#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 6.41 0.32 -3.46 0.01 -1.26 -5.04 113.70 110.68 3iwk s SER 7 Ca 0.00 -0.13 0.06 0.00 1.31 0.00 0.00 55.95 57.18 3iwk s SER 7 Cb 0.00 -2.45 -0.01 0.00 0.21 0.00 0.00 66.02 63.77 3iwk s SER 7 CO 0.00 -1.18 0.46 -0.13 0.41 0.00 0.00 173.24 172.80 3iwk s ARG 8 N 3.95 3.20 0.00 12.44 0.52 -1.26 -5.13 118.95 132.67 3iwk s ARG 8 Ca 0.34 -0.90 0.00 0.00 -0.52 0.00 0.00 55.73 54.65 3iwk s ARG 8 Cb -0.11 -2.82 0.00 0.00 0.52 0.00 0.00 34.95 32.54 3iwk s ARG 8 CO 0.22 0.13 0.00 0.94 0.02 0.00 0.00 175.30 176.62 3iwk n GLN 9 N -1.62 3.45 -2.87 3.54 -0.06 -1.26 -4.42 117.38 114.14 3iwk n GLN 9 Ca -0.02 0.00 -0.37 0.00 -2.00 0.00 0.00 57.00 54.61 3iwk n GLN 9 Cb 0.58 0.00 -0.06 0.00 -4.06 0.00 0.00 30.24 26.69 3iwk n GLN 9 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 3iwk s LEU 10 N 0.00 4.36 -0.49 1.69 1.43 -0.28 -4.84 118.68 120.55 3iwk s LEU 10 Ca 0.00 1.72 -0.13 0.00 -1.03 0.00 0.00 54.13 54.69 3iwk s LEU 10 Cb 0.00 -3.87 0.10 0.00 0.03 0.00 0.00 46.19 42.46 3iwk s LEU 10 CO 0.00 -0.02 0.40 0.12 0.23 0.00 0.00 176.35 177.07 3iwk s PHE 11 N -1.56 3.30 -0.05 0.29 5.36 -0.82 0.25 117.98 124.75 3iwk s PHE 11 Ca 0.48 -1.36 0.01 0.00 -0.96 0.00 0.00 56.93 55.10 3iwk s PHE 11 Cb -0.18 -3.42 0.02 0.00 -0.34 0.00 0.00 43.02 39.09 3iwk s PHE 11 CO 0.23 -0.93 -0.04 0.42 -1.46 0.00 0.00 175.22 173.45 3iwk s ILE 12 N 1.53 0.51 -1.49 3.12 1.01 -0.31 -0.23 121.20 125.34 3iwk s ILE 12 Ca 0.04 -0.08 -0.12 0.00 0.00 0.00 0.00 60.65 60.48 3iwk s ILE 12 Cb -0.26 -0.55 0.06 0.00 0.01 0.00 0.00 42.46 41.72 3iwk s ILE 12 CO 0.03 0.23 1.00 -0.67 0.00 0.00 0.00 174.94 175.53 3iwk n ASP 13 N 4.20 -5.26 -0.04 3.58 2.03 -1.26 -1.96 116.55 117.84 3iwk n ASP 13 Ca -0.22 -0.68 -0.00 0.00 0.52 0.00 0.00 54.79 54.40 3iwk n ASP 13 Cb 0.51 -4.18 -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 -1.75 0.47 3.19 0.27 0.00 -1.26 -4.45 105.19 101.66 3iwk n GLY 14 Ca 0.03 -0.26 -0.12 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.69 0.88 -0.19 1.61 2.02 -0.83 -4.92 118.70 116.57 3iwk s GLU 15 Ca 0.00 -1.31 -0.23 0.00 0.02 0.00 0.00 54.97 53.45 3iwk s GLU 15 Cb 0.00 -0.36 -0.02 0.00 0.10 0.00 0.00 34.13 33.85 3iwk s GLU 15 CO 0.00 0.02 0.72 -1.58 0.02 0.00 0.00 175.26 174.45 3iwk s TRP 16 N -3.29 3.38 -0.10 1.61 0.52 -1.26 -1.16 118.94 118.65 3iwk s TRP 16 Ca 0.11 1.07 0.02 0.00 0.02 0.00 0.00 56.10 57.32 3iwk s TRP 16 Cb 0.03 -2.90 0.01 0.00 -1.15 0.00 0.00 33.47 29.45 3iwk s TRP 16 CO -0.03 -0.22 -0.17 1.03 0.02 0.00 0.00 176.95 177.58 3iwk s ARG 17 N 2.10 2.32 0.24 4.98 1.81 0.14 -4.92 118.95 125.61 3iwk s ARG 17 Ca 0.33 -0.61 -0.30 0.00 -1.72 0.00 0.00 55.73 53.43 3iwk s ARG 17 Cb -0.16 -1.89 -0.09 0.00 -0.45 0.00 0.00 34.95 32.35 3iwk s ARG 17 CO 0.11 0.01 1.36 0.08 -0.68 0.00 0.00 175.30 176.18 3iwk s VAL 18 N 0.77 2.92 0.30 3.52 1.01 -1.26 -1.13 120.40 126.53 3iwk s VAL 18 Ca -0.11 0.78 -0.29 0.00 0.00 0.00 0.00 61.98 62.36 3iwk s VAL 18 Cb -0.16 -3.50 -0.13 0.00 0.00 0.00 0.00 36.38 32.59 3iwk s VAL 18 CO 0.02 0.13 1.32 -2.65 0.00 0.00 0.00 175.10 173.92 3iwk n PRO 19 N 2.27 2.06 -0.12 2.72 -0.02 -1.26 -4.87 135.00 135.78 3iwk n PRO 19 Ca 0.06 0.73 0.12 0.00 -2.02 0.00 0.00 63.50 62.39 3iwk n PRO 19 Cb 0.42 -2.32 0.49 0.00 -0.02 0.00 0.00 33.50 32.06 3iwk n PRO 19 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3iwk h ILE 20 N 2.69 0.88 -0.37 4.25 2.04 -1.93 0.14 117.51 125.21 3iwk h ILE 20 Ca -0.45 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.25 3iwk h ILE 20 Cb 1.28 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.75 3iwk h ILE 20 CO 0.67 0.08 0.00 0.18 0.00 0.00 0.00 178.15 179.08 3iwk n LEU 21 N -4.47 3.07 -4.12 1.44 4.32 -1.26 -4.99 117.00 110.98 3iwk n LEU 21 Ca 0.11 -1.34 -0.32 0.00 -0.02 0.00 0.00 56.01 54.44 3iwk n LEU 21 Cb 0.41 -0.24 -0.03 0.00 -1.62 0.00 0.00 43.42 41.94 3iwk n LEU 21 CO 0.33 0.67 -0.14 -3.20 -1.22 0.00 0.00 177.39 173.84 3iwk n ASN 22 N 1.23 -1.85 -4.93 -1.43 2.85 0.48 -4.98 115.26 106.63 3iwk n ASN 22 Ca 0.19 -1.03 -0.28 0.00 -0.11 0.00 0.00 54.58 53.35 3iwk n ASN 22 Cb 0.54 -2.80 -0.03 0.00 1.24 0.00 0.00 39.78 38.72 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 -6.82 3.47 0.02 1.20 1.02 -1.26 -5.02 119.74 112.35 3iwk s LYS 23 Ca 0.40 -0.47 0.00 0.00 0.02 0.00 0.00 55.97 55.93 3iwk s LYS 23 Cb -0.22 -2.94 -0.02 0.00 -0.52 0.00 0.00 37.83 34.13 3iwk s LYS 23 CO 0.92 0.51 -0.03 1.03 -0.92 0.00 0.00 175.35 176.85 3iwk s ARG 24 N -3.06 0.29 -0.20 1.68 0.52 -1.26 -1.29 118.95 115.63 3iwk s ARG 24 Ca 0.36 -0.54 -0.05 0.00 -0.52 0.00 0.00 55.73 54.98 3iwk s ARG 24 Cb -0.12 0.06 -0.02 0.00 0.52 0.00 0.00 34.95 35.39 3iwk s ARG 24 CO 0.28 -0.03 -0.00 0.42 0.02 0.00 0.00 175.30 175.99 3iwk s ILE 25 N -1.25 3.97 0.31 1.52 1.01 0.29 -4.87 121.20 122.18 3iwk s ILE 25 Ca -0.13 -0.31 -0.30 0.00 0.00 0.00 0.00 60.65 59.91 3iwk s ILE 25 Cb -0.09 -2.79 -0.12 0.00 0.01 0.00 0.00 42.46 39.47 3iwk s ILE 25 CO -0.01 0.43 1.53 -2.65 0.00 0.00 0.00 174.94 174.25 3iwk n PRO 26 N 4.19 2.58 -4.25 2.79 -0.02 -1.26 -1.42 135.00 137.61 3iwk n PRO 26 Ca -0.17 0.91 -0.34 0.00 -2.02 0.00 0.00 63.50 61.88 3iwk n PRO 26 Cb 0.52 -2.66 -0.12 0.00 -0.02 0.00 0.00 33.50 31.22 3iwk n PRO 26 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3iwk s ASN 27 N 0.30 4.84 -0.12 2.55 2.47 0.23 -4.89 114.94 120.32 3iwk s ASN 27 Ca 0.62 -0.15 0.01 0.00 0.42 0.00 0.00 52.86 53.76 3iwk s ASN 27 Cb -0.52 -1.81 -0.01 0.00 -1.45 0.00 0.00 41.25 37.47 3iwk s ASN 27 CO 0.52 0.12 -0.17 -0.63 -3.72 0.00 0.00 177.10 173.23 3iwk s ILE 28 N 0.63 2.69 -0.24 -5.21 1.01 -1.26 -1.35 121.20 117.47 3iwk s ILE 28 Ca -0.01 -0.79 -0.29 0.00 0.00 0.00 0.00 60.65 59.56 3iwk s ILE 28 Cb -0.14 -2.10 -0.02 0.00 0.01 0.00 0.00 42.46 40.21 3iwk s ILE 28 CO 0.02 0.54 1.54 0.21 0.00 0.00 0.00 174.94 177.25 3iwk s ASN 29 N 0.39 6.45 0.43 3.58 3.04 -0.34 -4.90 114.94 123.58 3iwk s ASN 29 Ca -0.13 1.53 0.30 0.00 0.04 0.00 0.00 52.86 54.59 3iwk s ASN 29 Cb -0.17 -2.53 1.31 0.00 -1.54 0.00 0.00 41.25 38.32 3iwk s ASN 29 CO 0.06 -1.22 1.89 1.55 -3.04 