#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iwk s SER 7 N 0.00 4.48 0.38 6.43 0.15 -1.26 -5.04 113.70 118.84 3iwk s SER 7 Ca 0.00 -2.95 0.08 0.00 0.70 0.00 0.00 55.95 53.78 3iwk s SER 7 Cb 0.00 -1.67 -0.01 0.00 -1.71 0.00 0.00 66.02 62.62 3iwk s SER 7 CO 0.00 -0.26 0.41 -0.13 1.20 0.00 0.00 173.24 174.46 3iwk s ARG 8 N -0.20 2.72 0.00 5.44 1.81 -1.26 -5.14 118.95 122.32 3iwk s ARG 8 Ca 0.17 -1.34 0.00 0.00 -1.72 0.00 0.00 55.73 52.84 3iwk s ARG 8 Cb -0.25 -2.54 0.00 0.00 -0.45 0.00 0.00 34.95 31.71 3iwk s ARG 8 CO -0.01 -0.10 0.00 1.04 -0.68 0.00 0.00 175.30 175.55 3iwk n GLN 9 N -1.58 2.63 -2.60 3.54 1.13 -1.26 -4.42 117.38 114.82 3iwk n GLN 9 Ca 0.03 0.00 -0.35 0.00 -1.94 0.00 0.00 57.00 54.73 3iwk n GLN 9 Cb 0.60 0.00 -0.04 0.00 0.11 0.00 0.00 30.24 30.91 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 4.05 -0.47 1.08 1.43 -0.65 -4.82 118.68 119.31 3iwk s LEU 10 Ca 0.00 1.95 -0.13 0.00 -1.03 0.00 0.00 54.13 54.92 3iwk s LEU 10 Cb 0.00 -4.31 0.09 0.00 0.03 0.00 0.00 46.19 41.99 3iwk s LEU 10 CO 0.00 -0.51 0.36 0.12 0.23 0.00 0.00 176.35 176.55 3iwk s PHE 11 N -1.81 3.30 -0.07 0.29 5.36 -0.93 -0.71 117.98 123.41 3iwk s PHE 11 Ca 0.60 -1.29 0.01 0.00 -0.96 0.00 0.00 56.93 55.29 3iwk s PHE 11 Cb -0.18 -3.24 0.02 0.00 -0.34 0.00 0.00 43.02 39.27 3iwk s PHE 11 CO 0.23 -0.87 -0.08 0.42 -1.46 0.00 0.00 175.22 173.46 3iwk s ILE 12 N 1.53 0.89 -1.49 3.12 1.01 0.08 -0.25 121.20 126.10 3iwk s ILE 12 Ca 0.04 -0.30 -0.12 0.00 0.00 0.00 0.00 60.65 60.27 3iwk s ILE 12 Cb -0.25 -0.87 0.07 0.00 0.01 0.00 0.00 42.46 41.41 3iwk s ILE 12 CO 0.04 0.32 1.04 -0.67 0.00 0.00 0.00 174.94 175.66 3iwk n ASP 13 N 4.22 -5.16 0.00 3.58 2.03 -1.26 -1.12 116.55 118.84 3iwk n ASP 13 Ca -0.20 -0.72 0.00 0.00 0.52 0.00 0.00 54.79 54.39 3iwk n ASP 13 Cb 0.51 -4.19 0.00 0.00 -0.72 0.00 0.00 41.12 36.72 3iwk n ASP 13 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3iwk n GLY 14 N -1.77 0.47 3.21 0.27 0.00 -1.26 -4.37 105.19 101.73 3iwk n GLY 14 Ca 0.03 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.88 3iwk n GLY 14 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3iwk s GLU 15 N -0.32 0.93 -0.14 1.61 0.41 -0.28 -4.92 118.70 115.99 3iwk s GLU 15 Ca 0.00 -1.18 -0.29 0.00 -0.41 0.00 0.00 54.97 53.08 3iwk s GLU 15 Cb 0.00 -0.73 -0.01 0.00 -1.78 0.00 0.00 34.13 31.61 3iwk s GLU 15 CO 0.00 0.13 1.03 -1.58 -0.49 0.00 0.00 175.26 174.35 3iwk s TRP 16 N -2.23 3.44 -0.04 1.61 0.52 -1.26 -0.74 118.94 120.25 3iwk s TRP 16 Ca 0.07 1.54 0.01 0.00 0.02 0.00 0.00 56.10 57.74 3iwk s TRP 16 Cb -0.04 -3.23 0.02 0.00 -1.15 0.00 0.00 33.47 29.07 3iwk s TRP 16 CO 0.02 -0.36 -0.05 1.03 0.02 0.00 0.00 176.95 177.61 3iwk s ARG 17 N 2.39 0.81 0.29 4.98 1.81 0.11 -4.93 118.95 124.41 3iwk s ARG 17 Ca 0.47 -0.13 -0.29 0.00 -1.72 0.00 0.00 55.73 54.06 3iwk s ARG 17 Cb -0.18 -0.80 -0.10 0.00 -0.45 0.00 0.00 34.95 33.42 3iwk s ARG 17 CO 0.14 -0.04 1.41 0.08 -0.68 0.00 0.00 175.30 176.22 3iwk s VAL 18 N 0.73 2.59 0.40 3.52 1.01 -1.26 -1.63 120.40 125.76 3iwk s VAL 18 Ca -0.10 0.53 -0.26 0.00 0.00 0.00 0.00 61.98 62.15 3iwk s VAL 18 Cb -0.13 -3.34 -0.10 0.00 0.00 0.00 0.00 36.38 32.81 3iwk s VAL 18 CO 0.00 0.10 1.22 -2.65 0.00 0.00 0.00 175.10 173.77 3iwk n PRO 19 N 1.70 1.84 -0.23 2.72 -0.02 -1.26 -4.89 135.00 134.86 3iwk n PRO 19 Ca 0.04 0.65 0.03 0.00 -2.02 0.00 0.00 63.50 62.20 3iwk n PRO 19 Cb 0.40 -2.30 0.12 0.00 -0.02 0.00 0.00 33.50 31.71 3iwk n PRO 19 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3iwk h ILE 20 N 2.07 0.42 -0.05 4.25 1.08 -1.93 0.13 117.51 123.48 3iwk h ILE 20 Ca -0.47 -0.04 0.00 0.00 -0.39 0.00 0.00 64.86 63.97 3iwk h ILE 20 Cb 1.30 0.31 0.00 0.00 -3.07 0.00 0.00 36.82 35.36 3iwk h ILE 20 CO 0.60 0.02 0.00 0.18 -0.69 0.00 0.00 178.15 178.26 3iwk n LEU 21 N -5.32 1.14 -3.68 1.44 4.32 -1.26 -4.96 117.00 108.69 3iwk n LEU 21 Ca 0.11 -0.42 -0.28 0.00 -0.02 0.00 0.00 56.01 55.40 3iwk n LEU 21 Cb 0.40 -0.03 -0.01 0.00 -1.62 0.00 0.00 43.42 42.16 3iwk n LEU 21 CO 0.08 0.21 -0.02 -3.20 -1.22 0.00 0.00 177.39 173.24 3iwk n ASN 22 N -0.08 -3.60 -4.95 -1.43 2.85 0.03 -4.98 115.26 103.11 3iwk n ASN 22 Ca 0.19 -0.61 -0.24 0.00 -0.11 0.00 0.00 54.58 53.81 3iwk n ASN 22 Cb 0.28 -2.96 -0.02 0.00 1.24 0.00 0.00 39.78 38.32 3iwk n ASN 22 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 3iwk s LYS 23 N -6.35 3.48 0.04 1.20 1.02 -1.26 -5.02 119.74 112.85 3iwk s LYS 23 Ca 0.53 -0.47 -0.02 0.00 0.02 0.00 0.00 55.97 56.04 3iwk s LYS 23 Cb -0.28 -2.78 -0.03 0.00 -0.52 0.00 0.00 37.83 34.22 3iwk s LYS 23 CO 0.65 0.30 -0.00 1.03 -0.92 0.00 0.00 175.35 176.41 3iwk s ARG 24 N -3.96 0.50 -0.16 1.68 0.52 -1.26 -0.80 118.95 115.46 3iwk s ARG 24 Ca 0.38 -0.91 -0.01 0.00 -0.52 0.00 0.00 55.73 54.66 3iwk s ARG 24 Cb -0.10 0.18 -0.01 0.00 0.52 0.00 0.00 34.95 35.54 3iwk s ARG 24 CO 0.32 -0.10 -0.11 0.42 0.02 0.00 0.00 175.30 175.85 3iwk s ILE 25 N -2.79 3.05 0.63 1.52 1.01 0.37 -4.82 121.20 120.17 3iwk s ILE 25 Ca -0.04 -0.64 -0.18 0.00 0.00 0.00 0.00 60.65 59.80 3iwk s ILE 25 Cb -0.00 -2.31 -0.02 0.00 0.01 0.00 0.00 42.46 40.14 3iwk s ILE 25 CO -0.06 0.50 1.23 -2.16 0.00 0.00 0.00 174.94 174.45 3iwk s PRO 26 N 0.76 2.71 -0.17 2.79 0.04 -1.26 -1.46 135.00 138.40 3iwk s PRO 26 Ca -0.05 1.88 0.01 0.00 0.04 0.00 0.00 61.00 62.88 3iwk s PRO 26 Cb -0.15 -1.89 0.01 0.00 0.04 0.00 0.00 34.50 32.51 3iwk s PRO 26 CO 0.01 -1.43 -0.18 1.21 0.04 0.00 0.00 177.00 176.65 3iwk s ASN 27 N -1.63 3.29 -0.18 6.66 2.47 0.25 -4.85 114.94 120.95 3iwk s ASN 27 Ca 0.78 -0.60 -0.08 0.00 0.42 0.00 0.00 52.86 53.39 3iwk s ASN 27 Cb -0.32 -1.51 -0.04 0.00 -1.45 0.00 0.00 41.25 37.93 3iwk s ASN 27 CO 0.37 0.02 0.07 -0.63 -3.72 0.00 0.00 177.10 173.21 3iwk s ILE 28 N 1.18 4.83 -0.16 -5.21 1.01 -1.26 -0.48 121.20 121.11 3iwk s ILE 28 Ca 0.02 -0.02 -0.29 0.00 0.00 0.00 0.00 60.65 60.36 3iwk s ILE 28 Cb -0.14 -3.18 -0.02 0.00 0.01 0.00 0.00 42.46 39.13 3iwk s ILE 28 CO -0.09 0.46 1.43 0.21 0.00 0.00 0.00 174.94 176.95 3iwk s ASN 29 N 0.36 6.74 0.48 3.58 3.04 -0.08 -4.94 114.94 124.12 3iwk s ASN 29 Ca 0.03 1.75 0.18 0.00 0.04 0.00 0.00 52.86 54.86 3iwk s ASN 29 Cb -0.12 -2.54 1.15 0.00 -1.54 0.00 0.00 41.25 38.20 3iwk s ASN 29 CO -0.00 -0.93 2.04 1.55 -3.04 0.00 0.00 177.10 176.72 3iwk h PRO 30 N 9.10 0.00 0.00 0.43 0.13 -1.82 0.26 132.00 140.10 3iwk h PRO 30 Ca -0.31 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.78 3iwk h PRO 30 Cb 1.13 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 3iwk h PRO 30 CO 0.98 0.14 -0.43 0.66 -0.23 0.00 0.00 178.00 179.12 3iwk h SER 31 N 0.00 0.00 0.00 1.44 4.64 -1.92 -0.85 113.55 116.86 3iwk h SER 31 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3iwk h SER 31 Cb 0.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 3iwk h SER 31 CO 0.02 0.18 -0.99 0.35 -0.87 0.00 0.00 176.83 175.51 3iwk n THR 32 N -3.04 0.00 -1.22 2.95 -2.24 -1.09 -3.19 114.28 106.45 3iwk n THR 32 Ca 0.02 -0.21 -0.08 0.00 -2.27 0.00 0.00 64.05 61.51 3iwk n THR 32 Cb 0.61 0.55 -0.03 0.00 -2.10 0.00 0.00 70.33 69.36 3iwk n THR 32 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3iwk n GLU 33 N -1.55 -1.23 -3.87 -0.78 1.02 0.90 -4.59 120.64 110.54 3iwk n GLU 33 Ca -0.00 0.70 -0.37 0.00 -0.02 0.00 0.00 57.16 57.47 3iwk n GLU 33 Cb 0.14 -4.80 -0.06 0.00 -0.02 0.00 0.00 31.44 26.71 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 -2.43 6.40 -0.01 1.62 0.01 -1.24 -4.84 114.94 114.45 3iwk s ASN 34 Ca 0.00 0.47 -0.30 0.00 -0.71 0.00 0.00 52.86 52.32 3iwk s ASN 34 Cb 0.00 -2.07 -0.07 0.00 0.41 0.00 0.00 41.25 39.52 3iwk s ASN 34 CO 0.00 0.40 1.77 -0.63 -1.51 0.00 0.00 177.10 177.13 3iwk s ILE 35 N -1.06 3.35 -0.05 0.60 1.01 -1.26 -0.90 121.20 122.89 3iwk s ILE 35 Ca 0.16 0.44 0.07 0.00 0.00 0.00 0.00 60.65 61.32 3iwk s ILE 35 Cb -0.12 -3.28 0.11 0.00 0.01 0.00 0.00 42.46 39.18 3iwk s ILE 35 CO 0.05 -0.04 1.05 2.30 0.00 0.00 0.00 174.94 178.30 3iwk n ILE 36 N 5.48 1.31 -2.51 2.92 -5.35 0.37 -4.94 119.36 116.64 3iwk n ILE 36 Ca 0.18 -1.45 0.00 0.00 -0.27 0.00 0.00 62.75 61.21 3iwk n ILE 36 Cb 0.42 0.23 0.00 0.00 -1.74 0.00 0.00 39.64 38.55 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 -0.84 -0.87 3.43 3.28 0.00 -1.23 -5.00 105.19 103.95 3iwk n GLY 37 Ca 0.06 -1.43 -0.13 0.00 0.00 0.00 0.00 46.02 44.52 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 -3.48 0.58 0.05 1.61 1.47 -1.26 -0.58 116.67 115.05 3iwk s ASP 38 Ca 0.00 -1.36 0.02 0.00 1.18 0.00 0.00 52.55 52.39 3iwk s ASP 38 Cb 0.00 0.57 -0.03 0.00 -0.34 0.00 0.00 42.92 43.12 3iwk s ASP 38 CO 0.00 -1.13 -0.07 0.27 0.68 0.00 0.00 175.17 174.92 3iwk s ILE 39 N -3.58 0.51 0.39 2.11 -4.36 -0.53 -4.82 121.20 110.90 3iwk s ILE 39 Ca 0.32 -1.15 -0.27 0.00 -0.26 0.00 0.00 60.65 59.29 3iwk s ILE 39 Cb 0.02 -0.69 -0.09 0.00 1.25 0.00 0.00 42.46 42.95 3iwk s ILE 39 CO 0.16 -0.45 1.32 -2.16 0.24 0.00 0.00 174.94 174.06 3iwk s PRO 40 N -1.81 4.05 -0.55 0.37 0.04 -1.26 -0.48 135.00 135.34 3iwk s PRO 40 Ca -0.08 2.21 -0.13 0.00 0.04 0.00 0.00 61.00 63.03 3iwk s PRO 40 Cb -0.08 -2.83 0.14 0.00 0.04 0.00 0.00 34.50 31.76 3iwk s PRO 40 CO -0.00 -0.44 0.48 0.00 0.04 0.00 0.00 177.00 177.07 3iwk s ALA 41 N -1.23 3.61 0.38 8.56 0.00 0.02 -3.80 121.76 129.31 3iwk s ALA 41 Ca 0.55 -2.66 -0.25 0.00 0.00 0.00 0.00 51.96 49.60 3iwk s ALA 41 Cb -0.39 -3.12 -0.09 0.00 0.00 0.00 0.00 23.12 19.51 3iwk s ALA 41 CO 0.51 -2.02 1.06 0.00 0.00 0.00 0.00 175.76 175.32 3iwk s ALA 42 N 1.28 3.13 0.48 0.00 0.00 0.20 -4.50 121.76 122.35 3iwk s ALA 42 Ca 0.06 0.74 0.01 0.00 0.00 0.00 0.00 51.96 52.77 3iwk s ALA 42 Cb -0.26 -3.29 -0.00 0.00 0.00 0.00 0.00 23.12 19.57 3iwk s ALA 42 CO 0.00 -0.23 0.02 0.25 0.00 0.00 0.00 175.76 175.81 3iwk n THR 43 N 0.12 0.00 -0.37 0.00 -2.24 -1.26 -3.61 114.28 106.91 3iwk n THR 43 Ca 0.04 -2.36 -0.04 0.00 -2.27 0.00 0.00 64.05 59.42 3iwk n THR 43 Cb 0.49 0.53 -0.00 0.00 -2.10 0.00 0.00 70.33 69.25 3iwk n THR 43 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3iwk n LYS 44 N -1.19 -0.28 0.25 -0.78 3.00 -1.26 -0.93 118.16 116.97 3iwk n LYS 44 Ca -0.18 1.43 0.10 0.00 -0.00 0.00 0.00 58.31 59.65 3iwk n LYS 44 Cb 0.63 -2.11 0.66 0.00 0.00 0.00 0.00 35.03 34.21 3iwk n LYS 44 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.40 178.45 3iwk h GLU 45 N 0.00 0.00 -0.03 1.64 9.09 -1.99 0.12 114.58 123.42 3iwk h GLU 45 Ca 0.27 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.64 3iwk h GLU 45 Cb 0.50 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.60 3iwk h GLU 45 CO -0.91 0.10 -0.14 -0.44 0.05 0.00 0.00 179.01 177.67 3iwk h ASP 46 N 0.00 0.17 -0.80 3.06 3.45 -1.43 -2.89 116.42 117.98 3iwk h ASP 46 Ca -0.00 -0.67 0.10 0.00 0.43 0.00 0.00 57.03 56.89 3iwk h ASP 46 Cb 0.21 -0.05 -0.08 0.00 -0.56 0.00 0.00 39.33 38.86 3iwk h ASP 46 CO 0.01 0.81 0.44 0.58 -1.57 0.00 0.00 179.24 179.51 3iwk h VAL 47 N -0.47 0.87 -0.70 -1.35 2.07 -0.63 -0.83 116.25 115.21 3iwk h VAL 47 Ca -0.01 -0.25 0.07 0.00 0.82 0.00 0.00 66.70 67.33 3iwk h VAL 47 Cb 0.81 0.09 -0.06 0.00 -1.52 0.00 0.00 31.29 30.61 3iwk h VAL 47 CO 0.03 0.13 0.38 0.44 0.02 0.00 0.00 177.57 178.57 3iwk h ASP 48 N 0.72 0.56 0.05 0.57 5.19 -0.85 -0.01 116.42 122.66 3iwk h ASP 48 Ca 0.39 0.04 -0.09 0.00 -0.62 0.00 0.00 57.03 56.75 3iwk h ASP 48 Cb 0.40 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 39.82 3iwk h ASP 48 CO -0.27 0.35 -0.28 -0.07 -3.12 0.00 0.00 179.24 175.86 3iwk h LEU 49 N 0.70 0.36 -0.19 1.55 3.38 -1.02 -1.78 115.31 118.30 3iwk h LEU 49 Ca 0.32 -0.12 -0.12 0.00 0.09 0.00 0.00 57.88 58.05 3iwk h LEU 49 Cb 0.23 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3iwk h LEU 49 CO -0.20 0.63 -0.36 0.00 0.09 0.00 0.00 178.44 178.60 3iwk h ALA 50 N 1.40 0.31 -0.44 1.53 0.00 -0.65 -2.41 119.26 119.00 3iwk h ALA 50 Ca 0.05 -0.44 -0.07 0.00 0.00 0.00 0.00 54.91 54.45 3iwk h ALA 50 Cb 0.65 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 3iwk h ALA 50 CO 0.05 0.38 -0.01 0.28 0.00 0.00 0.00 179.25 179.95 3iwk h VAL 51 N 0.26 1.26 -0.82 0.00 2.07 -0.93 -2.27 116.25 115.82 3iwk h VAL 51 Ca 0.01 -1.05 0.06 0.00 0.82 0.00 0.00 66.70 66.54 3iwk h VAL 51 Cb 0.96 1.07 -0.06 0.00 -1.52 0.00 0.00 31.29 31.74 3iwk h VAL 51 CO 0.08 0.36 0.50 0.44 0.02 0.00 0.00 177.57 178.98 3iwk h ASP 52 N 0.62 0.79 -0.50 0.57 5.19 -1.36 -0.07 116.42 121.66 3iwk h ASP 52 Ca 0.12 0.02 -0.05 0.00 -0.62 0.00 0.00 57.03 56.50 3iwk h ASP 52 Cb 0.50 -0.15 -0.02 0.00 0.18 0.00 0.00 39.33 39.85 3iwk h ASP 52 CO 0.02 0.51 0.10 0.00 -3.12 0.00 0.00 179.24 176.75 3iwk h ALA 53 N 1.39 0.67 -0.45 3.45 0.00 -1.26 -0.85 119.26 122.21 3iwk h ALA 53 Ca 0.36 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3iwk h ALA 53 Cb 0.17 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3iwk h ALA 53 CO -0.17 0.38 0.27 0.00 0.00 0.00 0.00 179.25 179.73 3iwk h ALA 54 N 0.98 0.57 -0.50 0.00 0.00 -1.03 -0.60 119.26 118.69 3iwk h ALA 54 Ca 0.16 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.02 3iwk h ALA 54 Cb 0.37 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3iwk h ALA 54 CO 0.01 0.07 0.30 0.87 0.00 0.00 0.00 179.25 180.49 3iwk h LYS 55 N 0.60 0.57 -0.26 0.00 1.79 -0.79 -2.30 116.57 116.18 3iwk h LYS 55 Ca 0.16 -0.03 -0.07 0.00 -2.18 0.00 0.00 60.65 58.53 3iwk h LYS 55 Cb 0.01 -0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 30.51 3iwk h LYS 55 CO -0.03 0.38 -0.14 0.00 -1.08 0.00 0.00 179.45 178.58 3iwk h ARG 56 N 0.59 0.44 0.00 3.15 3.08 -0.99 -2.92 114.38 117.73 3iwk h ARG 56 Ca 0.20 -0.13 -0.06 0.00 0.07 0.00 0.00 59.98 60.07 3iwk h ARG 56 Cb 0.03 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 3iwk h ARG 56 CO -0.10 0.58 -0.27 0.00 -1.07 0.00 0.00 179.97 179.12 3iwk h ALA 57 N 1.44 1.28 0.00 0.04 0.00 -0.55 0.99 119.26 122.46 3iwk h ALA 57 Ca 0.08 -0.24 -0.25 0.00 0.00 0.00 0.00 54.91 54.49 3iwk h ALA 57 Cb 0.50 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 3iwk h ALA 57 CO 0.03 0.33 -1.54 -0.84 0.00 0.00 0.00 179.25 177.23 3iwk h ILE 58 N 0.00 0.83 0.00 0.00 3.07 -1.33 -3.38 117.51 116.70 3iwk h ILE 58 Ca -0.00 -2.57 0.00 0.00 1.55 0.00 0.00 64.86 63.83 3iwk h ILE 58 Cb 0.58 2.36 0.00 0.00 -0.27 0.00 0.00 36.82 39.49 3iwk h ILE 58 CO 0.03 0.47 -1.15 -1.54 -1.05 0.00 0.00 178.15 174.92 3iwk n SER 59 N -3.04 0.72 -4.68 2.16 3.41 -1.12 -3.35 113.62 107.73 3iwk n SER 59 Ca -0.13 0.27 -0.54 0.00 -0.26 0.00 0.00 58.87 58.21 3iwk n SER 59 Cb 0.98 0.68 -0.06 0.00 -0.26 0.00 0.00 64.21 65.54 3iwk n SER 59 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3iwk n ARG 60 N -2.60 1.38 -3.83 4.33 0.63 0.33 -0.67 116.66 116.23 3iwk n ARG 60 Ca -0.01 0.50 -0.28 0.00 -0.92 0.00 0.00 57.85 57.15 3iwk n ARG 60 Cb 0.55 -2.21 0.04 0.00 0.45 0.00 0.00 32.46 31.28 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 4.96 -5.75 -3.56 -0.14 5.02 -1.26 -1.50 118.16 115.92 3iwk n LYS 61 Ca 0.24 0.64 -0.12 0.00 -2.02 0.00 0.00 58.31 57.04 3iwk n LYS 61 Cb 0.18 -5.49 -0.01 0.00 -0.02 0.00 0.00 35.03 29.69 3iwk n LYS 61 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 3iwk n ASN 62 N -2.90 -0.68 0.00 4.39 0.23 0.15 -2.68 115.26 113.77 3iwk n ASN 62 Ca -0.03 -0.37 0.00 0.00 -0.53 0.00 0.00 54.58 53.65 3iwk n ASN 62 Cb 0.56 -0.44 0.00 0.00 -2.08 0.00 0.00 39.78 37.82 3iwk n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3iwk n GLY 63 N -1.32 1.48 0.26 4.83 0.00 -0.56 -4.74 105.19 105.14 3iwk n GLY 63 Ca -0.05 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.11 3iwk n GLY 63 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3iwk h ARG 64 N 3.05 0.00 0.00 1.61 3.08 -1.66 0.62 114.38 121.08 3iwk h ARG 64 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 3iwk h ARG 64 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 3iwk h ARG 64 CO 0.00 0.11 -0.09 -0.44 -1.07 0.00 0.00 179.97 178.49 3iwk h ASP 65 N 0.00 0.00 0.00 7.04 3.32 -1.83 -3.39 116.42 121.56 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 0.47 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.02 3iwk h ASP 65 CO 0.01 0.08 0.00 1.87 -1.72 0.00 0.00 179.24 179.48 3iwk n TRP 66 N -3.12 -1.26 0.13 4.55 -0.00 -0.71 -4.92 117.44 112.11 3iwk n TRP 66 Ca 0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 57.50 57.52 3iwk n TRP 66 Cb 0.56 0.38 0.20 0.00 -0.00 0.00 0.00 31.31 32.46 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 0.07 -0.20 5.87 4.64 -1.48 -2.76 113.55 119.69 3iwk h SER 67 Ca 0.00 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3iwk h SER 67 Cb 0.00 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 3iwk h SER 67 CO 0.00 0.61 0.00 0.00 -0.87 0.00 0.00 176.83 176.57 3iwk n