3iwk s ILE 301 Ca 0.31 -2.51 0.00 0.00 0.00 0.00 0.00 60.65 58.45 3iwk s ILE 301 Cb -0.16 -2.52 -0.04 0.00 0.01 0.00 0.00 42.46 39.76 3iwk s ILE 301 CO 0.13 -0.69 0.07 -0.69 0.00 0.00 0.00 174.94 173.75 3iwk s VAL 302 N 0.62 4.62 0.24 2.92 1.01 -0.66 -0.58 120.40 128.57 3iwk s VAL 302 Ca 0.13 -0.49 -0.30 0.00 0.00 0.00 0.00 61.98 61.33 3iwk s VAL 302 Cb -0.21 -3.12 -0.10 0.00 0.00 0.00 0.00 36.38 32.95 3iwk s VAL 302 CO -0.07 0.32 1.39 -2.28 0.00 0.00 0.00 175.10 174.46 3iwk s HIS 303 N -1.20 3.10 0.49 5.22 2.46 -0.59 -1.11 115.29 123.65 3iwk s HIS 303 Ca 0.23 1.12 0.17 0.00 0.47 0.00 0.00 55.06 57.05 3iwk s HIS 303 Cb -0.12 -3.74 1.20 0.00 -0.13 0.00 0.00 32.58 29.79 3iwk s HIS 303 CO 0.14 -2.34 2.08 1.05 -2.47 0.00 0.00 174.74 173.20 3iwk h GLU 304 N 4.98 0.00 0.00 2.88 4.11 -1.01 -1.87 114.58 123.68 3iwk h GLU 304 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.97 3iwk h GLU 304 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 3iwk h GLU 304 CO 0.76 0.09 0.00 0.66 0.07 0.00 0.00 179.01 180.59 3iwk h SER 305 N 0.00 0.00 -0.00 3.06 4.64 -1.91 -2.91 113.55 116.43 3iwk h SER 305 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3iwk h SER 305 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 3iwk h SER 305 CO 0.01 0.00 -0.01 2.30 -0.87 0.00 0.00 176.83 178.26 3iwk n ILE 306 N -2.84 0.00 -0.18 0.95 -5.35 -0.91 -4.86 119.36 106.17 3iwk n ILE 306 Ca 0.00 -0.50 -0.02 0.00 -0.27 0.00 0.00 62.75 61.96 3iwk n ILE 306 Cb 0.25 1.02 0.04 0.00 -1.74 0.00 0.00 39.64 39.21 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 0.20 0.30 -0.07 -1.28 0.00 -1.15 -1.15 119.26 116.11 3iwk h ALA 307 Ca 0.00 0.21 -0.18 0.00 0.00 0.00 0.00 54.91 54.94 3iwk h ALA 307 Cb 0.04 0.48 0.01 0.00 0.00 0.00 0.00 17.79 18.32 3iwk h ALA 307 CO 0.00 -0.47 -0.66 -0.39 0.00 0.00 0.00 179.25 177.72 3iwk h VAL 308 N -0.04 1.35 0.00 0.00 -1.51 -1.89 -0.77 116.25 113.39 3iwk h VAL 308 Ca 0.26 -1.98 -0.12 0.00 -1.23 0.00 0.00 66.70 63.63 3iwk h VAL 308 Cb 0.44 2.29 -0.02 0.00 -2.13 0.00 0.00 31.29 31.88 3iwk h VAL 308 CO -0.59 0.60 -0.58 1.05 -1.23 0.00 0.00 177.57 176.82 3iwk h GLU 309 N 0.18 0.00 0.17 5.19 4.11 -1.92 -1.17 114.58 121.15 3iwk h GLU 309 Ca -0.06 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.36 3iwk h GLU 309 Cb 1.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.58 3iwk h GLU 309 CO 0.13 0.58 -0.08 0.35 0.07 0.00 0.00 179.01 180.06 3iwk h PHE 310 N 0.00 -0.22 -0.64 2.06 3.57 -1.20 -2.55 116.94 117.97 3iwk h PHE 310 Ca -0.01 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.49 3iwk h PHE 310 Cb 1.10 0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.88 3iwk h PHE 310 CO 0.00 0.09 0.42 0.28 -2.23 0.00 0.00 178.31 176.87 3iwk h VAL 311 N -0.53 1.17 -0.11 1.41 2.07 -1.10 0.50 116.25 119.66 3iwk h VAL 311 Ca -0.02 -0.31 0.01 0.00 0.82 0.00 0.00 66.70 67.19 3iwk h VAL 311 Cb 0.40 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 3iwk h VAL 311 CO 0.04 0.16 0.04 -0.78 0.02 0.00 0.00 177.57 177.06 3iwk h ASP 312 N 0.87 0.06 -0.91 0.57 3.58 -1.21 0.15 116.42 119.53 3iwk h ASP 312 Ca 0.23 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.68 3iwk h ASP 312 Cb -0.09 -0.00 -0.04 0.00 1.72 0.00 0.00 39.33 40.91 3iwk h ASP 312 CO -0.05 0.05 0.53 0.11 -2.88 0.00 0.00 179.24 177.00 3iwk h LYS 313 N 0.10 1.26 -0.97 0.28 1.57 -1.01 -2.25 116.57 115.55 3iwk h LYS 313 Ca 0.04 -0.13 0.01 0.00 -1.87 0.00 0.00 60.65 58.71 3iwk h LYS 313 Cb 0.02 -0.26 -0.05 0.00 0.08 0.00 0.00 32.23 32.02 3iwk h LYS 313 CO -0.04 0.89 0.64 1.25 -0.57 0.00 0.00 179.45 181.62 3iwk h LEU 314 N 1.27 1.10 -0.35 2.94 5.85 -0.27 -0.21 115.31 125.63 3iwk h LEU 314 Ca 0.33 -0.03 -0.05 0.00 0.84 0.00 0.00 57.88 58.97 3iwk h LEU 314 Cb -0.02 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.72 3iwk h LEU 314 CO -0.06 0.79 0.03 0.58 -0.34 0.00 0.00 178.44 179.44 3iwk h VAL 315 N 1.29 1.25 -0.61 1.05 2.07 -0.42 -1.93 116.25 118.95 3iwk h VAL 315 Ca 0.36 -0.90 -0.06 0.00 0.82 0.00 0.00 66.70 66.93 3iwk h VAL 315 Cb -0.12 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 3iwk h VAL 315 CO -0.08 0.30 0.15 0.11 0.02 0.00 0.00 177.57 178.07 3iwk h LYS 316 N 0.43 0.97 -0.54 1.57 1.57 -0.86 0.27 116.57 119.99 3iwk h LYS 316 Ca 0.10 -0.23 -0.03 0.00 -1.87 0.00 0.00 60.65 58.63 3iwk h LYS 316 Cb 0.40 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.55 3iwk h LYS 316 CO 0.01 0.89 0.23 -1.49 -0.57 0.00 0.00 179.45 178.51 3iwk h TRP 317 N 0.89 0.80 -0.60 -1.35 4.06 -1.05 -2.38 115.95 116.32 3iwk h TRP 317 Ca 0.19 -0.05 -0.05 0.00 2.06 0.00 0.00 58.89 61.03 3iwk h TRP 317 Cb 0.35 -0.24 -0.03 0.00 -1.00 0.00 0.00 29.16 28.24 3iwk h TRP 317 CO 0.02 0.65 0.17 0.00 -3.56 0.00 0.00 178.44 175.72 3iwk h ALA 318 N 1.07 0.79 0.00 1.49 0.00 -0.99 -2.70 119.26 118.92 3iwk h ALA 318 Ca 0.18 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3iwk h ALA 318 Cb 0.18 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3iwk h ALA 318 CO -0.02 0.48 0.00 0.39 0.00 0.00 0.00 179.25 180.10 3iwk n GLU 319 N -4.37 0.24 -0.03 0.00 1.02 0.05 -2.82 120.64 114.73 3iwk n GLU 319 Ca 0.03 0.33 0.13 0.00 -0.02 0.00 0.00 57.16 57.63 3iwk n GLU 319 Cb 0.23 -1.86 0.37 0.00 -0.02 0.00 0.00 31.44 30.16 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 -2.29 2.06 -4.66 1.62 5.15 -0.90 -4.89 115.26 111.35 3iwk n ASN 320 Ca 0.04 -1.70 -0.43 0.00 -0.60 0.00 0.00 54.58 51.88 3iwk n ASN 320 Cb 0.33 -0.05 -0.02 0.00 -0.53 0.00 0.00 39.78 39.52 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 -1.91 4.47 -0.05 -1.44 1.01 -1.13 -4.98 121.20 117.17 3iwk s ILE 321 Ca 0.35 1.76 -0.30 0.00 0.00 0.00 0.00 60.65 62.46 3iwk s ILE 321 Cb 0.20 -4.19 -0.06 0.00 0.01 0.00 0.00 42.46 38.43 3iwk s ILE 321 CO 0.31 -0.21 1.66 -0.75 0.00 0.00 0.00 174.94 175.95 3iwk s LYS 322 N 3.43 4.18 -0.16 2.79 2.20 -1.26 -4.89 119.74 126.02 3iwk s LYS 322 Ca 0.49 2.19 -0.03 0.00 -0.36 0.00 0.00 55.97 58.26 3iwk s LYS 322 Cb -0.18 -3.99 -0.02 0.00 -1.51 0.00 0.00 37.83 32.13 3iwk s LYS 322 CO 0.11 -0.85 -0.05 -1.50 -0.36 0.00 0.00 175.35 172.71 3iwk s ILE 323 N 4.04 3.73 0.18 5.43 2.07 -1.26 -1.18 121.20 134.20 3iwk s ILE 323 Ca 0.73 -0.41 -0.11 0.00 -1.41 0.00 0.00 60.65 59.45 3iwk s ILE 323 Cb -0.33 -2.64 0.04 0.00 0.13 0.00 0.00 42.46 39.66 3iwk s ILE 323 CO 0.30 0.48 0.57 -1.54 -1.91 0.00 0.00 174.94 172.84 3iwk n SER 324 N 3.74 -1.25 -4.68 4.50 3.41 -1.03 -5.00 113.62 113.31 3iwk n SER 324 Ca -0.17 -1.77 -0.43 0.00 -0.26 0.00 0.00 58.87 56.23 3iwk n SER 324 Cb 0.52 2.06 -0.02 0.00 -0.26 0.00 0.00 64.21 66.52 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 -1.17 2.72 0.26 4.04 2.03 -1.26 -4.41 116.55 118.76 3iwk n ASP 325 Ca -0.03 1.18 0.10 0.00 0.52 0.00 0.00 54.79 56.55 3iwk n ASP 325 Cb 0.37 -1.46 0.69 0.00 -0.72 0.00 0.00 41.12 40.00 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 3.26 0.00 0.00 -0.67 0.11 -1.89 -1.91 132.00 130.90 3iwk h PRO 326 Ca -0.45 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.63 3iwk h PRO 326 Cb 1.28 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.39 3iwk h PRO 326 CO 0.68 0.00 -0.12 -0.07 -0.21 0.00 0.00 178.00 178.28 3iwk h LEU 327 N 0.00 0.00-10.03 2.35 3.38 -1.90 -2.11 115.31 107.00 3iwk h LEU 327 Ca 0.01 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.44 3iwk h LEU 327 Cb 0.03 0.00 0.11 0.00 0.09 0.00 0.00 40.66 40.90 3iwk h LEU 327 CO -0.00 0.12 0.58 -0.70 0.09 0.00 0.00 178.44 178.53 3iwk s GLU 328 N -3.23 3.37 0.23 1.13 2.12 -0.72 -4.91 118.70 116.69 3iwk s GLU 328 Ca 0.05 2.11 -0.31 0.00 0.36 0.00 0.00 54.97 57.18 3iwk s GLU 328 Cb 0.06 -2.34 -0.12 0.00 0.26 0.00 0.00 34.13 32.00 3iwk s GLU 328 CO 0.67 -0.97 1.67 -2.00 -0.54 0.00 0.00 175.26 174.09 3iwk s GLU 329 N -2.80 4.13 -0.29 4.30 2.12 -1.26 -2.69 118.70 122.22 3iwk s GLU 329 Ca 0.68 2.57 0.00 0.00 0.36 0.00 0.00 54.97 58.58 3iwk s GLU 329 Cb -0.37 -3.07 0.00 0.00 0.26 0.00 0.00 34.13 30.95 3iwk s GLU 329 CO 0.45 -0.70 0.00 0.41 -0.54 0.00 0.00 175.26 174.88 3iwk n GLY 330 N 3.43 0.59 3.69 -1.50 0.00 -1.26 -4.99 105.19 105.15 3iwk n GLY 330 Ca 0.13 -0.54 -0.42 0.00 0.00 0.00 0.00 46.02 45.19 3iwk n GLY 330 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iwk n ARG 332 N 5.49 0.32 -3.66 0.00 5.12 -0.33 -4.73 116.66 118.87 3iwk n ARG 332 Ca 0.15 -0.60 -0.05 0.00 -1.93 0.00 0.00 57.85 55.42 3iwk n ARG 332 Cb 0.42 -1.00 -0.07 0.00 -1.16 0.00 0.00 32.46 30.65 3iwk n ARG 332 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 3iwk s LEU 333 N -0.51 -0.84 0.00 0.55 2.96 -0.63 -4.88 118.68 115.32 3iwk s LEU 333 Ca 0.03 1.28 0.02 0.00 -0.22 0.00 0.00 54.13 55.25 3iwk s LEU 333 Cb 0.03 1.86 0.02 0.00 0.50 0.00 0.00 46.19 48.59 3iwk s LEU 333 CO 0.05 -0.22 0.15 0.61 -1.32 0.00 0.00 176.35 175.62 3iwk n GLY 334 N 5.22 1.95 3.89 7.98 0.00 -1.26 -2.47 105.19 120.50 3iwk n GLY 334 Ca -0.12 -2.15 -0.30 0.00 0.00 0.00 0.00 46.02 43.45 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 -2.50 3.03 0.56 1.61 0.04 -1.25 -4.80 135.00 131.70 3iwk s PRO 335 Ca 0.12 0.42 -0.20 0.00 0.04 0.00 0.00 61.00 61.38 3iwk s PRO 335 Cb -0.01 -2.09 -0.05 0.00 0.04 0.00 0.00 34.50 32.39 3iwk s PRO 335 CO 0.07 -0.86 1.18 0.42 0.04 0.00 0.00 177.00 177.86 3iwk s ILE 336 N -3.24 2.86 0.36 0.56 -1.09 0.10 -4.72 121.20 116.03 3iwk s ILE 336 Ca 0.56 0.55 0.07 0.00 -2.23 0.00 0.00 60.65 59.61 3iwk s ILE 336 Cb -0.11 -3.23 0.31 0.00 -1.58 0.00 0.00 42.46 37.85 3iwk s ILE 336 CO 0.51 -0.10 1.92 1.62 -1.23 0.00 0.00 174.94 177.66 3iwk h VAL 337 N 1.16 0.94 -3.79 2.92 3.04 -1.89 -3.42 116.25 115.20 3iwk h VAL 337 Ca -0.50 -0.25 -0.11 0.00 -1.01 0.00 0.00 66.70 64.83 3iwk h VAL 337 Cb 1.28 0.15 -0.09 0.00 -2.01 0.00 0.00 31.29 30.62 3iwk h VAL 337 CO 0.56 0.13 -0.16 -0.94 -1.01 0.00 0.00 177.57 176.16 3iwk s SER 338 N -6.02 0.12 0.06 3.17 1.04 -1.26 -4.54 113.70 106.27 3iwk s SER 338 Ca -0.10 -1.08 -0.20 0.00 0.48 0.00 0.00 55.95 55.05 3iwk s SER 338 Cb 0.20 0.60 -0.12 0.00 0.10 0.00 0.00 66.02 66.80 3iwk s SER 338 CO 0.78 -1.17 1.45 -0.08 0.98 0.00 0.00 173.24 175.20 3iwk h GLU 339 N 2.25 0.32 -0.98 4.02 4.81 -1.99 -0.78 114.58 122.24 3iwk h GLU 339 Ca -0.28 -0.12 0.06 0.00 -0.13 0.00 0.00 59.36 58.89 3iwk h GLU 339 Cb 1.25 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 30.54 3iwk h GLU 339 CO 0.38 0.59 0.63 0.00 -0.73 0.00 0.00 179.01 179.87 3iwk h ALA 340 N 0.72 1.35 -0.23 2.92 0.00 -2.00 -0.80 119.26 121.22 3iwk h ALA 340 Ca 0.04 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.76 3iwk h ALA 340 Cb 0.47 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 3iwk h ALA 340 CO 0.02 0.43 -0.54 1.96 0.00 0.00 0.00 179.25 181.12 3iwk h GLN 341 N 1.16 0.70 -0.18 0.00 1.08 -1.96 -2.83 115.11 113.07 3iwk h GLN 341 Ca 0.42 -0.44 0.03 0.00 -1.45 0.00 0.00 58.65 57.21 3iwk h GLN 341 Cb 0.14 0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 27.59 3iwk h GLN 341 CO -0.17 1.06 -0.01 -0.92 -0.95 0.00 0.00 178.83 177.85 3iwk h TYR 342 N 0.54 -0.03 -0.75 2.96 3.20 -0.32 -1.88 116.97 120.69 3iwk h TYR 342 Ca 0.01 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.87 3iwk h TYR 342 Cb 1.12 0.04 -0.03 0.00 1.54 0.00 0.00 36.73 39.39 3iwk h TYR 342 CO 0.06 -0.04 0.35 0.87 -1.64 0.00 0.00 178.16 177.76 3iwk h LYS 343 N 0.04 1.08 -0.84 1.82 1.57 -1.23 -1.98 116.57 117.04 3iwk h LYS 343 Ca 0.08 -0.16 0.03 0.00 -1.87 0.00 0.00 60.65 58.73 3iwk h LYS 343 Cb 0.11 -0.19 -0.05 0.00 0.08 0.00 0.00 32.23 32.18 3iwk h LYS 343 CO -0.15 0.85 0.54 0.87 -0.57 0.00 0.00 179.45 180.98 3iwk h LYS 344 N 1.05 1.01 -0.29 3.15 1.57 -1.25 0.13 116.57 121.94 3iwk h LYS 344 Ca 0.26 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.94 3iwk h LYS 344 Cb 0.13 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 3iwk h LYS 344 CO -0.03 0.67 0.04 0.28 -0.57 0.00 0.00 179.45 179.83 3iwk h VAL 345 N 1.04 1.24 -0.64 0.50 2.07 -1.08 -2.27 116.25 117.11 3iwk h VAL 345 Ca 0.33 -0.82 -0.05 0.00 0.82 0.00 0.00 66.70 66.99 3iwk h VAL 345 Cb 0.02 1.22 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 3iwk h VAL 345 CO -0.12 0.26 0.20 -0.07 0.02 0.00 0.00 177.57 177.86 3iwk h LEU 346 N 0.29 0.91 -1.08 2.57 3.38 -1.03 -2.32 115.31 118.02 3iwk h LEU 346 Ca 0.09 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 3iwk h LEU 346 Cb 0.35 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 3iwk h LEU 346 CO 0.01 0.85 0.35 0.78 0.09 0.00 0.00 178.44 180.52 3iwk h ASN 347 N 0.94 0.90 -0.61 -0.43 -0.26 -0.63 -0.69 115.58 114.80 3iwk h ASN 347 Ca 0.21 -0.09 -0.02 0.00 -0.56 0.00 0.00 56.30 55.84 3iwk h ASN 347 Cb 0.27 -0.23 -0.03 0.00 -1.06 0.00 0.00 38.32 37.28 3iwk h ASN 347 CO -0.01 0.75 0.30 0.00 -1.06 0.00 0.00 177.43 177.41 3iwk h ILE 349 N 0.84 0.96 -0.32 0.00 2.04 -0.98 -1.57 117.51 118.49 3iwk h ILE 349 Ca 0.21 -0.46 -0.08 0.00 1.00 0.00 0.00 64.86 65.53 3iwk h ILE 349 Cb 0.11 1.25 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 3iwk h ILE 349 CO -0.03 0.11 -0.15 0.77 0.00 0.00 0.00 178.15 178.85 3iwk h SER 350 N -0.41 0.56 0.04 1.72 4.64 -1.12 -2.25 113.55 116.74 3iwk h SER 350 Ca -0.02 -0.16 -0.06 0.00 -0.47 0.00 0.00 61.79 61.07 3iwk h SER 350 Cb 0.32 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.25 3iwk h SER 350 CO 0.03 0.74 -0.18 0.28 -0.87 0.00 0.00 176.83 176.82 3iwk h SER 351 N 0.52 0.27 -0.60 4.97 0.02 -0.68 -2.08 113.55 115.97 3iwk h SER 351 Ca 0.09 -0.07 -0.07 0.00 -0.84 0.00 0.00 