0.00 0.00 177.10 176.35 3iwk h PRO 30 N 10.39 0.00 0.00 0.43 0.13 -1.81 0.24 132.00 141.38 3iwk h PRO 30 Ca -0.32 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.71 3iwk h PRO 30 Cb 1.14 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.26 3iwk h PRO 30 CO 1.01 0.00 -0.58 1.03 -0.23 0.00 0.00 178.00 179.23 3iwk h SER 31 N 0.00 0.00 0.00 1.44 0.87 -1.90 -1.32 113.55 112.63 3iwk h SER 31 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3iwk h SER 31 Cb 0.37 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.33 3iwk h SER 31 CO 0.00 0.46 -0.27 0.35 -0.53 0.00 0.00 176.83 176.84 3iwk n THR 32 N -3.16 0.00 -0.85 2.23 -2.24 -1.06 -4.01 114.28 105.19 3iwk n THR 32 Ca 0.01 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 3iwk n THR 32 Cb 0.73 0.79 0.00 0.00 -2.10 0.00 0.00 70.33 69.75 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 -0.92 -0.15 -3.11 -0.78 1.02 0.81 -4.65 120.64 112.87 3iwk n GLU 33 Ca 0.00 0.04 -0.33 0.00 -0.02 0.00 0.00 57.16 56.85 3iwk n GLU 33 Cb 0.00 -3.36 -0.06 0.00 -0.02 0.00 0.00 31.44 28.00 3iwk n GLU 33 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 3iwk s ASN 34 N -2.50 6.81 0.16 1.62 0.01 -1.25 -4.83 114.94 114.96 3iwk s ASN 34 Ca 0.00 1.33 -0.31 0.00 -0.71 0.00 0.00 52.86 53.17 3iwk s ASN 34 Cb 0.00 -2.39 -0.09 0.00 0.41 0.00 0.00 41.25 39.18 3iwk s ASN 34 CO 0.00 -0.20 1.44 -0.63 -1.51 0.00 0.00 177.10 176.19 3iwk s ILE 35 N -1.97 3.02 0.00 0.60 1.01 -1.26 -1.20 121.20 121.40 3iwk s ILE 35 Ca 0.54 0.76 0.00 0.00 0.00 0.00 0.00 60.65 61.95 3iwk s ILE 35 Cb -0.11 -3.48 0.00 0.00 0.01 0.00 0.00 42.46 38.88 3iwk s ILE 35 CO 0.17 0.07 0.40 0.00 0.00 0.00 0.00 174.94 175.58 3iwk n ILE 36 N 3.59 0.00 -3.92 2.92 3.06 -0.46 -4.90 119.36 119.65 3iwk n ILE 36 Ca 0.11 -0.45 0.00 0.00 -2.50 0.00 0.00 62.75 59.91 3iwk n ILE 36 Cb 0.41 1.09 0.00 0.00 0.54 0.00 0.00 39.64 41.68 3iwk n ILE 36 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3iwk n GLY 37 N 0.10 -0.82 3.38 4.50 0.00 -1.22 -5.03 105.19 106.11 3iwk n GLY 37 Ca 0.00 -1.12 -0.10 0.00 0.00 0.00 0.00 46.02 44.80 3iwk n GLY 37 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3iwk s ASP 38 N -4.00 -0.01 0.07 1.61 1.47 -1.26 -0.60 116.67 113.95 3iwk s ASP 38 Ca 0.00 -0.84 0.04 0.00 1.18 0.00 0.00 52.55 52.94 3iwk s ASP 38 Cb 0.00 0.47 -0.03 0.00 -0.34 0.00 0.00 42.92 43.02 3iwk s ASP 38 CO 0.00 -0.93 -0.13 0.27 0.68 0.00 0.00 175.17 175.06 3iwk s ILE 39 N -3.96 0.99 0.39 2.11 -4.36 -0.51 -4.82 121.20 111.04 3iwk s ILE 39 Ca 0.17 -1.28 -0.27 0.00 -0.26 0.00 0.00 60.65 59.02 3iwk s ILE 39 Cb 0.02 -0.99 -0.09 0.00 1.25 0.00 0.00 42.46 42.65 3iwk s ILE 39 CO 0.01 -0.27 1.31 -2.16 0.24 0.00 0.00 174.94 174.07 3iwk s PRO 40 N -1.75 4.07 -0.58 0.37 0.04 -1.26 -0.55 135.00 135.34 3iwk s PRO 40 Ca -0.03 2.19 -0.08 0.00 0.04 0.00 0.00 61.00 63.12 3iwk s PRO 40 Cb -0.10 -2.84 0.15 0.00 0.04 0.00 0.00 34.50 31.75 3iwk s PRO 40 CO 0.02 -0.42 0.44 0.00 0.04 0.00 0.00 177.00 177.08 3iwk s ALA 41 N -1.23 3.57 0.42 8.56 0.00 -0.41 -3.62 121.76 129.05 3iwk s ALA 41 Ca 0.55 -2.91 -0.24 0.00 0.00 0.00 0.00 51.96 49.35 3iwk s ALA 41 Cb -0.39 -2.87 -0.08 0.00 0.00 0.00 0.00 23.12 19.78 3iwk s ALA 41 CO 0.50 -2.03 1.17 0.00 0.00 0.00 0.00 175.76 175.40 3iwk s ALA 42 N 0.67 3.09 0.47 0.00 0.00 0.39 -4.48 121.76 121.90 3iwk s ALA 42 Ca 0.12 0.96 0.04 0.00 0.00 0.00 0.00 51.96 53.07 3iwk s ALA 42 Cb -0.21 -3.38 -0.03 0.00 0.00 0.00 0.00 23.12 19.49 3iwk s ALA 42 CO -0.03 -0.58 0.04 -0.08 0.00 0.00 0.00 175.76 175.11 3iwk s THR 43 N -1.46 1.54 0.27 0.00 -1.32 -1.26 -3.69 115.64 109.71 3iwk s THR 43 Ca 0.59 -1.95 -0.02 0.00 -1.21 0.00 0.00 61.69 59.11 3iwk s THR 43 Cb -0.30 -2.49 0.29 0.00 -1.51 0.00 0.00 72.50 68.49 3iwk s THR 43 CO 0.37 0.00 1.65 0.50 -2.21 0.00 0.00 174.62 174.93 3iwk h LYS 44 N 1.45 0.18 -0.06 7.08 3.64 -1.94 -0.42 116.57 126.49 3iwk h LYS 44 Ca -0.43 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 58.86 3iwk h LYS 44 Cb 1.29 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 33.05 3iwk h LYS 44 CO 0.75 0.12 -0.30 0.93 -2.27 0.00 0.00 179.45 178.68 3iwk h GLU 45 N 0.19 0.11 -0.45 1.90 5.08 -2.00 -1.03 114.58 118.38 3iwk h GLU 45 Ca 0.49 -0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.67 3iwk h GLU 45 Cb 0.92 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.15 3iwk h GLU 45 CO -0.64 0.41 -0.25 -0.44 -1.00 0.00 0.00 179.01 177.09 3iwk h ASP 46 N 0.10 0.99 -0.47 1.42 3.45 -1.50 -3.07 116.42 117.35 3iwk h ASP 46 Ca 0.01 -0.41 -0.02 0.00 0.43 0.00 0.00 57.03 57.04 3iwk h ASP 46 Cb 0.59 -0.28 -0.02 0.00 -0.56 0.00 0.00 39.33 39.07 3iwk h ASP 46 CO 0.04 1.19 0.21 0.58 -1.57 0.00 0.00 179.24 179.69 3iwk h VAL 47 N 0.80 1.20 -0.67 -1.35 2.07 -0.84 -2.30 116.25 115.16 3iwk h VAL 47 Ca 0.10 -0.58 0.14 0.00 0.82 0.00 0.00 66.70 67.17 3iwk h VAL 47 Cb 0.83 0.71 -0.10 0.00 -1.52 0.00 0.00 31.29 31.21 3iwk h VAL 47 CO 0.07 0.22 0.15 0.44 0.02 0.00 0.00 177.57 178.47 3iwk h ASP 48 N 0.61 -0.01 0.24 0.57 3.32 -1.23 0.13 116.42 120.06 3iwk h ASP 48 Ca 0.16 0.13 -0.09 0.00 0.02 0.00 0.00 57.03 57.25 3iwk h ASP 48 Cb 0.15 0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 3iwk h ASP 48 CO -0.02 -0.02 -0.35 -0.07 -1.72 0.00 0.00 179.24 177.06 3iwk h LEU 49 N 0.26 0.17 -0.12 1.55 3.38 -1.41 -0.97 115.31 118.18 3iwk h LEU 49 Ca 0.36 -0.06 -0.23 0.00 0.09 0.00 0.00 57.88 58.04 3iwk h LEU 49 Cb 0.58 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.30 3iwk h LEU 49 CO -0.46 0.52 -0.83 0.00 0.09 0.00 0.00 178.44 177.76 3iwk h ALA 50 N 1.49 0.26 -0.37 1.53 0.00 -0.68 -2.41 119.26 119.08 3iwk h ALA 50 Ca 0.02 -0.62 -0.17 0.00 0.00 0.00 0.00 54.91 54.14 3iwk h ALA 50 Cb 0.70 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 3iwk h ALA 50 CO 0.05 0.67 -0.42 0.28 0.00 0.00 0.00 179.25 179.84 3iwk h VAL 51 N 0.50 1.27 -0.50 0.00 2.07 -0.58 -2.60 116.25 116.41 3iwk h VAL 51 Ca -0.07 -1.59 0.02 0.00 0.82 0.00 0.00 66.70 65.88 3iwk h VAL 51 Cb 1.47 1.42 -0.03 0.00 -1.52 0.00 0.00 31.29 32.63 3iwk h VAL 51 CO 0.17 0.53 0.31 0.44 0.02 0.00 0.00 177.57 179.04 