ALA 68 N -2.44 2.40 -1.59 5.18 0.00 0.21 -4.77 120.51 119.50 3iwk n ALA 68 Ca -0.02 -0.84 -0.31 0.00 0.00 0.00 0.00 53.44 52.28 3iwk n ALA 68 Cb 0.57 -0.62 0.06 0.00 0.00 0.00 0.00 19.45 19.46 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 -1.29 2.62 0.47 0.00 0.00 -1.04 -4.78 121.76 117.74 3iwk s ALA 69 Ca 0.26 0.00 -0.24 0.00 0.00 0.00 0.00 51.96 51.98 3iwk s ALA 69 Cb 0.16 -3.15 -0.08 0.00 0.00 0.00 0.00 23.12 20.04 3iwk s ALA 69 CO 0.23 -1.29 1.18 0.45 0.00 0.00 0.00 175.76 176.32 3iwk n SER 70 N -3.17 2.01 0.30 0.00 2.88 -1.26 -4.89 113.62 109.49 3iwk n SER 70 Ca 0.07 1.03 0.17 0.00 -1.33 0.00 0.00 58.87 58.81 3iwk n SER 70 Cb 0.54 -1.46 0.95 0.00 -0.75 0.00 0.00 64.21 63.49 3iwk n SER 70 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 3iwk h GLY 71 N 1.62 0.00 2.00 0.46 0.00 -1.92 -2.07 103.07 103.15 3iwk h GLY 71 Ca -0.48 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 46.76 3iwk h GLY 71 CO 0.57 0.00 -0.43 1.48 0.00 0.00 0.00 176.54 178.16 3iwk h SER 72 N 0.00 0.00 -0.18 0.19 4.64 -1.84 -0.63 113.55 115.74 3iwk h SER 72 Ca -0.00 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.24 3iwk h SER 72 Cb 0.12 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.20 3iwk h SER 72 CO 0.00 0.43 -0.21 0.25 -0.87 0.00 0.00 176.83 176.44 3iwk h LEU 73 N 0.00 0.49 -1.02 5.97 5.85 -1.74 -2.69 115.31 122.18 3iwk h LEU 73 Ca -0.00 -0.50 -0.01 0.00 0.84 0.00 0.00 57.88 58.21 3iwk h LEU 73 Cb 0.84 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.69 3iwk h LEU 73 CO 0.06 0.89 0.48 0.03 -0.34 0.00 0.00 178.44 179.56 3iwk h ARG 74 N 0.11 1.16 -0.82 1.25 3.08 -1.49 -2.88 114.38 114.79 3iwk h ARG 74 Ca 0.02 -0.12 0.11 0.00 0.07 0.00 0.00 59.98 60.06 3iwk h ARG 74 Cb 0.77 -0.23 -0.08 0.00 0.08 0.00 0.00 29.97 30.50 3iwk h ARG 74 CO 0.05 0.84 0.45 0.00 -1.07 0.00 0.00 179.97 180.24 3iwk h ALA 75 N 1.35 1.17 -0.90 0.04 0.00 -1.02 -1.92 119.26 117.99 3iwk h ALA 75 Ca 0.30 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.27 3iwk h ALA 75 Cb -0.00 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 3iwk h ALA 75 CO -0.05 0.04 0.59 0.00 0.00 0.00 0.00 179.25 179.83 3iwk h ARG 76 N 0.73 1.16 -0.33 0.00 3.08 -1.25 -0.07 114.38 117.70 3iwk h ARG 76 Ca 0.41 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 60.34 3iwk h ARG 76 Cb 0.42 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 3iwk h ARG 76 CO -0.27 0.77 0.03 1.88 -1.07 0.00 0.00 179.97 181.30 3iwk h TYR 77 N 1.19 0.60 -0.82 3.04 0.05 -1.43 -1.09 116.97 118.52 3iwk h TYR 77 Ca 0.34 -0.09 -0.02 0.00 0.05 0.00 0.00 58.73 59.01 3iwk h TYR 77 Cb -0.09 -0.16 -0.04 0.00 1.01 0.00 0.00 36.73 37.45 3iwk h TYR 77 CO -0.01 0.65 0.44 -0.07 -1.05 0.00 0.00 178.16 178.12 3iwk h LEU 78 N 0.37 1.03 -0.56 3.88 3.38 -0.98 0.54 115.31 122.98 3iwk h LEU 78 Ca 0.10 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 3iwk h LEU 78 Cb 0.39 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 3iwk h LEU 78 CO 0.01 0.84 0.02 0.03 0.09 0.00 0.00 178.44 179.43 3iwk h ARG 79 N 1.14 0.97 -0.49 1.13 3.08 -0.98 -1.40 114.38 117.84 3iwk h ARG 79 Ca 0.29 -0.30 -0.09 0.00 0.07 0.00 0.00 59.98 59.95 3iwk h ARG 79 Cb 0.05 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 3iwk h ARG 79 CO -0.04 0.97 -0.04 0.00 -1.07 0.00 0.00 179.97 179.78 3iwk h ALA 80 N 0.97 1.01 -0.31 0.04 0.00 -0.80 -1.18 119.26 118.98 3iwk h ALA 80 Ca 0.16 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 3iwk h ALA 80 Cb 0.52 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3iwk h ALA 80 CO 0.03 0.60 0.10 0.82 0.00 0.00 0.00 179.25 180.79 3iwk h ILE 81 N 0.77 1.21 -0.54 0.00 2.04 -0.82 -2.02 117.51 118.14 3iwk h ILE 81 Ca 0.14 -0.67 0.04 0.00 1.00 0.00 0.00 64.86 65.37 3iwk h ILE 81 Cb 0.53 1.05 -0.04 0.00 -0.74 0.00 0.00 36.82 37.62 3iwk h ILE 81 CO 0.03 0.22 0.30 0.00 0.00 0.00 0.00 178.15 178.71 3iwk h ALA 82 N 0.93 0.70 -0.42 1.87 0.00 -0.96 -0.98 119.26 120.40 3iwk h ALA 82 Ca 0.10 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 3iwk h ALA 82 Cb 0.25 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3iwk h ALA 82 CO -0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 179.25 179.11 3iwk h ALA 83 N 1.27 0.99 -0.13 0.00 0.00 -1.16 -0.69 119.26 119.55 3iwk h ALA 83 Ca 0.23 -0.32 -0.15 0.00 0.00 0.00 0.00 54.91 54.66 3iwk h ALA 83 Cb 0.09 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3iwk h ALA 83 CO -0.13 0.60 -0.58 -0.22 0.00 0.00 0.00 179.25 178.92 3iwk h LYS 84 N 0.68 0.41 -0.40 0.00 1.63 -0.98 -1.99 116.57 115.92 3iwk h LYS 84 Ca 0.11 -0.27 -0.09 0.00 -0.85 0.00 0.00 60.65 59.56 3iwk h LYS 84 Cb 0.60 0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.26 3iwk h LYS 84 CO 0.04 0.87 -0.10 0.82 -3.45 0.00 0.00 179.45 177.63 3iwk h ILE 85 N 0.31 1.28 -0.98 2.00 2.04 -0.92 -3.10 117.51 118.12 3iwk h ILE 85 Ca -0.00 -1.20 0.05 0.00 1.00 0.00 0.00 64.86 64.71 3iwk h ILE 85 Cb 1.10 1.23 -0.06 0.00 -0.74 0.00 0.00 36.82 38.36 3iwk h ILE 85 CO 0.10 0.40 0.64 0.50 0.00 0.00 0.00 178.15 179.79 3iwk h LYS 86 N 0.58 1.17 -0.71 2.37 3.64 -0.99 -1.79 116.57 120.84 3iwk h LYS 86 Ca 0.10 -0.07 0.12 0.00 -1.27 0.00 0.00 60.65 59.53 3iwk h LYS 86 Cb 0.63 -0.26 -0.05 0.00 -0.41 0.00 0.00 32.23 32.14 3iwk h LYS 86 CO 0.04 0.78 0.47 0.93 -2.27 0.00 0.00 179.45 179.40 3iwk h GLU 87 N 1.21 0.46 0.00 1.90 5.08 -1.28 -3.02 114.58 118.93 3iwk h GLU 87 Ca 0.40 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.72 3iwk h GLU 87 Cb 0.07 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.18 3iwk h GLU 87 CO -0.14 0.31 -0.50 0.36 -1.00 0.00 0.00 179.01 178.04 3iwk n LYS 88 N -4.48 1.37 -0.26 2.33 2.85 -0.85 -4.82 118.16 114.29 3iwk n LYS 88 Ca 0.13 -3.06 0.03 0.00 -1.05 0.00 0.00 58.31 54.36 3iwk n LYS 88 Cb 0.44 -1.42 0.12 0.00 -0.65 0.00 0.00 35.03 33.52 3iwk n LYS 88 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 177.40 177.13 3iwk h LYS 89 N 0.87 0.04 -0.30 -1.58 3.64 -1.21 -0.23 116.57 117.80 3iwk h LYS 89 Ca -0.02 -0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.28 3iwk h LYS 89 Cb 1.10 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.90 3iwk h LYS 89 CO 0.01 0.03 -0.09 -0.44 -2.27 0.00 0.00 179.45 176.69 3iwk h ASP 90 N 0.04 0.60 -0.17 4.20 3.32 -1.87 0.19 116.42 122.73 3iwk h ASP 90 Ca 0.39 -0.38 0.01 0.00 0.02 0.00 0.00 57.03 57.07 3iwk h ASP 90 Cb 0.65 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 3iwk h ASP 90 CO -0.72 0.84 0.07 -0.08 -1.72 0.00 0.00 179.24 177.64 3iwk h GLU 91 N 0.36 0.16 -0.20 3.56 4.81 -1.79 -2.20 114.58 119.28 3iwk h GLU 91 Ca 0.07 -0.01 -0.17 0.00 -0.13 0.00 0.00 59.36 59.12 3iwk h GLU 91 Cb 0.59 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.93 3iwk h GLU 91 CO 0.03 0.11 -0.58 -0.07 -0.73 0.00 0.00 179.01 177.77 3iwk h LEU 92 N 0.17 0.73 -0.43 1.64 3.38 -1.01 -2.55 115.31 117.22 3iwk h LEU 92 Ca 0.07 -0.40 0.07 0.00 0.09 0.00 0.00 57.88 57.71 3iwk h LEU 92 Cb 0.02 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.50 3iwk h LEU 92 CO -0.05 1.15 0.08 1.23 0.09 0.00 0.00 178.44 180.93 3iwk h GLY 93 N 0.95 0.51 1.41 0.83 0.00 -0.48 0.23 103.07 106.52 3iwk h GLY 93 Ca 0.00 -0.02 -0.17 0.00 0.00 0.00 0.00 47.33 47.14 3iwk h GLY 93 CO 0.11 -0.05 -0.58 0.07 0.00 0.00 0.00 176.54 176.09 3iwk h LYS 94 N 0.21 0.61 -0.50 4.80 2.10 -1.35 0.04 116.57 122.48 3iwk h LYS 94 Ca 0.21 -0.40 0.01 0.00 -2.00 0.00 0.00 60.65 58.47 3iwk h LYS 94 Cb 0.27 0.05 -0.03 0.00 -0.90 0.00 0.00 32.23 31.62 3iwk h LYS 94 CO -0.28 1.02 0.32 -0.07 -2.00 0.00 0.00 179.45 178.44 3iwk h LEU 95 N 0.46 0.54 -0.29 7.07 3.38 -1.05 0.14 115.31 125.56 3iwk h LEU 95 Ca 0.00 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.98 3iwk h LEU 95 Cb 1.14 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 3iwk h LEU 95 CO 0.11 0.39 0.15 -0.08 0.09 0.00 0.00 178.44 179.11 3iwk h GLU 96 N 0.65 0.31 -0.25 1.13 4.57 -0.33 0.90 114.58 121.56 3iwk h GLU 96 Ca 0.19 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.33 3iwk h GLU 96 Cb -0.05 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 28.46 3iwk h GLU 96 CO -0.06 0.21 0.10 1.03 -1.18 0.00 0.00 179.01 179.11 3iwk h SER 97 N 0.32 0.35 -0.56 1.04 0.87 -0.60 -1.63 113.55 113.34 3iwk h SER 97 Ca 0.12 -0.17 -0.02 0.00 -1.23 0.00 0.00 61.79 60.48 3iwk h SER 97 Cb 0.02 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 61.86 3iwk h SER 97 CO -0.07 0.43 0.27 0.40 -0.53 0.00 0.00 176.83 177.33 3iwk h ILE 98 N 0.25 1.20 -0.16 2.23 2.04 -0.65 0.43 117.51 122.86 3iwk h ILE 98 Ca 0.08 -0.59 -0.17 0.00 1.00 0.00 0.00 64.86 65.18 3iwk h ILE 98 Cb 0.19 0.45 0.01 0.00 -0.74 0.00 0.00 36.82 36.73 3iwk h ILE 98 CO -0.01 0.24 -0.58 -0.78 0.00 0.00 0.00 178.15 177.03 3iwk h ASP 99 N 0.84 0.78 0.00 1.72 3.58 -0.37 -3.38 116.42 119.59 3iwk h ASP 99 Ca 0.21 -0.61 0.00 0.00 0.42 0.00 0.00 57.03 57.05 3iwk h ASP 99 Cb 0.11 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 40.94 3iwk h ASP 99 CO -0.02 1.25 -0.51 0.00 -2.88 0.00 0.00 179.24 177.08 3iwk n GLY 101 N 1.42 0.71 3.81 0.00 0.00 0.14 -4.38 105.19 106.89 3iwk n GLY 101 Ca 0.00 -0.22 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.69 4.30 0.46 1.61 -2.85 -1.24 -3.49 119.74 117.84 3iwk s LYS 102 Ca 0.00 1.02 -0.22 0.00 -1.00 0.00 0.00 55.97 55.77 3iwk s LYS 102 Cb 0.00 -2.63 -0.10 0.00 -2.06 0.00 0.00 37.83 33.04 3iwk s LYS 102 CO 0.00 0.23 0.85 -2.30 0.10 0.00 0.00 175.35 174.23 3iwk n PRO 103 N 0.19 1.03 -0.19 1.78 -0.02 -1.26 -4.60 135.00 131.92 3iwk n PRO 103 Ca 0.02 0.38 0.02 0.00 -2.02 0.00 0.00 63.50 61.90 3iwk n PRO 103 Cb 0.52 -1.90 0.29 0.00 -0.02 0.00 0.00 33.50 32.38 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 1.10 0.78 -1.23 2.45 5.85 -1.47 -1.32 115.31 121.47 3iwk h LEU 104 Ca -0.44 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.22 3iwk h LEU 104 Cb 1.36 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.18 3iwk h LEU 104 CO 0.54 0.55 0.00 -0.33 -0.34 0.00 0.00 178.44 178.87 3iwk h GLU 105 N 0.92 0.52 -0.32 1.25 5.08 -1.87 -0.35 114.58 119.80 3iwk h GLU 105 Ca 0.27 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 58.48 3iwk h GLU 105 Cb -0.02 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 3iwk h GLU 105 CO -0.07 0.55 0.04 0.93 -1.00 0.00 0.00 179.01 179.46 3iwk h GLU 106 N 0.50 0.54 -0.80 2.33 5.08 -1.61 -2.42 114.58 118.21 3iwk h GLU 106 Ca 0.11 -0.15 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 3iwk h GLU 106 Cb 0.32 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.48 3iwk h GLU 106 CO 0.01 0.64 0.34 0.00 -1.00 0.00 0.00 179.01 179.00 3iwk h ALA 107 N 0.88 1.09 -0.45 3.43 0.00 -0.80 -0.96 119.26 122.44 3iwk h ALA 107 Ca 0.10 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 3iwk h ALA 107 Cb 0.37 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3iwk h ALA 107 CO 0.01 0.66 -0.07 -0.07 0.00 0.00 0.00 179.25 179.78 3iwk h LEU 108 N 1.15 0.78 -0.73 0.00 3.38 -1.07 -2.17 115.31 116.64 3iwk h LEU 108 Ca 0.27 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 3iwk h LEU 108 Cb 0.19 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 3iwk h LEU 108 CO -0.03 0.89 0.12 0.00 0.09 0.00 0.00 178.44 179.51 3iwk h ALA 109 N 1.19 0.95 -0.79 1.53 0.00 -0.99 -2.27 119.26 118.88 3iwk h ALA 109 Ca 0.13 -0.26 0.06 0.00 0.00 0.00 0.00 54.91 54.83 3iwk h ALA 109 Cb 0.54 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 3iwk h ALA 109 CO 0.03 0.66 0.48 -0.44 0.00 0.00 0.00 179.25 179.98 3iwk h ASP 110 N 1.02 0.75 -0.56 0.00 3.45 -0.81 -2.28 116.42 117.99 3iwk h ASP 110 Ca 0.20 0.02 -0.11 0.00 0.43 0.00 0.00 57.03 57.57 3iwk h ASP 110 Cb 0.42 -0.14 -0.02 0.00 -0.56 0.00 0.00 39.33 39.03 3iwk h ASP 110 CO 0.01 0.48 -0.09 -0.07 -1.57 0.00 0.00 179.24 178.00 3iwk h LEU 111 N 0.88 1.05 -1.05 1.55 4.07 -1.11 0.21 115.31 120.92 3iwk h LEU 111 Ca 0.35 -0.34 0.06 0.00 0.08 0.00 0.00 57.88 58.02 3iwk h LEU 111 Cb 0.16 -0.29 -0.06 0.00 1.08 0.00 0.00 40.66 41.55 3iwk h LEU 111 CO -0.17 1.15 0.64 0.44 -1.08 0.00 0.00 178.44 179.42 3iwk h ASP 112 N 0.94 1.02 0.72 -0.43 3.45 -1.21 -1.43 116.42 119.48 3iwk h ASP 112 Ca 0.15 0.00 -0.14 0.00 0.43 0.00 0.00 57.03 57.47 3iwk h ASP 112 Cb 0.67 -0.22 -0.02 0.00 -0.56 0.00 0.00 39.33 39.20 3iwk h ASP 112 CO 0.05 0.67 -0.68 0.44 -1.57 0.00 0.00 179.24 178.14 3iwk h ASP 113 N 1.17 0.00 -0.40 6.45 3.32 -0.81 -1.48 116.42 124.67 3iwk h ASP 113 Ca 0.41 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.43 3iwk h ASP 113 Cb 0.13 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 3iwk h ASP 113 CO -0.15 0.68 0.11 0.58 -1.72 0.00 0.00 179.24 178.73 3iwk h VAL 114 N 0.00 1.22 0.00 -1.35 2.07 -0.09 -0.41 116.25 117.69 3iwk h VAL 114 Ca -0.01 -0.75 -0.00 0.00 0.82 0.00 0.00 66.70 66.76 3iwk h VAL 114 Cb 1.23 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 31.96 3iwk h VAL 114 CO 0.09 0.26 -0.00 0.58 0.02 0.00 0.00 177.57 178.52 3iwk h VAL 115 N 0.50 1.16 -0.21 2.57 2.07 -1.18 -2.19 116.25 118.97 3iwk h VAL 115 Ca 0.13 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 3iwk h VAL 115 Cb 0.29 1.50 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 3iwk h VAL 115 CO -0.00 0.13 0.07 0.00 0.02 0.00 0.00 177.57 177.79 3iwk h ALA 116 N 0.79 1.75 -0.07 1.67 0.00 -1.26 -1.78 119.26 120.34 3iwk h ALA 116 Ca -0.00 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 3iwk h ALA 116 Cb 0.21 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3iwk h ALA 116 CO 0.00 0.20 -0.15 0.00 0.00 0.00 0.00 179.25 179.31 3iwk h PHE 118 N -0.25 0.87 -0.64 0.00 0.04 -1.28 -2.33 116.94 113.36 3iwk h PHE 118 Ca 0.00 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.78 3iwk h PHE 118 Cb 0.73 -0.29 -0.03 0.00 2.20 0.00 0.00 35.95 38.57 3iwk h PHE 118 CO 0.11 0.49 0.32 0.93 -0.60 0.00 0.00 178.31 179.57 3iwk h GLU 119 N 0.91 0.90 -0.26 1.51 5.08 -1.24 -0.31 114.58 121.16 3iwk h GLU 119 Ca 0.30 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 3iwk h GLU 119 Cb 0.03 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 3iwk h GLU 119 CO -0.12 0.71 0.13 -0.92 -1.00 0.00 0.00 179.01 177.81 3iwk h TYR 120 N 0.87 0.38 0.00 4.33 3.20 -0.78 -2.11 116.97 122.85 3iwk h TYR 120 Ca 0.22 -0.02 -0.13 0.00 3.14 0.00 0.00 58.73 61.95 3iwk h TYR 120 Cb 0.09 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.22 3iwk h TYR 120 CO -0.00 0.34 -0.62 1.88 -1.64 0.00 0.00 178.16 178.12 3iwk h TYR 121 N 0.30 0.00 -0.22 -3.82 -1.99 -1.32 -2.08 116.97 107.84 3iwk h TYR 121 Ca 0.09 0.00 0.05 0.00 2.00 0.00 0.00 58.73 60.87 3iwk h TYR 121 Cb 0.10 0.00 -0.05 0.00 2.00 0.00 0.00 36.73 38.78 3iwk h TYR 121 CO -0.02 0.62 -0.12 0.00 -0.00 0.00 0.00 178.16 178.64 3iwk h ALA 122 N 1.38 0.06 -0.92 3.88 0.00 -0.87 0.18 119.26 122.98 3iwk h ALA 122 Ca -0.01 0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.06 3iwk h ALA 122 Cb 1.14 0.28 -0.07 0.00 0.00 0.00 0.00 17.79 19.14 3iwk h ALA 122 CO 0.08 -0.53 0.58 0.78 0.00 0.00 0.00 179.25 180.16 3iwk h GLY 123 N -0.09 1.41 1.58 0.00 0.00 -1.11 -2.04 103.07 102.82 3iwk h GLY 123 Ca 0.12 -0.42 -0.15 0.00 0.00 0.00 0.00 47.33 46.89 3iwk h GLY 123 CO -0.28 0.27 -0.53 -2.00 0.00 0.00 0.00 176.54 174.00 3iwk h LEU 124 N 1.04 0.48 -0.65 3.11 5.85 -0.82 -2.91 115.31 121.41 3iwk h LEU 124 Ca 0.41 -0.25 -0.04 0.00 0.84 0.00 0.00 57.88 58.84 3iwk h LEU 124 Cb 0.21 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 3iwk h LEU 124 CO -0.19 0.92 0.27 0.00 -0.34 0.00 0.00 178.44 179.10 3iwk h ALA 125 N 1.09 0.85 0.00 1.25 0.00 -0.24 -2.65 119.26 119.56 3iwk h ALA 125 Ca 0.01 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3iwk h ALA 125 Cb 1.04 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3iwk h ALA 125 CO 0.09 0.46 0.00 -0.85 0.00 0.00 0.00 179.25 178.96 3iwk n GLU 126 N -4.42 0.21 0.02 0.00 0.28 -0.81 -1.92 120.64 114.01 3iwk n GLU 126 Ca 0.05 0.34 0.12 0.00 -0.16 0.00 0.00 57.16 57.50 3iwk n GLU 126 Cb 0.17 -1.83 0.12 0.00 1.43 0.00 0.00 31.44 31.33 3iwk n GLU 126 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 3iwk n GLU 127 N -2.20 0.17 -0.27 3.44 1.02 -1.10 -4.56 120.64 117.15 3iwk n GLU 127 Ca 0.03 0.02 -0.03 0.00 -0.02 0.00 0.00 57.16 57.16 3iwk n GLU 127 Cb 0.30 -1.58 0.08 0.00 -0.02 0.00 0.00 31.44 30.22 3iwk n GLU 127 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3iwk h LEU 128 N 0.00 0.78 -0.63 -4.62 6.46 -1.03 -2.84 115.31 113.43 3iwk h LEU 128 Ca 0.00 -0.00 0.07 0.00 -0.12 0.00 0.00 57.88 57.83 3iwk h LEU 128 Cb 0.64 -0.18 -0.06 0.00 -0.73 0.00 0.00 40.66 40.33 3iwk h LEU 128 CO 0.00 0.55 0.30 0.44 -0.62 0.00 0.00 178.44 179.11 3iwk h ASP 129 N 0.93 0.40 0.09 1.25 5.19 -1.80 -1.46 116.42 121.01 3iwk h ASP 129 Ca 0.29 0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.75 3iwk h ASP 129 Cb -0.00 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.49 3iwk h ASP 129 CO -0.10 0.25 0.00 0.77 -3.12 0.00 0.00 179.24 177.03 3iwk h SER 130 N 0.54 0.00 0.16 6.45 4.64 -1.81 -1.41 113.55 122.13 3iwk h SER 130 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 3iwk h SER 130 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 3iwk h SER 130 CO -0.23 0.00 -0.39 0.29 -0.87 0.00 0.00 176.83 175.63 3iwk n LYS 131 N -3.08 0.84 -2.48 4.77 5.02 -0.56 -4.90 118.16 117.77 3iwk n LYS 131 Ca -0.03 -0.58 -0.37 0.00 -2.02 0.00 0.00 58.31 55.31 3iwk n LYS 131 Cb 0.09 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.58 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 -2.56 4.15 -1.28 1.97 -1.52 -0.53 -3.70 119.66 116.18 3iwk s GLN 132 Ca 0.20 1.60 0.00 0.00 -1.95 0.00 0.00 55.36 55.22 3iwk s GLN 132 Cb 0.19 -2.60 0.00 0.00 -0.22 0.00 0.00 33.01 30.38 3iwk s GLN 132 CO 0.57 -0.18 0.00 1.63 -0.25 0.00 0.00 175.29 177.06 3iwk n LYS 133 N 0.00 -1.11 -1.67 2.91 5.02 -0.18 -4.95 118.16 118.18 3iwk n LYS 133 Ca 0.05 0.75 -0.45 0.00 -2.02 0.00 0.00 58.31 56.64 3iwk n LYS 133 Cb 0.49 -5.01 -0.04 0.00 -0.02 0.00 0.00 35.03 30.45 3iwk n LYS 133 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3iwk n ALA 134 N -1.12 1.31 -1.77 7.82 0.00 -1.20 -4.64 120.51 120.91 3iwk n ALA 134 Ca -0.16 0.25 -0.39 0.00 0.00 0.00 0.00 53.44 53.14 3iwk n ALA 134 Cb 0.60 -2.59 -0.04 0.00 0.00 0.00 0.00 19.45 17.42 3iwk n ALA 134 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3iwk s PRO 135 N 4.13 4.43 -0.21 0.00 0.04 -1.26 -1.70 135.00 140.43 3iwk s PRO 135 Ca 0.90 1.80 -0.06 0.00 0.04 0.00 0.00 61.00 63.68 3iwk s PRO 135 Cb -0.55 -2.98 -0.03 0.00 0.04 0.00 0.00 34.50 30.98 3iwk s PRO 135 CO 0.46 0.02 0.03 0.42 0.04 0.00 0.00 177.00 177.96 3iwk s ILE 136 N -1.29 4.17 0.05 0.56 1.09 -0.20 -4.94 121.20 120.63 3iwk s ILE 136 Ca 0.49 -0.24 -0.31 0.00 -1.10 0.00 0.00 60.65 59.50 3iwk s ILE 136 Cb -0.31 -2.90 -0.07 0.00 -1.06 0.00 0.00 42.46 38.13 3iwk s ILE 136 CO 0.40 0.41 1.42 -0.55 -0.10 0.00 0.00 174.94 176.52 3iwk s SER 137 N 1.02 6.82 0.02 3.58 0.15 -1.26 -4.24 113.70 119.79 3iwk s SER 137 Ca 0.03 2.22 0.04 0.00 0.70 0.00 0.00 55.95 58.93 3iwk s SER 137 Cb -0.14 -2.57 -0.03 0.00 -1.71 0.00 0.00 66.02 61.56 3iwk s SER 137 CO 0.02 -0.71 -0.08 -0.76 1.20 0.00 0.00 173.24 172.92 3iwk s LEU 138 N 1.96 3.12 0.35 3.45 1.02 -1.26 -5.02 118.68 122.29 3iwk s LEU 138 Ca 0.65 -0.19 0.27 0.00 0.02 0.00 0.00 54.13 54.88 3iwk s LEU 138 Cb -0.34 -1.81 0.91 0.00 0.02 0.00 0.00 46.19 44.98 3iwk s LEU 138 CO 0.28 0.27 1.78 -0.65 0.02 0.00 0.00 176.35 178.05 3iwk h PRO 139 N 4.42 0.00 -5.80 1.29 0.11 -1.95 -3.43 132.00 126.63 3iwk h PRO 139 Ca -0.48 0.00 -0.67 0.00 0.11 0.00 0.00 66.00 64.96 3iwk h PRO 139 Cb 1.17 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.17 3iwk h PRO 139 CO 0.53 0.00 -0.54 -1.64 -0.21 0.00 0.00 178.00 176.14 3iwk s MET 140 N -3.32 3.23 0.00 1.05 -1.94 -1.26 -5.00 119.30 112.05 3iwk s MET 140 Ca 0.06 -0.27 0.28 0.00 -1.71 0.00 0.00 55.69 54.04 3iwk s MET 140 Cb 0.09 -3.00 1.04 0.00 2.01 0.00 0.00 34.83 34.97 3iwk s MET 140 CO 0.53 0.74 1.74 -0.40 -0.01 0.00 0.00 175.02 177.62 3iwk n ASP 141 N 1.96 1.51 -0.01 3.03 5.75 -1.26 -3.95 116.55 123.57 3iwk n ASP 141 Ca -0.19 -1.50 0.12 0.00 -0.01 0.00 0.00 54.79 53.21 3iwk n ASP 141 Cb 0.54 -0.00 0.24 0.00 -1.03 0.00 0.00 41.12 40.87 3iwk n ASP 141 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 3iwk n THR 142 N 0.18 0.00 -4.24 2.12 -2.24 -1.26 -4.84 114.28 104.00 3iwk n THR 142 Ca 0.19 -0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.75 3iwk n THR 142 Cb 0.36 0.29 -0.12 0.00 -2.10 0.00 0.00 70.33 68.75 3iwk n THR 142 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3iwk s PHE 143 N -2.99 1.56 0.05 4.78 0.40 -1.25 0.65 117.98 121.17 3iwk s PHE 143 Ca 0.11 -0.44 0.03 0.00 -0.60 0.00 0.00 56.93 56.03 3iwk s PHE 143 Cb 0.17 -0.86 -0.02 0.00 0.51 0.00 0.00 43.02 42.83 3iwk s PHE 143 CO 0.70 0.15 -0.09 -1.59 0.70 0.00 0.00 175.22 175.09 3iwk s LYS 144 N -1.92 0.60 0.00 0.44 -2.85 -0.19 -4.86 119.74 110.96 3iwk s LYS 144 Ca 0.04 -0.77 0.02 0.00 -1.00 0.00 0.00 55.97 54.25 3iwk s LYS 144 Cb -0.10 -0.44 -0.01 0.00 -2.06 0.00 0.00 37.83 35.23 3iwk s LYS 144 CO 0.04 0.09 -0.06 0.45 0.10 0.00 0.00 175.35 175.96 3iwk s SER 145 N -1.53 0.69 0.28 0.03 0.15 -1.26 -0.50 113.70 111.57 3iwk s SER 145 Ca -0.07 -0.15 0.00 0.00 0.70 0.00 0.00 55.95 56.43 3iwk s SER 145 Cb -0.10 -0.06 -0.02 0.00 -1.71 0.00 0.00 66.02 64.13 3iwk s SER 145 CO 0.01 0.04 0.29 -0.72 1.20 0.00 0.00 173.24 174.06 3iwk s TYR 146 N -0.27 1.25 0.09 3.44 -0.85 -0.41 -1.03 117.35 119.56 3iwk s TYR 146 Ca 0.01 -1.38 0.09 0.00 -0.52 0.00 0.00 57.07 55.27 3iwk s TYR 146 Cb -0.03 -0.42 -0.03 0.00 0.38 0.00 0.00 41.96 41.85 3iwk s TYR 146 CO -0.00 -0.86 -0.25 0.96 -1.52 0.00 0.00 175.55 173.88 3iwk s ILE 147 N -3.67 2.03 -0.01 -3.49 -5.25 -0.69 -0.91 121.20 109.20 3iwk s ILE 147 Ca 0.36 -1.55 0.05 0.00 -0.99 0.00 0.00 60.65 58.52 3iwk s ILE 147 Cb 0.03 -1.78 -0.03 0.00 2.95 0.00 0.00 42.46 43.63 3iwk s ILE 147 CO 0.19 0.13 -0.15 -0.76 -1.79 0.00 0.00 174.94 172.56 3iwk s LEU 148 N -1.72 2.72 -0.34 0.37 1.43 0.08 -1.01 118.68 120.21 3iwk s LEU 148 Ca 0.11 -0.27 -0.09 0.00 -1.03 0.00 0.00 54.13 52.85 3iwk s LEU 148 Cb -0.10 -1.57 0.02 0.00 0.03 0.00 0.00 46.19 44.57 3iwk s LEU 148 CO 0.04 0.31 0.15 -0.54 0.23 0.00 0.00 176.35 176.54 3iwk s LYS 149 N -1.04 2.88 0.20 1.70 1.02 -1.26 -0.75 119.74 122.49 3iwk s LYS 149 Ca 0.13 -1.02 0.09 0.00 0.02 0.00 0.00 55.97 55.19 3iwk s LYS 149 Cb -0.11 -3.58 -0.04 0.00 -0.52 0.00 0.00 37.83 33.58 3iwk s LYS 149 CO 0.03 -0.61 -0.10 -1.21 -0.92 0.00 0.00 175.35 172.53 3iwk s GLU 150 N 1.51 2.02 0.39 1.68 2.02 -0.68 -4.92 118.70 120.71 3iwk s GLU 150 Ca 0.01 -1.34 -0.27 0.00 0.02 0.00 0.00 54.97 53.39 3iwk s GLU 150 Cb -0.19 -2.11 -0.10 0.00 0.10 0.00 0.00 34.13 31.83 3iwk s GLU 150 CO 0.05 0.42 1.45 -1.25 0.02 0.00 0.00 175.26 175.94 3iwk s PRO 151 N -2.96 4.03 0.48 0.39 0.04 -1.25 0.32 135.00 136.05 3iwk s PRO 151 Ca 0.26 2.49 0.20 0.00 0.04 0.00 0.00 61.00 63.99 3iwk s PRO 151 Cb -0.08 -2.90 1.22 0.00 0.04 0.00 0.00 34.50 32.78 3iwk s PRO 151 CO 0.15 -0.56 2.04 0.97 0.04 0.00 0.00 177.00 179.64 3iwk h ILE 152 N 2.81 0.88 0.00 0.56 6.09 -1.38 -3.41 117.51 123.06 3iwk h ILE 152 Ca -0.51 -0.56 0.00 0.00 -1.37 0.00 0.00 64.86 62.42 3iwk h ILE 152 Cb 1.24 1.32 0.00 0.00 0.47 0.00 0.00 36.82 39.86 3iwk h ILE 152 CO 0.63 0.15 0.00 0.61 -3.07 0.00 0.00 178.15 176.47 3iwk n GLY 153 N -0.90 0.43 3.65 8.18 0.00 -1.26 -4.86 105.19 110.43 3iwk n GLY 153 Ca -0.02 -1.00 -0.38 0.00 0.00 0.00 0.00 46.02 44.61 3iwk n GLY 153 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iwk s VAL 154 N 0.00 5.23 -0.08 1.61 1.01 -1.26 -2.36 120.40 124.56 3iwk s VAL 154 Ca 0.00 0.55 0.05 0.00 0.00 0.00 0.00 61.98 62.58 3iwk s VAL 154 Cb 0.00 -3.67 -0.01 0.00 0.00 0.00 0.00 36.38 32.71 3iwk s VAL 154 CO 0.00 0.25 -0.24 0.68 0.00 0.00 0.00 175.10 175.79 3iwk s VAL 155 N 1.41 2.10 -0.23 2.92 -7.23 -0.46 0.43 120.40 119.34 3iwk s VAL 155 Ca 0.15 -1.03 -0.17 0.00 -1.81 0.00 0.00 61.98 59.13 3iwk s VAL 155 Cb -0.15 -1.78 -0.03 0.00 0.56 0.00 0.00 36.38 34.98 3iwk s VAL 155 CO 0.08 0.57 0.44 0.00 -0.31 0.00 0.00 175.10 175.87 3iwk s ALA 156 N 0.05 3.56 -0.28 1.32 0.00 -0.04 -1.42 121.76 124.95 3iwk s ALA 156 Ca -0.10 -0.58 -0.02 0.00 0.00 0.00 0.00 51.96 51.27 3iwk s ALA 156 Cb -0.16 -2.73 0.04 0.00 0.00 0.00 0.00 23.12 20.27 3iwk s ALA 156 CO 0.06 -0.49 -0.03 -0.51 0.00 0.00 0.00 175.76 174.79 3iwk s LEU 157 N 1.73 3.56 -0.22 0.00 1.02 0.11 -0.77 118.68 124.12 3iwk s LEU 157 Ca 0.20 -1.09 0.00 0.00 0.02 0.00 0.00 54.13 53.26 3iwk s LEU 157 Cb -0.15 -1.69 0.03 0.00 0.02 0.00 0.00 46.19 44.40 3iwk s LEU 157 CO 0.09 -0.20 -0.14 -0.63 0.02 0.00 0.00 176.35 175.50 3iwk s ILE 158 N 1.28 2.37 0.08 -0.59 1.01 -0.51 -0.02 121.20 124.82 3iwk s ILE 158 Ca -0.03 -1.09 0.08 0.00 0.00 0.00 0.00 60.65 59.61 3iwk s ILE 158 Cb -0.18 -2.15 -0.03 0.00 0.01 0.00 0.00 42.46 40.11 3iwk s ILE 158 CO -0.03 0.32 -0.20 0.42 0.00 0.00 0.00 174.94 175.46 3iwk s THR 159 N 1.27 1.61 0.72 2.92 -4.23 -1.05 -1.70 115.64 115.17 3iwk s THR 159 Ca 0.01 -1.42 -0.05 0.00 -1.18 0.00 0.00 61.69 59.04 3iwk s THR 159 Cb -0.16 -1.46 0.09 0.00 1.34 0.00 0.00 72.50 72.32 3iwk s THR 159 CO -0.08 -0.02 1.02 -2.16 -0.54 0.00 0.00 174.62 172.83 3iwk s PRO 160 N -1.70 1.91 0.00 3.99 0.04 -1.24 -2.44 135.00 135.56 3iwk s PRO 160 Ca 0.05 -0.57 0.27 0.00 0.04 0.00 0.00 61.00 60.80 3iwk s PRO 160 Cb -0.10 -2.21 0.89 0.00 0.04 0.00 0.00 34.50 33.12 3iwk s PRO 160 CO 0.03 -1.37 1.65 -2.67 0.04 0.00 0.00 177.00 174.68 3iwk n TRP 161 N -2.93 0.00 0.04 0.56 4.27 -1.26 -4.13 117.44 113.99 3iwk n TRP 161 Ca 0.11 0.00 -0.08 0.00 -3.89 0.00 0.00 57.50 53.64 3iwk n TRP 161 Cb 0.60 -0.10 -0.13 0.00 -1.36 0.00 0.00 31.31 30.33 3iwk n TRP 161 CO 0.00 0.00 0.00 -2.95 -2.29 0.00 0.00 177.69 172.45 3iwk h ASN 162 N 1.40 0.03 -2.36 -0.67 -1.07 -1.95 -3.34 115.58 107.61 3iwk h ASN 162 Ca 0.00 -0.04 -0.59 0.00 0.07 0.00 0.00 56.30 55.74 3iwk h ASN 162 Cb 0.48 -0.01 -0.39 0.00 -2.07 0.00 0.00 38.32 36.33 3iwk h ASN 162 CO 0.00 1.03 -0.90 -1.22 0.07 0.00 0.00 177.43 176.41 3iwk n TYR 163 N -3.28 0.47 0.14 4.14 4.01 -1.26 -5.02 117.16 116.36 3iwk n TYR 163 Ca -0.06 -3.65 -0.13 0.00 -0.16 0.00 0.00 57.90 53.91 3iwk n TYR 163 Cb 0.98 -0.15 -0.06 0.00 -0.31 0.00 0.00 39.34 39.79 3iwk n TYR 163 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 3iwk h PRO 164 N 4.96 -0.41 -0.07 -0.72 0.11 -1.72 -0.05 132.00 134.11 3iwk h PRO 164 Ca 0.18 0.03 -0.22 0.00 0.11 0.00 0.00 66.00 66.10 3iwk h PRO 164 Cb 0.85 0.09 0.01 0.00 0.11 0.00 0.00 31.00 32.05 3iwk h PRO 164 CO 0.51 -0.27 -0.85 0.35 -0.21 0.00 0.00 178.00 177.53 3iwk h PHE 165 N -0.42 0.83 -0.15 0.65 3.57 -1.90 -3.00 116.94 116.52 3iwk h PHE 165 Ca 0.01 -0.40 -0.08 0.00 3.53 0.00 0.00 57.97 61.03 3iwk h PHE 165 Cb 0.41 -0.12 -0.00 0.00 2.79 0.00 0.00 35.95 39.03 3iwk h PHE 165 CO -0.16 1.21 -0.21 1.25 -2.23 0.00 0.00 178.31 178.17 3iwk h LEU 166 N 0.38 0.44 -0.98 0.59 5.85 -1.83 -0.78 115.31 118.97 3iwk h LEU 166 Ca -0.07 -0.52 -0.03 0.00 0.84 0.00 0.00 57.88 58.11 3iwk h LEU 166 Cb 1.47 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 42.34 3iwk h LEU 166 CO 0.16 0.87 0.36 0.24 -0.34 0.00 0.00 178.44 179.73 3iwk h MET 167 N 0.02 1.09 0.06 1.25 2.86 -1.14 0.38 114.93 119.45 3iwk h MET 167 Ca 0.02 -0.15 0.02 0.00 -2.06 0.00 0.00 59.70 57.52 3iwk h MET 167 Cb 0.77 -0.20 -0.03 0.00 0.06 0.00 0.00 31.60 32.20 3iwk h MET 167 CO 0.05 0.84 -0.19 0.00 1.06 0.00 0.00 176.91 178.66 3iwk h ALA 168 N 1.32 -0.29 -0.77 6.32 0.00 -1.43 -2.99 119.26 121.42 3iwk h ALA 168 Ca 0.26 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3iwk h ALA 168 Cb 0.11 0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 3iwk h ALA 168 CO -0.03 -0.71 0.49 1.15 0.00 0.00 0.00 179.25 180.15 3iwk h THR 169 N -0.35 1.21 -0.57 0.00 2.02 -0.55 0.04 112.91 114.71 3iwk h THR 169 Ca 0.04 -0.41 0.16 0.00 0.77 0.00 0.00 66.41 66.98 3iwk h THR 169 Cb 0.39 0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 66.87 3iwk h THR 169 CO -0.14 0.20 0.51 -0.50 0.37 0.00 0.00 175.52 175.96 3iwk h TRP 170 N 1.05 0.00 0.00 3.16 4.06 -0.12 -2.13 115.95 121.96 3iwk h TRP 170 Ca 0.28 0.00 -0.45 0.00 2.06 0.00 0.00 58.89 60.78 3iwk h TRP 170 Cb -0.09 0.00 -0.07 0.00 -1.00 0.00 0.00 29.16 28.00 3iwk h TRP 170 CO -0.01 0.00 -2.51 1.63 -3.56 0.00 0.00 178.44 173.99 3iwk n LYS 171 N -3.93 0.60 -0.07 0.49 5.02 -0.81 -4.55 118.16 114.91 3iwk n LYS 171 Ca 0.11 0.25 -0.12 0.00 -2.02 0.00 0.00 58.31 56.52 3iwk n LYS 171 Cb 0.73 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 34.18 3iwk n LYS 171 CO 0.00 0.00 0.00 -0.84 -0.52 0.00 0.00 177.40 176.04 3iwk h ILE 172 N -0.80 1.29 -0.23 -0.18 3.07 -0.79 -2.42 117.51 117.45 3iwk h ILE 172 Ca -0.67 -1.06 0.06 0.00 1.55 0.00 0.00 64.86 64.74 3iwk h ILE 172 Cb 1.67 1.59 -0.06 0.00 -0.27 0.00 0.00 36.82 39.74 3iwk h ILE 172 CO -0.35 0.32 -0.19 0.00 -1.05 0.00 0.00 178.15 176.87 3iwk h ALA 173 N 0.72 -0.05 -0.12 0.16 0.00 -1.64 0.46 119.26 118.79 3iwk h ALA 173 Ca 0.05 0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 3iwk h ALA 173 Cb 0.52 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 3iwk h ALA 173 CO 0.02 -0.61 -0.43 -1.00 0.00 0.00 0.00 179.25 177.23 3iwk h PRO 174 N -0.19 0.28 -0.46 0.00 0.13 -1.78 -0.52 132.00 129.46 3iwk h PRO 174 Ca 0.13 -0.14 -0.02 0.00 -0.87 0.00 0.00 66.00 65.10 3iwk h PRO 174 Cb 0.39 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.50 3iwk h PRO 174 CO -0.34 0.66 0.21 0.00 -0.23 0.00 0.00 178.00 178.30 3iwk h ALA 175 N 1.32 0.59 -0.35 -0.56 0.00 -0.80 -0.62 119.26 118.84 3iwk h ALA 175 Ca 0.02 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 3iwk h ALA 175 Cb 0.86 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3iwk h ALA 175 CO 0.07 0.17 0.01 -0.07 0.00 0.00 0.00 179.25 179.43 3iwk h LEU 176 N 0.60 0.59 -1.33 0.00 3.38 -0.04 -1.65 115.31 116.86 3iwk h LEU 176 Ca 0.16 -0.30 0.05 0.00 0.09 0.00 0.00 57.88 57.87 3iwk h LEU 176 Cb 0.15 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.70 3iwk h LEU 176 CO -0.02 0.75 0.48 0.00 0.09 0.00 0.00 178.44 179.74 3iwk h ALA 177 N 0.87 1.62 0.00 1.53 0.00 -0.91 -1.97 119.26 120.39 3iwk h ALA 177 Ca 0.10 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3iwk h ALA 177 Cb 0.44 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 3iwk h ALA 177 CO 0.02 0.29 -0.16 0.00 0.00 0.00 0.00 179.25 179.40 3iwk h ALA 178 N 1.58 1.05 0.00 0.00 0.00 -0.96 -3.44 119.26 117.49 3iwk h ALA 178 Ca 0.30 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3iwk h ALA 178 Cb 0.13 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3iwk h ALA 178 CO -0.09 0.20 0.00 0.41 0.00 0.00 0.00 179.25 179.76 3iwk n GLY 179 N 0.01 1.22 3.86 0.00 0.00 -0.74 -3.86 105.19 105.68 3iwk n GLY 179 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 3iwk n GLY 179 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iwk s ALA 181 N -3.17 3.19 0.08 0.00 0.00 -0.99 -4.56 121.76 116.30 3iwk s ALA 181 Ca 0.56 -0.82 0.07 0.00 0.00 0.00 0.00 51.96 51.76 3iwk s ALA 181 Cb -0.12 -1.44 -0.03 0.00 0.00 0.00 0.00 23.12 21.53 3iwk s ALA 181 CO 0.54 0.53 -0.18 0.00 0.00 0.00 0.00 175.76 176.66 3iwk s ALA 182 N -0.70 1.50 -0.28 0.00 0.00 0.14 -1.36 121.76 121.06 3iwk s ALA 182 Ca 0.11 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 50.99 3iwk s ALA 182 Cb -0.12 -0.20 0.05 0.00 0.00 0.00 0.00 23.12 22.86 3iwk s ALA 182 CO 0.02 0.28 -0.05 0.42 0.00 0.00 0.00 175.76 176.43 3iwk s ILE 183 N -1.11 2.65 -0.01 0.00 1.09 -0.51 -0.61 121.20 122.70 3iwk s ILE 183 Ca 0.03 -1.46 -0.23 0.00 -1.10 0.00 0.00 60.65 57.89 3iwk s ILE 183 Cb -0.10 -2.52 -0.05 0.00 -1.06 0.00 0.00 42.46 38.73 3iwk s ILE 183 CO 0.03 -0.05 0.70 -0.22 -0.10 0.00 0.00 174.94 175.30 3iwk s LEU 184 N 1.20 4.39 -0.41 2.97 2.96 0.11 -0.71 118.68 129.19 3iwk s LEU 184 Ca -0.06 1.29 0.03 0.00 -0.22 0.00 0.00 54.13 55.16 3iwk s LEU 184 Cb -0.20 -3.11 0.12 0.00 0.50 0.00 0.00 46.19 43.50 3iwk s LEU 184 CO -0.03 -0.01 0.16 -0.75 -1.32 0.00 0.00 176.35 174.40 3iwk s LYS 185 N 0.23 1.50 0.86 1.98 2.36 0.96 -0.50 119.74 127.13 3iwk s LYS 185 Ca 0.36 -2.03 -0.12 0.00 -2.55 0.00 0.00 55.97 51.64 3iwk s LYS 185 Cb -0.19 -2.92 0.11 0.00 -1.05 0.00 0.00 37.83 33.78 3iwk s LYS 185 CO 0.20 -1.04 1.10 -2.14 1.55 0.00 0.00 175.35 175.02 3iwk s PRO 186 N 0.52 1.57 0.26 4.03 0.02 -1.26 -2.53 135.00 137.61 3iwk s PRO 186 Ca 0.14 0.68 -0.30 0.00 0.02 0.00 0.00 61.00 61.54 3iwk s PRO 186 Cb -0.22 -1.86 -0.09 0.00 0.02 0.00 0.00 34.50 32.35 3iwk s PRO 186 CO -0.06 -1.99 1.27 0.45 -0.33 0.00 0.00 177.00 176.34 3iwk s SER 187 N -3.69 6.92 0.28 2.53 0.15 -1.02 -4.60 113.70 114.28 3iwk s SER 187 Ca 0.62 2.48 0.15 0.00 0.70 0.00 0.00 55.95 59.90 3iwk s SER 187 Cb -0.16 -2.63 0.82 0.00 -1.71 0.00 0.00 66.02 62.34 3iwk s SER 187 CO 0.55 -0.46 1.40 -1.84 1.20 0.00 0.00 173.24 174.10 3iwk n GLU 188 N 1.73 0.10 0.09 5.44 0.00 -1.25 -1.31 120.64 125.44 3iwk n GLU 188 Ca 0.03 0.58 0.08 0.00 0.00 0.00 0.00 57.16 57.84 3iwk n GLU 188 Cb 0.43 -1.98 -0.02 0.00 0.00 0.00 0.00 31.44 29.87 3iwk n GLU 188 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 3iwk h LEU 189 N 0.00 0.00 -5.48 -1.84 3.38 -1.92 -3.43 115.31 106.02 3iwk h LEU 189 Ca 0.00 