61.79 60.90 3iwk h SER 351 Cb 0.57 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.01 3iwk h SER 351 CO 0.04 0.48 0.10 0.00 -1.14 0.00 0.00 176.83 176.30 3iwk h ALA 352 N 1.55 0.79 -0.11 3.77 0.00 -0.84 -2.61 119.26 121.82 3iwk h ALA 352 Ca 0.05 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.73 3iwk h ALA 352 Cb 0.48 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3iwk h ALA 352 CO 0.03 0.54 -0.08 0.87 0.00 0.00 0.00 179.25 180.61 3iwk h LYS 353 N 0.89 -0.09 -0.38 0.00 1.57 -0.91 -1.53 116.57 116.13 3iwk h LYS 353 Ca 0.18 0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.92 3iwk h LYS 353 Cb 0.42 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.73 3iwk h LYS 353 CO 0.01 -0.06 0.03 0.77 -0.57 0.00 0.00 179.45 179.63 3iwk h SER 354 N -0.09 0.54 0.51 0.86 0.02 -1.34 -1.88 113.55 112.18 3iwk h SER 354 Ca 0.07 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 3iwk h SER 354 Cb 0.19 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.59 3iwk h SER 354 CO -0.16 0.59 0.00 -0.62 -1.14 0.00 0.00 176.83 175.50 3iwk n GLU 355 N -4.28 0.40 0.00 3.45 1.02 -0.99 -4.89 120.64 115.35 3iwk n GLU 355 Ca 0.02 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 3iwk n GLU 355 Cb 0.24 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.16 3iwk n GLU 355 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3iwk n GLY 356 N 1.06 1.17 3.87 0.62 0.00 -0.70 -5.04 105.19 106.17 3iwk n GLY 356 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 3iwk n GLY 356 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iwk s ALA 357 N -2.00 3.35 -0.22 4.61 0.00 -0.59 -4.96 121.76 121.95 3iwk s ALA 357 Ca 0.00 -0.19 -0.10 0.00 0.00 0.00 0.00 51.96 51.67 3iwk s ALA 357 Cb 0.00 -2.71 -0.05 0.00 0.00 0.00 0.00 23.12 20.36 3iwk s ALA 357 CO 0.00 0.01 0.14 0.99 0.00 0.00 0.00 175.76 176.90 3iwk s THR 358 N -2.34 5.32 -0.39 0.00 2.01 -0.04 -4.35 115.64 115.85 3iwk s THR 358 Ca 0.51 0.16 -0.25 0.00 0.31 0.00 0.00 61.69 62.43 3iwk s THR 358 Cb -0.10 -3.45 0.02 0.00 0.01 0.00 0.00 72.50 68.97 3iwk s THR 358 CO 0.30 0.40 0.90 -0.63 -0.69 0.00 0.00 174.62 174.90 3iwk s ILE 359 N 0.71 4.58 0.05 1.82 -1.09 -1.26 -0.80 121.20 125.21 3iwk s ILE 359 Ca 0.07 1.00 -0.00 0.00 -2.23 0.00 0.00 60.65 59.49 3iwk s ILE 359 Cb -0.12 -4.34 -0.26 0.00 -1.58 0.00 0.00 42.46 36.16 3iwk s ILE 359 CO 0.01 -0.60 1.04 -0.07 -1.23 0.00 0.00 174.94 174.09 3iwk h LEU 360 N 10.15 0.29 -7.24 2.97 3.38 -1.64 -3.48 115.31 119.73 3iwk h LEU 360 Ca -0.24 -0.35 -0.07 0.00 0.09 0.00 0.00 57.88 57.31 3iwk h LEU 360 Cb 1.08 -0.09 -0.17 0.00 0.09 0.00 0.00 40.66 41.56 3iwk h LEU 360 CO 0.98 1.29 -0.01 0.28 0.09 0.00 0.00 178.44 181.07 3iwk s THR 361 N -2.65 0.03 0.00 0.22 -1.32 -1.24 -5.00 115.64 105.68 3iwk s THR 361 Ca -0.05 -0.28 0.00 0.00 -1.21 0.00 0.00 61.69 60.16 3iwk s THR 361 Cb 0.08 -0.93 0.00 0.00 -1.51 0.00 0.00 72.50 70.14 3iwk s THR 361 CO 0.86 -0.15 0.00 0.61 -2.21 0.00 0.00 174.62 173.72 3iwk n GLY 362 N 0.62 2.80 2.07 6.08 0.00 -1.22 -2.96 105.19 112.57 3iwk n GLY 362 Ca -0.19 -0.26 -0.02 0.00 0.00 0.00 0.00 46.02 45.55 3iwk n GLY 362 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iwk n GLY 363 N 0.00 0.54 3.83 -0.02 0.00 -1.25 -4.98 105.19 103.31 3iwk n GLY 363 Ca 0.00 -0.94 -0.05 0.00 0.00 0.00 0.00 46.02 45.03 3iwk n GLY 363 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3iwk s ARG 364 N -2.09 1.53 0.20 1.61 1.04 -1.26 -4.96 118.95 115.01 3iwk s ARG 364 Ca 0.00 -0.94 -0.30 0.00 -1.04 0.00 0.00 55.73 53.45 3iwk s ARG 364 Cb 0.00 0.46 -0.09 0.00 -2.04 0.00 0.00 34.95 33.28 3iwk s ARG 364 CO 0.00 -0.71 1.39 0.50 -0.04 0.00 0.00 175.30 176.44 3iwk s ARG 365 N -2.69 4.32 0.26 3.89 3.52 -1.26 -0.87 118.95 126.12 3iwk s ARG 365 Ca 0.17 2.17 -0.30 0.00 -0.13 0.00 0.00 55.73 57.63 3iwk s ARG 365 Cb -0.03 -3.17 -0.11 0.00 -1.56 0.00 0.00 34.95 30.08 3iwk s ARG 365 CO 0.06 -0.37 1.50 -1.25 -0.81 0.00 0.00 175.30 174.43 3iwk s PRO 366 N 0.14 4.21 0.40 5.12 0.04 -1.26 -4.88 135.00 138.77 3iwk s PRO 366 Ca 0.60 2.41 0.07 0.00 0.04 0.00 0.00 61.00 64.12 3iwk s PRO 366 Cb -0.39 -3.08 0.84 0.00 0.04 0.00 0.00 34.50 31.91 3iwk s PRO 366 CO 0.38 -0.51 2.04 1.49 0.04 0.00 0.00 177.00 180.44 3iwk h GLU 367 N 5.01 0.58 -0.12 4.56 4.22 -2.00 -2.57 114.58 124.27 3iwk h GLU 367 Ca -0.46 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 58.94 3iwk h GLU 367 Cb 1.22 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.34 3iwk h GLU 367 CO 0.79 0.39 0.00 -2.39 -2.18 0.00 0.00 179.01 175.61 3iwk n HIS 368 N -4.47 0.15 -3.65 0.92 1.44 -1.26 -4.55 115.22 103.80 3iwk n HIS 368 Ca 0.05 -0.08 -0.29 0.00 -2.01 0.00 0.00 57.72 55.39 3iwk n HIS 368 Cb 0.10 0.00 -0.15 0.00 0.12 0.00 0.00 29.99 30.06 3iwk n HIS 368 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 3iwk s LEU 369 N -1.31 1.57 0.16 2.39 1.43 -0.97 -5.00 118.68 116.94 3iwk s LEU 369 Ca 0.21 -1.56 0.13 0.00 -1.03 0.00 0.00 54.13 51.88 3iwk s LEU 369 Cb 0.11 -0.66 -0.08 0.00 0.03 0.00 0.00 46.19 45.58 3iwk s LEU 369 CO 0.16 -0.42 1.19 0.11 0.23 0.00 0.00 176.35 177.63 3iwk h LYS 370 N 8.12 0.00 -6.32 1.70 6.56 -1.81 -3.43 116.57 121.38 3iwk h LYS 370 Ca -0.15 0.00 -0.60 0.00 -1.06 0.00 0.00 60.65 58.85 3iwk h LYS 370 Cb 1.01 0.00 -0.11 0.00 -0.57 0.00 0.00 32.23 32.56 3iwk h LYS 370 CO 0.45 0.59 -0.66 0.15 -2.06 0.00 0.00 179.45 177.93 3iwk s LYS 371 N -2.85 2.39 0.00 3.15 -0.14 -1.26 -5.07 119.74 115.96 3iwk s LYS 371 Ca 0.01 -1.15 0.00 0.00 -1.36 0.00 0.00 55.97 53.47 3iwk s LYS 371 Cb 0.09 -2.33 0.00 0.00 -1.68 0.00 0.00 37.83 33.91 3iwk s LYS 371 CO 0.79 0.44 0.00 0.41 -0.76 0.00 0.00 175.35 176.23 3iwk n GLY 372 N -0.24 2.21 2.52 -3.33 0.00 -1.24 -4.80 105.19 100.31 3iwk n GLY 372 Ca -0.09 -1.89 -0.40 0.00 0.00 0.00 0.00 46.02 43.63 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 1.98 2.63 -3.47 1.61 0.53 -0.65 -4.96 117.16 114.82 3iwk n TYR 373 Ca 0.00 -2.79 -0.37 0.00 -1.02 0.00 0.00 57.90 53.72 3iwk n TYR 373 Cb 0.00 -1.76 -0.07 0.00 -1.03 0.00 0.00 39.34 36.48 3iwk n TYR 373 CO 0.00 0.00 0.00 -0.06 -1.02 0.00 0.00 176.86 175.78 3iwk s PHE 374 N -1.48 3.49 0.03 -0.72 0.40 -1.26 0.01 117.98 118.44 3iwk s PHE 374 Ca 0.52 0.70 0.08 0.00 -0.60 0.00 0.00 56.93 57.63 3iwk s PHE 374 Cb 0.18 -2.40 -0.02 0.00 0.51 0.00 0.00 43.02 41.28 3iwk s PHE 374 CO -0.09 0.23 -0.24 0.08 0.70 0.00 0.00 175.22 175.90 3iwk s VAL 375 N 0.46 1.92 0.45 -0.44 1.01 -1.26 -4.24 120.40 118.29 3iwk s VAL 375 Ca 0.20 -1.23 -0.23 0.00 0.00 0.00 0.00 61.98 60.72 3iwk s VAL 375 Cb -0.14 -1.64 -0.08 0.00 0.00 0.00 0.00 36.38 34.52 3iwk s VAL 375 CO 0.06 0.36 1.10 -1.61 0.00 0.00 0.00 175.10 175.01 3iwk s GLU 376 N -1.04 3.88 -0.12 2.72 2.02 -0.05 -4.88 118.70 121.23 3iwk s GLU 376 Ca 0.10 1.60 -0.38 0.00 0.02 0.00 0.00 54.97 56.30 3iwk s GLU 376 Cb -0.09 -2.37 -0.15 0.00 0.10 0.00 0.00 34.13 31.61 3iwk s GLU 376 CO 0.01 -0.40 1.63 -2.30 0.02 0.00 0.00 175.26 174.22 3iwk n PRO 377 N -0.47 1.32 -4.93 0.39 -0.02 -1.26 -3.95 135.00 126.07 3iwk n PRO 377 Ca 0.07 0.48 -0.33 0.00 -2.02 0.00 0.00 63.50 61.71 3iwk n PRO 377 Cb 0.50 -2.18 -0.16 0.00 -0.02 0.00 0.00 33.50 31.64 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 2.53 2.51 -0.11 3.45 2.01 -0.28 -3.44 115.64 122.31 3iwk s THR 378 Ca 0.92 -0.85 0.03 0.00 0.31 0.00 0.00 61.69 62.10 3iwk s THR 378 Cb -0.97 -2.02 -0.00 0.00 0.01 0.00 0.00 72.50 69.52 3iwk s THR 378 CO 0.57 0.54 -0.21 -0.63 -0.69 0.00 0.00 174.62 174.20 3iwk s ILE 379 N 0.43 2.33 -0.13 1.82 1.01 -1.16 -0.19 121.20 125.31 3iwk s ILE 379 Ca -0.14 -0.92 0.02 0.00 0.00 0.00 0.00 60.65 59.61 3iwk s ILE 379 Cb -0.17 -1.92 0.01 0.00 0.01 0.00 0.00 42.46 40.40 3iwk s ILE 379 CO 0.06 0.55 -0.19 -0.63 0.00 0.00 0.00 174.94 174.73 3iwk s ILE 380 N 0.39 1.82 0.40 2.92 1.01 0.13 -1.46 121.20 126.39 3iwk s ILE 380 Ca -0.16 -0.82 0.01 0.00 0.00 0.00 0.00 60.65 59.68 3iwk s ILE 380 Cb -0.17 -1.63 0.01 0.00 0.01 0.00 0.00 42.46 40.68 3iwk s ILE 380 CO 0.07 0.50 0.10 1.07 0.00 0.00 0.00 174.94 176.68 3iwk n THR 381 N 4.24 0.00 -3.66 2.92 5.66 0.02 -0.18 114.28 123.28 3iwk n THR 381 Ca -0.19 -1.78 -0.23 0.00 -3.05 0.00 0.00 64.05 58.79 3iwk n THR 381 Cb 0.51 0.20 0.06 0.00 -1.55 0.00 0.00 70.33 69.55 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 -1.44 -3.90 -4.78 1.09 10.43 -1.26 -0.86 116.55 115.84 3iwk n ASP 382 Ca -0.11 -0.68 -0.37 0.00 2.57 0.00 0.00 54.79 56.19 3iwk n ASP 382 Cb 0.49 -4.56 -0.06 0.00 1.84 0.00 0.00 41.12 38.82 3iwk n ASP 382 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3iwk s VAL 383 N -3.40 5.17 0.10 2.53 1.01 -1.26 -4.33 120.40 120.23 3iwk s VAL 383 Ca 0.35 0.76 0.04 0.00 0.00 0.00 0.00 61.98 63.14 3iwk s VAL 383 Cb -0.16 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 3iwk s VAL 383 CO 0.77 0.46 0.04 -0.89 0.00 0.00 0.00 175.10 175.47 3iwk s THR 384 N -0.16 4.21 0.59 3.92 2.01 -1.26 -4.90 115.64 120.05 3iwk s THR 384 Ca 0.22 -0.95 0.29 0.00 0.31 0.00 0.00 61.69 61.56 3iwk s THR 384 Cb -0.15 -3.03 0.37 0.00 0.01 0.00 0.00 72.50 69.70 3iwk s THR 384 CO 0.09 0.09 1.95 0.74 -0.69 0.00 0.00 174.62 176.80 3iwk h THR 385 N 2.68 0.39 0.00 -0.82 2.02 -1.99 -1.93 112.91 113.25 3iwk h THR 385 Ca -0.47 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.71 3iwk h THR 385 Cb 1.17 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 68.25 3iwk h THR 385 CO 0.62 0.00 -0.49 -1.54 0.37 0.00 0.00 175.52 174.47 3iwk n SER 386 N -3.73 0.49 -4.80 4.18 3.41 -1.26 -4.76 113.62 107.16 3iwk n SER 386 Ca 0.06 -0.21 -0.34 0.00 -0.26 0.00 0.00 58.87 58.13 3iwk n SER 386 Cb 0.58 0.23 -0.01 0.00 -0.26 0.00 0.00 64.21 64.75 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 -3.01 3.48 0.27 4.33 1.00 -0.73 -4.96 119.30 119.69 3iwk s MET 387 Ca 0.11 1.33 -0.03 0.00 0.00 0.00 0.00 55.69 57.10 3iwk s MET 387 Cb 0.17 -2.05 0.37 0.00 0.00 0.00 0.00 34.83 33.32 3iwk s MET 387 CO 0.70 -0.69 1.86 1.96 0.00 0.00 0.00 175.02 178.84 3iwk h GLN 388 N 0.95 0.98 0.00 2.03 4.20 -1.92 -2.62 115.11 118.73 3iwk h GLN 388 Ca -0.48 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.08 3iwk h GLN 388 Cb 1.23 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.83 3iwk h GLN 388 CO 0.58 0.78 0.00 0.44 -0.67 0.00 0.00 178.83 179.96 3iwk n ILE 389 N -4.32 0.76 0.01 2.54 -6.64 -1.26 -0.52 119.36 109.94 3iwk n ILE 389 Ca 0.06 0.13 -0.14 0.00 -1.77 0.00 0.00 62.75 61.04 3iwk n ILE 389 Cb 0.16 -0.97 -0.14 0.00 -1.44 0.00 0.00 39.64 37.25 3iwk n ILE 389 CO 0.00 0.00 0.00 -0.25 -1.77 0.00 0.00 176.55 174.53 3iwk h TRP 390 N 0.00 0.23 0.05 4.28 2.91 -1.76 -3.42 115.95 118.25 3iwk h TRP 390 Ca 0.00 -0.17 -0.35 0.00 1.13 0.00 0.00 58.89 59.50 3iwk h TRP 390 Cb 0.40 -0.01 -0.04 0.00 -0.51 0.00 0.00 29.16 29.00 3iwk h TRP 390 CO 0.00 1.30 -2.05 0.54 -1.03 0.00 0.00 178.44 177.20 3iwk n ARG 391 N -3.27 0.69 -4.60 2.65 1.74 -0.97 -4.97 116.66 107.92 3iwk n ARG 391 Ca -0.20 0.22 -0.32 0.00 -0.77 0.00 0.00 57.85 56.78 3iwk n ARG 391 Cb 1.04 -1.68 -0.12 0.00 -1.02 0.00 0.00 32.46 30.69 3iwk n ARG 391 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3iwk s GLU 392 N -2.55 2.41 -0.02 5.56 2.02 0.32 -4.93 118.70 121.51 3iwk s GLU 392 Ca -0.18 -0.79 -0.30 0.00 0.02 0.00 0.00 54.97 53.73 3iwk s GLU 392 Cb 0.07 -2.39 -0.06 0.00 0.10 0.00 0.00 34.13 31.85 3iwk s GLU 392 CO 0.76 0.59 1.67 -2.00 0.02 0.00 0.00 175.26 176.30 3iwk s GLU 393 N -1.28 4.19 -0.08 1.61 2.12 -1.26 -4.70 118.70 119.30 3iwk s GLU 393 Ca 0.15 2.24 -0.21 0.00 0.36 0.00 0.00 54.97 57.51 3iwk s GLU 393 Cb -0.11 -3.91 -0.29 0.00 0.26 0.00 0.00 34.13 30.08 3iwk s GLU 393 CO 0.05 -0.82 0.77 0.28 -0.54 0.00 0.00 175.26 175.00 3iwk h VAL 394 N 5.41 1.38 -4.91 3.70 2.07 -1.93 -3.49 116.25 118.48 3iwk h VAL 394 Ca -0.41 -2.47 -0.32 0.00 0.82 0.00 0.00 66.70 64.32 3iwk h VAL 394 Cb 1.19 3.05 0.11 0.00 -1.52 0.00 0.00 31.29 34.12 3iwk h VAL 394 CO 0.95 0.69 -0.55 0.33 0.02 0.00 0.00 177.57 179.00 3iwk n PHE 395 N -4.11 -2.30 -4.08 1.57 7.35 -1.26 -4.65 117.46 109.98 3iwk n PHE 395 Ca -0.17 0.82 -0.13 0.00 -0.76 0.00 0.00 57.45 57.20 3iwk n PHE 395 Cb 0.82 -4.28 -0.05 0.00 0.35 0.00 0.00 39.48 36.32 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 -3.32 1.29 -1.23 7.13 0.00 -1.19 -4.45 107.32 105.56 3iwk s GLY 396 Ca 0.44 -1.40 -0.16 0.00 0.00 0.00 0.00 44.72 43.60 3iwk s GLY 396 CO 0.59 -0.95 2.16 -1.55 0.00 0.00 0.00 173.10 173.34 3iwk n PRO 397 N -0.51 2.42 -3.86 2.90 -0.04 -1.17 -4.58 135.00 130.17 3iwk n PRO 397 Ca 0.00 -2.31 -0.24 0.00 -0.04 0.00 0.00 63.50 60.92 3iwk n PRO 397 Cb 0.62 -3.13 -0.17 0.00 -0.04 0.00 0.00 33.50 30.78 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 3.75 0.58 -0.22 0.52 1.01 -1.26 -1.12 120.40 123.67 3iwk s VAL 398 Ca 0.51 -0.02 -0.03 0.00 0.00 0.00 0.00 61.98 62.44 3iwk s VAL 398 Cb 0.14 -0.68 0.00 0.00 0.00 0.00 0.00 36.38 35.84 3iwk s VAL 398 CO -0.02 0.29 -0.07 -0.22 0.00 0.00 0.00 175.10 175.08 3iwk s LEU 399 N 1.77 2.80 -0.01 3.92 1.98 0.74 -4.85 118.68 125.04 3iwk s LEU 399 Ca 0.03 -0.49 -0.19 0.00 -2.89 0.00 0.00 54.13 50.59 3iwk s LEU 399 Cb -0.13 -1.69 -0.05 0.00 0.66 0.00 0.00 46.19 44.98 3iwk s LEU 399 CO -0.05 -0.03 0.54 0.00 -1.89 0.00 0.00 176.35 174.91 3iwk s ALA 400 N 1.43 3.54 -0.07 5.97 0.00 -0.10 0.17 121.76 132.70 3iwk s ALA 400 Ca 0.05 -0.05 0.06 0.00 0.00 0.00 0.00 51.96 52.02 3iwk s ALA 400 Cb -0.14 -2.64 -0.01 0.00 0.00 0.00 0.00 23.12 20.33 3iwk s ALA 400 CO -0.05 0.24 -0.25 0.08 0.00 0.00 0.00 175.76 175.78 3iwk s VAL 401 N -0.38 2.07 0.14 0.00 1.01 0.75 -0.48 120.40 123.51 3iwk s VAL 401 Ca 0.28 -1.05 -0.00 0.00 0.00 0.00 0.00 61.98 61.21 3iwk s VAL 401 Cb -0.18 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 3iwk s VAL 401 CO 0.16 0.57 0.05 -0.54 0.00 0.00 0.00 175.10 175.33 3iwk s LYS 402 N -0.04 0.98 0.12 2.72 1.02 -0.07 -3.98 119.74 120.49 3iwk s LYS 402 Ca -0.07 -1.47 0.09 0.00 0.02 0.00 0.00 55.97 54.54 3iwk s LYS 402 Cb -0.15 0.12 -0.04 0.00 -0.52 0.00 0.00 37.83 37.25 3iwk s LYS 402 CO 0.05 -0.24 -0.19 0.99 -0.92 0.00 0.00 175.35 175.04 3iwk s THR 403 N -3.96 2.77 0.16 2.17 2.01 -1.26 -1.66 115.64 115.87 3iwk s THR 403 Ca 0.25 -1.54 -0.00 0.00 0.31 0.00 0.00 61.69 60.71 3iwk s THR 403 Cb 0.07 -2.26 -0.04 0.00 0.01 0.00 0.00 72.50 70.28 3iwk s THR 403 CO 0.03 0.10 0.07 0.72 -0.69 0.00 0.00 174.62 174.84 3iwk s PHE 404 N -1.13 1.03 -0.04 4.92 -0.12 -0.27 -4.87 117.98 117.50 3iwk s PHE 404 Ca 0.17 -1.23 -0.00 0.00 -0.05 0.00 0.00 56.93 55.83 3iwk s PHE 404 Cb -0.10 -0.56 -0.02 0.00 -0.63 0.00 0.00 43.02 41.70 3iwk s PHE 404 CO 0.10 -0.48 -0.04 -1.13 -0.05 0.00 0.00 175.22 173.62 3iwk n SER 405 N -0.18 3.23 -4.88 1.98 3.41 -1.26 -0.29 113.62 115.63 3iwk n SER 405 Ca -0.04 -0.01 -0.26 0.00 -0.26 0.00 0.00 58.87 58.31 3iwk n SER 405 Cb 0.64 -0.07 -0.04 0.00 -0.26 0.00 0.00 64.21 64.48 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 -2.08 4.91 0.17 6.66 -4.23 -1.26 -4.93 115.64 114.88 3iwk s THR 406 Ca -0.05 -0.92 -0.14 0.00 -1.18 0.00 0.00 61.69 59.40 3iwk s THR 406 Cb 0.01 -3.53 0.05 0.00 1.34 0.00 0.00 72.50 70.37 3iwk s THR 406 CO 0.08 -0.13 1.81 -0.08 -0.54 0.00 0.00 174.62 175.76 3iwk h GLU 407 N 2.16 0.54 -0.56 3.99 4.81 -1.99 -1.28 114.58 122.25 3iwk h GLU 407 Ca -0.48 -0.03 0.06 0.00 -0.13 0.00 0.00 59.36 58.77 3iwk h GLU 407 Cb 1.20 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.43 3iwk h GLU 407 CO 0.65 0.36 0.37 1.49 -0.73 0.00 0.00 179.01 181.16 3iwk h GLU 408 N 0.56 0.51 -0.15 1.92 4.57 -1.99 -1.03 114.58 118.97 3iwk h GLU 408 Ca 0.19 -0.03 -0.18 0.00 -1.18 0.00 0.00 59.36 58.16 3iwk h GLU 408 Cb 0.02 -0.12 0.01 0.00 -0.16 0.00 0.00 28.75 28.50 3iwk h GLU 408 CO -0.09 0.34 -0.60 1.49 -1.18 0.00 0.00 179.01 178.97 3iwk h GLU 409 N 0.53 0.67 -0.67 1.92 4.81 -1.82 -2.21 114.58 117.81 3iwk h GLU 409 Ca 0.24 -0.52 0.04 0.00 -0.13 0.00 0.00 59.36 58.99 3iwk h GLU 409 Cb 0.29 0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.72 3iwk h GLU 409 CO -0.07 1.14 0.41 0.00 -0.73 0.00 0.00 179.01 179.76 3iwk h ALA 410 N 0.54 0.88 -0.33 2.92 0.00 -0.51 -1.18 119.26 121.59 3iwk h ALA 410 Ca -0.03 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3iwk h ALA 410 Cb 1.23 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 3iwk h ALA 410 CO 0.13 0.15 0.06 0.82 0.00 0.00 0.00 179.25 180.40 3iwk h ILE 411 N 0.79 1.23 -0.61 0.00 2.04 -1.22 -0.93 117.51 118.81 3iwk h ILE 411 Ca 0.28 -0.80 -0.01 0.00 1.00 0.00 0.00 64.86 65.32 3iwk h ILE 411 Cb 0.07 1.13 -0.03 0.00 -0.74 0.00 0.00 36.82 37.25 3iwk h ILE 411 CO -0.13 0.27 0.32 0.78 0.00 0.00 0.00 178.15 179.39 3iwk h ASN 412 N 0.37 0.77 -0.49 1.72 2.35 -1.17 -1.44 115.58 117.69 3iwk h ASN 412 Ca 0.10 -0.10 -0.10 0.00 -0.55 0.00 0.00 56.30 55.65 3iwk h ASN 412 Cb 0.34 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 3iwk h ASN 412 CO 0.01 0.66 -0.07 -0.07 -1.65 0.00 0.00 177.43 176.30 3iwk h LEU 413 N 0.83 0.94 -0.82 1.61 3.38 -1.15 -2.22 115.31 117.89 3iwk h LEU 413 Ca 0.21 -0.28 -0.07 0.00 0.09 0.00 0.00 57.88 57.83 3iwk h LEU 413 Cb 0.06 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 3iwk h LEU 413 CO -0.03 1.04 0.09 0.00 0.09 0.00 0.00 178.44 179.62 3iwk h ALA 414 N 1.05 1.02 -0.20 1.53 0.00 -0.90 -2.65 119.26 119.12 3iwk h ALA 414 Ca 0.15 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3iwk h ALA 414 Cb 0.60 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3iwk h ALA 414 CO 0.04 0.62 0.00 0.09 0.00 0.00 0.00 179.25 180.00 3iwk n ASN 415 N -4.22 1.87 -3.72 0.00 3.02 -0.57 -4.65 115.26 106.99 3iwk n ASN 415 Ca 0.04 -1.75 -0.42 0.00 -0.03 0.00 0.00 54.58 52.41 3iwk n ASN 415 Cb 0.28 -0.13 -0.01 0.00 -0.61 0.00 0.00 39.78 39.32 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 0.46 3.71 -3.53 6.41 2.03 -0.84 -4.81 116.55 119.98 3iwk n ASP 416 Ca 0.16 -2.82 -0.12 0.00 0.52 0.00 0.00 54.79 52.54 3iwk n ASP 416 Cb 0.36 -1.59 -0.04 0.00 -0.72 0.00 0.00 41.12 39.12 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 3.44 0.00 -0.92 5.18 -1.32 -1.26 -4.98 115.64 115.77 3iwk s THR 417 Ca 0.48 0.00 0.26 0.00 -1.21 0.00 0.00 61.69 61.22 3iwk s THR 417 Cb 0.14 -1.00 0.07 0.00 -1.51 0.00 0.00 72.50 70.20 3iwk s THR 417 CO -0.06 0.00 1.51 0.00 -2.21 0.00 0.00 174.62 173.85 3iwk n HIS 418 N 0.38 0.13 -2.14 9.09 1.44 -1.26 -4.89 115.22 117.97 3iwk n HIS 418 Ca -0.12 0.04 -0.28 0.00 -2.01 0.00 0.00 57.72 55.35 3iwk n HIS 418 Cb 0.59 -0.40 0.18 0.00 0.12 0.00 0.00 29.99 30.49 3iwk n HIS 418 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 3iwk n TYR 419 N -1.64 -3.68 -2.65 -1.40 4.02 -1.26 -1.47 117.16 109.08 3iwk n TYR 419 Ca 0.05 -1.38 -0.03 0.00 -0.01 0.00 0.00 57.90 56.54 3iwk n TYR 419 Cb 0.36 -0.95 0.05 0.00 -0.02 0.00 0.00 39.34 38.77 3iwk n TYR 419 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3iwk n GLY 420 N -3.52 -1.42 0.00 2.72 0.00 -1.21 -4.70 105.19 97.07 3iwk n GLY 420 Ca 0.17 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.71 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 0.03 1.41 -4.97 0.99 7.94 -1.26 -0.64 117.00 120.50 3iwk n LEU 421 Ca -0.18 0.01 -0.21 0.00 -1.11 0.00 0.00 56.01 54.52 3iwk n LEU 421 Cb 0.70 -0.01 0.02 0.00 0.53 0.00 0.00 43.42 44.66 3iwk n LEU 421 CO -0.12 -0.01 0.18 -0.83 -1.11 0.00 0.00 177.39 175.50 3iwk s GLY 422 N -1.03 1.98 -0.21 -3.96 0.00 -1.26 -1.56 107.32 101.28 3iwk s GLY 422 Ca 0.00 -1.82 -0.32 0.00 0.00 0.00 0.00 44.72 42.58 3iwk s GLY 422 CO 0.00 -1.70 1.21 -1.35 0.00 0.00 0.00 173.10 171.26 3iwk s SER 423 N -4.42 -0.16 -0.10 1.64 1.04 -0.50 -4.17 113.70 107.03 3iwk s SER 423 Ca 0.52 0.09 -0.08 0.00 0.48 0.00 0.00 55.95 56.96 3iwk s SER 423 Cb -0.05 0.14 0.03 0.00 0.10 0.00 0.00 66.02 66.24 3iwk s SER 423 CO 0.32 -0.20 0.26 0.00 0.98 0.00 0.00 173.24 174.60 3iwk s ALA 424 N -1.73 -0.65 -0.13 5.32 0.00 -0.41 0.04 121.76 124.20 3iwk s ALA 424 Ca 0.07 0.81 0.01 0.00 0.00 0.00 0.00 51.96 52.85 3iwk s ALA 424 Cb -0.01 -0.48 -0.00 0.00 0.00 0.00 0.00 23.12 22.63 3iwk s ALA 424 CO -0.04 -0.14 -0.17 0.08 0.00 0.00 0.00 175.76 175.49 3iwk s VAL 425 N 0.36 2.61 -0.24 0.00 1.01 0.09 -0.47 120.40 123.76 3iwk s VAL 425 Ca -0.02 -0.81 -0.02 0.00 0.00 0.00 0.00 