3iwk h ASP 52 N 0.75 0.51 -0.79 0.57 3.32 -1.23 -1.19 116.42 118.37 3iwk h ASP 52 Ca 0.05 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 3iwk h ASP 52 Cb 1.02 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 40.42 3iwk h ASP 52 CO 0.10 0.36 0.50 0.00 -1.72 0.00 0.00 179.24 178.49 3iwk h ALA 53 N 1.21 1.00 -0.31 3.45 0.00 -1.39 -0.81 119.26 122.41 3iwk h ALA 53 Ca 0.20 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3iwk h ALA 53 Cb -0.01 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 3iwk h ALA 53 CO -0.08 0.44 0.16 0.00 0.00 0.00 0.00 179.25 179.77 3iwk h ALA 54 N 1.27 0.40 -0.54 0.00 0.00 -1.13 -1.16 119.26 118.11 3iwk h ALA 54 Ca 0.29 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.14 3iwk h ALA 54 Cb -0.09 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 3iwk h ALA 54 CO -0.06 -0.04 0.31 0.87 0.00 0.00 0.00 179.25 180.33 3iwk h LYS 55 N 0.38 0.60 -0.60 0.00 1.79 -0.95 -2.50 116.57 115.29 3iwk h LYS 55 Ca 0.11 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.53 3iwk h LYS 55 Cb 0.10 -0.14 -0.03 0.00 -1.58 0.00 0.00 32.23 30.59 3iwk h LYS 55 CO -0.01 0.40 0.33 -0.09 -1.08 0.00 0.00 179.45 179.00 3iwk h ARG 56 N 0.62 0.82 0.00 3.15 2.43 -1.00 -2.39 114.38 118.01 3iwk h ARG 56 Ca 0.22 -0.08 -0.03 0.00 -0.81 0.00 0.00 59.98 59.28 3iwk h ARG 56 Cb 0.06 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.43 3iwk h ARG 56 CO -0.12 0.60 -0.15 0.00 -1.51 0.00 0.00 179.97 178.79 3iwk h ALA 57 N 1.54 1.20 -0.22 2.80 0.00 -0.75 -3.06 119.26 120.77 3iwk h ALA 57 Ca 0.21 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3iwk h ALA 57 Cb 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3iwk h ALA 57 CO -0.04 0.19 0.00 0.44 0.00 0.00 0.00 179.25 179.84 3iwk n ILE 58 N -3.55 1.24 -2.79 0.00 -5.35 -0.98 -2.50 119.36 105.43 3iwk n ILE 58 Ca -0.01 -1.21 -0.41 0.00 -0.27 0.00 0.00 62.75 60.85 3iwk n ILE 58 Cb 0.29 0.34 -0.04 0.00 -1.74 0.00 0.00 39.64 38.50 3iwk n ILE 58 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 3iwk s SER 59 N -1.26 7.34 0.00 7.28 0.15 -0.94 -4.76 113.70 121.52 3iwk s SER 59 Ca 0.20 1.62 0.20 0.00 0.70 0.00 0.00 55.95 58.67 3iwk s SER 59 Cb 0.13 -2.54 1.07 0.00 -1.71 0.00 0.00 66.02 62.97 3iwk s SER 59 CO 0.10 -0.15 1.64 -1.14 1.20 0.00 0.00 173.24 174.88 3iwk n ARG 60 N 3.43 0.37 0.00 5.44 3.00 -1.26 -1.23 116.66 126.41 3iwk n ARG 60 Ca 0.03 0.07 0.00 0.00 -0.00 0.00 0.00 57.85 57.95 3iwk n ARG 60 Cb 0.50 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 31.46 3iwk n ARG 60 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 3iwk n LYS 61 N -1.22 0.94 -4.81 -0.14 4.01 -1.26 -4.72 118.16 110.97 3iwk n LYS 61 Ca 0.11 0.00 -0.32 0.00 -0.51 0.00 0.00 58.31 57.59 3iwk n LYS 61 Cb 0.14 -1.04 -0.16 0.00 -0.51 0.00 0.00 35.03 33.46 3iwk n LYS 61 CO 0.00 0.00 0.00 1.21 -1.11 0.00 0.00 177.40 177.50 3iwk s ASN 62 N -0.97 3.23 0.53 4.39 2.47 -0.36 -5.12 114.94 119.10 3iwk s ASN 62 Ca 0.00 -0.56 -0.19 0.00 0.42 0.00 0.00 52.86 52.53 3iwk s ASN 62 Cb 0.00 -1.46 -0.07 0.00 -1.45 0.00 0.00 41.25 38.27 3iwk s ASN 62 CO 0.00 0.11 1.08 -0.83 -3.72 0.00 0.00 177.10 173.74 3iwk s GLY 63 N 0.66 2.52 -0.38 1.21 0.00 -1.26 -3.18 107.32 106.89 3iwk s GLY 63 Ca -0.10 0.69 0.00 0.00 0.00 0.00 0.00 44.72 45.31 3iwk s GLY 63 CO 0.02 1.03 0.00 0.54 0.00 0.00 0.00 173.10 174.68 3iwk n ARG 64 N -1.26 -0.62 -1.55 2.90 5.12 -1.26 -4.94 116.66 115.05 3iwk n ARG 64 Ca 0.10 0.46 -0.61 0.00 -1.93 0.00 0.00 57.85 55.87 3iwk n ARG 64 Cb 0.52 -4.13 -0.10 0.00 -1.16 0.00 0.00 32.46 27.59 3iwk n ARG 64 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 3iwk n ASP 65 N 0.20 1.47 -0.13 0.55 -0.08 -1.19 -4.85 116.55 112.53 3iwk n ASP 65 Ca -0.04 0.91 -0.11 0.00 -1.51 0.00 0.00 54.79 54.04 3iwk n ASP 65 Cb 0.21 -1.00 -0.02 0.00 2.34 0.00 0.00 41.12 42.65 3iwk n ASP 65 CO 0.00 0.00 0.00 -0.25 0.12 0.00 0.00 177.20 177.07 3iwk h TRP 66 N 7.66 0.81 0.00 -0.67 2.91 -1.83 -2.20 115.95 122.63 3iwk h TRP 66 Ca -0.32 -0.18 -0.02 0.00 1.13 0.00 0.00 58.89 59.49 3iwk h TRP 66 Cb 1.37 -0.20 -0.00 0.00 -0.51 0.00 0.00 29.16 29.82 3iwk h TRP 66 CO 0.82 0.87 -0.11 0.66 -1.03 0.00 0.00 178.44 179.65 3iwk h SER 67 N 0.52 0.00 0.00 2.65 4.64 -1.78 -2.98 113.55 116.60 3iwk h SER 67 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 3iwk h SER 67 Cb 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 3iwk h SER 67 CO 0.04 0.11 -1.05 0.00 -0.87 0.00 0.00 176.83 175.07 3iwk n ALA 68 N -2.25 4.50 -1.17 5.18 0.00 -1.12 -4.86 120.51 120.80 3iwk n ALA 68 Ca -0.01 -0.57 -0.33 0.00 0.00 0.00 0.00 53.44 52.53 3iwk n ALA 68 Cb 0.25 -0.74 0.11 0.00 0.00 0.00 0.00 19.45 19.07 3iwk n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iwk s ALA 69 N -2.97 1.99 0.56 0.00 0.00 -0.84 -4.99 121.76 115.51 3iwk s ALA 69 Ca 0.06 0.67 -0.20 0.00 0.00 0.00 0.00 51.96 52.50 3iwk s ALA 69 Cb 0.15 -3.42 -0.05 0.00 0.00 0.00 0.00 23.12 19.81 3iwk s ALA 69 CO 0.84 -2.05 1.21 -1.54 0.00 0.00 0.00 175.76 174.22 3iwk s SER 70 N -2.47 5.43 0.40 0.00 1.04 -1.26 -4.93 113.70 111.90 3iwk s SER 70 Ca 0.69 2.39 0.07 0.00 0.48 0.00 0.00 55.95 59.59 3iwk s SER 70 Cb -0.25 -2.60 0.82 0.00 0.10 0.00 0.00 66.02 64.10 3iwk s SER 70 CO 0.50 -1.43 2.02 1.23 0.98 0.00 0.00 173.24 176.54 3iwk h GLY 71 N 1.19 0.53 2.00 7.32 0.00 -1.92 -2.31 103.07 109.87 3iwk h GLY 71 Ca -0.50 -0.23 -0.05 0.00 0.00 0.00 0.00 47.33 46.56 3iwk h GLY 71 CO 0.56 0.22 -0.22 1.48 0.00 0.00 0.00 176.54 178.58 3iwk h SER 72 N 0.50 0.00 -0.32 0.19 4.64 -1.84 -0.93 113.55 115.79 3iwk h SER 72 Ca 0.13 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.35 3iwk h SER 72 Cb 0.04 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.12 3iwk h SER 72 CO -0.02 0.22 -0.20 0.25 -0.87 0.00 0.00 176.83 176.21 3iwk h LEU 73 N 0.00 0.74 -0.79 5.97 5.85 -1.80 -2.72 115.31 122.56 3iwk h LEU 73 Ca -0.00 -0.43 -0.01 0.00 0.84 0.00 0.00 57.88 58.28 3iwk h LEU 73 Cb 0.81 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.60 3iwk h LEU 73 CO 0.03 1.01 0.44 0.03 -0.34 0.00 0.00 178.44 179.60 3iwk h ARG 74 N 0.48 1.10 -0.84 1.25 3.08 -1.33 -2.67 114.38 115.45 3iwk h ARG 74 Ca 0.07 -0.13 0.08 0.00 0.07 0.00 0.00 59.98 60.07 3iwk h ARG 74 Cb 0.75 -0.22 -0.07 0.00 0.08 0.00 0.00 29.97 30.52 3iwk h ARG 74 CO 0.06 0.81 0.50 0.00 -1.07 0.00 0.00 179.97 180.27 3iwk h ALA 75 N 1.23 1.18 -0.88 0.04 0.00 -1.15 -0.48 119.26 119.21 3iwk h ALA 75 Ca 0.28 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.21 3iwk h ALA 75 Cb 0.03 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 3iwk h ALA 75 CO -0.05 0.19 0.58 0.00 0.00 0.00 0.00 179.25 179.97 3iwk h ARG 76 N 0.88 1.15 -0.47 0.00 3.08 -1.15 0.55 114.38 118.42 3iwk h ARG 76 Ca 0.39 -0.07 -0.10 0.00 0.07 0.00 0.00 59.98 60.27 3iwk h ARG 76 Cb 0.27 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 3iwk h ARG 76 CO -0.21 0.76 -0.11 1.88 -1.07 0.00 0.00 179.97 181.22 3iwk h TYR 77 N 1.18 0.94 -0.37 3.04 0.05 -1.23 -1.87 116.97 118.71 3iwk h TYR 77 Ca 0.33 -0.18 -0.11 0.00 0.05 0.00 0.00 58.73 58.82 3iwk h TYR 77 Cb -0.12 -0.24 -0.01 0.00 1.01 0.00 0.00 36.73 37.37 3iwk h TYR 77 CO -0.01 0.91 -0.20 -0.07 -1.05 0.00 0.00 178.16 177.74 3iwk h LEU 78 N 0.77 0.81 -0.93 3.88 3.38 0.06 -1.48 115.31 121.80 3iwk h LEU 78 Ca 0.13 -0.42 -0.07 0.00 0.09 0.00 0.00 57.88 57.61 3iwk h LEU 78 Cb 0.62 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 3iwk h LEU 78 CO 0.04 1.05 0.04 0.03 0.09 0.00 0.00 178.44 179.69 3iwk h ARG 79 N 0.58 0.83 -0.17 1.13 3.08 0.05 -1.46 114.38 118.40 3iwk h ARG 79 Ca 0.08 -0.21 -0.12 0.00 0.07 0.00 0.00 59.98 59.80 3iwk h ARG 79 Cb 0.76 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.69 3iwk h ARG 79 CO 0.06 0.80 -0.41 0.00 -1.07 0.00 0.00 179.97 179.36 3iwk h ALA 80 N 1.26 0.98 -0.17 0.04 0.00 -1.20 -1.16 119.26 119.02 3iwk h ALA 80 Ca 0.16 -0.43 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 3iwk h ALA 80 Cb 0.42 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 3iwk h ALA 80 CO 0.01 0.62 -0.07 0.82 0.00 0.00 0.00 179.25 180.63 3iwk h ILE 81 N 0.33 1.31 -0.69 0.00 2.04 -1.08 -2.74 117.51 116.67 3iwk h ILE 81 Ca 0.03 -1.10 0.11 0.00 1.00 0.00 0.00 64.86 64.90 3iwk h ILE 81 Cb 0.86 1.68 -0.08 0.00 -0.74 0.00 0.00 36.82 38.54 3iwk h ILE 81 CO 0.07 0.33 0.29 0.00 0.00 0.00 0.00 178.15 178.84 3iwk h ALA 82 N 0.69 0.94 -0.61 1.87 0.00 -1.12 -1.37 119.26 119.66 3iwk h ALA 82 Ca 0.04 0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 3iwk h ALA 82 Cb 0.54 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3iwk h ALA 82 CO 0.02 -0.15 0.05 0.00 0.00 0.00 0.00 179.25 179.18 3iwk h ALA 83 N 1.46 0.81 -0.31 0.00 0.00 -1.19 -1.50 119.26 118.53 3iwk h ALA 83 Ca 0.36 -0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.84 3iwk h ALA 83 Cb 0.46 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3iwk h ALA 83 CO -0.33 0.61 -0.37 -0.22 0.00 0.00 0.00 179.25 178.94 3iwk h LYS 84 N 0.94 0.72 -0.60 0.00 1.63 -1.17 -2.32 116.57 115.77 3iwk h LYS 84 Ca 0.18 -0.36 -0.10 0.00 -0.85 0.00 0.00 60.65 59.52 3iwk h LYS 84 Cb 0.49 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.10 3iwk h LYS 84 CO 0.02 0.97 -0.00 0.82 -3.45 0.00 0.00 179.45 177.81 3iwk h ILE 85 N 0.60 1.27 -0.68 2.00 2.04 -1.16 -2.79 117.51 118.79 3iwk h ILE 85 Ca 0.05 -1.16 -0.03 0.00 1.00 0.00 0.00 64.86 64.73 3iwk h ILE 85 Cb 0.91 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 37.77 3iwk h ILE 85 CO 0.08 0.42 0.30 0.50 0.00 0.00 0.00 178.15 179.45 3iwk h LYS 86 N 0.96 0.99 -0.59 2.37 3.64 -1.07 -1.36 116.57 121.50 3iwk h LYS 86 Ca 0.17 -0.15 -0.04 0.00 -1.27 0.00 0.00 60.65 59.36 3iwk h LYS 86 Cb 0.56 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 32.18 3iwk h LYS 86 CO 0.03 0.79 0.20 0.93 -2.27 0.00 0.00 179.45 179.13 3iwk h GLU 87 N 0.98 0.91 -0.51 1.90 5.08 -1.35 -3.07 114.58 118.52 3iwk h GLU 87 Ca 0.23 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3iwk h GLU 87 Cb 0.15 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.27 3iwk h GLU 87 CO -0.02 0.81 0.00 1.63 -1.00 0.00 0.00 179.01 180.42 3iwk n LYS 88 N -4.42 2.31 -0.14 2.33 5.02 -0.96 -4.65 118.16 117.65 3iwk n LYS 88 Ca 0.03 -1.60 -0.07 0.00 -2.02 0.00 0.00 58.31 54.66 3iwk n LYS 88 Cb 0.19 -1.49 -0.01 0.00 -0.02 0.00 0.00 35.03 33.71 3iwk n LYS 88 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 3iwk h LYS 89 N 2.43 -0.21 -0.75 1.97 3.64 -1.16 0.16 116.57 122.65 3iwk h LYS 89 Ca 0.00 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.36 3iwk h LYS 89 Cb 0.77 0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.61 3iwk h LYS 89 CO 0.07 -0.14 0.32 -0.44 -2.27 0.00 0.00 179.45 176.99 3iwk h ASP 90 N -0.21 1.02 -0.05 4.20 3.32 -1.86 0.14 116.42 122.97 3iwk h ASP 90 Ca 0.19 -0.14 -0.13 0.00 0.02 0.00 0.00 57.03 56.97 3iwk h ASP 90 Cb 0.53 -0.26 0.01 0.00 0.22 0.00 0.00 39.33 39.83 3iwk h ASP 90 CO -0.57 0.89 -0.49 -0.08 -1.72 0.00 0.00 179.24 177.27 3iwk h GLU 91 N 1.09 0.42 -0.51 3.56 4.57 -1.72 -2.27 114.58 119.72 3iwk h GLU 91 Ca 0.25 -0.38 -0.08 0.00 -1.18 0.00 0.00 59.36 57.97 3iwk h GLU 91 Cb 0.18 0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 28.84 3iwk h GLU 91 CO -0.02 1.03 -0.01 -0.07 -1.18 0.00 0.00 179.01 178.76 3iwk h LEU 92 N -0.06 0.83 -0.78 1.64 3.38 -0.95 -2.03 115.31 117.35 3iwk h LEU 92 Ca -0.05 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 57.72 3iwk h LEU 92 Cb 1.16 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.65 3iwk h LEU 92 CO 0.10 0.91 0.51 1.23 0.09 0.00 0.00 178.44 181.28 3iwk h GLY 93 N 0.99 1.10 0.98 0.83 0.00 -0.99 0.09 103.07 106.07 3iwk h GLY 93 Ca 0.15 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 47.08 3iwk h GLY 93 CO 0.02 0.39 0.09 1.70 0.00 0.00 0.00 176.54 178.74 3iwk h LYS 94 N 1.04 0.20 -0.58 4.80 3.64 -1.14 -2.29 116.57 122.24 3iwk h LYS 94 Ca 0.29 -0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.60 3iwk h LYS 94 Cb -0.10 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.65 3iwk h LYS 94 CO -0.07 0.15 0.15 -0.07 -2.27 0.00 0.00 179.45 177.34 3iwk h LEU 95 N 0.18 0.82 -1.07 5.20 3.38 -1.03 -1.17 115.31 121.62 3iwk h LEU 95 Ca 0.05 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 