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.66 3iwk h LEU 189 Cb 0.30 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 40.81 3iwk h LEU 189 CO 0.00 0.18 -0.66 0.00 0.09 0.00 0.00 178.44 178.05 3iwk n ALA 190 N -2.24 -0.20 0.44 1.53 0.00 -0.42 -4.73 120.51 114.88 3iwk n ALA 190 Ca -0.03 -1.76 0.05 0.00 0.00 0.00 0.00 53.44 51.70 3iwk n ALA 190 Cb 0.64 -1.23 -0.02 0.00 0.00 0.00 0.00 19.45 18.83 3iwk n ALA 190 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3iwk n SER 191 N 2.88 0.89 -0.06 0.00 7.64 -1.22 -4.39 113.62 119.36 3iwk n SER 191 Ca 0.22 -0.95 -0.11 0.00 1.01 0.00 0.00 58.87 59.04 3iwk n SER 191 Cb 0.53 0.69 -0.05 0.00 -1.01 0.00 0.00 64.21 64.37 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 0.65 1.23 -0.21 0.44 -1.51 -1.93 -1.01 116.25 113.90 3iwk h VAL 192 Ca 0.00 -0.75 -0.14 0.00 -1.23 0.00 0.00 66.70 64.58 3iwk h VAL 192 Cb 0.29 1.33 -0.01 0.00 -2.13 0.00 0.00 31.29 30.77 3iwk h VAL 192 CO 0.00 0.23 -0.45 0.71 -1.23 0.00 0.00 177.57 176.83 3iwk h THR 193 N 0.13 1.31 -0.68 7.19 1.35 -1.90 -1.78 112.91 118.53 3iwk h THR 193 Ca 0.06 -1.64 0.02 0.00 -0.55 0.00 0.00 66.41 64.30 3iwk h THR 193 Cb 0.32 1.63 -0.04 0.00 -1.73 0.00 0.00 68.15 68.33 3iwk h THR 193 CO 0.00 0.51 0.44 0.00 -0.25 0.00 0.00 175.52 176.23 3iwk h LEU 195 N 0.89 1.09 -2.03 0.00 3.38 -0.80 -2.35 115.31 115.49 3iwk h LEU 195 Ca 0.26 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 3iwk h LEU 195 Cb -0.05 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.42 3iwk h LEU 195 CO -0.08 0.87 -0.04 -0.33 0.09 0.00 0.00 178.44 178.95 3iwk h GLU 196 N 1.23 0.00 -0.26 1.13 4.39 -0.69 -0.79 114.58 119.59 3iwk h GLU 196 Ca 0.31 0.00 0.02 0.00 0.34 0.00 0.00 59.36 60.03 3iwk h GLU 196 Cb 0.01 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 3iwk h GLU 196 CO -0.05 0.04 0.17 1.25 -1.16 0.00 0.00 179.01 179.27 3iwk h LEU 197 N 0.00 0.22 -0.83 1.33 5.85 -0.78 -2.60 115.31 118.50 3iwk h LEU 197 Ca -0.00 -0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.74 3iwk h LEU 197 Cb 0.08 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.01 3iwk h LEU 197 CO 0.01 0.16 0.54 1.23 -0.34 0.00 0.00 178.44 180.04 3iwk h GLY 198 N 0.26 1.19 0.93 3.75 0.00 -1.18 -0.13 103.07 107.89 3iwk h GLY 198 Ca 0.10 -0.42 -0.07 0.00 0.00 0.00 0.00 47.33 46.95 3iwk h GLY 198 CO -0.02 0.39 -0.04 -2.09 0.00 0.00 0.00 176.54 174.77 3iwk h GLU 199 N 1.08 0.66 -0.77 4.80 4.57 -1.57 -2.34 114.58 121.01 3iwk h GLU 199 Ca 0.32 -0.23 0.12 0.00 -1.18 0.00 0.00 59.36 58.38 3iwk h GLU 199 Cb -0.06 -0.05 -0.08 0.00 -0.16 0.00 0.00 28.75 28.40 3iwk h GLU 199 CO -0.09 0.80 0.39 0.82 -1.18 0.00 0.00 179.01 179.74 3iwk h ILE 200 N 0.46 0.79 -0.61 2.32 2.04 -1.16 0.65 117.51 122.00 3iwk h ILE 200 Ca 0.10 -0.21 -0.02 0.00 1.00 0.00 0.00 64.86 65.73 3iwk h ILE 200 Cb 0.53 0.13 -0.03 0.00 -0.74 0.00 0.00 36.82 36.71 3iwk h ILE 200 CO 0.03 0.11 0.32 0.00 0.00 0.00 0.00 178.15 178.61 3iwk h LYS 202 N 0.82 -0.53 -0.73 0.00 1.57 -0.76 -0.36 116.57 116.59 3iwk h LYS 202 Ca 0.21 0.04 0.07 0.00 -1.87 0.00 0.00 60.65 59.09 3iwk h LYS 202 Cb 0.07 0.12 -0.06 0.00 0.08 0.00 0.00 32.23 32.44 3iwk h LYS 202 CO -0.03 -0.35 0.42 0.93 -0.57 0.00 0.00 179.45 179.84 3iwk h GLU 203 N -0.55 0.73 0.00 3.15 5.08 -0.80 -1.64 114.58 120.55 3iwk h GLU 203 Ca -0.02 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 3iwk h GLU 203 Cb 0.48 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 3iwk h GLU 203 CO -0.01 0.48 -0.03 0.28 -1.00 0.00 0.00 179.01 178.74 3iwk h VAL 204 N 0.75 0.06 -0.17 3.13 2.07 -1.08 -3.47 116.25 117.54 3iwk h VAL 204 Ca 0.33 -0.75 -0.03 0.00 0.82 0.00 0.00 66.70 67.07 3iwk h VAL 204 Cb 0.21 1.70 -0.00 0.00 -1.52 0.00 0.00 31.29 31.68 3iwk h VAL 204 CO -0.19 0.03 -0.03 0.61 0.02 0.00 0.00 177.57 178.00 3iwk n GLY 205 N 0.39 0.34 3.64 2.17 0.00 -0.28 -5.00 105.19 106.44 3iwk n GLY 205 Ca 0.02 -0.86 -0.47 0.00 0.00 0.00 0.00 46.02 44.71 3iwk n GLY 205 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3iwk n LEU 206 N -0.19 2.49 -4.73 0.99 7.94 -0.42 -4.85 117.00 118.24 3iwk n LEU 206 Ca -0.02 1.13 -0.42 0.00 -1.11 0.00 0.00 56.01 55.60 3iwk n LEU 206 Cb 0.45 -1.34 -0.02 0.00 0.53 0.00 0.00 43.42 43.04 3iwk n LEU 206 CO 0.02 -0.76 1.32 -2.65 -1.11 0.00 0.00 177.39 174.20 3iwk n PRO 207 N 2.17 2.74 -0.63 1.96 -0.02 -1.26 -4.84 135.00 135.11 3iwk n PRO 207 Ca 0.14 0.98 -0.25 0.00 -2.02 0.00 0.00 63.50 62.36 3iwk n PRO 207 Cb 0.28 -2.80 -0.04 0.00 -0.02 0.00 0.00 33.50 30.92 3iwk n PRO 207 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 3iwk n ARG 208 N 3.17 0.00 -0.88 -0.52 0.63 -1.26 -1.88 116.66 115.92 3iwk n ARG 208 Ca 0.13 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.06 3iwk n ARG 208 Cb 0.36 -0.54 0.00 0.00 0.45 0.00 0.00 32.46 32.72 3iwk n ARG 208 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3iwk n GLY 209 N 1.45 1.09 0.24 5.14 0.00 -1.26 -4.62 105.19 107.22 3iwk n GLY 209 Ca 0.11 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.98 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 1.28 -3.26 1.61 2.07 -1.67 -3.27 116.25 113.01 3iwk h VAL 210 Ca 0.00 -1.81 -0.61 0.00 0.82 0.00 0.00 66.70 65.09 3iwk h VAL 210 Cb 0.00 1.74 -0.34 0.00 -1.52 0.00 0.00 31.29 31.17 3iwk h VAL 210 CO 0.00 0.58 -0.85 -0.22 0.02 0.00 0.00 177.57 177.11 3iwk s LEU 211 N -8.57 1.85 -0.03 2.57 2.96 -1.26 0.25 118.68 116.46 3iwk s LEU 211 Ca -0.10 -0.48 0.06 0.00 -0.22 0.00 0.00 54.13 53.38 3iwk s LEU 211 Cb 0.10 -1.20 -0.01 0.00 0.50 0.00 0.00 46.19 45.58 3iwk s LEU 211 CO 0.89 0.04 -0.20 0.20 -1.32 0.00 0.00 176.35 175.96 3iwk s ASN 212 N 0.89 2.39 -0.24 3.68 0.01 0.22 -4.63 114.94 117.25 3iwk s ASN 212 Ca -0.08 -0.38 -0.00 0.00 -0.71 0.00 0.00 52.86 51.69 3iwk s ASN 212 Cb -0.15 -0.42 0.04 0.00 0.41 0.00 0.00 41.25 41.12 3iwk s ASN 212 CO -0.01 0.22 -0.09 -0.63 -1.51 0.00 0.00 177.10 175.08 3iwk s ILE 213 N -0.29 2.56 -0.33 0.60 1.01 0.65 0.10 121.20 125.50 3iwk s ILE 213 Ca 0.03 -1.19 -0.01 0.00 0.00 0.00 0.00 60.65 59.48 3iwk s ILE 213 Cb -0.09 -2.33 0.08 0.00 0.01 0.00 0.00 42.46 40.12 3iwk s ILE 213 CO 0.01 0.18 0.06 -0.69 0.00 0.00 0.00 174.94 174.49 3iwk s VAL 214 N 1.26 2.91 0.25 2.92 1.01 0.34 -2.18 120.40 126.92 3iwk s VAL 214 Ca -0.02 -1.74 -0.10 0.00 0.00 0.00 0.00 61.98 60.13 3iwk s VAL 214 Cb -0.17 -2.84 -0.07 0.00 0.00 0.00 0.00 36.38 33.30 3iwk s VAL 214 CO -0.06 -0.34 0.57 -0.89 0.00 0.00 0.00 175.10 174.38 3iwk s THR 215 N 1.16 4.91 -5.00 3.92 2.01 -1.26 -4.19 115.64 117.19 3iwk s THR 215 Ca 0.01 0.48 0.00 0.00 0.31 0.00 0.00 61.69 62.48 3iwk s THR 215 Cb -0.21 -3.63 0.00 0.00 0.01 0.00 0.00 72.50 68.67 3iwk s THR 215 CO -0.03 -0.13 0.00 0.61 -0.69 0.00 0.00 174.62 174.38 3iwk n GLY 216 N -0.29 -0.51 3.74 4.40 0.00 -1.25 -0.63 105.19 110.66 3iwk n GLY 216 Ca 0.01 -1.32 -0.40 0.00 0.00 0.00 0.00 46.02 44.31 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 4.61 0.24 0.99 1.02 -1.26 -3.87 118.68 120.41 3iwk s LEU 217 Ca 0.00 1.92 -0.05 0.00 0.02 0.00 0.00 54.13 56.02 3iwk s LEU 217 Cb 0.00 -3.61 0.44 0.00 0.02 0.00 0.00 46.19 43.04 3iwk s LEU 217 CO 0.00 0.10 1.70 1.23 0.02 0.00 0.00 176.35 179.40 3iwk h GLY 218 N 4.49 1.02 2.00 -3.19 0.00 -1.96 -0.01 103.07 105.43 3iwk h GLY 218 Ca -0.45 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 46.82 3iwk h GLY 218 CO 0.69 -0.16 0.00 1.12 0.00 0.00 0.00 176.54 178.19 3iwk h HIS 219 N 0.31 0.00 0.00 5.60 2.07 -1.95 -1.41 115.15 119.78 3iwk h HIS 219 Ca 0.40 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.92 3iwk h HIS 219 Cb 0.65 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.63 3iwk h HIS 219 CO -0.23 0.00 0.00 0.39 -3.07 0.00 0.00 177.93 175.02 3iwk n GLU 220 N -2.32 0.00 -0.06 5.12 1.02 -0.74 -4.32 120.64 119.34 3iwk n GLU 220 Ca 0.04 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.09 3iwk n GLU 220 Cb 0.36 -0.10 -0.02 0.00 -0.02 0.00 0.00 31.44 31.66 3iwk n GLU 220 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3iwk h ALA 221 N -1.52 0.30 -0.10 0.62 0.00 -1.09 -0.49 119.26 116.99 3iwk h ALA 221 Ca 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3iwk h ALA 221 Cb 0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 3iwk h ALA 221 CO 0.00 -0.25 0.06 0.78 0.00 0.00 0.00 179.25 179.84 3iwk h GLY 222 N 0.29 0.14 1.54 0.00 0.00 -1.31 -2.10 103.07 101.63 3iwk h GLY 222 Ca 0.10 -0.06 -0.13 0.00 0.00 0.00 0.00 47.33 47.24 3iwk h GLY 222 CO -0.05 0.06 -0.41 0.00 0.00 0.00 0.00 176.54 176.14 3iwk h ALA 223 N 0.99 0.89 -0.67 3.60 0.00 -1.22 -2.13 119.26 120.71 3iwk h ALA 223 Ca 0.04 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 3iwk h ALA 223 Cb 0.04 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3iwk h ALA 223 CO -0.01 0.64 0.34 0.77 0.00 0.00 0.00 179.25 180.99 3iwk h SER 224 N 0.42 0.87 -0.38 0.00 0.02 -0.99 -2.39 113.55 111.09 3iwk h SER 224 Ca 0.04 -0.12 -0.08 0.00 -0.84 0.00 0.00 61.79 60.79 3iwk h SER 224 Cb 0.89 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.20 3iwk h SER 224 CO 0.08 0.75 -0.06 0.25 -1.14 0.00 0.00 176.83 176.70 3iwk h LEU 225 N 0.93 0.71 -1.09 5.07 5.85 -1.27 -3.03 115.31 122.48 3iwk h LEU 225 Ca 0.23 -0.35 -0.08 0.00 0.84 0.00 0.00 57.88 58.52 3iwk h LEU 225 Cb 0.10 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 3iwk h LEU 225 CO -0.03 0.89 -0.26 0.00 -0.34 0.00 0.00 178.44 178.70 3iwk h ALA 226 N 0.84 1.24 -0.21 1.25 0.00 -1.31 -3.08 119.26 118.01 3iwk h ALA 226 Ca 0.10 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3iwk h ALA 226 Cb 0.57 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3iwk h ALA 226 CO 0.03 0.50 0.00 -1.13 0.00 0.00 0.00 179.25 178.65 3iwk n SER 227 N -4.14 2.56 -4.72 0.00 3.41 -0.91 -4.56 113.62 105.26 3iwk n SER 227 Ca -0.01 -1.84 -0.42 0.00 -0.26 0.00 0.00 58.87 56.34 3iwk n SER 227 Cb 0.38 -0.13 -0.03 0.00 -0.26 0.00 0.00 64.21 64.18 3iwk n SER 227 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 3iwk s HIS 228 N -1.74 3.35 0.26 7.33 5.04 -1.15 -4.92 115.29 123.45 3iwk s HIS 228 Ca 0.35 1.17 0.34 0.00 -1.54 0.00 0.00 55.06 55.38 3iwk s HIS 228 Cb 0.20 -3.54 1.55 0.00 0.04 0.00 0.00 32.58 30.83 3iwk s HIS 228 CO 0.30 -1.76 2.06 -1.35 -2.34 0.00 0.00 174.74 171.65 3iwk h PRO 229 N 6.49 0.00 -0.02 2.88 0.11 -1.92 -2.92 132.00 136.61 3iwk h PRO 229 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 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 0.82 0.04 -0.04 -0.25 -0.21 0.00 0.00 178.00 178.36 3iwk n ASP 230 N -3.19 2.16 -4.71 -2.05 8.00 -1.26 -4.84 116.55 110.66 3iwk n ASP 230 Ca -0.00 -1.69 -0.42 0.00 0.71 0.00 0.00 54.79 53.39 3iwk n ASP 230 Cb 0.26 0.03 -0.03 0.00 -0.02 0.00 0.00 41.12 41.36 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 -2.05 4.62 -0.07 2.53 1.01 -1.10 -4.71 120.40 120.63 3iwk s VAL 231 Ca 0.32 1.91 0.11 0.00 0.00 0.00 0.00 61.98 64.32 3iwk s VAL 231 Cb 0.20 -4.22 -0.23 0.00 0.00 0.00 0.00 36.38 32.13 3iwk s VAL 231 CO 0.34 0.16 0.56 0.47 0.00 0.00 0.00 175.10 176.64 3iwk n ASP 232 N 3.79 0.91 -3.73 3.32 8.00 0.17 -4.96 116.55 124.05 3iwk n ASP 232 Ca 0.06 0.35 -0.14 0.00 0.71 0.00 0.00 54.79 55.78 3iwk n ASP 232 Cb 0.50 -0.03 -0.09 0.00 -0.02 0.00 0.00 41.12 41.47 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 -2.58 0.59 -0.19 -1.24 2.20 -1.11 -4.05 119.74 113.36 3iwk s LYS 233 Ca -0.07 0.20 -0.04 0.00 -0.36 0.00 0.00 55.97 55.71 3iwk s LYS 233 Cb 0.08 0.27 -0.02 0.00 -1.51 0.00 0.00 37.83 36.65 3iwk s LYS 233 CO 0.82 -0.13 -0.04 0.42 -0.36 0.00 0.00 175.35 176.06 3iwk s ILE 234 N -0.56 3.64 -0.21 5.43 1.01 -0.84 -0.86 121.20 128.81 3iwk s ILE 234 Ca -0.07 -0.42 -0.03 0.00 0.00 0.00 0.00 60.65 60.13 3iwk s ILE 234 Cb -0.04 -2.63 -0.00 0.00 0.01 0.00 0.00 42.46 39.81 3iwk s ILE 234 CO 0.03 0.45 -0.08 -0.55 0.00 0.00 0.00 174.94 174.79 3iwk s SER 235 N 0.93 4.06 -0.02 3.58 0.15 0.05 -1.33 113.70 121.12 3iwk s SER 235 Ca -0.00 -0.47 0.04 0.00 0.70 0.00 0.00 55.95 56.22 3iwk s SER 235 Cb -0.15 -1.68 -0.01 0.00 -1.71 0.00 0.00 66.02 62.47 3iwk s SER 235 CO 0.01 -0.02 -0.14 0.12 1.20 0.00 0.00 173.24 174.41 3iwk s PHE 236 N 1.43 1.31 -0.06 3.44 5.36 -0.09 -1.42 117.98 127.95 3iwk s PHE 236 Ca 0.05 -0.28 0.02 0.00 -0.96 0.00 0.00 56.93 55.76 3iwk s PHE 236 Cb -0.14 -0.86 0.02 0.00 -0.34 0.00 0.00 43.02 41.69 3iwk s PHE 236 CO -0.05 -0.05 -0.09 0.99 -1.46 0.00 0.00 175.22 174.55 3iwk s THR 237 N -0.21 0.92 -4.25 0.12 2.01 -0.69 -1.55 115.64 111.98 3iwk s THR 237 Ca 0.03 -0.34 0.00 0.00 0.31 0.00 0.00 61.69 61.69 3iwk s THR 237 Cb -0.07 -0.87 0.00 0.00 0.01 0.00 0.00 72.50 71.57 3iwk s THR 237 CO -0.00 0.31 0.00 0.61 -0.69 0.00 0.00 174.62 174.85 3iwk n GLY 238 N 3.99 -0.53 3.78 4.40 0.00 -0.84 -3.63 105.19 112.35 3iwk n GLY 238 Ca -0.23 -0.75 -0.34 0.00 0.00 0.00 0.00 46.02 44.71 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 5.80 0.30 1.61 1.04 -1.26 -3.75 113.70 113.45 3iwk s SER 239 Ca 0.00 2.06 0.00 0.00 0.48 0.00 0.00 55.95 58.49 3iwk s SER 239 Cb 0.00 -2.57 0.52 0.00 0.10 0.00 0.00 66.02 64.07 3iwk s SER 239 CO 0.00 -1.16 1.92 -1.28 0.98 0.00 0.00 173.24 173.71 3iwk h SER 240 N 1.07 0.91 -0.16 7.02 0.87 -1.93 -0.63 113.55 120.70 3iwk h SER 240 Ca -0.49 0.00 -0.19 0.00 -1.23 0.00 0.00 61.79 59.88 3iwk h SER 240 Cb 1.25 -0.20 0.01 0.00 -0.44 0.00 0.00 62.40 63.02 3iwk h SER 240 CO 0.57 0.60 -0.64 0.00 -0.53 0.00 0.00 176.83 176.84 3iwk h ALA 241 N 1.50 0.29 -0.29 6.23 0.00 -1.99 -2.08 119.26 122.92 3iwk h ALA 241 Ca 0.37 -0.55 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 3iwk h ALA 241 Cb 0.14 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3iwk h ALA 241 CO -0.13 0.57 -0.03 1.15 0.00 0.00 0.00 179.25 180.81 3iwk h THR 242 N 0.41 1.27 -0.77 0.00 2.02 -1.90 -1.28 112.91 112.67 3iwk h THR 242 Ca -0.03 -1.02 0.17 0.00 0.77 0.00 0.00 66.41 66.29 3iwk h THR 242 Cb 1.27 1.34 -0.11 0.00 -1.74 0.00 0.00 68.15 68.91 3iwk h THR 242 CO 0.13 0.33 0.25 1.23 0.37 0.00 0.00 175.52 177.83 3iwk h GLY 243 N 0.32 1.15 1.27 2.16 0.00 -1.12 0.16 103.07 107.00 3iwk h GLY 243 Ca 0.08 -0.09 -0.09 0.00 0.00 0.00 0.00 47.33 47.23 3iwk h GLY 243 CO 0.02 -0.18 -0.07 0.23 0.00 0.00 0.00 176.54 176.54 3iwk h SER 244 N 0.34 0.86 -0.41 0.19 0.87 -1.10 -1.98 113.55 112.31 3iwk h SER 244 Ca 0.44 -0.25 -0.13 0.00 -1.23 0.00 0.00 61.79 60.62 3iwk h SER 244 Cb 0.75 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.46 3iwk h SER 244 CO -0.48 0.96 -0.25 0.11 -0.53 0.00 0.00 176.83 176.64 3iwk h LYS 245 N 0.80 0.93 -0.56 2.24 1.57 -0.01 -2.47 116.57 119.07 3iwk h LYS 245 Ca 0.14 -0.41 -0.07 0.00 -1.87 0.00 0.00 60.65 58.44 3iwk h LYS 245 Cb 0.57 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.83 3iwk h LYS 245 CO 0.03 1.07 0.06 0.82 -0.57 0.00 0.00 179.45 180.86 3iwk h ILE 246 N 0.79 1.26 -0.48 1.86 2.04 -0.57 -1.72 117.51 120.69 3iwk h ILE 246 Ca 0.10 -1.02 -0.08 0.00 1.00 0.00 0.00 64.86 64.86 3iwk h ILE 246 Cb 0.81 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 3iwk h ILE 246 CO 0.07 0.37 -0.02 -0.03 0.00 0.00 0.00 178.15 178.53 3iwk h MET 247 N 0.83 0.81 -0.33 2.37 4.05 -1.34 0.28 114.93 121.60 3iwk h MET 247 Ca 0.17 -0.23 -0.01 0.00 -0.28 0.00 0.00 59.70 59.35 3iwk h MET 247 Cb 0.45 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 31.15 3iwk h MET 247 CO 0.02 0.83 0.18 1.15 0.23 0.00 0.00 176.91 179.31 3iwk h THR 248 N 0.75 1.13 -0.10 -0.77 2.02 -1.25 0.01 112.91 114.71 3iwk h THR 248 Ca 0.14 -0.35 -0.00 0.00 0.77 0.00 0.00 66.41 66.97 3iwk h THR 248 Cb 0.49 0.77 -0.00 0.00 -1.74 0.00 0.00 68.15 67.66 3iwk h THR 248 CO 0.02 0.13 0.05 0.74 0.37 0.00 0.00 175.52 176.84 3iwk h THR 249 N 0.41 1.10 -0.75 3.16 2.02 -1.08 -2.63 112.91 115.13 3iwk h THR 249 Ca 0.11 -0.30 0.14 0.00 0.77 0.00 0.00 66.41 67.13 3iwk h THR 249 Cb 0.06 1.12 -0.05 0.00 -1.74 0.00 0.00 68.15 67.54 3iwk h THR 249 CO -0.02 0.09 0.50 0.00 0.37 0.00 0.00 175.52 176.46 3iwk h ALA 250 N 0.93 2.03 0.00 6.16 0.00 -0.72 -1.99 119.26 125.68 3iwk h ALA 250 Ca 0.03 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3iwk h ALA 250 Cb 0.10 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3iwk h ALA 250 CO -0.00 -0.23 -0.21 0.00 0.00 0.00 0.00 179.25 178.81 3iwk h ALA 251 N 1.64 1.62 -0.90 0.00 0.00 -0.60 0.13 119.26 121.14 3iwk h ALA 251 Ca 0.37 -0.19 0.13 0.00 0.00 0.00 0.00 54.91 55.22 3iwk h ALA 251 Cb 0.75 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.44 3iwk h ALA 251 CO -0.13 0.26 0.58 1.96 0.00 0.00 0.00 179.25 181.92 3iwk h GLN 252 N 0.00 0.75 0.00 0.00 1.08 -1.32 -2.57 115.11 113.05 3iwk h GLN 252 Ca -0.00 -0.05 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 3iwk h GLN 252 