61.98 61.14 3iwk s VAL 425 Cb -0.03 -2.08 0.02 0.00 0.00 0.00 0.00 36.38 34.29 3iwk s VAL 425 CO -0.02 0.53 -0.06 -0.04 0.00 0.00 0.00 175.10 175.51 3iwk s MET 426 N 0.57 2.92 -0.29 2.72 -1.94 0.93 -0.28 119.30 123.93 3iwk s MET 426 Ca -0.10 -0.92 -0.23 0.00 -1.71 0.00 0.00 55.69 52.73 3iwk s MET 426 Cb -0.16 -2.98 0.15 0.00 2.01 0.00 0.00 34.83 33.86 3iwk s MET 426 CO 0.04 -0.36 1.16 0.45 -0.01 0.00 0.00 175.02 176.30 3iwk s SER 427 N 1.35 -0.31 0.25 3.03 0.15 -1.26 -1.67 113.70 115.24 3iwk s SER 427 Ca 0.01 0.58 0.06 0.00 0.70 0.00 0.00 55.95 57.29 3iwk s SER 427 Cb -0.16 0.70 0.30 0.00 -1.71 0.00 0.00 66.02 65.15 3iwk s SER 427 CO -0.05 -0.10 1.59 0.78 1.20 0.00 0.00 173.24 176.67 3iwk h ASN 428 N 4.22 0.23 -2.62 5.45 2.35 -1.58 -3.42 115.58 120.22 3iwk h ASN 428 Ca -0.28 -0.13 -0.55 0.00 -0.55 0.00 0.00 56.30 54.79 3iwk h ASN 428 Cb 1.18 -0.07 -0.04 0.00 0.05 0.00 0.00 38.32 39.45 3iwk h ASN 428 CO 0.15 0.76 1.24 -0.62 -1.65 0.00 0.00 177.43 177.31 3iwk s ASP 429 N -6.89 5.83 0.26 5.81 -1.08 -1.26 -4.89 116.67 114.45 3iwk s ASP 429 Ca -0.04 0.87 0.12 0.00 -0.52 0.00 0.00 52.55 52.99 3iwk s ASP 429 Cb 0.12 -2.53 0.26 0.00 -1.46 0.00 0.00 42.92 39.31 3iwk s ASP 429 CO 0.79 -1.83 1.54 -0.07 0.52 0.00 0.00 175.17 176.11 3iwk h LEU 430 N 14.07 0.00 -0.68 -1.34 3.38 -2.00 -2.71 115.31 126.03 3iwk h LEU 430 Ca -0.30 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.66 3iwk h LEU 430 Cb 1.15 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.87 3iwk h LEU 430 CO 1.10 0.64 0.38 -0.33 0.09 0.00 0.00 178.44 180.32 3iwk h GLU 431 N 0.00 0.95 -0.38 1.13 5.08 -1.97 -1.82 114.58 117.57 3iwk h GLU 431 Ca -0.01 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.24 3iwk h GLU 431 Cb 1.25 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.30 3iwk h GLU 431 CO 0.08 0.71 0.19 -0.09 -1.00 0.00 0.00 179.01 178.90 3iwk h ARG 432 N 0.94 0.53 -0.48 2.33 2.43 -1.93 -1.56 114.38 116.64 3iwk h ARG 432 Ca 0.24 -0.07 0.05 0.00 -0.81 0.00 0.00 59.98 59.39 3iwk h ARG 432 Cb 0.03 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 29.43 3iwk h ARG 432 CO -0.04 0.46 0.22 0.00 -1.51 0.00 0.00 179.97 179.10 3iwk h GLU 434 N 0.43 0.81 -0.77 0.00 4.81 -1.15 0.12 114.58 118.84 3iwk h GLU 434 Ca 0.22 -0.06 0.05 0.00 -0.13 0.00 0.00 59.36 59.44 3iwk h GLU 434 Cb 0.16 -0.18 -0.05 0.00 0.63 0.00 0.00 28.75 29.31 3iwk h GLU 434 CO -0.18 0.56 0.47 -0.09 -0.73 0.00 0.00 179.01 179.04 3iwk h ARG 435 N 0.82 0.85 -0.06 1.92 2.43 -0.86 -2.42 114.38 117.06 3iwk h ARG 435 Ca 0.22 -0.05 -0.19 0.00 -0.81 0.00 0.00 59.98 59.15 3iwk h ARG 435 Cb -0.05 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.30 3iwk h ARG 435 CO -0.04 0.56 -0.76 -0.07 -1.51 0.00 0.00 179.97 178.14 3iwk h LEU 436 N 0.87 0.43 -2.05 3.80 3.38 -0.80 -2.49 115.31 118.46 3iwk h LEU 436 Ca 0.33 -0.30 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 3iwk h LEU 436 Cb 0.12 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 3iwk h LEU 436 CO -0.15 1.04 -0.08 0.77 0.09 0.00 0.00 178.44 180.11 3iwk h SER 437 N 0.24 0.00 0.22 -0.43 4.64 -0.34 0.89 113.55 118.77 3iwk h SER 437 Ca -0.04 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 60.99 3iwk h SER 437 Cb 1.34 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.47 3iwk h SER 437 CO 0.13 0.08 -1.28 0.11 -0.87 0.00 0.00 176.83 175.00 3iwk h LYS 438 N 0.00 0.48 -0.02 4.77 1.57 -1.29 -3.37 116.57 118.71 3iwk h LYS 438 Ca -0.00 -0.81 -0.17 0.00 -1.87 0.00 0.00 60.65 57.80 3iwk h LYS 438 Cb 0.19 0.30 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 3iwk h LYS 438 CO 0.01 1.39 -0.74 0.00 -0.57 0.00 0.00 179.45 179.54 3iwk h ALA 439 N 0.13 0.71 -2.55 3.86 0.00 -0.92 -3.45 119.26 117.05 3iwk h ALA 439 Ca -0.22 -0.64 -0.53 0.00 0.00 0.00 0.00 54.91 53.52 3iwk h ALA 439 Cb 2.01 -0.09 0.03 0.00 0.00 0.00 0.00 17.79 19.75 3iwk h ALA 439 CO 0.24 0.85 0.90 -0.51 0.00 0.00 0.00 179.25 180.73 3iwk s LEU 440 N -7.58 4.37 -1.16 0.00 1.43 0.24 -4.93 118.68 111.05 3iwk s LEU 440 Ca -0.03 2.54 -0.14 0.00 -1.03 0.00 0.00 54.13 55.48 3iwk s LEU 440 Cb 0.11 -3.58 0.18 0.00 0.03 0.00 0.00 46.19 42.93 3iwk s LEU 440 CO 0.80 -0.83 1.35 -1.10 0.23 0.00 0.00 176.35 176.80 3iwk s GLN 441 N 1.62 4.05 0.12 1.70 -0.21 -1.26 -4.94 119.66 120.74 3iwk s GLN 441 Ca 0.71 -2.60 -0.13 0.00 0.02 0.00 0.00 55.36 53.35 3iwk s GLN 441 Cb -0.42 -4.96 0.02 0.00 1.00 0.00 0.00 33.01 28.65 3iwk s GLN 441 CO 0.31 -1.68 0.33 0.00 -2.12 0.00 0.00 175.29 172.14 3iwk s ALA 442 N 1.23 -0.62 -0.28 6.09 0.00 -1.26 -4.54 121.76 122.38 3iwk s ALA 442 Ca 0.40 -0.32 0.20 0.00 0.00 0.00 0.00 51.96 52.23 3iwk s ALA 442 Cb -0.04 0.66 0.28 0.00 0.00 0.00 0.00 23.12 24.02 3iwk s ALA 442 CO -0.02 -0.62 1.56 0.78 0.00 0.00 0.00 175.76 177.47 3iwk h GLY 443 N 2.49 0.00 -6.24 0.00 0.00 -1.11 -3.45 103.07 94.75 3iwk h GLY 443 Ca -0.33 0.00 -0.39 0.00 0.00 0.00 0.00 47.33 46.61 3iwk h GLY 443 CO 0.49 0.00 -0.77 -0.42 0.00 0.00 0.00 176.54 175.84 3iwk s ILE 444 N -3.14 0.45 -0.12 2.60 1.01 -0.60 -4.77 121.20 116.62 3iwk s ILE 444 Ca 0.05 -0.08 0.03 0.00 0.00 0.00 0.00 60.65 60.65 3iwk s ILE 444 Cb 0.06 -0.49 0.01 0.00 0.01 0.00 0.00 42.46 42.05 3iwk s ILE 444 CO 0.70 0.20 -0.20 -0.69 0.00 0.00 0.00 174.94 174.95 3iwk s VAL 445 N 0.90 1.89 -0.12 2.92 1.01 -1.26 -1.41 120.40 124.33 3iwk s VAL 445 Ca -0.11 -0.89 -0.06 0.00 0.00 0.00 0.00 61.98 60.92 3iwk s VAL 445 Cb -0.14 -1.68 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 3iwk s VAL 445 CO -0.00 0.52 0.10 0.26 0.00 0.00 0.00 175.10 175.98 3iwk s TRP 446 N 0.78 3.45 -0.23 5.22 0.51 0.11 -4.98 118.94 123.79 3iwk s TRP 446 Ca -0.09 0.40 0.00 0.00 -2.12 0.00 0.00 56.10 54.29 3iwk s TRP 446 Cb -0.16 -1.93 0.03 0.00 -0.81 0.00 0.00 33.47 30.60 3iwk s TRP 446 CO -0.00 0.59 -0.11 0.42 -0.51 0.00 0.00 176.95 177.34 3iwk s ILE 447 N -0.77 2.51 -1.63 2.03 1.01 -1.26 -0.73 121.20 122.37 3iwk s ILE 447 Ca 0.13 -1.15 0.00 0.00 0.00 0.00 0.00 60.65 59.63 3iwk s ILE 447 Cb -0.12 -2.27 0.00 0.00 0.01 0.00 0.00 42.46 40.08 3iwk s ILE 447 CO 0.03 0.23 0.00 0.59 0.00 0.00 0.00 174.94 175.79 3iwk n ASN 448 N 4.60 -5.28 -3.15 3.58 3.02 0.61 -4.97 115.26 113.68 3iwk n ASN 448 Ca -0.17 0.07 -0.07 0.00 -0.03 0.00 0.00 54.58 54.38 3iwk n ASN 448 Cb 0.47 -4.35 0.02 0.00 -0.61 0.00 0.00 39.78 35.30 3iwk n ASN 448 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3iwk s ALA 450 N -2.52 -1.08 0.00 0.00 0.00 -1.26 -4.71 121.76 112.19 3iwk s ALA 450 Ca 0.16 1.47 0.00 0.00 0.00 0.00 0.00 51.96 53.58 3iwk s ALA 450 Cb -0.05 -1.19 0.00 0.00 0.00 0.00 0.00 23.12 21.88 3iwk s ALA 450 CO 0.09 -0.61 0.00 1.04 0.00 0.00 0.00 175.76 176.28 3iwk n GLN 451 N 5.08 0.00 -1.66 0.00 1.13 -1.26 -4.48 