3iwk h LEU 95 Cb 0.00 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 3iwk h LEU 95 CO -0.01 0.79 0.36 -0.08 0.09 0.00 0.00 178.44 179.59 3iwk h GLU 96 N 0.85 1.01 -0.08 1.13 4.57 -0.89 -0.74 114.58 120.44 3iwk h GLU 96 Ca 0.19 -0.13 -0.12 0.00 -1.18 0.00 0.00 59.36 58.12 3iwk h GLU 96 Cb 0.29 -0.19 0.01 0.00 -0.16 0.00 0.00 28.75 28.69 3iwk h GLU 96 CO -0.00 0.77 -0.40 1.03 -1.18 0.00 0.00 179.01 179.23 3iwk h SER 97 N 1.01 0.50 0.01 1.04 0.87 -0.77 -1.84 113.55 114.37 3iwk h SER 97 Ca 0.25 -0.64 -0.07 0.00 -1.23 0.00 0.00 61.79 60.10 3iwk h SER 97 Cb 0.08 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 61.88 3iwk h SER 97 CO -0.03 1.06 -0.18 0.40 -0.53 0.00 0.00 176.83 177.54 3iwk h ILE 98 N -0.03 1.22 -0.04 2.23 2.04 -1.21 0.17 117.51 121.89 3iwk h ILE 98 Ca -0.03 -1.00 -0.13 0.00 1.00 0.00 0.00 64.86 64.70 3iwk h ILE 98 Cb 1.05 1.28 0.01 0.00 -0.74 0.00 0.00 36.82 38.42 3iwk h ILE 98 CO 0.08 0.31 -0.49 -0.78 0.00 0.00 0.00 178.15 177.27 3iwk h ASP 99 N 0.29 0.51 0.00 1.72 3.58 -1.02 -3.39 116.42 118.11 3iwk h ASP 99 Ca 0.05 -0.71 0.00 0.00 0.42 0.00 0.00 57.03 56.80 3iwk h ASP 99 Cb 0.49 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.39 3iwk h ASP 99 CO 0.03 1.14 -0.71 0.00 -2.88 0.00 0.00 179.24 176.82 3iwk n GLY 101 N 1.44 0.63 3.81 0.00 0.00 0.05 -4.40 105.19 106.71 3iwk n GLY 101 Ca 0.01 -0.30 -0.36 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.74 4.32 0.32 1.61 -2.85 -1.25 -3.45 119.74 117.71 3iwk s LYS 102 Ca 0.00 0.96 -0.27 0.00 -1.00 0.00 0.00 55.97 55.65 3iwk s LYS 102 Cb 0.00 -2.88 -0.13 0.00 -2.06 0.00 0.00 37.83 32.76 3iwk s LYS 102 CO 0.00 0.38 1.05 -2.30 0.10 0.00 0.00 175.35 174.58 3iwk n PRO 103 N 0.72 1.48 -0.31 1.78 -0.02 -1.26 -4.56 135.00 132.83 3iwk n PRO 103 Ca -0.02 0.52 0.08 0.00 -2.02 0.00 0.00 63.50 62.06 3iwk n PRO 103 Cb 0.51 -1.94 0.19 0.00 -0.02 0.00 0.00 33.50 32.24 3iwk n PRO 103 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3iwk h LEU 104 N 2.01 -0.53 -1.95 2.45 5.85 -1.51 0.63 115.31 122.27 3iwk h LEU 104 Ca -0.41 0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 3iwk h LEU 104 Cb 1.33 0.46 -0.00 0.00 0.37 0.00 0.00 40.66 42.81 3iwk h LEU 104 CO 0.60 -0.27 -0.07 -0.33 -0.34 0.00 0.00 178.44 178.03 3iwk h GLU 105 N 0.04 0.00 -0.14 1.25 5.08 -1.88 0.79 114.58 119.71 3iwk h GLU 105 Ca 0.48 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.76 3iwk h GLU 105 Cb 0.88 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.13 3iwk h GLU 105 CO -0.83 0.07 -0.22 0.93 -1.00 0.00 0.00 179.01 177.95 3iwk h GLU 106 N 0.00 0.41 -0.73 2.33 5.08 -1.22 -2.81 114.58 117.63 3iwk h GLU 106 Ca -0.00 -0.25 0.02 0.00 -1.00 0.00 0.00 59.36 58.14 3iwk h GLU 106 Cb 0.12 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 3iwk h GLU 106 CO 0.01 0.83 0.47 0.00 -1.00 0.00 0.00 179.01 179.32 3iwk h ALA 107 N 0.57 0.95 -0.96 3.43 0.00 -0.69 -0.80 119.26 121.77 3iwk h ALA 107 Ca 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3iwk h ALA 107 Cb 0.80 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 3iwk h ALA 107 CO 0.05 0.28 0.60 -0.07 0.00 0.00 0.00 179.25 180.11 3iwk h LEU 108 N 0.93 1.13 -0.56 0.00 4.07 -0.96 -1.61 115.31 118.32 3iwk h LEU 108 Ca 0.29 -0.05 -0.12 0.00 0.08 0.00 0.00 57.88 58.08 3iwk h LEU 108 Cb -0.02 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 41.42 3iwk h LEU 108 CO -0.09 0.85 -0.10 0.00 -1.08 0.00 0.00 178.44 178.01 3iwk h ALA 109 N 1.35 0.76 -0.65 1.53 0.00 -1.09 -1.82 119.26 119.33 3iwk h ALA 109 Ca 0.35 -0.35 0.08 0.00 0.00 0.00 0.00 54.91 54.99 3iwk h ALA 109 Cb -0.10 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 17.43 3iwk h ALA 109 CO -0.07 0.68 0.31 -0.44 0.00 0.00 0.00 179.25 179.73 3iwk h ASP 110 N 0.93 0.40 -0.19 0.00 3.45 -0.83 -1.84 116.42 118.34 3iwk h ASP 110 Ca 0.14 0.06 -0.08 0.00 0.43 0.00 0.00 57.03 57.58 3iwk h ASP 110 Cb 0.68 -0.01 -0.02 0.00 -0.56 0.00 0.00 39.33 39.42 3iwk h ASP 110 CO 0.05 0.24 -0.15 -0.07 -1.57 0.00 0.00 179.24 177.74 3iwk h LEU 111 N 0.55 0.58 -0.76 1.55 4.07 -0.93 0.11 115.31 120.47 3iwk h LEU 111 Ca 0.31 -0.17 0.01 0.00 0.08 0.00 0.00 57.88 58.12 3iwk h LEU 111 Cb 0.32 -0.16 -0.04 0.00 1.08 0.00 0.00 40.66 41.86 3iwk h LEU 111 CO -0.25 0.75 0.50 0.44 -1.08 0.00 0.00 178.44 178.79 3iwk h ASP 112 N 0.53 0.85 -0.06 -0.43 3.32 -0.97 -2.10 116.42 117.57 3iwk h ASP 112 Ca 0.09 -0.02 -0.17 0.00 0.02 0.00 0.00 57.03 56.96 3iwk h ASP 112 Cb 0.57 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.90 3iwk h ASP 112 CO 0.04 0.61 -0.55 0.44 -1.72 0.00 0.00 179.24 178.06 3iwk h ASP 113 N 1.01 0.72 0.21 6.45 3.32 -0.66 -1.52 116.42 125.95 3iwk h ASP 113 Ca 0.28 -0.39 0.01 0.00 0.02 0.00 0.00 57.03 56.95 3iwk h ASP 113 Cb -0.09 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.23 3iwk h ASP 113 CO -0.07 1.12 -0.24 0.58 -1.72 0.00 0.00 179.24 178.91 3iwk h VAL 114 N 0.50 0.48 -0.26 -1.35 2.07 -0.67 0.10 116.25 117.12 3iwk h VAL 114 Ca 0.01 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.58 3iwk h VAL 114 Cb 1.11 0.48 -0.05 0.00 -1.52 0.00 0.00 31.29 31.31 3iwk h VAL 114 CO 0.11 0.00 -0.04 0.58 0.02 0.00 0.00 177.57 178.23 3iwk h VAL 115 N -0.49 0.76 -0.07 2.57 2.07 -1.33 -1.69 116.25 118.07 3iwk h VAL 115 Ca 0.01 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 3iwk h VAL 115 Cb 0.48 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 3iwk h VAL 115 CO -0.08 0.00 -0.02 0.00 0.02 0.00 0.00 177.57 177.49 3iwk h ALA 116 N 1.25 1.84 0.01 1.67 0.00 -1.07 -1.63 119.26 121.32 3iwk h ALA 116 Ca 0.12 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 3iwk h ALA 116 Cb 0.18 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.94 3iwk h ALA 116 CO -0.25 0.13 -0.34 0.00 0.00 0.00 0.00 179.25 178.78 3iwk h PHE 118 N -0.43 0.10 -0.51 0.00 0.04 -1.21 -1.62 116.94 113.30 3iwk h PHE 118 Ca -0.04 0.02 0.04 0.00 2.80 0.00 0.00 57.97 60.78 3iwk h PHE 118 Cb 1.11 0.01 -0.04 0.00 2.20 0.00 0.00 35.95 39.22 3iwk h PHE 118 CO 0.18 0.01 0.28 0.93 -0.60 0.00 0.00 178.31 179.11 3iwk h GLU 119 N 0.18 0.53 -0.53 1.51 5.08 -1.32 -0.87 