Cb 0.37 -0.17 0.00 0.00 -0.05 0.00 0.00 27.48 27.63 3iwk h GLN 252 CO 0.03 0.50 -0.03 1.28 -0.95 0.00 0.00 178.83 179.65 3iwk n LEU 253 N -4.56 2.12 -3.87 1.46 4.77 -1.04 -5.00 117.00 110.87 3iwk n LEU 253 Ca 0.17 -2.77 -0.28 0.00 -0.03 0.00 0.00 56.01 53.10 3iwk n LEU 253 Cb 0.42 -0.34 0.03 0.00 -2.33 0.00 0.00 43.42 41.19 3iwk n LEU 253 CO 0.29 0.64 0.07 0.52 -1.33 0.00 0.00 177.39 177.58 3iwk n VAL 254 N -1.20 -2.55 -2.69 4.08 0.31 -0.14 -4.95 118.33 111.19 3iwk n VAL 254 Ca 0.13 -0.12 -0.41 0.00 -0.01 0.00 0.00 64.34 63.93 3iwk n VAL 254 Cb 0.59 -3.03 -0.04 0.00 -0.91 0.00 0.00 33.84 30.44 3iwk n VAL 254 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 3iwk s LYS 255 N -6.49 4.67 0.69 5.55 -0.14 0.27 -4.98 119.74 119.31 3iwk s LYS 255 Ca 0.52 1.49 -0.16 0.00 -1.36 0.00 0.00 55.97 56.46 3iwk s LYS 255 Cb -0.26 -3.37 0.02 0.00 -1.68 0.00 0.00 37.83 32.54 3iwk s LYS 255 CO 0.83 0.17 1.19 -1.25 -0.76 0.00 0.00 175.35 175.53 3iwk s PRO 256 N 0.04 2.42 -0.02 -1.68 0.04 -1.26 -4.64 135.00 129.90 3iwk s PRO 256 Ca 0.48 1.71 -0.07 0.00 0.04 0.00 0.00 61.00 63.16 3iwk s PRO 256 Cb -0.24 -1.87 0.01 0.00 0.04 0.00 0.00 34.50 32.43 3iwk s PRO 256 CO 0.30 -1.61 0.15 0.08 0.04 0.00 0.00 177.00 175.96 3iwk s VAL 257 N -1.97 0.05 -0.05 -0.36 1.01 -1.26 -1.98 120.40 115.84 3iwk s VAL 257 Ca 0.74 -0.41 0.03 0.00 0.00 0.00 0.00 61.98 62.34 3iwk s VAL 257 Cb -0.28 -0.35 0.00 0.00 0.00 0.00 0.00 36.38 35.76 3iwk s VAL 257 CO 0.42 -0.22 -0.14 -0.94 0.00 0.00 0.00 175.10 174.22 3iwk s SER 258 N -0.77 1.83 -0.11 3.32 1.04 -0.44 -4.92 113.70 113.65 3iwk s SER 258 Ca -0.09 -0.30 0.01 0.00 0.48 0.00 0.00 55.95 56.05 3iwk s SER 258 Cb -0.05 -0.64 0.02 0.00 0.10 0.00 0.00 66.02 65.45 3iwk s SER 258 CO 0.01 0.09 -0.12 -0.76 0.98 0.00 0.00 173.24 173.44 3iwk s LEU 259 N 0.30 1.53 -0.29 2.42 1.43 -0.71 -0.91 118.68 122.45 3iwk s LEU 259 Ca -0.08 -0.37 0.01 0.00 -1.03 0.00 0.00 54.13 52.66 3iwk s LEU 259 Cb -0.13 -0.97 0.06 0.00 0.03 0.00 0.00 46.19 45.18 3iwk s LEU 259 CO 0.03 -0.04 -0.05 -0.70 0.23 0.00 0.00 176.35 175.82 3iwk s GLU 260 N 1.23 2.27 0.00 1.70 2.12 -0.60 -1.68 118.70 123.74 3iwk s GLU 260 Ca -0.03 -1.36 0.00 0.00 0.36 0.00 0.00 54.97 53.94 3iwk s GLU 260 Cb -0.14 -3.05 0.00 0.00 0.26 0.00 0.00 34.13 31.20 3iwk s GLU 260 CO -0.04 -0.63 0.00 1.28 -0.54 0.00 0.00 175.26 175.33 3iwk n LEU 261 N 4.50 0.00 0.00 2.70 4.77 -0.46 -1.98 117.00 126.53 3iwk n LEU 261 Ca -0.12 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.86 3iwk n LEU 261 Cb 0.43 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 3iwk n LEU 261 CO 0.24 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.91 3iwk n GLY 262 N 5.00 -2.82 3.61 -0.72 0.00 -1.25 -4.86 105.19 104.15 3iwk n GLY 262 Ca 0.00 -0.95 -0.06 0.00 0.00 0.00 0.00 46.02 45.01 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 -1.14 -0.11 -0.48 -0.02 0.00 -1.21 -4.63 107.32 99.72 3iwk s GLY 263 Ca 0.00 2.32 0.08 0.00 0.00 0.00 0.00 44.72 47.12 3iwk s GLY 263 CO 0.00 0.99 0.69 1.17 0.00 0.00 0.00 173.10 175.95 3iwk n LYS 264 N 0.52 1.63 -2.20 2.90 3.00 -1.26 -4.61 118.16 118.14 3iwk n LYS 264 Ca -0.04 -3.89 -0.41 0.00 -0.00 0.00 0.00 58.31 53.97 3iwk n LYS 264 Cb 0.58 -1.75 -0.03 0.00 0.00 0.00 0.00 35.03 33.84 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 -2.11 6.89 0.17 3.14 0.01 -1.22 -4.80 113.70 115.78 3iwk s SER 265 Ca 0.39 2.54 -0.07 0.00 1.31 0.00 0.00 55.95 60.13 3iwk s SER 265 Cb 0.21 -2.63 -0.06 0.00 0.21 0.00 0.00 66.02 63.75 3iwk s SER 265 CO -0.08 -0.47 0.44 -2.16 0.41 0.00 0.00 173.24 171.38 3iwk s PRO 266 N -1.27 3.70 -0.22 12.44 0.04 -1.26 -2.10 135.00 146.33 3iwk s PRO 266 Ca 0.50 0.07 0.01 0.00 0.04 0.00 0.00 61.00 61.62 3iwk s PRO 266 Cb -0.38 -2.79 0.05 0.00 0.04 0.00 0.00 34.50 31.42 3iwk s PRO 266 CO 0.47 0.42 -0.09 -1.50 0.04 0.00 0.00 177.00 176.34 3iwk s ILE 267 N -1.69 1.75 -0.25 0.56 2.07 -0.01 -0.84 121.20 122.80 3iwk s ILE 267 Ca 0.42 -1.21 -0.15 0.00 -1.41 0.00 0.00 60.65 58.30 3iwk s ILE 267 Cb -0.12 -1.88 -0.04 0.00 0.13 0.00 0.00 42.46 40.55 3iwk s ILE 267 CO 0.23 0.06 0.38 -0.69 -1.91 0.00 0.00 174.94 173.01 3iwk s VAL 268 N 1.32 5.19 -0.22 4.00 1.01 0.11 -1.26 120.40 130.56 3iwk s VAL 268 Ca -0.04 0.61 -0.01 0.00 0.00 0.00 0.00 61.98 62.54 3iwk s VAL 268 Cb -0.18 -3.70 0.02 0.00 0.00 0.00 0.00 36.38 32.52 3iwk s VAL 268 CO -0.07 0.19 -0.12 -0.69 0.00 0.00 0.00 175.10 174.42 3iwk s VAL 269 N 1.79 2.60 0.58 2.92 1.01 -0.09 -0.12 120.40 129.09 3iwk s VAL 269 Ca 0.16 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.23 3iwk s VAL 269 Cb -0.15 -2.22 0.05 0.00 0.00 0.00 0.00 36.38 34.05 3iwk s VAL 269 CO 0.09 0.37 0.82 -0.36 0.00 0.00 0.00 175.10 176.02 3iwk s PHE 270 N 1.33 2.69 0.29 5.22 0.08 -0.31 -2.05 117.98 125.21 3iwk s PHE 270 Ca 0.03 -0.02 0.09 0.00 0.12 0.00 0.00 56.93 57.15 3iwk s PHE 270 Cb -0.15 -2.81 0.42 0.00 -0.57 0.00 0.00 43.02 39.91 3iwk s PHE 270 CO -0.08 -1.03 1.66 1.05 -0.10 0.00 0.00 175.22 176.72 3iwk h GLU 271 N -0.06 0.08 -4.15 0.44 9.09 -1.93 -3.37 114.58 114.68 3iwk h GLU 271 Ca -0.41 -0.05 -0.70 0.00 0.05 0.00 0.00 59.36 58.25 3iwk h GLU 271 Cb 1.29 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.37 3iwk h GLU 271 CO 0.51 0.60 2.94 -0.40 0.05 0.00 0.00 179.01 182.71 3iwk n ASP 272 N -3.91 3.64 -3.75 3.06 5.75 -1.26 -4.84 116.55 115.24 3iwk n ASP 272 Ca -0.02 -2.81 -0.13 0.00 -0.01 0.00 0.00 54.79 51.83 3iwk n ASP 272 Cb 0.56 -1.56 -0.11 0.00 -1.03 0.00 0.00 41.12 38.97 3iwk n ASP 272 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3iwk s VAL 273 N 3.61 -0.01 -0.77 2.12 1.01 -1.26 -0.72 120.40 124.39 3iwk s VAL 273 Ca 0.49 0.02 -0.25 0.00 0.00 0.00 0.00 61.98 62.24 3iwk s VAL 273 Cb 0.14 -0.46 -0.03 0.00 0.00 0.00 0.00 36.38 36.03 3iwk s VAL 273 CO -0.04 0.01 1.85 -0.62 0.00 0.00 0.00 175.10 176.29 3iwk s ASP 274 N 0.39 5.32 0.35 3.32 -1.08 -1.26 -4.87 116.67 118.84 3iwk s ASP 274 Ca -0.02 -0.23 0.11 0.00 -0.52 0.00 0.00 52.55 51.89 3iwk s ASP 274 Cb -0.04 -2.55 0.89 0.00 -1.46 0.00 0.00 42.92 39.77 3iwk s ASP 274 CO -0.02 -2.47 1.80 -0.07 0.52 0.00 0.00 175.17 174.93 3iwk h LEU 275 N 16.72 0.63 -0.10 -1.34 4.07 -1.98 -1.77 115.31 131.54 3iwk h LEU 275 Ca -0.08 0.08 -0.20 0.00 0.08 0.00 0.00 57.88 57.76 3iwk h LEU 275 Cb 1.08 -0.03 0.01 0.00 1.08 0.00 0.00 40.66 42.80 3iwk h LEU 275 CO 1.23 0.22 -0.72 0.44 -1.08 0.00 0.00 178.44 178.52 3iwk h ASP 276 N 0.61 0.81 -0.50 -0.43 3.32 -1.99 -2.23 116.42 116.02 3iwk h ASP 276 Ca 0.55 -0.66 -0.11 0.00 0.02 0.00 0.00 57.03 56.83 3iwk h ASP 276 Cb 1.07 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.36 3iwk h ASP 276 CO -0.31 1.35 -0.10 0.11 -1.72 0.00 0.00 179.24 178.57 3iwk h LYS 277 N 0.34 0.95 0.00 3.56 1.57 -1.76 -2.85 116.57 118.37 3iwk h LYS 277 Ca -0.06 -0.36 -0.06 0.00 -1.87 0.00 0.00 60.65 58.30 3iwk h LYS 277 Cb 1.37 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.61 3iwk h LYS 277 CO 0.15 1.02 -0.29 -0.39 -0.57 0.00 0.00 179.45 179.36 3iwk h VAL 278 N 0.81 0.55 -0.24 0.50 -1.51 -1.47 -3.12 116.25 111.77 3iwk h VAL 278 Ca 0.13 -1.58 0.00 0.00 -1.23 0.00 0.00 66.70 64.02 3iwk h VAL 278 Cb 0.66 2.12 -0.01 0.00 -2.13 0.00 0.00 31.29 31.92 3iwk h VAL 278 CO 0.05 0.29 0.15 0.00 -1.23 0.00 0.00 177.57 176.83 3iwk h ALA 279 N 1.71 0.30 -0.39 5.19 0.00 -1.25 -0.25 119.26 124.56 3iwk h ALA 279 Ca -0.00 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.97 3iwk h ALA 279 Cb 1.09 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.72 3iwk h ALA 279 CO 0.04 -0.23 -0.07 1.49 0.00 0.00 0.00 179.25 180.48 3iwk h GLU 280 N 0.32 0.03 -0.37 0.00 4.81 -1.48 -0.97 114.58 116.93 3iwk h GLU 280 Ca 0.09 -0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.35 3iwk h GLU 280 Cb -0.03 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 3iwk h GLU 280 CO -0.02 0.02 0.17 -1.49 -0.73 0.00 0.00 179.01 176.95 3iwk h TRP 281 N 0.03 0.30 -0.32 0.92 -0.00 -1.38 0.47 115.95 115.97 3iwk h TRP 281 Ca 0.19 0.02 -0.07 0.00 -0.00 0.00 0.00 58.89 59.02 3iwk h TRP 281 Cb 0.28 -0.08 -0.01 0.00 -0.00 0.00 0.00 29.16 29.35 3iwk h TRP 281 CO -0.32 0.15 -0.09 1.79 -0.00 0.00 0.00 178.44 179.96 3iwk h THR 282 N 0.34 1.28 -0.53 1.49 1.35 -0.87 0.29 112.91 116.28 3iwk h THR 282 Ca 0.16 -1.15 0.08 0.00 -0.55 0.00 0.00 66.41 64.94 3iwk h THR 282 Cb 0.09 1.37 -0.06 0.00 -1.73 0.00 0.00 68.15 67.82 3iwk h THR 282 CO -0.13 0.37 0.19 0.58 -0.25 0.00 0.00 175.52 176.28 3iwk h VAL 283 N 0.40 0.81 -0.55 6.82 2.07 -0.97 -1.98 116.25 122.84 3iwk h VAL 283 Ca 0.08 -0.12 0.03 0.00 0.82 0.00 0.00 66.70 67.50 3iwk h VAL 283 Cb 0.59 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 30.74 3iwk h VAL 283 CO 0.03 0.07 0.33 0.15 0.02 0.00 0.00 177.57 178.17 3iwk h PHE 284 N 0.36 0.61 0.00 1.57 3.04 0.32 -1.27 116.94 121.57 3iwk h PHE 284 Ca 0.26 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.23 3iwk h PHE 284 Cb 0.29 -0.19 0.00 0.00 2.56 0.00 0.00 35.95 38.61 3iwk h PHE 284 CO -0.17 0.34 0.00 0.41 -2.02 0.00 0.00 178.31 176.87 3iwk n GLY 285 N -1.25 -1.14 0.00 2.40 0.00 0.10 -2.31 105.19 102.99 3iwk n GLY 285 Ca 0.05 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3iwk n GLY 285 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iwk n PHE 287 N -1.72 0.00 -1.58 0.00 0.99 -0.50 -3.92 117.46 110.73 3iwk n PHE 287 Ca -0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 57.45 57.07 3iwk n PHE 287 Cb 0.22 -0.17 0.06 0.00 -1.00 0.00 0.00 39.48 38.58 3iwk n PHE 287 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 3iwk n PHE 288 N -1.69 0.62 -3.17 1.38 -0.00 -0.98 -1.86 117.46 111.75 3iwk n PHE 288 Ca -0.01 0.43 -0.22 0.00 -0.00 0.00 0.00 57.45 57.65 3iwk n PHE 288 Cb 0.24 -2.11 0.00 0.00 -0.00 0.00 0.00 39.48 37.61 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 -1.85 -1.18 -2.39 -2.13 -1.04 -1.26 -0.41 114.28 104.03 3iwk n THR 289 Ca 0.14 0.00 -0.18 0.00 -2.04 0.00 0.00 64.05 61.97 3iwk n THR 289 Cb 0.48 -2.19 -0.01 0.00 -1.82 0.00 0.00 70.33 66.79 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 -2.28 -5.29 0.00 8.00 3.02 -0.78 -1.34 115.26 116.59 3iwk n ASN 290 Ca -0.05 0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.56 3iwk n ASN 290 Cb 0.57 -4.43 0.00 0.00 -0.61 0.00 0.00 39.78 35.31 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 -0.94 0.80 2.70 7.41 0.00 0.46 -3.10 105.19 112.52 3iwk n GLY 291 Ca -0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.35 4.88 -5.14 1.61 6.02 -0.45 -3.14 117.38 118.81 3iwk n GLN 292 Ca 0.00 -4.25 -0.32 0.00 -0.01 0.00 0.00 57.00 52.42 3iwk n GLN 292 Cb 0.00 -2.56 -0.16 0.00 1.02 0.00 0.00 30.24 28.54 3iwk n GLN 292 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3iwk s ILE 293 N -2.80 2.25 0.31 5.09 1.01 -1.26 -4.84 121.20 120.95 3iwk s ILE 293 Ca 0.41 -0.96 -0.00 0.00 0.00 0.00 0.00 60.65 60.10 3iwk s ILE 293 Cb 0.15 -1.87 0.27 0.00 0.01 0.00 0.00 42.46 41.02 3iwk s ILE 293 CO -0.06 0.56 1.95 0.00 0.00 0.00 0.00 174.94 177.39 3iwk n SER 295 N -4.45 5.01 -4.67 0.00 3.41 -1.26 -3.28 113.62 108.38 3iwk n SER 295 Ca 0.11 -3.17 -0.46 0.00 -0.26 0.00 0.00 58.87 55.09 3iwk n SER 295 Cb 0.11 -0.73 -0.04 0.00 -0.26 0.00 0.00 64.21 63.29 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 -0.01 1.31 -2.75 7.33 0.00 -0.82 -4.72 120.51 120.85 3iwk n ALA 296 Ca 0.38 0.44 -0.43 0.00 0.00 0.00 0.00 53.44 53.83 3iwk n ALA 296 Cb 1.34 -2.34 -0.02 0.00 0.00 0.00 0.00 19.45 18.42 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 0.82 4.39 -1.96 0.00 -4.23 0.46 -3.38 115.64 111.75 3iwk s THR 297 Ca 0.78 -1.41 0.18 0.00 -1.18 0.00 0.00 61.69 60.06 3iwk s THR 297 Cb -0.68 -4.94 0.33 0.00 1.34 0.00 0.00 72.50 68.54 3iwk s THR 297 CO 0.39 -1.74 1.25 -1.54 -0.54 0.00 0.00 174.62 172.45 3iwk n SER 298 N 7.53 3.04 -3.97 3.99 3.41 -0.89 -4.21 113.62 122.51 3iwk n SER 298 Ca 0.31 -1.89 -0.31 0.00 -0.26 0.00 0.00 58.87 56.73 3iwk n SER 298 Cb 0.49 -0.19 -0.15 0.00 -0.26 0.00 0.00 64.21 64.10 3iwk n SER 298 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3iwk s ARG 299 N -1.29 1.56 -0.01 4.33 0.52 -1.04 -1.50 118.95 121.52 3iwk s ARG 299 Ca 0.30 -1.47 -0.23 0.00 -0.52 0.00 0.00 55.73 53.81 3iwk s ARG 299 Cb 0.18 -2.84 -0.05 0.00 0.52 0.00 0.00 34.95 32.76 3iwk s ARG 299 CO 0.25 -0.80 0.68 -1.17 0.02 0.00 0.00 175.30 174.28 3iwk s LEU 300 N 1.15 4.39 -0.37 2.53 0.20 0.64 -0.83 118.68 126.38 3iwk s LEU 300 Ca 0.03 1.25 0.01 0.00 0.69 0.00 0.00 54.13 56.11 3iwk s LEU 300 Cb -0.19 -3.07 0.11 0.00 -0.43 0.00 0.00 46.19 42.61 3iwk s LEU 300 CO -0.09 -0.01 0.14 -0.63 -0.29 0.00 0.00 176.35 175.47 3iwk s ILE 301 N 0.23 1.42 -0.05 6.68 1.01 -0.39 -0.78 121.20 129.32 3iwk s ILE 301 Ca 0.36 -2.08 -0.00 0.00 0.00 0.00 0.00 60.65 58.92 3iwk s ILE 301 Cb -0.19 -2.04 -0.03 0.00 0.01 0.00 0.00 42.46 40.21 3iwk s ILE 301 CO 0.19 -0.74 -0.01 0.68 0.00 0.00 0.00 174.94 175.06 3iwk s VAL 302 N 0.95 4.19 0.29 2.92 -7.23 -0.71 -0.91 120.40 119.91 3iwk s VAL 302 Ca 0.13 -0.41 -0.29 0.00 -1.81 0.00 0.00 61.98 59.60 3iwk s VAL 302 Cb -0.21 -2.80 -0.10 0.00 0.56 0.00 0.00 36.38 33.83 3iwk s VAL 302 CO -0.12 0.52 1.45 -2.28 -0.31 0.00 0.00 175.10 174.36 3iwk s HIS 303 N -0.96 2.90 0.54 2.82 2.46 -0.87 -0.99 115.29 121.19 3iwk s HIS 303 Ca 0.16 1.08 0.22 0.00 0.47 0.00 0.00 55.06 56.99 3iwk s HIS 303 Cb -0.11 -3.87 1.41 0.00 -0.13 0.00 0.00 32.58 29.88 3iwk s HIS 303 CO 0.05 -2.73 2.09 1.05 -2.47 0.00 0.00 174.74 172.74 3iwk h GLU 304 N 4.34 0.00 0.00 2.88 4.11 -1.35 -2.02 114.58 122.54 3iwk h GLU 304 Ca -0.48 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 58.95 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 0.73 0.00 -0.01 0.66 0.07 0.00 0.00 179.01 180.46 3iwk h SER 305 N 0.00 0.00 -0.00 3.06 4.64 -1.91 -3.18 113.55 116.16 3iwk h SER 305 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3iwk h SER 305 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 3iwk h SER 305 CO -0.00 0.01 -0.07 2.30 -0.87 0.00 0.00 176.83 178.19 3iwk n ILE 306 N -3.10 0.00 -0.25 0.95 -5.35 -1.01 -4.83 119.36 105.77 3iwk n ILE 306 Ca 0.02 -0.46 0.03 0.00 -0.27 0.00 0.00 62.75 62.07 3iwk n ILE 306 Cb 0.38 1.03 0.16 0.00 -1.74 0.00 0.00 39.64 39.47 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 0.49 0.99 0.01 -1.28 0.00 -1.36 -0.04 119.26 118.07 3iwk h ALA 307 Ca 0.00 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3iwk h ALA 307 Cb 0.09 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3iwk h ALA 307 CO 0.00 -0.16 -0.00 -0.24 0.00 0.00 0.00 179.25 178.84 3iwk h VAL 308 N 0.48 1.26 0.00 0.00 3.04 -1.88 -2.11 116.25 117.04 3iwk h VAL 308 Ca 0.38 -0.81 -0.15 0.00 -1.01 0.00 0.00 66.70 65.11 3iwk h VAL 308 Cb 0.52 1.81 -0.02 0.00 -2.01 0.00 0.00 31.29 31.58 3iwk h VAL 308 CO -0.35 0.21 -0.71 1.05 -1.01 0.00 0.00 177.57 176.75 3iwk h GLU 309 N -0.36 0.00 0.07 4.17 4.11 -1.87 -2.46 114.58 118.24 3iwk h GLU 309 Ca -0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.43 3iwk h GLU 309 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 3iwk h GLU 309 CO 0.00 0.71 -0.03 0.35 0.07 0.00 0.00 179.01 180.12 3iwk h PHE 310 N 0.00 -0.08 -0.10 2.06 3.57 -1.03 -2.17 116.94 119.18 3iwk h PHE 310 Ca -0.01 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.45 3iwk h PHE 310 Cb 1.31 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 40.06 3iwk h PHE 310 CO 0.00 0.25 -0.13 0.28 -2.23 0.00 0.00 178.31 176.48 3iwk h VAL 311 N -0.42 1.16 -0.54 1.41 2.07 -1.41 -0.03 116.25 118.47 3iwk h VAL 311 Ca -0.01 -0.69 -0.09 0.00 0.82 0.00 0.00 66.70 66.73 3iwk h VAL 311 Cb 0.37 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 3iwk h VAL 311 CO 0.01 0.21 -0.02 0.44 0.02 0.00 0.00 177.57 178.24 3iwk h ASP 312 N 0.15 0.96 -0.24 0.57 3.32 -1.40 -0.57 116.42 119.21 3iwk h ASP 312 Ca 0.03 -0.31 -0.11 0.00 0.02 0.00 0.00 57.03 56.65 3iwk h ASP 312 Cb 0.33 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 3iwk h ASP 312 CO 0.02 1.04 -0.24 0.11 -1.72 0.00 0.00 179.24 178.45 3iwk h LYS 313 N 0.85 0.72 0.06 3.56 1.57 -0.72 -2.64 116.57 119.97 3iwk h LYS 313 Ca 0.15 -0.30 0.03 0.00 -1.87 0.00 0.00 60.65 58.66 3iwk h LYS 313 Cb 0.56 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.80 3iwk h LYS 313 CO 0.03 0.90 -0.31 -0.07 -0.57 0.00 0.00 179.45 179.43 3iwk h LEU 314 N 0.63 -0.91 -0.62 2.94 4.07 -0.79 -1.10 115.31 119.52 3iwk h LEU 314 Ca 0.08 0.11 0.12 0.00 0.08 0.00 0.00 57.88 58.28 3iwk h LEU 314 Cb 0.74 0.36 -0.09 0.00 1.08 0.00 0.00 40.66 42.75 3iwk h LEU 314 CO 0.06 -0.39 0.10 0.58 -1.08 0.00 0.00 178.44 177.71 3iwk h VAL 315 N -0.50 0.58 -0.33 1.22 2.07 -0.94 0.18 116.25 118.53 3iwk