117.38 116.19 3iwk n GLN 451 Ca -0.12 0.00 -0.46 0.00 -1.94 0.00 0.00 57.00 54.47 3iwk n GLN 451 Cb 0.51 0.00 -0.04 0.00 0.11 0.00 0.00 30.24 30.82 3iwk n GLN 451 CO 0.00 0.00 0.00 -2.30 -1.44 0.00 0.00 177.06 173.32 3iwk n PRO 452 N -0.90 2.00 -3.95 -1.09 -0.02 -1.26 -4.95 135.00 124.83 3iwk n PRO 452 Ca 0.00 0.72 -0.31 0.00 -2.02 0.00 0.00 63.50 61.89 3iwk n PRO 452 Cb 0.00 -2.44 -0.15 0.00 -0.02 0.00 0.00 33.50 30.89 3iwk n PRO 452 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3iwk s SER 453 N 0.68 4.50 0.18 2.55 1.04 -1.26 -5.10 113.70 116.29 3iwk s SER 453 Ca 0.76 -2.30 -0.28 0.00 0.48 0.00 0.00 55.95 54.61 3iwk s SER 453 Cb -0.70 -1.49 -0.08 0.00 0.10 0.00 0.00 66.02 63.85 3iwk s SER 453 CO 0.42 -0.35 0.89 -0.36 0.98 0.00 0.00 173.24 174.83 3iwk s PHE 454 N 0.71 3.91 -0.59 5.02 0.40 -1.26 -4.96 117.98 121.22 3iwk s PHE 454 Ca 0.12 1.79 0.21 0.00 -0.60 0.00 0.00 56.93 58.46 3iwk s PHE 454 Cb -0.21 -2.93 0.90 0.00 0.51 0.00 0.00 43.02 41.29 3iwk s PHE 454 CO -0.08 0.40 1.66 0.44 0.70 0.00 0.00 175.22 178.34 3iwk n ILE 455 N 1.89 0.87 0.27 0.64 -6.64 -1.26 -2.19 119.36 112.94 3iwk n ILE 455 Ca -0.02 0.24 0.12 0.00 -1.77 0.00 0.00 62.75 61.32 3iwk n ILE 455 Cb 0.48 -1.13 0.19 0.00 -1.44 0.00 0.00 39.64 37.74 3iwk n ILE 455 CO 0.00 0.00 0.00 1.56 -1.77 0.00 0.00 176.55 176.34 3iwk h GLN 456 N 0.00 0.00 -5.94 6.28 7.50 -1.93 0.45 115.11 121.47 3iwk h GLN 456 Ca 0.00 0.00 -0.68 0.00 0.50 0.00 0.00 58.65 58.47 3iwk h GLN 456 Cb 0.34 0.00 -0.14 0.00 0.05 0.00 0.00 27.48 27.72 3iwk h GLN 456 CO 0.00 0.00 -0.61 0.00 -1.50 0.00 0.00 178.83 176.72 3iwk s ALA 457 N -3.20 3.33 0.39 3.87 0.00 -0.93 -4.08 121.76 121.14 3iwk s ALA 457 Ca 0.07 -0.79 -0.27 0.00 0.00 0.00 0.00 51.96 50.97 3iwk s ALA 457 Cb 0.06 -1.52 -0.09 0.00 0.00 0.00 0.00 23.12 21.57 3iwk s ALA 457 CO 0.67 0.58 1.35 -1.25 0.00 0.00 0.00 175.76 177.11 3iwk s PRO 458 N -0.87 4.02 -0.05 0.00 0.04 -1.26 -3.95 135.00 132.93 3iwk s PRO 458 Ca 0.13 2.28 0.00 0.00 0.04 0.00 0.00 61.00 63.45 3iwk s PRO 458 Cb -0.11 -2.84 0.02 0.00 0.04 0.00 0.00 34.50 31.61 3iwk s PRO 458 CO 0.02 -0.50 -0.03 -0.46 0.04 0.00 0.00 177.00 176.08 3iwk s TRP 459 N -1.20 0.72 0.00 0.56 -0.11 0.70 -4.95 118.94 114.66 3iwk s TRP 459 Ca 0.55 -0.20 0.00 0.00 1.22 0.00 0.00 56.10 57.67 3iwk s TRP 459 Cb -0.41 -0.71 0.00 0.00 -1.50 0.00 0.00 33.47 30.85 3iwk s TRP 459 CO 0.53 -0.24 0.00 0.41 -4.62 0.00 0.00 176.95 173.03 3iwk n GLY 460 N 4.43 0.20 3.77 5.86 0.00 -1.26 0.18 105.19 118.37 3iwk n GLY 460 Ca -0.19 -1.10 -0.29 0.00 0.00 0.00 0.00 46.02 44.44 3iwk n GLY 460 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3iwk s GLY 461 N 0.00 2.66 0.50 -0.02 0.00 -1.26 -4.04 107.32 105.16 3iwk s GLY 461 Ca 0.00 -1.19 0.01 0.00 0.00 0.00 0.00 44.72 43.54 3iwk s GLY 461 CO 0.00 -2.07 0.03 -0.26 0.00 0.00 0.00 173.10 170.80 3iwk s ILE 462 N -2.77 1.01 0.00 0.90 -4.36 0.19 -4.02 121.20 112.16 3iwk s ILE 462 Ca 0.24 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.63 3iwk s ILE 462 Cb 0.02 -2.16 0.00 0.00 1.25 0.00 0.00 42.46 41.58 3iwk s ILE 462 CO 0.13 0.00 0.00 0.29 0.24 0.00 0.00 174.94 175.60 3iwk n LYS 463 N -1.21 0.00 -0.01 0.37 5.02 -1.26 -1.83 118.16 119.24 3iwk n LYS 463 Ca -0.17 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.21 3iwk n LYS 463 Cb 0.67 0.00 0.55 0.00 -0.02 0.00 0.00 35.03 36.22 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 1.09 0.00 1.97 1.74 -0.55 -2.21 116.66 132.70 3iwk n ARG 464 Ca 0.00 -0.14 0.14 0.00 -0.77 0.00 0.00 57.85 57.09 3iwk n ARG 464 Cb 0.00 -1.31 0.67 0.00 -1.02 0.00 0.00 32.46 30.80 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 -0.66 0.07 0.00 0.55 7.64 -0.76 -4.65 113.62 115.81 3iwk n SER 465 Ca 0.15 0.03 0.00 0.00 1.01 0.00 0.00 58.87 60.06 3iwk n SER 465 Cb 0.10 -0.31 0.00 0.00 -1.01 0.00 0.00 64.21 62.99 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 1.37 -0.05 3.53 0.23 0.00 -0.94 -0.47 105.19 108.87 3iwk n GLY 466 Ca 0.11 -2.08 -0.10 0.00 0.00 0.00 0.00 46.02 43.95 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 -0.38 0.00 1.61 -0.71 -0.76 -3.84 117.98 113.90 3iwk s PHE 467 Ca 0.00 0.08 0.00 0.00 -1.04 0.00 0.00 56.93 55.97 3iwk s PHE 467 Cb 0.00 0.55 0.00 0.00 -1.21 0.00 0.00 43.02 42.36 3iwk s PHE 467 CO 0.00 -0.94 0.00 0.41 -1.34 0.00 0.00 175.22 173.35 3iwk n GLY 468 N -0.38 0.09 3.08 1.99 0.00 -1.26 -1.81 105.19 106.89 3iwk n GLY 468 Ca -0.13 -1.68 -0.24 0.00 0.00 0.00 0.00 46.02 43.97 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 -3.17 1.55 0.44 1.61 1.81 -1.26 -4.37 118.95 115.56 3iwk s ARG 469 Ca 0.00 -0.49 0.08 0.00 -1.72 0.00 0.00 55.73 53.60 3iwk s ARG 469 Cb 0.00 -1.35 0.01 0.00 -0.45 0.00 0.00 34.95 33.17 3iwk s ARG 469 CO 0.00 0.17 0.57 -2.00 -0.68 0.00 0.00 175.30 173.35 3iwk s GLU 470 N 0.20 2.73 0.43 3.54 2.56 0.13 -3.86 118.70 124.42 3iwk s GLU 470 Ca -0.06 -1.33 0.00 0.00 0.00 0.00 0.00 54.97 53.58 3iwk s GLU 470 Cb -0.12 -2.69 0.00 0.00 2.00 0.00 0.00 34.13 33.33 3iwk s GLU 470 CO 0.02 -0.33 0.00 1.28 -0.56 0.00 0.00 175.26 175.67 3iwk n LEU 471 N -1.85 -0.72 0.00 2.70 4.77 -1.26 -0.21 117.00 120.42 3iwk n LEU 471 Ca 0.08 1.68 0.00 0.00 -0.03 0.00 0.00 56.01 57.74 3iwk n LEU 471 Cb 0.60 -2.60 0.00 0.00 -2.33 0.00 0.00 43.42 39.09 3iwk n LEU 471 CO 0.40 -1.76 0.00 0.61 -1.33 0.00 0.00 177.39 175.30 3iwk n GLY 472 N -3.75 0.98 0.10 -0.72 0.00 0.16 -0.41 105.19 101.56 3iwk n GLY 472 Ca -0.06 -0.74 0.12 0.00 0.00 0.00 0.00 46.02 45.34 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 0.19 -0.13 1.61 1.02 -1.26 -2.72 120.64 119.35 3iwk n GLU 473 Ca 0.00 0.30 -0.10 0.00 -0.02 0.00 0.00 57.16 57.33 3iwk n GLU 473 Cb 0.00 -1.79 0.03 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 1.05 -0.67 -0.32 6.55 -1.83 -1.98 115.95 118.75 3iwk h TRP 474 Ca 0.00 -0.26 0.11 0.00 0.95 0.00 0.00 58.89 59.69 3iwk h TRP 474 Cb 0.51 -0.24 -0.08 0.00 -0.86 0.00 0.00 29.16 28.49 3iwk h TRP 474 CO 0.00 1.06 0.26 0.78 -1.05 0.00 0.00 178.44 179.49 3iwk h GLY 475 N 0.90 0.96 0.84 1.49 0.00 -0.52 -2.00 103.07 104.74 3iwk h GLY 475 Ca 0.10 -0.14 -0.00 0.00 0.00 0.00 0.00 47.33 47.29 3iwk h GLY 475 CO 0.07 -0.03 0.02 -2.00 0.00 0.00 0.00 176.54 174.60 3iwk h LEU 476 N 0.44 0.10 -1.79 3.11 6.46 -1.60 -3.11 115.31 118.91 3iwk h LEU 476 Ca 0.35 -0.18 0.04 0.00 -0.12 0.00 0.00 57.88 57.97 3iwk h LEU 476 Cb 0.45 -0.02 -0.02 0.00 -0.73 0.00 0.00 40.66 40.34 3iwk h LEU 476 CO -0.33 0.25 0.22 -0.33 -0.62 0.00 0.00 178.44 177.62 3iwk h GLU 477 N -0.06 0.27 -0.24 1.25 4.39 -1.00 -1.39 114.58 117.79 3iwk h GLU 477 Ca 0.02 -0.02 0.07 0.00 0.34 0.00 0.00 59.36 59.78 3iwk h GLU 477 Cb 0.18 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 