114.58 119.16 3iwk h GLU 119 Ca 0.17 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.45 3iwk h GLU 119 Cb 0.19 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 3iwk h GLU 119 CO -0.22 0.35 0.15 -0.92 -1.00 0.00 0.00 179.01 177.36 3iwk h TYR 120 N 0.55 0.87 -0.02 4.33 3.20 -0.94 -2.34 116.97 122.63 3iwk h TYR 120 Ca 0.22 -0.10 -0.17 0.00 3.14 0.00 0.00 58.73 61.82 3iwk h TYR 120 Cb 0.09 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.09 3iwk h TYR 120 CO -0.09 0.76 -0.76 1.88 -1.64 0.00 0.00 178.16 178.31 3iwk h TYR 121 N 0.74 0.21 -0.73 -3.82 -1.99 -1.15 -2.31 116.97 107.92 3iwk h TYR 121 Ca 0.17 -0.10 0.13 0.00 2.00 0.00 0.00 58.73 60.93 3iwk h TYR 121 Cb 0.31 -0.03 -0.09 0.00 2.00 0.00 0.00 36.73 38.92 3iwk h TYR 121 CO 0.02 0.85 0.28 0.00 -0.00 0.00 0.00 178.16 179.31 3iwk h ALA 122 N 1.12 1.00 -0.49 3.88 0.00 -1.01 0.19 119.26 123.96 3iwk h ALA 122 Ca -0.02 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3iwk h ALA 122 Cb 1.34 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.20 3iwk h ALA 122 CO 0.11 -0.22 0.14 0.78 0.00 0.00 0.00 179.25 180.06 3iwk h GLY 123 N 0.42 0.83 1.39 0.00 0.00 -1.02 -1.49 103.07 103.20 3iwk h GLY 123 Ca 0.39 -0.51 -0.05 0.00 0.00 0.00 0.00 47.33 47.17 3iwk h GLY 123 CO -0.40 0.47 0.11 1.41 0.00 0.00 0.00 176.54 178.14 3iwk h LEU 124 N 0.66 0.71 -0.42 3.11 4.07 -0.96 -2.33 115.31 120.16 3iwk h LEU 124 Ca 0.16 -0.12 -0.01 0.00 0.08 0.00 0.00 57.88 57.98 3iwk h LEU 124 Cb 0.30 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 41.83 3iwk h LEU 124 CO -0.00 0.71 0.23 0.00 -1.08 0.00 0.00 178.44 178.30 3iwk h ALA 125 N 1.39 0.54 -0.96 1.53 0.00 -0.28 -1.56 119.26 119.92 3iwk h ALA 125 Ca 0.16 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 55.07 3iwk h ALA 125 Cb 0.28 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 17.84 3iwk h ALA 125 CO -0.00 0.06 0.62 0.93 0.00 0.00 0.00 179.25 180.86 3iwk h GLU 126 N 0.54 1.01 0.00 0.00 5.08 -0.94 -2.58 114.58 117.69 3iwk h GLU 126 Ca 0.15 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3iwk h GLU 126 Cb 0.06 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.08 3iwk h GLU 126 CO -0.02 0.67 -0.35 0.39 -1.00 0.00 0.00 179.01 178.70 3iwk n GLU 127 N -4.53 0.26 -0.15 2.33 1.02 -0.91 -4.21 120.64 114.46 3iwk n GLU 127 Ca 0.16 0.13 -0.09 0.00 -0.02 0.00 0.00 57.16 57.34 3iwk n GLU 127 Cb 0.25 -1.72 0.00 0.00 -0.02 0.00 0.00 31.44 29.95 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 0.59 -0.77 -4.62 5.85 -0.86 -2.80 115.31 112.70 3iwk h LEU 128 Ca 0.00 -0.14 0.13 0.00 0.84 0.00 0.00 57.88 58.70 3iwk h LEU 128 Cb 0.72 -0.15 -0.09 0.00 0.37 0.00 0.00 40.66 41.52 3iwk h LEU 128 CO 0.00 0.57 0.36 0.44 -0.34 0.00 0.00 178.44 179.47 3iwk h ASP 129 N 0.57 0.41 0.76 1.25 3.32 -1.73 -1.00 116.42 120.00 3iwk h ASP 129 Ca 0.15 0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.29 3iwk h ASP 129 Cb 0.15 0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.73 3iwk h ASP 129 CO -0.02 0.19 0.00 -1.54 -1.72 0.00 0.00 179.24 176.15 3iwk n SER 130 N -4.92 0.00 -0.53 6.45 3.41 -1.07 -2.41 113.62 114.54 3iwk n SER 130 Ca 0.14 0.48 0.13 0.00 -0.26 0.00 0.00 58.87 59.36 3iwk n SER 130 Cb 0.37 -0.49 0.28 0.00 -0.26 0.00 0.00 64.21 64.12 3iwk n SER 130 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3iwk n LYS 131 N -1.49 1.52 -2.08 4.33 5.02 -0.39 -4.95 118.16 120.12 3iwk n LYS 131 Ca 0.06 -1.08 -0.33 0.00 -2.02 0.00 0.00 58.31 54.94 3iwk n LYS 131 Cb 0.26 -1.48 0.01 0.00 -0.02 0.00 0.00 35.03 33.81 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 -2.22 3.26 -1.68 1.97 -1.52 -1.01 -3.69 119.66 114.77 3iwk s GLN 132 Ca 0.28 1.34 -0.02 0.00 -1.95 0.00 0.00 55.36 55.01 3iwk s GLN 132 Cb 0.20 -2.02 0.00 0.00 -0.22 0.00 0.00 33.01 30.97 3iwk s GLN 132 CO 0.42 -0.88 0.31 1.63 -0.25 0.00 0.00 175.29 176.53 3iwk n LYS 133 N -1.86 -3.34 -1.87 2.91 5.02 -0.80 -4.94 118.16 113.28 3iwk n LYS 133 Ca 0.10 0.96 -0.42 0.00 -2.02 0.00 0.00 58.31 56.93 3iwk n LYS 133 Cb 0.52 -5.74 -0.03 0.00 -0.02 0.00 0.00 35.03 29.77 3iwk n LYS 133 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3iwk s ALA 134 N -3.12 3.70 0.46 7.82 0.00 -1.23 -4.73 121.76 124.67 3iwk s ALA 134 Ca 0.16 1.27 -0.23 0.00 0.00 0.00 0.00 51.96 53.15 3iwk s ALA 134 Cb -0.07 -3.72 -0.07 0.00 0.00 0.00 0.00 23.12 19.26 3iwk s ALA 134 CO 0.19 -1.14 1.20 -1.25 0.00 0.00 0.00 175.76 174.76 3iwk s PRO 135 N 2.71 3.74 -0.19 0.00 0.04 -1.26 -2.16 135.00 137.89 3iwk s PRO 135 Ca 0.76 1.88 -0.02 0.00 0.04 0.00 0.00 61.00 63.66 3iwk s PRO 135 Cb -0.41 -2.46 -0.00 0.00 0.04 0.00 0.00 34.50 31.66 3iwk s PRO 135 CO 0.33 -0.59 -0.10 0.42 0.04 0.00 0.00 177.00 177.10 3iwk s ILE 136 N -1.47 2.98 -0.02 0.56 -1.09 0.32 -4.91 121.20 117.57 3iwk s ILE 136 Ca 0.63 -0.64 -0.29 0.00 -2.23 0.00 0.00 60.65 58.12 3iwk s ILE 136 Cb -0.31 -2.31 -0.03 0.00 -1.58 0.00 0.00 42.46 38.23 3iwk s ILE 136 CO 0.38 0.47 0.95 -0.94 -1.23 0.00 0.00 174.94 174.58 3iwk s SER 137 N 1.17 7.31 0.13 3.58 1.04 -1.26 -4.12 113.70 121.55 3iwk s SER 137 Ca 0.02 1.59 0.06 0.00 0.48 0.00 0.00 55.95 58.09 3iwk s SER 137 Cb -0.14 -2.55 -0.04 0.00 0.10 0.00 0.00 66.02 63.39 3iwk s SER 137 CO -0.03 -0.26 0.01 -0.76 0.98 0.00 0.00 173.24 173.18 3iwk s LEU 138 N 1.09 3.44 -0.00 2.42 1.02 -1.26 -5.01 118.68 120.37 3iwk s LEU 138 Ca 0.50 -0.26 0.05 0.00 0.02 0.00 0.00 54.13 54.44 3iwk s LEU 138 Cb -0.20 -2.13 0.14 0.00 0.02 0.00 0.00 46.19 44.02 3iwk s LEU 138 CO 0.26 0.13 1.11 -0.81 0.02 0.00 0.00 176.35 177.06 3iwk n PRO 139 N 0.21 1.37 -4.54 1.29 -0.04 -1.26 -4.74 135.00 127.28 3iwk n PRO 139 Ca -0.10 -0.56 -0.23 0.00 -0.04 0.00 0.00 63.50 62.56 3iwk n PRO 139 Cb 0.53 -1.12 -0.16 0.00 -0.04 0.00 0.00 33.50 32.71 3iwk n PRO 139 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 3iwk s MET 140 N -1.79 1.47 0.00 0.54 -1.94 -1.26 -5.03 119.30 111.29 3iwk s MET 140 Ca 0.10 -0.39 0.27 0.00 -1.71 0.00 0.00 55.69 53.97 3iwk s MET 140 Cb 0.05 -1.27 0.95 0.00 2.01 0.00 0.00 34.83 36.58 3iwk s MET 140 CO 0.07 0.07 1.72 -3.47 -0.01 0.00 0.00 175.02 173.40 3iwk n ASP 