h VAL 315 Ca 0.05 -0.07 -0.11 0.00 0.82 0.00 0.00 66.70 67.38 3iwk h VAL 315 Cb 0.56 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 3iwk h VAL 315 CO -0.22 0.04 -0.24 0.11 0.02 0.00 0.00 177.57 177.28 3iwk h LYS 316 N 0.22 0.65 -0.30 1.57 1.57 -1.27 1.00 116.57 120.00 3iwk h LYS 316 Ca 0.33 -0.26 -0.03 0.00 -1.87 0.00 0.00 60.65 58.82 3iwk h LYS 316 Cb 0.52 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 3iwk h LYS 316 CO -0.45 0.83 0.06 -1.49 -0.57 0.00 0.00 179.45 177.82 3iwk h TRP 317 N 0.57 0.52 -0.70 -1.35 4.06 -0.25 -2.74 115.95 116.05 3iwk h TRP 317 Ca 0.08 -0.07 -0.02 0.00 2.06 0.00 0.00 58.89 60.93 3iwk h TRP 317 Cb 0.71 -0.14 -0.03 0.00 -1.00 0.00 0.00 29.16 28.70 3iwk h TRP 317 CO 0.03 0.57 0.34 0.00 -3.56 0.00 0.00 178.44 175.82 3iwk h ALA 318 N 0.89 1.27 0.00 1.49 0.00 -0.36 -2.60 119.26 119.95 3iwk h ALA 318 Ca 0.09 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3iwk h ALA 318 Cb 0.33 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3iwk h ALA 318 CO 0.00 0.56 -0.01 0.39 0.00 0.00 0.00 179.25 180.20 3iwk n GLU 319 N -4.33 0.05 -0.13 0.00 1.02 0.32 -2.99 120.64 114.57 3iwk n GLU 319 Ca 0.07 0.04 0.12 0.00 -0.02 0.00 0.00 57.16 57.36 3iwk n GLU 319 Cb 0.13 -1.55 0.23 0.00 -0.02 0.00 0.00 31.44 30.23 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 -1.64 3.04 -4.65 1.62 5.15 -0.99 -4.91 115.26 112.88 3iwk n ASN 320 Ca 0.07 -1.94 -0.43 0.00 -0.60 0.00 0.00 54.58 51.68 3iwk n ASN 320 Cb 0.36 -0.17 -0.02 0.00 -0.53 0.00 0.00 39.78 39.41 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 -1.66 4.49 -0.14 -1.44 1.01 -1.16 -4.98 121.20 117.33 3iwk s ILE 321 Ca 0.36 1.78 -0.29 0.00 0.00 0.00 0.00 60.65 62.49 3iwk s ILE 321 Cb 0.21 -4.23 -0.04 0.00 0.01 0.00 0.00 42.46 38.42 3iwk s ILE 321 CO 0.31 -0.25 1.54 -0.75 0.00 0.00 0.00 174.94 175.78 3iwk s LYS 322 N 3.45 4.08 -0.22 2.79 2.20 -1.26 -4.89 119.74 125.88 3iwk s LYS 322 Ca 0.48 1.88 -0.05 0.00 -0.36 0.00 0.00 55.97 57.93 3iwk s LYS 322 Cb -0.16 -3.94 -0.01 0.00 -1.51 0.00 0.00 37.83 32.20 3iwk s LYS 322 CO 0.12 -0.95 -0.02 -1.50 -0.36 0.00 0.00 175.35 172.64 3iwk s ILE 323 N 4.25 3.60 0.38 5.43 2.07 -1.26 -1.13 121.20 134.55 3iwk s ILE 323 Ca 0.68 -0.41 -0.12 0.00 -1.41 0.00 0.00 60.65 59.39 3iwk s ILE 323 Cb -0.28 -2.65 0.04 0.00 0.13 0.00 0.00 42.46 39.71 3iwk s ILE 323 CO 0.25 0.41 0.71 -0.94 -1.91 0.00 0.00 174.94 173.46 3iwk s SER 324 N 1.47 0.30 0.15 4.50 1.04 -1.08 -5.01 113.70 115.08 3iwk s SER 324 Ca 0.06 -1.28 -0.34 0.00 0.48 0.00 0.00 55.95 54.86 3iwk s SER 324 Cb -0.14 0.81 -0.15 0.00 0.10 0.00 0.00 66.02 66.64 3iwk s SER 324 CO -0.01 -1.61 1.34 -0.67 0.98 0.00 0.00 173.24 173.27 3iwk n ASP 325 N -1.49 2.03 0.12 7.02 2.03 -1.26 -4.36 116.55 120.64 3iwk n ASP 325 Ca -0.06 1.12 0.08 0.00 0.52 0.00 0.00 54.79 56.45 3iwk n ASP 325 Cb 0.60 -1.29 0.44 0.00 -0.72 0.00 0.00 41.12 40.15 3iwk n ASP 325 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 3iwk n PRO 326 N 2.38 0.10 0.03 -0.67 -0.04 -1.26 -1.49 135.00 134.05 3iwk n PRO 326 Ca 0.16 0.60 0.11 0.00 -0.04 0.00 0.00 63.50 64.33 3iwk n PRO 326 Cb 0.25 -1.84 -0.06 0.00 -0.04 0.00 0.00 33.50 31.81 3iwk n PRO 326 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3iwk n LEU 327 N -2.06 0.49 -4.76 1.53 4.77 -1.26 -1.23 117.00 114.47 3iwk n LEU 327 Ca -0.01 0.05 -0.41 0.00 -0.03 0.00 0.00 56.01 55.61 3iwk n LEU 327 Cb 0.03 -0.05 -0.02 0.00 -2.33 0.00 0.00 43.42 41.05 3iwk n LEU 327 CO 0.07 -0.02 1.04 -0.70 -1.33 0.00 0.00 177.39 176.45 3iwk s GLU 328 N -3.34 4.29 0.27 3.23 2.12 -0.56 -4.92 118.70 119.79 3iwk s GLU 328 Ca -0.01 2.30 -0.31 0.00 0.36 0.00 0.00 54.97 57.32 3iwk s GLU 328 Cb 0.13 -3.06 -0.12 0.00 0.26 0.00 0.00 34.13 31.34 3iwk s GLU 328 CO 0.84 -0.31 1.53 -1.91 -0.54 0.00 0.00 175.26 174.87 3iwk n GLU 329 N 1.16 2.47 -0.98 4.30 2.13 -1.26 -2.49 120.64 125.97 3iwk n GLU 329 Ca 0.02 0.88 0.00 0.00 0.66 0.00 0.00 57.16 58.72 3iwk n GLU 329 Cb 0.41 -2.62 0.00 0.00 0.27 0.00 0.00 31.44 29.50 3iwk n GLU 329 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3iwk n GLY 330 N 2.22 0.69 3.67 8.31 0.00 -1.26 -5.01 105.19 113.82 3iwk n GLY 330 Ca 0.10 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.67 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 2.35 0.26 -3.40 0.00 5.12 -0.28 -4.78 116.66 115.92 3iwk n ARG 332 Ca 0.13 -0.20 -0.02 0.00 -1.93 0.00 0.00 57.85 55.82 3iwk n ARG 332 Cb 0.31 -0.66 -0.05 0.00 -1.16 0.00 0.00 32.46 30.91 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 -0.19 -1.04 0.00 0.55 2.96 -0.80 -4.87 118.68 115.29 3iwk s LEU 333 Ca 0.00 0.93 0.00 0.00 -0.22 0.00 0.00 54.13 54.84 3iwk s LEU 333 Cb 0.00 1.84 0.00 0.00 0.50 0.00 0.00 46.19 48.53 3iwk s LEU 333 CO 0.00 -0.25 0.00 0.61 -1.32 0.00 0.00 176.35 175.39 3iwk n GLY 334 N 5.41 0.61 3.87 7.98 0.00 -1.26 -2.64 105.19 119.17 3iwk n GLY 334 Ca -0.06 -1.92 -0.31 0.00 0.00 0.00 0.00 46.02 43.74 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 -1.82 3.62 0.47 1.61 0.04 -1.23 -4.79 135.00 132.90 3iwk s PRO 335 Ca 0.00 0.69 -0.24 0.00 0.04 0.00 0.00 61.00 61.49 3iwk s PRO 335 Cb 0.00 -2.13 -0.07 0.00 0.04 0.00 0.00 34.50 32.34 3iwk s PRO 335 CO 0.00 -0.50 1.32 0.42 0.04 0.00 0.00 177.00 178.29 3iwk s ILE 336 N -3.08 2.41 0.34 0.56 -1.09 0.14 -4.74 121.20 115.75 3iwk s ILE 336 Ca 0.54 0.34 0.09 0.00 -2.23 0.00 0.00 60.65 59.39 3iwk s ILE 336 Cb -0.11 -3.19 0.33 0.00 -1.58 0.00 0.00 42.46 37.91 3iwk s ILE 336 CO 0.51 0.02 1.82 1.62 -1.23 0.00 0.00 174.94 177.68 3iwk h VAL 337 N 1.99 0.74 -3.80 2.92 3.04 -1.88 -3.43 116.25 115.83 3iwk h VAL 337 Ca -0.50 -0.23 -0.09 0.00 -1.01 0.00 0.00 66.70 64.87 3iwk h VAL 337 Cb 1.27 0.01 -0.12 0.00 -2.01 0.00 0.00 31.29 30.43 3iwk h VAL 337 CO 0.60 0.12 -0.27 -0.94 -1.01 0.00 0.00 177.57 176.07 3iwk s SER 338 N -5.56 -0.00 0.13 3.17 1.04 -1.26 -4.53 113.70 106.69 3iwk s SER 338 Ca -0.10 -0.81 -0.19 0.00 0.48 0.00 0.00 55.95 55.34 3iwk s SER 338 Cb 0.24 0.45 -0.02 0.00 0.10 0.00 0.00 66.02 66.79 3iwk s SER 338 CO 0.80 -0.91 1.75 -0.08 0.98 0.00 0.00 173.24 175.77 3iwk h GLU 339 N 2.50 0.18 -0.63 4.02 4.81 -1.98 0.16 114.58 123.64 3iwk h GLU 339 Ca -0.31 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 58.91 3iwk h GLU 339 Cb 1.23 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.54 3iwk h GLU 339 CO 0.47 0.12 0.42 0.00 -0.73 0.00 0.00 179.01 179.29 3iwk h ALA 340 N 1.15 0.81 -0.47 2.92 0.00 -1.99 -1.24 119.26 120.44 3iwk h ALA 340 Ca 0.11 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 3iwk h ALA 340 Cb 0.08 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3iwk h ALA 340 CO -0.11 0.23 -0.03 1.96 0.00 0.00 0.00 179.25 181.30 3iwk h GLN 341 N 0.86 0.85 -0.27 0.00 1.08 -1.94 -1.93 115.11 113.77 3iwk h GLN 341 Ca 0.23 -0.29 0.06 0.00 -1.45 0.00 0.00 58.65 57.21 3iwk h GLN 341 Cb -0.09 -0.07 -0.06 0.00 -0.05 0.00 0.00 27.48 27.20 3iwk h GLN 341 CO -0.05 0.91 -0.15 -0.92 -0.95 0.00 0.00 178.83 177.67 3iwk h TYR 342 N 0.70 -0.37 -0.65 2.96 3.20 -0.50 -0.29 116.97 122.02 3iwk h TYR 342 Ca 0.13 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.99 3iwk h TYR 342 Cb 0.55 0.20 -0.03 0.00 1.54 0.00 0.00 36.73 38.99 3iwk h TYR 342 CO 0.04 -0.22 0.24 0.87 -1.64 0.00 0.00 178.16 177.45 3iwk h LYS 343 N -0.12 0.96 -0.62 1.82 1.57 -1.16 -2.14 116.57 116.88 3iwk h LYS 343 Ca 0.14 -0.17 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 3iwk h LYS 343 Cb 0.34 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.46 3iwk h LYS 343 CO -0.34 0.80 0.19 0.87 -0.57 0.00 0.00 179.45 180.40 3iwk h LYS 344 N 0.94 0.96 0.00 3.15 1.57 -0.76 -0.37 116.57 122.05 3iwk h LYS 344 Ca 0.22 -0.20 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3iwk h LYS 344 Cb 0.22 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.39 3iwk h LYS 344 CO -0.02 0.85 -0.00 0.28 -0.57 0.00 0.00 179.45 179.99 3iwk h VAL 345 N 0.88 1.11 -0.83 0.50 2.07 -0.86 -2.50 116.25 116.61 3iwk h VAL 345 Ca 0.20 -0.32 0.05 0.00 0.82 0.00 0.00 66.70 67.45 3iwk h VAL 345 Cb 0.29 1.32 -0.06 0.00 -1.52 0.00 0.00 31.29 31.32 3iwk h VAL 345 CO -0.01 0.08 0.52 -0.07 0.02 0.00 0.00 177.57 178.12 3iwk h LEU 346 N -0.13 0.85 -1.67 2.57 3.38 -1.25 -1.53 115.31 117.52 3iwk h LEU 346 Ca -0.00 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3iwk h LEU 346 Cb 0.13 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3iwk h LEU 346 CO 0.00 0.56 0.07 0.78 0.09 0.00 0.00 178.44 179.94 3iwk h ASN 347 N 0.99 0.25 -0.32 -0.43 2.35 -0.95 -1.29 115.58 116.18 3iwk h ASN 347 Ca 0.35 -0.02 -0.14 0.00 -0.55 0.00 0.00 56.30 55.94 3iwk h ASN 347 Cb 0.09 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 3iwk h ASN 347 CO -0.14 0.25 -0.30 0.00 -1.65 0.00 0.00 177.43 175.58 3iwk h ILE 349 N 0.71 1.30 -0.27 0.00 2.04 -0.92 -2.07 117.51 118.30 3iwk h ILE 349 Ca 0.08 -1.08 -0.12 0.00 1.00 0.00 0.00 64.86 64.75 3iwk h ILE 349 Cb 0.85 1.64 -0.01 0.00 -0.74 0.00 0.00 36.82 38.56 3iwk h ILE 349 CO 0.07 0.32 -0.31 0.77 0.00 0.00 0.00 178.15 179.00 3iwk h SER 350 N 0.06 0.60 -0.65 1.72 4.64 -1.29 -2.56 113.55 116.06 3iwk h SER 350 Ca 0.04 -0.23 -0.05 0.00 -0.47 0.00 0.00 61.79 61.08 3iwk h SER 350 Cb 0.53 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 62.42 3iwk h SER 350 CO 0.02 0.87 0.21 0.28 -0.87 0.00 0.00 176.83 177.35 3iwk h SER 351 N 0.49 0.96 -1.00 4.97 0.02 -1.32 0.05 113.55 117.73 3iwk h SER 351 Ca 0.06 -0.17 0.04 0.00 -0.84 0.00 0.00 61.79 60.88 3iwk h SER 351 Cb 0.79 -0.25 -0.06 0.00 0.14 0.00 0.00 62.40 63.02 3iwk h SER 351 CO 0.06 0.89 0.65 0.00 -1.14 0.00 0.00 176.83 177.30 3iwk h ALA 352 N 1.23 1.33 -0.24 3.77 0.00 -1.16 -1.46 119.26 122.73 3iwk h ALA 352 Ca 0.22 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 3iwk h ALA 352 Cb 0.28 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3iwk h ALA 352 CO -0.01 0.54 -0.10 -0.22 0.00 0.00 0.00 179.25 179.47 3iwk h LYS 353 N 1.26 0.49 -0.96 0.00 3.64 -0.95 -0.34 116.57 119.71 3iwk h LYS 353 Ca 0.40 -0.21 0.14 0.00 -1.27 0.00 0.00 60.65 59.72 3iwk h LYS 353 Cb 0.01 -0.02 -0.09 0.00 -0.41 0.00 0.00 32.23 31.72 3iwk h LYS 353 CO -0.13 0.74 0.58 0.77 -2.27 0.00 0.00 179.45 179.14 3iwk h SER 354 N 0.22 0.80 0.08 4.20 0.02 -0.73 -2.13 113.55 116.01 3iwk h SER 354 Ca 0.06 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 3iwk h SER 354 Cb 0.58 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.04 3iwk h SER 354 CO 0.03 0.38 -0.03 -0.62 -1.14 0.00 0.00 176.83 175.46 3iwk n GLU 355 N -4.71 1.17 0.00 3.45 1.02 -0.58 -4.90 120.64 116.09 3iwk n GLU 355 Ca 0.19 -0.41 0.00 0.00 -0.02 0.00 0.00 57.16 56.93 3iwk n GLU 355 Cb 0.42 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.35 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 1.13 1.11 3.89 0.62 0.00 -0.80 -5.03 105.19 106.11 3iwk n GLY 356 Ca 0.20 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 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 3.32 -0.23 4.61 0.00 -0.15 -4.95 121.76 122.36 3iwk s ALA 357 Ca 0.00 -0.31 -0.10 0.00 0.00 0.00 0.00 51.96 51.55 3iwk s ALA 357 Cb 0.00 -2.73 -0.05 0.00 0.00 0.00 0.00 23.12 20.34 3iwk s ALA 357 CO 0.00 -0.30 0.14 0.99 0.00 0.00 0.00 175.76 176.59 3iwk s THR 358 N -2.70 5.28 -0.91 0.00 2.01 0.08 -4.41 115.64 114.99 3iwk s THR 358 Ca 0.50 0.15 -0.19 0.00 0.31 0.00 0.00 61.69 62.46 3iwk s THR 358 Cb -0.10 -3.44 0.13 0.00 0.01 0.00 0.00 72.50 69.09 3iwk s THR 358 CO 0.42 0.38 1.12 -0.63 -0.69 0.00 0.00 174.62 175.21 3iwk s ILE 359 N 0.85 4.70 0.16 1.82 -1.09 -1.26 -0.01 121.20 126.37 3iwk s ILE 359 Ca 0.07 -1.50 -0.11 0.00 -2.23 0.00 0.00 60.65 56.88 3iwk s ILE 359 Cb -0.13 -4.78 0.04 0.00 -1.58 0.00 0.00 42.46 36.02 3iwk s ILE 359 CO 0.03 -1.51 1.63 -0.07 -1.23 0.00 0.00 174.94 173.79 3iwk h LEU 360 N 10.48 0.94 -7.79 2.97 3.38 -1.67 -3.46 115.31 120.16 3iwk h LEU 360 Ca 0.13 -0.30 -0.08 0.00 0.09 0.00 0.00 57.88 57.72 3iwk h LEU 360 Cb 1.03 -0.25 -0.13 0.00 0.09 0.00 0.00 40.66 41.39 3iwk h LEU 360 CO 1.11 1.00 -0.30 0.28 0.09 0.00 0.00 178.44 180.63 3iwk s THR 361 N -5.06 0.11 0.00 0.22 -1.32 -1.24 -4.99 115.64 103.36 3iwk s THR 361 Ca -0.12 -1.10 0.00 0.00 -1.21 0.00 0.00 61.69 59.26 3iwk s THR 361 Cb 0.13 -1.42 0.00 0.00 -1.51 0.00 0.00 72.50 69.70 3iwk s THR 361 CO 0.84 -0.51 0.00 0.61 -2.21 0.00 0.00 174.62 173.35 3iwk n GLY 362 N -0.13 2.40 1.84 6.08 0.00 -1.21 -2.73 105.19 111.45 3iwk n GLY 362 Ca -0.14 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 0.64 3.34 -0.02 0.00 -1.25 -4.96 105.19 102.93 3iwk n GLY 363 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 3iwk n GLY 363 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3iwk s ARG 364 N -0.15 1.15 0.39 1.61 1.70 -1.26 -4.97 118.95 117.41 3iwk s ARG 364 Ca 0.00 -1.15 -0.25 0.00 -0.47 0.00 0.00 55.73 53.86 3iwk s ARG 364 Cb 0.00 0.38 -0.09 0.00 -0.57 0.00 0.00 34.95 34.67 3iwk s ARG 364 CO 0.00 -0.42 1.12 -0.98 -1.08 0.00 0.00 175.30 173.94 3iwk s ARG 365 N -3.96 4.16 0.44 3.89 1.70 -1.26 -1.71 118.95 122.21 3iwk s ARG 365 Ca 0.16 1.73 -0.26 0.00 -0.47 0.00 0.00 55.73 56.89 3iwk s ARG 365 Cb 0.03 -2.69 -0.09 0.00 -0.57 0.00 0.00 34.95 31.63 3iwk s ARG 365 CO -0.01 -0.20 1.44 -2.14 -1.08 0.00 0.00 175.30 173.32 3iwk s PRO 366 N -2.26 3.77 0.34 3.89 0.02 -1.26 -4.89 135.00 134.61 3iwk s PRO 366 Ca 0.56 2.45 0.02 0.00 0.02 0.00 0.00 61.00 64.04 3iwk s PRO 366 Cb -0.28 -2.72 0.61 0.00 0.02 0.00 0.00 34.50 32.13 3iwk s PRO 366 CO 0.35 -0.76 1.99 1.49 -0.33 0.00 0.00 177.00 179.74 3iwk h GLU 367 N 2.45 0.88 -0.41 5.54 4.22 -1.99 -2.90 114.58 122.37 3iwk h GLU 367 Ca -0.51 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 58.88 3iwk h GLU 367 Cb 1.26 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.31 3iwk h GLU 367 CO 0.62 0.58 0.00 -2.39 -2.18 0.00 0.00 179.01 175.64 3iwk n HIS 368 N -4.44 0.54 -3.81 0.92 1.44 -1.26 -4.66 115.22 103.94 3iwk n HIS 368 Ca 0.08 -0.27 -0.30 0.00 -2.01 0.00 0.00 57.72 55.22 3iwk n HIS 368 Cb 0.08 0.00 -0.15 0.00 0.12 0.00 0.00 29.99 30.04 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 -1.13 3.08 0.12 2.39 2.01 -1.10 -4.99 118.68 119.06 3iwk s LEU 369 Ca 0.32 -2.02 -0.06 0.00 0.01 0.00 0.00 54.13 52.38 3iwk s LEU 369 Cb 0.17 -1.13 -0.10 0.00 0.01 0.00 0.00 46.19 45.13 3iwk s LEU 369 CO 0.23 -0.37 1.30 0.11 1.01 0.00 0.00 176.35 178.62 3iwk h LYS 370 N 7.64 0.47 -6.28 1.70 1.79 -1.83 -3.43 116.57 116.64 3iwk h LYS 370 Ca -0.09 -0.49 -0.58 0.00 -2.18 0.00 0.00 60.65 57.32 3iwk h LYS 370 Cb 0.99 0.13 -0.11 0.00 -1.58 0.00 0.00 32.23 31.67 3iwk h LYS 370 CO 0.50 1.13 -0.68 0.15 -1.08 0.00 0.00 179.45 179.47 3iwk s LYS 371 N -3.32 2.18 0.00 3.15 -0.14 -1.26 -5.07 119.74 115.28 3iwk s LYS 371 Ca -0.06 -1.39 0.00 0.00 -1.36 0.00 0.00 55.97 53.15 3iwk s LYS 371 Cb 0.09 -2.13 0.00 0.00 -1.68 0.00 0.00 37.83 34.10 3iwk s LYS 371 CO 0.87 0.39 0.00 0.41 -0.76 0.00 0.00 175.35 176.26 3iwk n GLY 372 N -0.57 1.74 2.68 -3.33 0.00 -1.19 -4.77 105.19 99.74 3iwk n GLY 372 Ca -0.08 -2.00 -0.41 0.00 0.00 0.00 0.00 46.02 43.53 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 1.45 2.82 -3.47 1.61 0.53 -0.33 -4.99 117.16 114.78 3iwk n TYR 373 Ca 0.00 -2.57 -0.37 0.00 -1.02 0.00 0.00 57.90 53.94 3iwk n TYR 373 Cb 0.00 -1.18 -0.07 0.00 -1.03 0.00 0.00 39.34 37.06 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 -4.29 3.42 0.00 -0.72 0.40 -1.26 0.25 117.98 115.78 3iwk s PHE 374 Ca 0.41 0.60 0.07 0.00 -0.60 0.00 0.00 56.93 57.41 3iwk s PHE 374 Cb 0.22 -2.43 -0.02 0.00 0.51 0.00 0.00 43.02 41.30 3iwk s PHE 374 CO -0.16 0.12 -0.23 0.08 0.70 0.00 0.00 175.22 175.73 3iwk s VAL 375 N 0.86 1.80 0.42 -0.44 1.01 -1.26 -4.20 120.40 118.58 3iwk s VAL 375 Ca 0.18 -1.07 -0.24 0.00 0.00 0.00 0.00 61.98 60.85 3iwk s VAL 375 Cb -0.14 -1.51 -0.08 0.00 0.00 0.00 0.00 36.38 34.65 3iwk s VAL 375 CO 0.06 0.42 1.10 -1.61 0.00 0.00 0.00 175.10 175.07 3iwk s GLU 376 N -0.76 4.01 0.06 2.72 2.02 -0.69 -4.91 118.70 121.15 3iwk s GLU 376 Ca 0.09 1.62 -0.35 0.00 0.02 0.00 0.00 54.97 56.35 3iwk s GLU 376 Cb -0.09 -2.50 -0.14 0.00 0.10 0.00 0.00 34.13 31.50 3iwk s GLU 376 CO 0.00 -0.30 1.61 -2.30 0.02 0.00 0.00 175.26 174.29 3iwk n PRO 377 N -0.22 1.90 -4.89 0.39 -0.02 -1.26 -3.90 135.00 127.01 3iwk n PRO 377 Ca 0.06 0.69 -0.33 0.00 -2.02 0.00 0.00 63.50 61.90 3iwk n PRO 377 Cb 0.49 -2.45 -0.16 0.00 -0.02 0.00 0.00 33.50 31.36 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 1.70 2.39 -0.28 3.45 2.01 0.69 -3.32 115.64 122.27 3iwk s THR 378 Ca 0.84 -0.89 -0.00 0.00 0.31 0.00 0.00 61.69 61.95 3iwk s THR 378 Cb -0.76 -1.96 0.05 0.00 0.01 0.00 0.00 72.50 69.84 3iwk s THR 378 CO 0.44 0.54 -0.04 -0.63 -0.69 0.00 0.00 174.62 174.24 3iwk s ILE 379 N 0.53 2.71 -0.26 1.82 1.01 -1.11 -0.37 121.20 125.53 3iwk s ILE 379 Ca -0.12 -1.44 -0.11 0.00 0.00 0.00 0.00 60.65 58.97 3iwk s ILE 379 Cb -0.17 -2.55 -0.05 0.00 0.01 0.00 0.00 42.46 39.70 3iwk s ILE 379 CO 0.04 -0.06 0.19 -0.63 0.00 0.00 0.00 174.94 174.49 3iwk s ILE 380 N 1.21 5.32 0.48 2.92 1.01 0.93 -1.57 121.20 131.50 3iwk s ILE 380 Ca -0.06 0.22 0.05 0.00 0.00 0.00 0.00 60.65 60.86 3iwk s ILE 380 Cb -0.20 -3.53 -0.02 0.00 0.01 0.00 0.00 42.46 38.72 3iwk s ILE 380 CO -0.03 0.29 0.18 0.28 0.00 0.00 0.00 174.94 175.67 3iwk s THR 381 N 1.43 1.77 -1.43 2.92 -1.32 0.98 -1.07 115.64 118.93 3iwk s THR 381 Ca 0.08 -1.74 -0.08 0.00 -1.21 0.00 0.00 61.69 58.74 3iwk s THR 381 Cb -0.15 -2.52 0.05 0.00 -1.51 0.00 0.00 72.50 68.37 3iwk s THR 381 CO 0.08 0.00 0.91 0.47 -2.21 0.00 0.00 174.62 173.87 3iwk n ASP 382 N -1.38 -3.62 -4.81 8.08 10.43 -1.26 -0.74 116.55 123.25 3iwk n ASP 382 Ca -0.07 -0.76 -0.36 0.00 2.57 0.00 0.00 54.79 56.17 3iwk n ASP 382 Cb 0.65 -4.10 -0.06 0.00 1.84 0.00 0.00 41.12 39.45 3iwk n ASP 382 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3iwk s VAL 383 N -3.43 4.51 0.07 2.53 1.01 -1.22 -4.49 120.40 119.37 3iwk s VAL 383 Ca 0.41 1.35 0.08 0.00 0.00 0.00 0.00 61.98 63.82 3iwk s VAL 383 Cb -0.20 -3.