3iwk h GLU 477 CO -0.00 0.18 0.24 -0.97 -1.16 0.00 0.00 179.01 177.30 3iwk h ASN 478 N 0.27 0.00 -0.23 1.42 -0.00 -1.30 -1.99 115.58 113.76 3iwk h ASN 478 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.44 3iwk h ASN 478 Cb 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.53 3iwk h ASN 478 CO -0.03 0.00 0.00 -1.22 -0.00 0.00 0.00 177.43 176.18 3iwk n TYR 479 N -3.90 0.44 -4.30 0.67 4.02 -0.53 -4.98 117.16 108.57 3iwk n TYR 479 Ca 0.03 -0.62 -0.28 0.00 -0.01 0.00 0.00 57.90 57.01 3iwk n TYR 479 Cb 0.38 -0.11 -0.10 0.00 -0.02 0.00 0.00 39.34 39.49 3iwk n TYR 479 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3iwk s LEU 480 N -1.56 2.82 0.16 7.72 1.43 -0.75 -1.02 118.68 127.48 3iwk s LEU 480 Ca 0.23 -0.57 0.10 0.00 -1.03 0.00 0.00 54.13 52.87 3iwk s LEU 480 Cb 0.16 -1.59 -0.04 0.00 0.03 0.00 0.00 46.19 44.75 3iwk s LEU 480 CO 0.10 0.15 -0.22 -0.94 0.23 0.00 0.00 176.35 175.67 3iwk s SER 481 N -2.45 3.61 -0.25 2.29 1.04 0.17 -4.74 113.70 113.38 3iwk s SER 481 Ca 0.21 -0.73 -0.14 0.00 0.48 0.00 0.00 55.95 55.77 3iwk s SER 481 Cb -0.10 -0.37 -0.04 0.00 0.10 0.00 0.00 66.02 65.61 3iwk s SER 481 CO 0.12 0.15 0.34 -0.69 0.98 0.00 0.00 173.24 174.14 3iwk s VAL 482 N -1.41 5.22 -0.25 5.02 1.01 -1.26 -1.47 120.40 127.26 3iwk s VAL 482 Ca 0.19 0.53 -0.04 0.00 0.00 0.00 0.00 61.98 62.66 3iwk s VAL 482 Cb -0.09 -3.67 0.01 0.00 0.00 0.00 0.00 36.38 32.63 3iwk s VAL 482 CO 0.10 0.22 -0.02 -0.75 0.00 0.00 0.00 175.10 174.65 3iwk s LYS 483 N 1.67 3.12 -0.05 2.72 2.20 -0.01 -4.99 119.74 124.41 3iwk s LYS 483 Ca 0.15 -0.80 -0.30 0.00 -0.36 0.00 0.00 55.97 54.65 3iwk s LYS 483 Cb -0.15 -3.09 -0.03 0.00 -1.51 0.00 0.00 37.83 33.06 3iwk s LYS 483 CO 0.09 -0.33 1.05 -1.14 -0.36 0.00 0.00 175.35 174.65 3iwk s GLN 484 N 1.43 4.46 -0.26 4.03 0.74 -1.26 -1.13 119.66 127.67 3iwk s GLN 484 Ca 0.03 1.48 0.01 0.00 0.05 0.00 0.00 55.36 56.93 3iwk s GLN 484 Cb -0.16 -3.50 0.05 0.00 1.10 0.00 0.00 33.01 30.51 3iwk s GLN 484 CO -0.02 -0.24 -0.09 0.08 -0.55 0.00 0.00 175.29 174.47 3iwk s VAL 485 N 1.61 2.43 -0.11 1.34 1.01 -0.32 -4.99 120.40 121.36 3iwk s VAL 485 Ca 0.52 -1.46 0.03 0.00 0.00 0.00 0.00 61.98 61.07 3iwk s VAL 485 Cb -0.21 -2.37 0.01 0.00 0.00 0.00 0.00 36.38 33.80 3iwk s VAL 485 CO 0.23 0.02 -0.22 -0.89 0.00 0.00 0.00 175.10 174.24 3iwk s THR 486 N 1.17 1.98 -0.03 3.92 2.01 -1.26 -1.56 115.64 121.87 3iwk s THR 486 Ca -0.06 -0.95 0.06 0.00 0.31 0.00 0.00 61.69 61.05 3iwk s THR 486 Cb -0.19 -1.73 -0.01 0.00 0.01 0.00 0.00 72.50 70.58 3iwk s THR 486 CO -0.05 0.54 -0.22 -0.60 -0.69 0.00 0.00 174.62 173.60 3iwk s ARG 487 N 0.58 2.00 -0.30 4.92 3.52 0.98 -4.98 118.95 125.67 3iwk s ARG 487 Ca -0.13 -0.78 -0.21 0.00 -0.13 0.00 0.00 55.73 54.48 3iwk s ARG 487 Cb -0.17 -1.81 -0.01 0.00 -1.56 0.00 0.00 34.95 31.41 3iwk s ARG 487 CO 0.04 0.39 0.67 -0.47 -0.81 0.00 0.00 175.30 175.13 3iwk s TYR 488 N -0.29 3.22 -0.78 5.12 5.04 -1.26 -0.84 117.35 127.56 3iwk s TYR 488 Ca 0.02 0.68 0.20 0.00 -2.44 0.00 0.00 57.07 55.54 3iwk s TYR 488 Cb -0.11 -3.03 -0.24 0.00 0.35 0.00 0.00 41.96 38.94 3iwk s TYR 488 CO 0.01 -0.48 0.78 0.25 -1.34 0.00 0.00 175.55 174.78 3iwk n THR 489 N 5.40 0.00 -2.97 4.34 -2.24 -0.01 -4.97 114.28 113.83 3iwk n THR 489 Ca 0.00 -0.11 -0.33 0.00 -2.27 0.00 0.00 64.05 61.35 3iwk n THR 489 Cb 0.49 0.82 -0.07 0.00 -2.10 0.00 0.00 70.33 69.47 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 -3.18 6.87 0.00 3.42 0.15 -1.23 -4.98 113.70 114.75 3iwk s SER 490 Ca 0.05 1.50 0.26 0.00 0.70 0.00 0.00 55.95 58.46 3iwk s SER 490 Cb 0.15 -2.46 0.70 0.00 -1.71 0.00 0.00 66.02 62.70 3iwk s SER 490 CO 0.83 -0.28 1.54 0.47 1.20 0.00 0.00 173.24 177.00 3iwk n ASP 491 N -0.49 1.44 -4.80 5.45 9.92 -1.26 -4.95 116.55 121.86 3iwk n ASP 491 Ca 0.05 -1.23 -0.35 0.00 -0.53 0.00 0.00 54.79 52.74 3iwk n ASP 491 Cb 0.54 0.13 -0.06 0.00 -0.64 0.00 0.00 41.12 41.09 3iwk n ASP 491 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 3iwk s GLU 492 N -2.31 4.20 0.78 -1.24 0.41 -1.26 -5.03 118.70 114.24 3iwk s GLU 492 Ca 0.28 1.29 -0.14 0.00 -0.41 0.00 0.00 54.97 55.99 3iwk s GLU 492 Cb 0.20 -2.35 0.07 0.00 -1.78 0.00 0.00 34.13 30.26 3iwk s GLU 492 CO 0.46 -0.08 1.21 -2.14 -0.49 0.00 0.00 175.26 174.22 3iwk s PRO 493 N -2.84 1.80 0.30 0.39 0.02 -1.26 -4.92 135.00 128.49 3iwk s PRO 493 Ca 0.60 1.78 0.00 0.00 0.02 0.00 0.00 61.00 63.41 3iwk s PRO 493 Cb -0.15 -1.79 0.47 0.00 0.02 0.00 0.00 34.50 33.05 3iwk s PRO 493 CO 0.19 -2.10 1.87 2.35 -0.33 0.00 0.00 177.00 178.98 3iwk h TRP 494 N -0.67 0.80 -2.49 6.54 -0.00 -1.98 -3.47 115.95 114.68 3iwk h TRP 494 Ca -0.47 -0.06 -0.30 0.00 -0.00 0.00 0.00 58.89 58.07 3iwk h TRP 494 Cb 1.30 -0.24 0.00 0.00 -0.00 0.00 0.00 29.16 30.22 3iwk h TRP 494 CO 0.46 0.65 -0.40 0.41 -0.00 0.00 0.00 178.44 179.56 3iwk n GLY 495 N -0.97 -0.23 0.13 2.65 0.00 -1.26 -4.92 105.19 100.59 3iwk n GLY 495 Ca 0.04 -0.22 -0.21 0.00 0.00 0.00 0.00 46.02 45.63 3iwk n GLY 495 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 3iwk n TRP 496 N -4.06 0.85 -3.85 1.61 -0.00 -1.26 -4.96 117.44 105.78 3iwk n TRP 496 Ca -0.15 0.20 -0.29 0.00 -0.00 0.00 0.00 57.50 57.26 3iwk n TRP 496 Cb 0.62 -1.11 -0.04 0.00 -0.00 0.00 0.00 31.31 30.79 3iwk n TRP 496 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 177.69 178.40 3iwk s TYR 497 N -2.53 3.49 -0.13 5.87 2.02 -1.26 -5.07 117.35 119.74 3iwk s TYR 497 Ca -0.27 0.26 -0.29 0.00 -0.37 0.00 0.00 57.07 56.40 3iwk s TYR 497 Cb 0.08 -1.78 -0.03 0.00 -0.40 0.00 0.00 41.96 39.83 3iwk s TYR 497 CO 0.70 0.50 1.35 -0.65 -1.57 0.00 0.00 175.55 175.88 3iwk s GLN 498 N -2.96 4.23 0.50 -0.62 -1.52 -1.26 -5.02 119.66 113.00 3iwk s GLN 498 Ca 0.36 1.79 -0.23 0.00 -1.95 0.00 0.00 55.36 55.34 3iwk s GLN 498 Cb -0.12 -3.80 -0.06 0.00 -0.22 0.00 0.00 33.01 28.81 3iwk s GLN 498 CO 0.28 -0.72 1.28 -1.25 -0.25 0.00 0.00 175.29 174.63 3iwk s PRO 499 N 3.54 3.47 0.51 2.91 0.04 -1.26 -4.99 135.00 139.21 3iwk s PRO 499 Ca 0.59 2.06 -0.22 0.00 0.04 0.00 0.00 61.00 63.47 3iwk s PRO 499 Cb -0.25 -2.37 -0.06 0.00 0.04 0.00 0.00 34.50 31.86 3iwk s PRO 499 CO 0.19 -0.87 1.25 -1.25 0.04 0.00 0.00 177.00 176.35 3iwk s PRO 500 N -2.75 3.42 -0.16 0.56 0.04 -1.26 -4.97 135.00 129.87 3iwk s PRO 500 Ca 0.67 1.97 -0.16 0.00 0.04 0.00 0.00 61.00 63.53 3iwk s PRO 500 Cb -0.36 -2.29 -0.23 0.00 0.04 0.00 0.00 34.50 31.66 3iwk s PRO 500 CO 0.43 -0.89 0.33 0.66 0.04 0.00 0.00 177.00 177.57 3iwk h SER 501 N 1.68 0.21 0.00 6.66 4.64 -2.06 -3.57 113.55 121.10 3iwk h SER 501 Ca -0.50 -0.72 0.00 0.00 -0.47 0.00 0.00 61.79 60.09 3iwk h SER 501 Cb 1.27 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3iwk h SER 501 CO 0.58 1.64 0.00 0.29 -0.87 0.00 0.00 176.83 178.47