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 3iwk s VAL 383 CO 0.81 0.13 -0.17 -0.89 0.00 0.00 0.00 175.10 174.98 3iwk s THR 384 N -1.62 2.92 0.55 3.92 2.01 -1.26 -4.85 115.64 117.31 3iwk s THR 384 Ca 0.46 -1.28 0.31 0.00 0.31 0.00 0.00 61.69 61.49 3iwk s THR 384 Cb -0.16 -2.28 0.46 0.00 0.01 0.00 0.00 72.50 70.53 3iwk s THR 384 CO 0.21 0.23 1.87 0.74 -0.69 0.00 0.00 174.62 176.98 3iwk h THR 385 N 3.72 0.49 -0.01 -0.82 2.02 -2.00 -1.50 112.91 114.82 3iwk h THR 385 Ca -0.49 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.69 3iwk h THR 385 Cb 1.16 0.55 0.00 0.00 -1.74 0.00 0.00 68.15 68.12 3iwk h THR 385 CO 0.48 0.00 -0.14 -1.54 0.37 0.00 0.00 175.52 174.69 3iwk n SER 386 N -4.12 0.78 -4.84 4.18 3.41 -1.26 -4.74 113.62 107.04 3iwk n SER 386 Ca 0.17 -0.84 -0.32 0.00 -0.26 0.00 0.00 58.87 57.62 3iwk n SER 386 Cb 0.93 0.01 -0.05 0.00 -0.26 0.00 0.00 64.21 64.83 3iwk n SER 386 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 3iwk s MET 387 N -2.39 4.06 0.12 4.33 1.00 -0.57 -5.00 119.30 120.85 3iwk s MET 387 Ca 0.30 0.96 -0.21 0.00 0.00 0.00 0.00 55.69 56.74 3iwk s MET 387 Cb 0.20 -2.20 -0.07 0.00 0.00 0.00 0.00 34.83 32.76 3iwk s MET 387 CO 0.46 -0.11 1.74 1.96 0.00 0.00 0.00 175.02 179.07 3iwk h GLN 388 N 1.50 0.08 0.00 2.03 4.20 -1.91 -2.66 115.11 118.35 3iwk h GLN 388 Ca -0.48 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.23 3iwk h GLN 388 Cb 1.18 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.94 3iwk h GLN 388 CO 0.62 0.05 0.00 -0.84 -0.67 0.00 0.00 178.83 177.99 3iwk h ILE 389 N 0.08 0.00 0.21 2.54 -0.00 -1.87 0.55 117.51 119.01 3iwk h ILE 389 Ca 0.07 -0.13 -0.32 0.00 -0.00 0.00 0.00 64.86 64.47 3iwk h ILE 389 Cb 0.06 0.94 0.02 0.00 -0.00 0.00 0.00 36.82 37.85 3iwk h ILE 389 CO -0.09 0.00 -1.47 -0.25 -0.00 0.00 0.00 178.15 176.34 3iwk h TRP 390 N 0.00 0.81 0.06 0.16 2.91 -1.76 -3.41 115.95 114.72 3iwk h TRP 390 Ca 0.00 -0.59 -0.26 0.00 1.13 0.00 0.00 58.89 59.16 3iwk h TRP 390 Cb 0.15 -0.03 -0.02 0.00 -0.51 0.00 0.00 29.16 28.75 3iwk h TRP 390 CO 0.00 1.50 -1.41 0.00 -1.03 0.00 0.00 178.44 177.51 3iwk h ARG 391 N 0.12 0.13 -6.03 2.65 3.08 -0.96 -3.49 114.38 109.89 3iwk h ARG 391 Ca -0.24 -0.22 -0.60 0.00 0.07 0.00 0.00 59.98 58.99 3iwk h ARG 391 Cb 2.11 0.08 -0.05 0.00 0.08 0.00 0.00 29.97 32.20 3iwk h ARG 391 CO 0.24 1.10 -0.31 -1.21 -1.07 0.00 0.00 179.97 178.73 3iwk s GLU 392 N -2.43 3.68 0.01 0.04 2.02 0.18 -4.92 118.70 117.28 3iwk s GLU 392 Ca -0.24 0.06 -0.30 0.00 0.02 0.00 0.00 54.97 54.50 3iwk s GLU 392 Cb 0.05 -3.02 -0.06 0.00 0.10 0.00 0.00 34.13 31.20 3iwk s GLU 392 CO 0.68 0.59 1.45 -2.00 0.02 0.00 0.00 175.26 176.01 3iwk s GLU 393 N -1.89 4.26 -0.12 1.61 2.12 -1.26 -4.71 118.70 118.71 3iwk s GLU 393 Ca 0.31 2.04 -0.10 0.00 0.36 0.00 0.00 54.97 57.58 3iwk s GLU 393 Cb -0.14 -3.58 -0.26 0.00 0.26 0.00 0.00 34.13 30.42 3iwk s GLU 393 CO 0.18 -0.61 0.39 0.28 -0.54 0.00 0.00 175.26 174.96 3iwk h VAL 394 N 4.90 0.73 -5.78 3.70 2.07 -1.93 -3.49 116.25 116.45 3iwk h VAL 394 Ca -0.39 -2.34 -0.36 0.00 0.82 0.00 0.00 66.70 64.43 3iwk h VAL 394 Cb 1.18 2.51 0.14 0.00 -1.52 0.00 0.00 31.29 33.60 3iwk h VAL 394 CO 0.91 0.79 -0.75 0.33 0.02 0.00 0.00 177.57 178.87 3iwk n PHE 395 N -3.68 -2.38 -3.97 1.57 7.35 -1.26 -4.66 117.46 110.44 3iwk n PHE 395 Ca -0.31 0.95 -0.10 0.00 -0.76 0.00 0.00 57.45 57.24 3iwk n PHE 395 Cb 0.98 -4.97 -0.04 0.00 0.35 0.00 0.00 39.48 35.81 3iwk n PHE 395 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 3iwk s GLY 396 N -4.01 0.58 -1.41 7.13 0.00 -1.19 -4.51 107.32 103.91 3iwk s GLY 396 Ca 0.20 -0.89 -0.13 0.00 0.00 0.00 0.00 44.72 43.90 3iwk s GLY 396 CO 0.74 -0.57 2.39 -1.55 0.00 0.00 0.00 173.10 174.11 3iwk n PRO 397 N -0.44 2.91 -3.88 2.90 -0.04 -1.18 -4.55 135.00 130.72 3iwk n PRO 397 Ca -0.02 -2.36 -0.27 0.00 -0.04 0.00 0.00 63.50 60.80 3iwk n PRO 397 Cb 0.61 -3.08 -0.17 0.00 -0.04 0.00 0.00 33.50 30.82 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 3.12 1.00 -0.21 0.52 1.01 -1.26 -0.22 120.40 124.35 3iwk s VAL 398 Ca 0.54 -0.45 -0.05 0.00 0.00 0.00 0.00 61.98 62.01 3iwk s VAL 398 Cb 0.15 -1.13 -0.02 0.00 0.00 0.00 0.00 36.38 35.37 3iwk s VAL 398 CO -0.06 0.20 0.01 -0.22 0.00 0.00 0.00 175.10 175.03 3iwk s LEU 399 N 1.70 3.24 -0.06 3.92 2.96 0.50 -4.86 118.68 126.08 3iwk s LEU 399 Ca 0.02 -0.23 -0.15 0.00 -0.22 0.00 0.00 54.13 53.56 3iwk s LEU 399 Cb -0.14 -1.83 -0.05 0.00 0.50 0.00 0.00 46.19 44.66 3iwk s LEU 399 CO -0.08 0.03 0.39 0.00 -1.32 0.00 0.00 176.35 175.38 3iwk s ALA 400 N 1.19 3.63 -0.11 5.97 0.00 -0.56 -0.05 121.76 131.82 3iwk s ALA 400 Ca 0.03 -0.27 0.03 0.00 0.00 0.00 0.00 51.96 51.75 3iwk s ALA 400 Cb -0.14 -2.44 0.01 0.00 0.00 0.00 0.00 23.12 20.55 3iwk s ALA 400 CO 0.01 0.29 -0.20 0.08 0.00 0.00 0.00 175.76 175.95 3iwk s VAL 401 N -0.36 1.81 0.31 0.00 1.01 -0.23 -0.26 120.40 122.67 3iwk s VAL 401 Ca 0.23 -0.85 0.05 0.00 0.00 0.00 0.00 61.98 61.41 3iwk s VAL 401 Cb -0.15 -1.61 -0.06 0.00 0.00 0.00 0.00 36.38 34.56 3iwk s VAL 401 CO 0.10 0.50 0.00 -0.54 0.00 0.00 0.00 175.10 175.17 3iwk s LYS 402 N 0.72 1.61 0.20 2.72 -0.14 0.04 -3.42 119.74 121.47 3iwk s LYS 402 Ca -0.11 -1.86 0.11 0.00 -1.36 0.00 0.00 55.97 52.74 3iwk s LYS 402 Cb -0.16 -1.02 -0.04 0.00 -1.68 0.00 0.00 37.83 34.92 3iwk s LYS 402 CO 0.02 -0.08 -0.21 -0.08 -0.76 0.00 0.00 175.35 174.23 3iwk s THR 403 N -3.15 2.20 0.19 2.17 -1.32 -1.26 -1.73 115.64 112.73 3iwk s THR 403 Ca 0.33 -2.06 -0.08 0.00 -1.21 0.00 0.00 61.69 58.67 3iwk s THR 403 Cb 0.07 -2.07 -0.02 0.00 -1.51 0.00 0.00 72.50 68.98 3iwk s THR 403 CO 0.14 -0.23 0.28 0.72 -2.21 0.00 0.00 174.62 173.32 3iwk s PHE 404 N -1.94 0.56 0.04 9.09 -0.12 -0.16 -4.86 117.98 120.58 3iwk s PHE 404 Ca 0.21 -0.90 -0.01 0.00 -0.05 0.00 0.00 56.93 56.18 3iwk s PHE 404 Cb -0.07 -0.12 -0.01 0.00 -0.63 0.00 0.00 43.02 42.20 3iwk s PHE 404 CO 0.10 -0.75 -0.02 0.43 -0.05 0.00 0.00 175.22 174.92 3iwk n SER 405 N -0.25 0.78 -4.93 1.98 7.64 -1.26 -0.84 113.62 116.73 3iwk n SER 405 Ca -0.04 0.10 -0.27 0.00 1.01 0.00 0.00 58.87 59.67 3iwk n SER 405 Cb 0.63 -0.25 -0.03 0.00 -1.01 0.00 0.00 64.21 63.56 3iwk n SER 405 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3iwk s THR 406 N -2.05 5.18 0.34 0.44 -4.23 -1.26 -4.94 115.64 109.12 3iwk s THR 406 Ca -0.02 -0.34 0.01 0.00 -1.18 0.00 0.00 61.69 60.16 3iwk s THR 406 Cb 0.01 -3.74 0.26 0.00 1.34 0.00 0.00 72.50 70.36 3iwk s THR 406 CO 0.03 -0.22 2.00 -0.08 -0.54 0.00 0.00 174.62 175.81 3iwk h GLU 407 N 1.87 0.88 -0.43 3.99 4.81 -2.00 -1.92 114.58 121.78 3iwk h GLU 407 Ca -0.48 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 58.63 3iwk h GLU 407 Cb 1.19 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 30.36 3iwk h GLU 407 CO 0.67 0.59 0.03 0.93 -0.73 0.00 0.00 179.01 180.50 3iwk h GLU 408 N 0.90 0.67 -0.10 1.92 3.07 -2.01 -2.66 114.58 116.38 3iwk h GLU 408 Ca 0.24 -0.15 -0.14 0.00 -0.50 0.00 0.00 59.36 58.82 3iwk h GLU 408 Cb -0.09 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 27.72 3iwk h GLU 408 CO -0.05 0.67 -0.54 1.49 -1.40 0.00 0.00 179.01 179.18 3iwk h GLU 409 N 0.64 0.28 -0.16 2.33 4.81 -1.77 -2.75 114.58 117.96 3iwk h GLU 409 Ca 0.13 -0.17 -0.01 0.00 -0.13 0.00 0.00 59.36 59.18 3iwk h GLU 409 Cb 0.35 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 3iwk h GLU 409 CO 0.01 0.75 0.05 0.00 -0.73 0.00 0.00 179.01 179.09 3iwk h ALA 410 N 1.22 0.21 -0.16 2.92 0.00 -1.10 -2.24 119.26 120.10 3iwk h ALA 410 Ca 0.00 -0.12 -0.15 0.00 0.00 0.00 0.00 54.91 54.64 3iwk h ALA 410 Cb 1.02 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 3iwk h ALA 410 CO 0.09 -0.18 -0.52 -0.84 0.00 0.00 0.00 179.25 177.79 3iwk h ILE 411 N 0.08 1.33 -0.50 0.00 -2.65 -1.45 0.67 117.51 114.99 3iwk h ILE 411 Ca 0.05 -1.77 -0.00 0.00 1.03 0.00 0.00 64.86 64.17 3iwk h ILE 411 Cb 0.21 1.78 -0.02 0.00 -2.05 0.00 0.00 36.82 36.74 3iwk h ILE 411 CO -0.00 0.54 0.31 0.78 0.03 0.00 0.00 178.15 179.81 3iwk h ASN 412 N 0.35 0.60 -0.45 2.16 2.35 -1.52 0.12 115.58 119.20 3iwk h ASN 412 Ca 0.01 -0.05 -0.03 0.00 -0.55 0.00 0.00 56.30 55.68 3iwk h ASN 412 Cb 1.04 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 39.23 3iwk h ASN 412 CO 0.09 0.48 0.17 -0.07 -1.65 0.00 0.00 177.43 176.45 3iwk h LEU 413 N 0.68 0.63 -0.73 1.61 3.38 -1.11 -1.72 115.31 118.05 3iwk h LEU 413 Ca 0.18 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 3iwk h LEU 413 Cb -0.02 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 3iwk h LEU 413 CO -0.03 0.64 0.29 0.00 0.09 0.00 0.00 178.44 179.42 3iwk h ALA 414 N 1.02 0.95 -0.05 1.53 0.00 -0.55 -2.25 119.26 119.90 3iwk h ALA 414 Ca 0.15 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3iwk h ALA 414 Cb 0.21 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3iwk h ALA 414 CO -0.01 0.57 0.00 0.09 0.00 0.00 0.00 179.25 179.90 3iwk n ASN 415 N -4.34 0.76 -3.62 0.00 3.02 0.40 -4.60 115.26 106.88 3iwk n ASN 415 Ca 0.06 -1.45 -0.41 0.00 -0.03 0.00 0.00 54.58 52.75 3iwk n ASN 415 Cb 0.18 -0.03 -0.01 0.00 -0.61 0.00 0.00 39.78 39.31 3iwk n ASN 415 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3iwk n ASP 416 N -0.32 4.68 -3.52 6.41 4.64 -0.66 -4.81 116.55 122.97 3iwk n ASP 416 Ca 0.17 -2.75 -0.13 0.00 -1.38 0.00 0.00 54.79 50.70 3iwk n ASP 416 Cb 0.20 -1.56 -0.04 0.00 -1.04 0.00 0.00 41.12 38.68 3iwk n ASP 416 CO 0.00 0.00 0.00 0.28 -0.82 0.00 0.00 177.20 176.66 3iwk s THR 417 N 3.23 0.00 -1.00 5.18 -1.32 -1.26 -4.96 115.64 115.50 3iwk s THR 417 Ca 0.52 0.00 0.26 0.00 -1.21 0.00 0.00 61.69 61.27 3iwk s THR 417 Cb 0.15 -1.00 0.09 0.00 -1.51 0.00 0.00 72.50 70.23 3iwk s THR 417 CO -0.06 0.00 1.60 1.41 -2.21 0.00 0.00 174.62 175.36 3iwk n HIS 418 N 0.47 0.00 -2.18 9.09 8.25 -1.26 -4.90 115.22 124.69 3iwk n HIS 418 Ca -0.14 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.04 3iwk n HIS 418 Cb 0.59 -0.34 0.17 0.00 1.12 0.00 0.00 29.99 31.54 3iwk n HIS 418 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3iwk s TYR 419 N -3.00 1.35 0.00 4.41 1.51 -1.26 -1.20 117.35 119.17 3iwk s TYR 419 Ca 0.12 0.03 0.00 0.00 -1.01 0.00 0.00 57.07 56.21 3iwk s TYR 419 Cb 0.18 -3.78 0.00 0.00 -0.11 0.00 0.00 41.96 38.25 3iwk s TYR 419 CO 0.64 -2.45 0.00 0.41 -1.11 0.00 0.00 175.55 173.04 3iwk n GLY 420 N -3.50 -1.66 0.00 0.71 0.00 -1.23 -4.69 105.19 94.83 3iwk n GLY 420 Ca 0.16 0.81 0.00 0.00 0.00 0.00 0.00 46.02 46.99 3iwk n GLY 420 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3iwk n LEU 421 N 0.00 0.25 -4.96 0.99 7.94 -1.26 -0.39 117.00 119.56 3iwk n LEU 421 Ca 0.00 0.02 -0.23 0.00 -1.11 0.00 0.00 56.01 54.69 3iwk n LEU 421 Cb 0.00 -0.18 0.02 0.00 0.53 0.00 0.00 43.42 43.80 3iwk n LEU 421 CO 0.00 -0.18 0.18 -0.83 -1.11 0.00 0.00 177.39 175.45 3iwk s GLY 422 N -1.66 2.08 -0.29 -3.96 0.00 -1.26 -0.81 107.32 101.43 3iwk s GLY 422 Ca 0.00 -1.66 -0.29 0.00 0.00 0.00 0.00 44.72 42.77 3iwk s GLY 422 CO 0.00 -1.82 1.36 -1.35 0.00 0.00 0.00 173.10 171.29 3iwk s SER 423 N -4.44 -0.04 -0.01 1.64 1.04 -0.48 -4.26 113.70 107.15 3iwk s SER 423 Ca 0.47 0.05 -0.01 0.00 0.48 0.00 0.00 55.95 56.94 3iwk s SER 423 Cb -0.04 0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.12 3iwk s SER 423 CO 0.29 -0.04 0.02 0.00 0.98 0.00 0.00 173.24 174.49 3iwk s ALA 424 N -0.94 -0.03 -0.14 5.32 0.00 -0.02 0.03 121.76 125.98 3iwk s ALA 424 Ca 0.09 0.06 0.02 0.00 0.00 0.00 0.00 51.96 52.13 3iwk s ALA 424 Cb -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.07 3iwk s ALA 424 CO -0.08 -0.01 -0.21 0.08 0.00 0.00 0.00 175.76 175.54 3iwk s VAL 425 N 0.08 2.23 -0.28 0.00 1.01 0.02 0.08 120.40 123.53 3iwk s VAL 425 Ca -0.01 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.05 3iwk s VAL 425 Cb -0.01 -1.90 0.05 0.00 0.00 0.00 0.00 36.38 34.53 3iwk s VAL 425 CO -0.00 0.54 -0.05 -0.04 0.00 0.00 0.00 175.10 175.55 3iwk s MET 426 N 0.72 2.38 -0.28 2.72 -1.94 0.83 -0.17 119.30 123.56 3iwk s MET 426 Ca -0.09 -1.28 -0.24 0.00 -1.71 0.00 0.00 55.69 52.37 3iwk s MET 426 Cb -0.16 -3.05 0.12 0.00 2.01 0.00 0.00 34.83 33.75 3iwk s MET 426 CO 0.01 -0.58 1.00 0.45 -0.01 0.00 0.00 175.02 175.88 3iwk s SER 427 N 1.20 -0.48 0.39 3.03 0.15 -1.26 -1.17 113.70 115.55 3iwk s SER 427 Ca -0.06 0.91 0.19 0.00 0.70 0.00 0.00 55.95 57.69 3iwk s SER 427 Cb -0.20 0.95 0.73 0.00 -1.71 0.00 0.00 66.02 65.79 3iwk s SER 427 CO -0.03 -0.16 1.76 0.78 1.20 0.00 0.00 173.24 176.79 3iwk h ASN 428 N 4.43 0.00 -2.18 5.45 2.35 -1.31 -3.41 115.58 120.92 3iwk h ASN 428 Ca -0.28 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 54.94 3iwk h ASN 428 Cb 1.18 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 39.48 3iwk h ASN 428 CO 0.11 0.35 1.15 -0.62 -1.65 0.00 0.00 177.43 176.77 3iwk s ASP 429 N -6.43 5.95 0.55 5.81 -1.08 -1.26 -4.87 116.67 115.34 3iwk s ASP 429 Ca -0.00 -0.32 0.31 0.00 -0.52 0.00 0.00 52.55 52.02 3iwk s ASP 429 Cb 0.11 -2.55 1.55 0.00 -1.46 0.00 0.00 42.92 40.57 3iwk s ASP 429 CO 0.68 -1.97 2.09 -0.07 0.52 0.00 0.00 175.17 176.42 3iwk h LEU 430 N 13.91 0.00 -0.38 -1.34 3.38 -2.00 -2.20 115.31 126.68 3iwk h LEU 430 Ca -0.24 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.55 3iwk h LEU 430 Cb 1.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.82 3iwk h LEU 430 CO 1.27 0.09 -0.53 -0.08 0.09 0.00 0.00 178.44 179.28 3iwk h GLU 431 N 0.00 0.79 -0.23 1.13 4.81 -1.96 -1.83 114.58 117.28 3iwk h GLU 431 Ca -0.00 -0.48 -0.13 0.00 -0.13 0.00 0.00 59.36 58.62 3iwk h GLU 431 Cb 0.35 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 3iwk h GLU 431 CO 0.01 1.11 -0.38 -0.09 -0.73 0.00 0.00 179.01 178.93 3iwk h ARG 432 N 0.61 0.53 -0.60 1.92 2.43 -1.83 -2.63 114.38 114.81 3iwk h ARG 432 Ca 0.02 -0.26 -0.02 0.00 -0.81 0.00 0.00 59.98 58.91 3iwk h ARG 432 Cb 1.11 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.63 3iwk h ARG 432 CO 0.11 0.83 0.31 0.00 -1.51 0.00 0.00 179.97 179.71 3iwk h GLU 434 N 0.82 0.64 -0.24 0.00 4.81 -1.31 0.71 114.58 120.00 3iwk h GLU 434 Ca 0.21 -0.24 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3iwk h GLU 434 Cb 0.09 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 3iwk h GLU 434 CO -0.03 0.81 0.15 -0.09 -0.73 0.00 0.00 179.01 179.11 3iwk h ARG 435 N 0.56 0.33 -0.11 1.92 2.43 -1.21 -2.52 114.38 115.78 3iwk h ARG 435 Ca 0.08 -0.03 -0.16 0.00 -0.81 0.00 0.00 59.98 59.06 3iwk h ARG 435 Cb 0.68 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.15 3iwk h ARG 435 CO 0.05 0.27 -0.60 -0.07 -1.51 0.00 0.00 179.97 178.11 3iwk h LEU 436 N 0.30 0.44 -1.74 3.80 4.07 -1.06 -2.57 115.31 118.55 3iwk h LEU 436 Ca 0.09 -0.25 -0.00 0.00 0.08 0.00 0.00 57.88 57.79 3iwk h LEU 436 Cb 0.02 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 41.63 3iwk h LEU 436 CO -0.02 0.94 0.11 0.77 -1.08 0.00 0.00 178.44 179.16 3iwk h SER 437 N 0.29 0.25 0.13 -0.43 4.64 -0.75 0.52 113.55 118.19 3iwk h SER 437 Ca -0.01 -0.01 -0.26 0.00 -0.47 0.00 0.00 61.79 61.05 3iwk h SER 437 Cb 1.13 -0.06 0.02 0.00 -0.31 0.00 0.00 62.40 63.17 3iwk h SER 437 CO 0.10 0.21 -1.02 0.11 -0.87 0.00 0.00 176.83 175.35 3iwk h LYS 438 N 0.29 0.60 0.00 4.77 1.57 -1.26 -3.35 116.57 119.19 3iwk h LYS 438 Ca 0.08 -0.66 -0.01 0.00 -1.87 0.00 0.00 60.65 58.19 3iwk h LYS 438 Cb 0.01 0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.51 3iwk h LYS 438 CO -0.01 1.26 -0.45 0.00 -0.57 0.00 0.00 179.45 179.68 3iwk h ALA 439 N 0.51 0.78 -2.29 3.86 0.00 -0.99 -3.46 119.26 117.68 3iwk h ALA 439 Ca -0.12 -0.05 -0.55 0.00 0.00 0.00 0.00 54.91 54.20 3iwk h ALA 439 Cb 1.67 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.45 3iwk h ALA 439 CO 0.19 0.06 0.88 -0.51 0.00 0.00 0.00 179.25 179.87 3iwk s LEU 440 N -5.88 4.28 -1.25 0.00 1.43 0.11 -4.95 118.68 112.42 3iwk s LEU 440 Ca 0.04 1.99 -0.17 0.00 -1.03 0.00 0.00 54.13 54.96 3iwk s LEU 440 Cb 0.07 -3.55 0.10 0.00 0.03 0.00 0.00 46.19 42.84 3iwk s LEU 440 CO 0.72 -0.75 1.62 -1.10 0.23 0.00 0.00 176.35 177.08 3iwk s GLN 441 N 2.97 3.98 0.17 1.70 -0.21 -1.26 -4.90 119.66 122.11 3iwk s GLN 441 Ca 0.62 -2.09 -0.16 0.00 0.02 0.00 0.00 55.36 53.75 3iwk s GLN 441 Cb -0.28 -5.39 0.02 0.00 1.00 0.00 0.00 33.01 28.36 3iwk s GLN 441 CO 0.23 -2.11 0.45 0.00 -2.12 0.00 0.00 175.29 171.74 3iwk s ALA 442 N 3.53 -0.79 -0.20 6.09 0.00 -1.26 -4.45 121.76 124.67 3iwk s ALA 442 Ca 0.50 -0.27 0.17 0.00 0.00 0.00 0.00 51.96 52.35 3iwk s ALA 442 Cb 0.02 0.81 0.09 0.00 0.00 0.00 0.00 23.12 24.03 3iwk s ALA 442 CO 0.04 -0.73 1.40 0.78 0.00 0.00 0.00 175.76 177.26 3iwk h GLY 443 N 2.30 0.00 -5.90 0.00 0.00 -0.68 -3.46 103.07 95.33 3iwk h GLY 443 Ca -0.31 0.00 -0.44 0.00 0.00 0.00 0.00 47.33 46.58 3iwk h GLY 443 CO 0.42 0.00 -0.79 -0.42 0.00 0.00 0.00 176.54 175.75 3iwk s ILE 444 N -3.01 0.77 -0.17 2.60 1.01 0.01 -4.80 121.20 117.61 3iwk s ILE 444 Ca 0.04 -0.29 0.01 0.00 0.00 0.00 0.00 60.65 60.41 3iwk s ILE 444 Cb 0.07 -0.73 0.02 0.00 0.01 0.00 0.00 42.46 41.83 3iwk s ILE 444 CO 0.74 0.26 -0.20 -0.69 0.00 0.00 0.00 174.94 175.06 3iwk s VAL 445 N 0.60 2.00 -0.19 2.92 1.01 -1.26 -1.39 120.40 124.10 3iwk s VAL 445 Ca -0.10 -0.91 -0.10 0.00 0.00 0.00 0.00 61.98 60.87 3iwk s VAL 445 Cb -0.13 -1.81 -0.05 0.00 0.00 0.00 0.00 36.38 34.40 3iwk s VAL 445 CO 0.01 0.53 0.14 0.26 0.00 0.00 0.00 175.10 176.04 3iwk s TRP 446 N 1.22 3.43 -0.22 5.22 0.51 0.10 -4.99 118.94 124.21 3iwk s TRP 446 Ca 0.03 0.36 -0.05 0.00 -2.12 0.00 0.00 56.10 54.31 3iwk s TRP 446 Cb -0.13 -2.15 -0.02 0.00 -0.81 0.00 0.00 33.47 30.35 3iwk s TRP 446 CO -0.11 0.32 -0.00 0.42 -0.51 0.00 0.00 176.95 177.07 3iwk s ILE 447 N 0.27 3.78 -1.37 2.03 1.01 -1.26 -0.80 121.20 124.85 3iwk s ILE 447 Ca 0.09 -0.36 -0.05 0.00 0.00 0.00 0.00 60.65 60.33 3iwk s ILE 447 Cb -0.11 -2.73 0.03 0.00 0.01 0.00 0.00 42.46 39.66 3iwk s ILE 447 CO -0.01 0.41 0.36 0.59 0.00 0.00 0.00 174.94 176.28 3iwk n ASN 448 N 4.63 -4.77 -2.61 3.58 3.02 0.77 -4.91 115.26 114.96 3iwk n ASN 448 Ca -0.17 -0.18 -0.04 0.00 -0.03 0.00 0.00 54.58 54.16 3iwk n ASN 448 Cb 0.51 -3.93 0.02 0.00 -0.61 0.00 0.00 39.78 35.77 3iwk n ASN 448 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3iwk s ALA 450 N -1.79 -1.96 0.00 0.00 0.00 -1.26 -4.68 121.76 112.07 3iwk s ALA 450 Ca 0.16 2.23 0.00 0.00 0.00 0.00 0.00 51.96 54.35 3iwk s ALA 450 Cb -0.03 -1.44 0.00 0.00 0.00 0.00 0.00 23.12 21.65 3iwk s ALA 450 CO 0.06 -0.35 0.00 1.04 0.00 0.00 0.00 175.76 176.51 3iwk n GLN 451 N 3.61 0.00 -1.79 0.00 1.13 -1.26 -4.61 117.38 114.46 3iwk n GLN 451 Ca -0.18 0.00 -0.41 0.00 -1.94 0.00 0.00 57.00 54.47 3iwk n GLN 451 Cb 0.58 -0.11 -0.01 0.00 0.11 0.00 0.00 30.24 30.80 3iwk n GLN 451 CO 0.00 0.00 0.00 -2.14 -1.44 0.00 0.00 177.06 173.48 3iwk s PRO 452 N -0.66 4.12 -0.47 -1.09 0.02 -1.26 -4.97 135.00 130.69 3iwk s PRO 452 Ca 0.00 2.58 0.03 0.00 0.02 0.00 0.00 61.00 63.62 3iwk s PRO 452 Cb 0.00 -3.01 0.13 0.00 0.02 0.00 0.00 34.50 31.64 3iwk s PRO 452 CO 0.00 -0.61 0.25 -1.54 -0.33 0.00 0.00 177.00 174.77 3iwk s SER 453 N 0.34 3.87 0.34 2.53 1.04 -1.26 -5.10 113.70 115.45 3iwk s SER 453 Ca 0.61 -2.78 -0.28 0.00 0.48 0.00 0.00 55.95 53.98 3iwk s SER 453 Cb -0.47 -1.23 -0.09 0.00 0.10 0.00 0.00 66.02 64.32 3iwk s SER 453 CO 0.52 -0.25 1.19 -0.36 0.98 0.00 0.00 173.24 175.32 3iwk s PHE 454 N 0.11 3.23 -0.77 5.02 0.40 -1.26 -4.92 117.98 119.80 3iwk s PHE 454 Ca 0.18 1.55 0.18 0.00 -0.60 0.00 0.00 56.93 58.25 3iwk s PHE 454 Cb -0.24 -3.46 0.78 0.00 0.51 0.00 0.00 43.02 40.61 3iwk s PHE 454 CO -0.00 -1.25 1.57 -0.89 0.70 0.00 0.00 175.22 175.35 3iwk n ILE 455 N 0.69 0.93 0.15 0.64 5.41 -1.26 -2.57 119.36 123.35 3iwk n ILE 455 Ca 0.01 0.24 0.12 0.00 1.00 0.00 0.00 62.75 64.12 3iwk n ILE 455 Cb 0.44 -1.08 0.03 0.00 -0.71 0.00 0.00 39.64 38.32 3iwk n ILE 455 CO 0.00 0.00 0.00 1.56 0.00 0.00 0.00 176.55 178.11 3iwk h GLN 456 N 0.00 0.00 -6.19 0.38 7.50 -1.93 0.14 115.11 115.01 3iwk h GLN 456 Ca 0.00 0.00 -0.66 0.00 0.50 0.00 0.00 58.65 58.49 3iwk h GLN 456 Cb 0.30 0.00 -0.13 0.00 0.05 0.00 0.00 27.48 27.70 3iwk h GLN 456 CO 0.00 0.00 -0.64 0.00 -1.50 0.00 0.00 178.83 176.69 3iwk s ALA 457 N -3.34 3.34 0.28 3.87 0.00 -1.06 -4.20 121.76 120.64 3iwk s ALA 457 Ca 0.01 -0.99 -0.29 0.00 0.00 0.00 0.00 51.96 50.69 3iwk s ALA 457 Cb 0.09 -1.34 -0.10 0.00 0.00 0.00 0.00 23.12 21.78 3iwk s ALA 457 CO 0.78 0.67 1.27 -1.25 0.00 0.00 0.00 175.76 177.23 3iwk s PRO 458 N -1.82 4.42 -0.05 0.00 0.04 -1.26 -3.93 135.00 132.40 3iwk s PRO 458 Ca 0.22 2.09 0.04 0.00 0.04 0.00 0.00 61.00 63.39 3iwk s PRO 458 Cb -0.12 -3.13 -0.00 0.00 0.04 0.00 0.00 34.50 31.29 3iwk s PRO 458 CO 0.13 -0.14 -0.17 -0.46 0.04 0.00 0.00 177.00 176.40 3iwk s TRP 459 N -0.72 1.79 0.00 0.56 -0.11 0.69 -4.94 118.94 116.20 3iwk s TRP 459 Ca 0.51 -0.56 0.00 0.00 1.22 0.00 0.00 56.10 57.27 3iwk s TRP 459 Cb -0.37 -1.21 0.00 0.00 -1.50 0.00 0.00 33.47 30.38 3iwk s TRP 459 CO 0.46 -0.21 0.00 0.41 -4.62 0.00 0.00 176.95 172.99 3iwk n GLY 460 N 3.27 2.19 3.77 5.86 0.00 -1.26 -0.09 105.19 118.92 3iwk n GLY 460 Ca -0.19 -1.14 -0.32 0.00 0.00 0.00 0.00 46.02 44.37 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 2.95 0.44 -0.02 0.00 -1.26 -4.01 107.32 105.41 3iwk s GLY 461 Ca 0.00 -0.51 0.03 0.00 0.00 0.00 0.00 44.72 44.24 3iwk s GLY 461 CO 0.00 -2.17 0.06 -0.26 0.00 0.00 0.00 173.10 170.72 3iwk s ILE 462 N -2.86 1.08 0.00 0.90 -4.36 0.47 -4.09 121.20 112.34 3iwk s ILE 462 Ca 0.09 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.48 3iwk s ILE 462 Cb 0.01 -2.42 0.00 0.00 1.25 0.00 0.00 42.46 41.30 3iwk s ILE 462 CO 0.05 0.00 0.00 0.29 0.24 0.00 0.00 174.94 175.52 3iwk n LYS 463 N -1.02 0.00 -0.06 0.37 5.02 -1.26 -2.06 118.16 119.15 3iwk n LYS 463 Ca -0.10 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.27 3iwk n LYS 463 Cb 0.66 0.00 0.36 0.00 -0.02 0.00 0.00 35.03 36.03 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 1.40 0.00 1.97 1.74 -0.34 -2.75 116.66 132.69 3iwk n ARG 464 Ca 0.00 -0.61 0.14 0.00 -0.77 0.00 0.00 57.85 56.61 3iwk n ARG 464 Cb 0.00 -1.30 0.64 0.00 -1.02 0.00 0.00 32.46 30.79 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 -0.13 0.67 0.00 0.55 7.64 -0.87 -4.64 113.62 116.84 3iwk n SER 465 Ca 0.13 -0.92 0.00 0.00 1.01 0.00 0.00 58.87 59.09 3iwk n SER 465 Cb 0.19 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.37 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 1.20 -0.66 3.46 0.23 0.00 -1.11 -1.35 105.19 106.95 3iwk n GLY 466 Ca 0.17 -2.12 -0.10 0.00 0.00 0.00 0.00 46.02 43.98 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 -0.09 0.00 1.61 -0.71 -0.68 -3.72 117.98 114.39 3iwk s PHE 467 Ca 0.00 -0.25 0.00 0.00 -1.04 0.00 0.00 56.93 55.64 3iwk s PHE 467 Cb 0.00 0.32 0.00 0.00 -1.21 0.00 0.00 43.02 42.13 3iwk s PHE 467 CO 0.00 -0.85 0.00 0.41 -1.34 0.00 0.00 175.22 173.44 3iwk n GLY 468 N -0.30 -0.11 3.26 1.99 0.00 -1.26 -1.74 105.19 107.02 3iwk n GLY 468 Ca -0.11 -1.57 -0.29 0.00 0.00 0.00 0.00 46.02 44.05 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 -3.75 1.88 0.45 1.61 1.81 -1.26 -4.37 118.95 115.31 3iwk s ARG 469 Ca 0.00 -0.83 0.07 0.00 -1.72 0.00 0.00 55.73 53.25 3iwk s ARG 469 Cb 0.00 -1.81 -0.02 0.00 -0.45 0.00 0.00 34.95 32.67 3iwk s ARG 469 CO 0.00 0.50 0.28 -1.21 -0.68 0.00 0.00 175.30 174.18 3iwk s GLU 470 N -0.54 2.30 0.32 3.54 2.02 0.87 -3.66 118.70 123.55 3iwk s GLU 470 Ca 0.09 -1.85 0.00 0.00 0.02 0.00 0.00 54.97 53.23 3iwk s GLU 470 Cb -0.09 -2.08 0.00 0.00 0.10 0.00 0.00 34.13 32.06 3iwk s GLU 470 CO -0.01 -0.28 0.00 1.28 0.02 0.00 0.00 175.26 176.27 3iwk n LEU 471 N -1.45 -0.54 0.00 1.80 4.77 -1.26 -0.22 117.00 120.09 3iwk n LEU 471 Ca -0.01 1.26 0.00 0.00 -0.03 0.00 0.00 56.01 57.23 3iwk n LEU 471 Cb 0.64 -1.93 0.00 0.00 -2.33 0.00 0.00 43.42 39.80 3iwk n LEU 471 CO 0.43 -1.31 0.00 0.61 -1.33 0.00 0.00 177.39 175.79 3iwk n GLY 472 N -3.35 0.91 0.23 -0.72 0.00 0.48 -0.98 105.19 101.77 3iwk n GLY 472 Ca -0.04 -0.77 0.12 0.00 0.00 0.00 0.00 46.02 45.33 3iwk n GLY 472 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3iwk h GLU 473 N 0.00 0.00 -0.53 1.61 5.08 -1.88 -3.13 114.58 115.73 3iwk h GLU 473 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3iwk h GLU 473 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 3iwk h GLU 473 CO 0.00 0.13 0.26 -1.49 -1.00 0.00 0.00 179.01 176.91 3iwk h TRP 474 N 0.00 0.76 -0.96 4.33 6.55 -1.87 -1.38 115.95 123.37 3iwk h TRP 474 Ca -0.00 -0.03 0.14 0.00 0.95 0.00 0.00 58.89 59.94 3iwk h TRP 474 Cb 0.78 -0.24 -0.09 0.00 -0.86 0.00 0.00 29.16 28.75 3iwk h TRP 474 CO 0.00 0.59 0.58 0.78 -1.05 0.00 0.00 178.44 179.34 3iwk h GLY 475 N 0.71 1.60 0.86 1.49 0.00 -1.00 -1.65 103.07 105.09 3iwk h GLY 475 Ca 0.18 -0.38 -0.04 0.00 0.00 0.00 0.00 47.33 47.10 3iwk h GLY 475 CO -0.02 0.08 0.03 -2.00 0.00 0.00 0.00 176.54 174.62 3iwk h LEU 476 N 0.87 0.43 -1.87 3.11 6.46 -1.55 -3.15 115.31 119.62 3iwk h LEU 476 Ca 0.50 -0.28 0.06 0.00 -0.12 0.00 0.00 57.88 58.04 3iwk h LEU 476 Cb 0.59 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 40.39 3iwk h LEU 476 CO -0.30 0.61 0.21 -0.33 -0.62 0.00 0.00 178.44 178.00 3iwk h GLU 477 N 0.24 0.16 -0.05 1.25 4.39 -0.54 -1.77 114.58 118.27 3iwk h GLU 477 Ca 0.08 -0.01 0.01 0.00 0.34 0.00 0.00 59.36 59.78 3iwk h GLU 477 Cb 0.37 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.98 3iwk h GLU 477 CO 0.01 0.10 0.11 -0.97 -1.16 0.00 0.00 179.01 177.11 3iwk h ASN 478 N 0.16 0.00 -0.09 1.42 -1.24 -1.28 -2.10 115.58 112.46 3iwk h ASN 478 Ca 0.14 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.15 3iwk h ASN 478 Cb 0.33 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.38 3iwk h ASN 478 CO -0.02 0.00 0.00 -1.22 -1.29 0.00 0.00 177.43 174.90 3iwk n TYR 479 N -3.38 0.15 -4.18 0.67 4.02 -0.67 -4.99 117.16 108.78 3iwk n TYR 479 Ca -0.02 -0.58 -0.30 0.00 -0.01 0.00 0.00 57.90 56.99 3iwk n TYR 479 Cb 0.20 -0.07 -0.09 0.00 -0.02 0.00 0.00 39.34 39.36 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 -1.33 3.22 0.03 7.72 1.43 -0.79 -1.06 118.68 127.91 3iwk s LEU 480 Ca 0.11 -0.30 0.08 0.00 -1.03 0.00 0.00 54.13 53.00 3iwk s LEU 480 Cb 0.08 -1.99 -0.03 0.00 0.03 0.00 0.00 46.19 44.28 3iwk s LEU 480 CO 0.04 0.18 -0.24 -0.94 0.23 0.00 0.00 176.35 175.62 3iwk s SER 481 N -2.25 3.29 -0.09 2.29 1.04 0.15 -4.71 113.70 113.42 3iwk s SER 481 Ca 0.23 -0.53 -0.22 0.00 0.48 0.00 0.00 55.95 55.91 3iwk s SER 481 Cb -0.11 -0.37 -0.04 0.00 0.10 0.00 0.00 66.02 65.60 3iwk s SER 481 CO 0.16 0.27 0.65 -0.69 0.98 0.00 0.00 173.24 174.61 3iwk s VAL 482 N -0.79 5.07 -0.17 5.02 1.01 -1.26 -1.69 120.40 127.59 3iwk s VAL 482 Ca 0.12 1.33 -0.01 0.00 0.00 0.00 0.00 61.98 63.42 3iwk s VAL 482 Cb -0.10 -3.99 -0.01 0.00 0.00 0.00 0.00 36.38 32.28 3iwk s VAL 482 CO 0.02 0.25 -0.11 -0.75 0.00 0.00 0.00 175.10 174.51 3iwk s LYS 483 N 0.88 3.32 -0.14 2.72 2.20 0.07 -4.98 119.74 123.81 3iwk s LYS 483 Ca 0.34 -0.69 -0.22 0.00 -0.36 0.00 0.00 55.97 55.05 3iwk s LYS 483 Cb -0.17 -2.74 -0.03 0.00 -1.51 0.00 0.00 37.83 33.38 3iwk s LYS 483 CO 0.16 0.01 0.65 -1.14 -0.36 0.00 0.00 175.35 174.68 3iwk s GLN 484 N 0.86 4.32 -0.30 4.03 0.74 -1.26 -0.74 119.66 127.31 3iwk s GLN 484 Ca -0.03 0.73 0.01 0.00 0.05 0.00 0.00 55.36 56.12 3iwk s GLN 484 Cb -0.15 -3.51 0.07 0.00 1.10 0.00 0.00 33.01 30.52 3iwk s GLN 484 CO 0.00 -0.08 -0.01 0.08 -0.55 0.00 0.00 175.29 174.73 3iwk s VAL 485 N 1.35 2.53 -0.13 1.34 1.01 -0.09 -5.00 120.40 121.40 3iwk s VAL 485 Ca 0.32 -1.77 0.00 0.00 0.00 0.00 0.00 61.98 60.54 3iwk s VAL 485 Cb -0.16 -2.59 -0.01 0.00 0.00 0.00 0.00 36.38 33.62 3iwk s VAL 485 CO 0.13 -0.24 -0.14 -0.89 0.00 0.00 0.00 175.10 173.96 3iwk s THR 486 N 1.10 2.93 -0.08 3.92 2.01 -1.26 -1.29 115.64 122.97 3iwk s THR 486 Ca -0.02 -0.70 0.04 0.00 0.31 0.00 0.00 61.69 61.31 3iwk s THR 486 Cb -0.20 -2.22 0.00 0.00 0.01 0.00 0.00 72.50 70.09 3iwk s THR 486 CO -0.05 0.53 -0.19 -0.60 -0.69 0.00 0.00 174.62 173.62 3iwk s ARG 487 N 0.39 2.36 -0.12 4.92 3.52 0.35 -4.98 118.95 125.39 3iwk s ARG 487 Ca -0.11 -0.68 -0.30 0.00 -0.13 0.00 0.00 55.73 54.52 3iwk s ARG 487 Cb -0.16 -1.87 -0.02 0.00 -1.56 0.00 0.00 34.95 31.35 3iwk s ARG 487 CO 0.06 0.14 1.12 -0.47 -0.81 0.00 0.00 175.30 175.34 3iwk s TYR 488 N 0.39 3.26 -0.22 5.12 5.04 -1.26 -1.02 117.35 128.65 3iwk s TYR 488 Ca -0.14 1.34 0.10 0.00 -2.44 0.00 0.00 57.07 55.93 3iwk s TYR 488 Cb -0.16 -3.34 -0.14 0.00 0.35 0.00 0.00 41.96 38.67 3iwk s TYR 488 CO 0.06 -0.90 0.32 -2.37 -1.34 0.00 0.00 175.55 171.32 3iwk n THR 489 N 4.85 0.00 -1.95 4.34 5.66 0.21 -4.97 114.28 122.41 3iwk n THR 489 Ca 0.11 -0.25 -0.32 0.00 -3.05 0.00 0.00 64.05 60.54 3iwk n THR 489 Cb 0.47 0.59 0.01 0.00 -1.55 0.00 0.00 70.33 69.85 3iwk n THR 489 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 3iwk s SER 490 N -2.66 5.91 0.00 1.09 0.15 -1.15 -4.97 113.70 112.07 3iwk s SER 490 Ca -0.00 1.65 0.25 0.00 0.70 0.00 0.00 55.95 58.54 3iwk s SER 490 Cb 0.07 -2.51 0.41 0.00 -1.71 0.00 0.00 66.02 62.29 3iwk s SER 490 CO 0.43 -1.08 1.37 -0.67 1.20 0.00 0.00 173.24 174.49 3iwk n ASP 491 N -2.37 2.02 -4.80 5.45 2.03 -1.26 -4.98 116.55 112.64 3iwk n ASP 491 Ca 0.07 -1.54 -0.34 0.00 0.52 0.00 0.00 54.79 53.51 3iwk n ASP 491 Cb 0.53 0.17 -0.02 0.00 -0.72 0.00 0.00 41.12 41.08 3iwk n ASP 491 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 3iwk s GLU 492 N -2.24 3.67 0.45 -0.67 2.56 -1.26 -5.03 118.70 116.18 3iwk s GLU 492 Ca 0.26 1.30 -0.24 0.00 0.00 0.00 0.00 54.97 56.30 3iwk s GLU 492 Cb 0.19 -2.08 -0.07 0.00 2.00 0.00 0.00 34.13 34.17 3iwk s GLU 492 CO 0.43 -0.53 1.21 -2.14 -0.56 0.00 0.00 175.26 173.67 3iwk s PRO 493 N -3.50 3.76 0.28 4.30 0.02 -1.26 -4.94 135.00 133.67 3iwk s PRO 493 Ca 0.66 1.91 0.02 0.00 0.02 0.00 0.00 61.00 63.61 3iwk s PRO 493 Cb -0.16 -2.49 0.62 0.00 0.02 0.00 0.00 34.50 32.48 3iwk s PRO 493 CO 0.25 -0.59 1.78 2.35 -0.33 0.00 0.00 177.00 180.47 3iwk h TRP 494 N 2.18 0.96 -0.54 6.54 -0.00 -1.99 -3.46 115.95 119.64 3iwk h TRP 494 Ca -0.49 0.03 -0.13 0.00 -0.00 0.00 0.00 58.89 58.30 3iwk h TRP 494 Cb 1.25 -0.29 -0.04 0.00 -0.00 0.00 0.00 29.16 30.09 3iwk h TRP 494 CO 0.53 0.26 -0.14 0.41 -0.00 0.00 0.00 178.44 179.49 3iwk n GLY 495 N -1.33 0.59 0.10 2.65 0.00 -1.26 -4.94 105.19 101.00 3iwk n GLY 495 Ca 0.20 -0.70 -0.20 0.00 0.00 0.00 0.00 46.02 45.32 3iwk n GLY 495 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 3iwk h TRP 496 N 0.00 0.13 -2.79 1.61 2.91 -2.04 -3.48 115.95 112.29 3iwk h TRP 496 Ca -0.14 -0.10 -0.49 0.00 1.13 0.00 0.00 58.89 59.29 3iwk h TRP 496 Cb 0.68 -0.01 -0.00 0.00 -0.51 0.00 0.00 29.16 29.33 3iwk h TRP 496 CO 0.18 1.41 -0.24 0.71 -1.03 0.00 0.00 178.44 179.47 3iwk s TYR 497 N -2.37 3.49 -0.22 2.65 2.02 -1.26 -5.06 117.35 116.60 3iwk s TYR 497 Ca -0.24 0.34 -0.29 0.00 -0.37 0.00 0.00 57.07 56.51 3iwk s TYR 497 Cb 0.04 -1.88 -0.01 0.00 -0.40 0.00 0.00 41.96 39.71 3iwk s TYR 497 CO 0.66 0.22 1.30 -0.65 -1.57 0.00 0.00 175.55 175.51 3iwk s GLN 498 N -3.97 4.08 0.46 -0.62 -1.52 -1.26 -5.01 119.66 111.81 3iwk s GLN 498 Ca 0.39 1.50 -0.25 0.00 -1.95 0.00 0.00 55.36 55.06 3iwk s GLN 498 Cb -0.10 -3.83 -0.08 0.00 -0.22 0.00 0.00 33.01 28.79 3iwk s GLN 498 CO 0.33 -0.90 1.40 -1.25 -0.25 0.00 0.00 175.29 174.61 3iwk s PRO 499 N 3.83 3.66 0.34 2.91 0.04 -1.26 -4.96 135.00 139.55 3iwk s PRO 499 Ca 0.56 2.35 -0.29 0.00 0.04 0.00 0.00 61.00 63.67 3iwk s PRO 499 Cb -0.20 -2.62 -0.10 0.00 0.04 0.00 0.00 34.50 31.62 3iwk s PRO 499 CO 0.19 -0.82 1.30 -1.25 0.04 0.00 0.00 177.00 176.47 3iwk s PRO 500 N -2.48 4.34 0.20 0.56 0.04 -1.26 -4.97 135.00 131.43 3iwk s PRO 500 Ca 0.62 2.21 -0.30 0.00 0.04 0.00 0.00 61.00 63.57 3iwk s PRO 500 Cb -0.42 -3.05 -0.08 0.00 0.04 0.00 0.00 34.50 30.98 3iwk s PRO 500 CO 0.54 -0.20 1.20 0.45 0.04 0.00 0.00 177.00 179.03 3iwk s SER 501 N -0.51 7.07 0.00 6.66 0.15 -1.26 -5.33 113.70 120.48 3iwk s SER 501 Ca 0.49 2.27 0.28 0.00 0.70 0.00 0.00 55.95 59.70 3iwk s SER 501 Cb -0.40 -2.61 1.10 0.00 -1.71 0.00 0.00 66.02 62.40 3iwk s SER 501 CO 0.53 -0.37 1.77 0.29 1.20 0.00 0.00 173.24 176.65