141 N 3.61 0.22 -0.01 3.03 2.03 -1.26 -3.48 116.55 120.69 3iwk n ASP 141 Ca -0.21 0.15 0.15 0.00 0.52 0.00 0.00 54.79 55.39 3iwk n ASP 141 Cb 0.52 -0.18 0.73 0.00 -0.72 0.00 0.00 41.12 41.47 3iwk n ASP 141 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 3iwk n THR 142 N -1.47 0.00 -4.21 5.18 -2.24 -1.26 -4.78 114.28 105.50 3iwk n THR 142 Ca 0.07 -0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.65 3iwk n THR 142 Cb 0.33 -0.47 -0.12 0.00 -2.10 0.00 0.00 70.33 67.98 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 -2.62 1.36 0.06 4.78 0.40 -1.23 -0.41 117.98 120.32 3iwk s PHE 143 Ca 0.27 -0.47 0.06 0.00 -0.60 0.00 0.00 56.93 56.18 3iwk s PHE 143 Cb 0.20 -0.75 -0.03 0.00 0.51 0.00 0.00 43.02 42.95 3iwk s PHE 143 CO 0.47 0.10 -0.17 0.15 0.70 0.00 0.00 175.22 176.48 3iwk s LYS 144 N -1.97 1.01 -0.04 0.44 -0.14 -0.08 -4.87 119.74 114.08 3iwk s LYS 144 Ca 0.02 -0.94 -0.04 0.00 -1.36 0.00 0.00 55.97 53.65 3iwk s LYS 144 Cb -0.09 -1.10 0.01 0.00 -1.68 0.00 0.00 37.83 34.97 3iwk s LYS 144 CO 0.03 0.26 0.11 0.45 -0.76 0.00 0.00 175.35 175.44 3iwk s SER 145 N -1.51 -0.12 0.16 2.83 0.15 -1.26 -0.36 113.70 113.60 3iwk s SER 145 Ca 0.03 0.22 -0.06 0.00 0.70 0.00 0.00 55.95 56.84 3iwk s SER 145 Cb -0.09 0.23 -0.02 0.00 -1.71 0.00 0.00 66.02 64.43 3iwk s SER 145 CO 0.02 -0.04 0.22 -0.72 1.20 0.00 0.00 173.24 173.92 3iwk s TYR 146 N 0.04 0.58 0.07 3.44 -0.85 -0.47 -0.52 117.35 119.64 3iwk s TYR 146 Ca -0.00 -0.94 0.05 0.00 -0.52 0.00 0.00 57.07 55.66 3iwk s TYR 146 Cb -0.01 -0.20 -0.04 0.00 0.38 0.00 0.00 41.96 42.09 3iwk s TYR 146 CO 0.00 -0.67 -0.07 0.96 -1.52 0.00 0.00 175.55 174.25 3iwk s ILE 147 N -4.01 3.57 -0.02 -3.49 -0.00 -0.92 -0.25 121.20 116.08 3iwk s ILE 147 Ca 0.21 -1.07 0.04 0.00 -0.00 0.00 0.00 60.65 59.84 3iwk s ILE 147 Cb 0.05 -2.64 -0.03 0.00 -0.00 0.00 0.00 42.46 39.84 3iwk s ILE 147 CO 0.02 0.20 -0.14 -0.76 -0.00 0.00 0.00 174.94 174.26 3iwk s LEU 148 N -1.98 2.79 -0.40 0.37 1.43 0.33 -1.90 118.68 119.33 3iwk s LEU 148 Ca 0.21 -0.23 -0.07 0.00 -1.03 0.00 0.00 54.13 53.01 3iwk s LEU 148 Cb -0.11 -1.59 0.08 0.00 0.03 0.00 0.00 46.19 44.59 3iwk s LEU 148 CO 0.13 0.32 0.21 -0.54 0.23 0.00 0.00 176.35 176.70 3iwk s LYS 149 N -0.98 2.47 0.11 1.70 1.02 -1.26 -0.94 119.74 121.85 3iwk s LYS 149 Ca 0.13 -1.50 0.06 0.00 0.02 0.00 0.00 55.97 54.68 3iwk s LYS 149 Cb -0.11 -3.66 -0.04 0.00 -0.52 0.00 0.00 37.83 33.50 3iwk s LYS 149 CO 0.03 -0.93 -0.05 -1.21 -0.92 0.00 0.00 175.35 172.27 3iwk s GLU 150 N 1.35 2.33 0.40 1.68 2.02 -0.65 -4.90 118.70 120.93 3iwk s GLU 150 Ca 0.03 -0.96 -0.27 0.00 0.02 0.00 0.00 54.97 53.79 3iwk s GLU 150 Cb -0.22 -2.41 -0.10 0.00 0.10 0.00 0.00 34.13 31.49 3iwk s GLU 150 CO 0.00 0.52 1.48 -0.35 0.02 0.00 0.00 175.26 176.93 3iwk n PRO 151 N 0.55 2.55 0.25 0.39 -0.04 -1.25 -0.24 135.00 137.20 3iwk n PRO 151 Ca -0.12 0.90 0.12 0.00 -0.04 0.00 0.00 63.50 64.36 3iwk n PRO 151 Cb 0.52 -2.67 0.63 0.00 -0.04 0.00 0.00 33.50 31.95 3iwk n PRO 151 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 3iwk h ILE 152 N 2.73 0.57 0.00 0.52 6.09 -1.50 -3.42 117.51 122.51 3iwk h ILE 152 Ca -0.51 -0.75 0.00 0.00 -1.37 0.00 0.00 64.86 62.23 3iwk h ILE 152 Cb 1.25 1.50 0.00 0.00 0.47 0.00 0.00 36.82 40.04 3iwk h ILE 152 CO 0.63 0.16 0.00 0.61 -3.07 0.00 0.00 178.15 176.48 3iwk n GLY 153 N -0.39 0.34 3.72 8.18 0.00 -1.26 -4.82 105.19 110.95 3iwk n GLY 153 Ca -0.01 -1.19 -0.39 0.00 0.00 0.00 0.00 46.02 44.43 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 5.08 -0.02 1.61 1.01 -1.26 -2.74 120.40 124.08 3iwk s VAL 154 Ca 0.00 1.31 0.07 0.00 0.00 0.00 0.00 61.98 63.35 3iwk s VAL 154 Cb 0.00 -3.98 -0.02 0.00 0.00 0.00 0.00 36.38 32.39 3iwk s VAL 154 CO 0.00 0.26 -0.23 0.68 0.00 0.00 0.00 175.10 175.82 3iwk s VAL 155 N 0.81 1.82 -0.24 2.92 -7.23 -0.01 -0.26 120.40 118.21 3iwk s VAL 155 Ca 0.34 -0.98 -0.12 0.00 -1.81 0.00 0.00 61.98 59.41 3iwk s VAL 155 Cb -0.17 -1.51 -0.05 0.00 0.56 0.00 0.00 36.38 35.21 3iwk s VAL 155 CO 0.16 0.51 0.23 0.00 -0.31 0.00 0.00 175.10 175.69 3iwk s ALA 156 N -0.47 3.59 -0.25 1.32 0.00 0.05 -0.81 121.76 125.18 3iwk s ALA 156 Ca 0.07 -0.82 0.01 0.00 0.00 0.00 0.00 51.96 51.21 3iwk s ALA 156 Cb -0.09 -2.44 0.04 0.00 0.00 0.00 0.00 23.12 20.63 3iwk s ALA 156 CO -0.00 -0.29 -0.09 -0.51 0.00 0.00 0.00 175.76 174.87 3iwk s LEU 157 N 1.26 3.28 -0.21 0.00 1.02 0.28 -0.64 118.68 123.67 3iwk s LEU 157 Ca 0.11 -1.13 0.02 0.00 0.02 0.00 0.00 54.13 53.14 3iwk s LEU 157 Cb -0.14 -1.60 0.04 0.00 0.02 0.00 0.00 46.19 44.50 3iwk s LEU 157 CO 0.06 -0.16 -0.16 -0.63 0.02 0.00 0.00 176.35 175.48 3iwk s ILE 158 N 1.22 2.06 0.11 -0.59 1.01 -0.63 0.48 121.20 124.86 3iwk s ILE 158 Ca -0.04 -1.19 0.08 0.00 0.00 0.00 0.00 60.65 59.50 3iwk s ILE 158 Cb -0.18 -1.99 -0.04 0.00 0.01 0.00 0.00 42.46 40.26 3iwk s ILE 158 CO -0.05 0.30 -0.21 0.42 0.00 0.00 0.00 174.94 175.40 3iwk s THR 159 N 1.23 1.73 0.69 2.92 -4.23 -1.02 -1.95 115.64 115.02 3iwk s THR 159 Ca -0.01 -1.60 -0.06 0.00 -1.18 0.00 0.00 61.69 58.85 3iwk s THR 159 Cb -0.16 -1.60 0.07 0.00 1.34 0.00 0.00 72.50 72.14 3iwk s THR 159 CO -0.10 -0.10 0.99 -2.16 -0.54 0.00 0.00 174.62 172.72 3iwk s PRO 160 N -2.04 2.15 0.00 3.99 0.04 -1.23 -2.51 135.00 135.41 3iwk s PRO 160 Ca 0.08 -0.38 0.26 0.00 0.04 0.00 0.00 61.00 60.99 3iwk s PRO 160 Cb -0.09 -2.21 0.61 0.00 0.04 0.00 0.00 34.50 32.85 3iwk s PRO 160 CO 0.05 -1.23 1.48 -2.67 0.04 0.00 0.00 177.00 174.67 3iwk n TRP 161 N -2.87 0.00 0.08 0.56 4.27 -1.26 -4.07 117.44 114.15 3iwk n TRP 161 Ca 0.09 0.00 -0.09 0.00 -3.89 0.00 0.00 57.50 53.61 3iwk n TRP 161 Cb 0.60 -0.21 -0.06 0.00 -1.36 0.00 0.00 31.31 30.28 3iwk n TRP 161 CO 0.00 0.00 0.00 -2.95 -2.29 0.00 0.00 177.69 172.45 3iwk h ASN 162 N 0.41 0.17 -2.32 -0.67 -1.07 -1.95 -3.33 115.58 106.81 3iwk h ASN 162 Ca 0.00 -0.16 -0.59 0.00 0.07 0.00 0.00 56.30 55.63 3iwk h ASN 162 Cb 0.50 -0.05 -0.40 0.00 -2.07 0.00 0.00 38.32 36.30 3iwk h ASN 162 CO 0.00 1.04 -0.87 -1.22 0.07 0.00 0.00 177.43 176.45 3iwk n TYR 163 N -3.52 0.96 0.22 4.14 4.01 -1.26 -5.03 117.16 116.67 3iwk n TYR 163 Ca -0.03 -3.75 -0.17 0.00 -0.16 0.00 0.00 57.90 53.80 3iwk n TYR 163 Cb 0.89 -0.27 -0.09 0.00 -0.31 0.00 0.00 39.34 39.55 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 4.71 -0.81 -0.25 -0.72 0.11 -1.71 0.14 132.00 133.47 3iwk h PRO 164 Ca 0.17 0.06 -0.16 0.00 0.11 0.00 0.00 66.00 66.17 3iwk h PRO 164 Cb 0.82 0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.11 3iwk h PRO 164 CO 0.56 -0.54 -0.48 0.35 -0.21 0.00 0.00 178.00 177.68 3iwk h PHE 165 N -0.84 0.97 -0.31 0.65 3.04 -1.92 -3.06 116.94 115.46 3iwk h PHE 165 Ca -0.03 -0.35 -0.06 0.00 3.98 0.00 0.00 57.97 61.52 3iwk h PHE 165 Cb 0.78 -0.18 -0.01 0.00 2.56 0.00 0.00 35.95 39.09 3iwk h PHE 165 CO -0.30 1.15 -0.04 1.25 -2.02 0.00 0.00 178.31 178.35 3iwk h LEU 166 N 0.51 0.57 -0.89 0.59 5.85 -1.81 -1.03 115.31 119.10 3iwk h LEU 166 Ca 0.01 -0.34 -0.09 0.00 0.84 0.00 0.00 57.88 58.30 3iwk h LEU 166 Cb 1.08 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.94 3iwk h LEU 166 CO 0.11 0.78 -0.19 0.24 -0.34 0.00 0.00 178.44 179.04 3iwk h MET 167 N 0.36 0.61 0.23 1.25 2.86 -0.84 0.53 114.93 119.92 3iwk h MET 167 Ca 0.08 -0.21 -0.01 0.00 -2.06 0.00 0.00 59.70 57.50 3iwk h MET 167 Cb 0.50 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.12 3iwk h MET 167 CO 0.02 0.76 -0.11 0.00 1.06 0.00 0.00 176.91 178.64 3iwk h ALA 168 N 1.25 -0.31 -0.70 6.32 0.00 -1.45 -3.11 119.26 121.27 3iwk h ALA 168 Ca 0.09 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.96 3iwk h ALA 168 Cb 0.63 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.48 3iwk h ALA 168 CO 0.04 -0.63 0.40 1.15 0.00 0.00 0.00 179.25 180.21 3iwk h THR 169 N -0.39 0.98 -0.95 0.00 2.02 -0.91 0.11 112.91 113.76 3iwk h THR 169 Ca -0.03 -0.25 0.27 0.00 0.77 0.00 0.00 66.41 67.17 3iwk h THR 169 Cb 0.30 0.18 -0.04 0.00 -1.74 0.00 0.00 68.15 66.85 3iwk h THR 169 CO 0.05 0.13 0.68 -0.50 0.37 0.00 0.00 175.52 176.26 3iwk h TRP 170 N 0.74 0.05 0.01 3.16 4.06 -0.83 -1.38 115.95 121.75 3iwk h TRP 170 Ca 0.31 0.00 -0.42 0.00 2.06 0.00 0.00 58.89 60.84 3iwk h TRP 170 Cb 0.18 -0.02 -0.06 0.00 -1.00 0.00 0.00 29.16 28.26 3iwk h TRP 170 CO -0.07 0.01 -2.38 1.63 -3.56 0.00 0.00 178.44 174.07 3iwk n LYS 171 N -4.28 0.61 0.11 0.49 5.02 -0.70 -4.49 118.16 114.92 3iwk n LYS 171 Ca 0.20 0.27 -0.13 0.00 -2.02 0.00 0.00 58.31 56.63 3iwk n LYS 171 Cb 1.00 -1.53 -0.06 0.00 -0.02 0.00 0.00 35.03 34.41 3iwk n LYS 171 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 3iwk h ILE 172 N -0.73 0.73 -0.10 -0.18 2.04 -0.62 -2.22 117.51 116.44 3iwk h ILE 172 Ca -0.63 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.25 3iwk h ILE 172 Cb 1.67 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 38.46 3iwk h ILE 172 CO -0.31 0.00 -0.05 0.00 0.00 0.00 0.00 178.15 177.80 3iwk h ALA 173 N 0.58 0.04 0.00 1.87 0.00 -1.49 0.64 119.26 120.90 3iwk h ALA 173 Ca 0.00 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 3iwk h ALA 173 Cb 0.25 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3iwk h ALA 173 CO -0.02 -0.51 -0.47 -1.00 0.00 0.00 0.00 179.25 177.25 3iwk h PRO 174 N -0.04 0.00 -0.24 0.00 0.13 -1.77 -1.81 132.00 128.28 3iwk h PRO 174 Ca 0.06 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.15 3iwk h PRO 174 Cb 0.12 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.25 3iwk h PRO 174 CO -0.12 0.47 -0.01 0.00 -0.23 0.00 0.00 178.00 178.10 3iwk h ALA 175 N 1.53 0.32 -0.39 -0.56 0.00 -0.72 -1.76 119.26 117.69 3iwk h ALA 175 Ca -0.00 -0.22 -0.16 0.00 0.00 0.00 0.00 54.91 54.52 3iwk h ALA 175 Cb 0.97 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 3iwk h ALA 175 CO 0.06 0.06 -0.39 -0.07 0.00 0.00 0.00 179.25 178.91 3iwk h LEU 176 N 0.19 1.01 -2.23 0.00 3.38 -0.90 -1.31 115.31 115.44 3iwk h LEU 176 Ca 0.07 -0.47 0.02 0.00 0.09 0.00 0.00 57.88 57.59 3iwk h LEU 176 Cb 0.42 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 3iwk h LEU 176 CO 0.01 1.27 0.06 0.00 0.09 0.00 0.00 178.44 179.87 3iwk h ALA 177 N 0.77 1.80 0.00 1.53 0.00 -1.28 -1.57 119.26 120.51 3iwk h ALA 177 Ca 0.06 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 3iwk h ALA 177 Cb 0.99 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 3iwk h ALA 177 CO 0.10 -0.09 -0.24 0.00 0.00 0.00 0.00 179.25 179.01 3iwk h ALA 178 N 1.95 0.86 0.00 0.00 0.00 -1.07 -3.43 119.26 117.57 3iwk h ALA 178 Ca 0.03 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3iwk h ALA 178 Cb 0.14 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3iwk h ALA 178 CO -0.00 0.31 0.00 0.41 0.00 0.00 0.00 179.25 179.97 3iwk n GLY 179 N 0.97 1.08 3.88 0.00 0.00 -0.59 -3.95 105.19 106.58 3iwk n GLY 179 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 3iwk n GLY 179 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iwk s ALA 181 N -2.23 3.53 0.02 0.00 0.00 -1.11 -4.36 121.76 117.61 3iwk s ALA 181 Ca 0.49 -0.79 0.06 0.00 0.00 0.00 0.00 51.96 51.72 3iwk s ALA 181 Cb -0.10 -1.63 -0.02 0.00 0.00 0.00 0.00 23.12 21.36 3iwk s ALA 181 CO 0.30 0.63 -0.18 0.00 0.00 0.00 0.00 175.76 176.50 3iwk s ALA 182 N -1.02 1.55 -0.25 0.00 0.00 0.59 -0.83 121.76 121.81 3iwk s ALA 182 Ca 0.17 -0.89 -0.02 0.00 0.00 0.00 0.00 51.96 51.22 3iwk s ALA 182 Cb -0.12 -0.34 0.03 0.00 0.00 0.00 0.00 23.12 22.69 3iwk s ALA 182 CO 0.06 0.35 -0.06 0.42 0.00 0.00 0.00 175.76 176.54 3iwk s ILE 183 N -0.63 2.88 -0.05 0.00 1.09 0.01 -0.50 121.20 124.00 3iwk s ILE 183 Ca 0.06 -1.03 -0.20 0.00 -1.10 0.00 0.00 60.65 58.38 3iwk s ILE 183 Cb -0.08 -2.47 -0.05 0.00 -1.06 0.00 0.00 42.46 38.81 3iwk s ILE 183 CO 0.01 0.19 0.56 -0.22 -0.10 0.00 0.00 174.94 175.38 3iwk s LEU 184 N 1.32 4.36 -0.41 2.97 2.96 0.16 -0.56 118.68 129.48 3iwk s LEU 184 Ca -0.00 1.04 0.03 0.00 -0.22 0.00 0.00 54.13 54.98 3iwk s LEU 184 Cb -0.17 -2.85 0.12 0.00 0.50 0.00 0.00 46.19 43.79 3iwk s LEU 184 CO -0.04 0.04 0.15 -0.75 -1.32 0.00 0.00 176.35 174.43 3iwk s LYS 185 N 0.20 1.47 0.71 1.98 2.36 0.18 -0.91 119.74 125.73 3iwk s LYS 185 Ca 0.30 -2.00 -0.11 0.00 -2.55 0.00 0.00 55.97 51.61 3iwk s LYS 185 Cb -0.17 -2.89 0.02 0.00 -1.05 0.00 0.00 37.83 33.74 3iwk s LYS 185 CO 0.15 -1.04 1.07 -2.14 1.55 0.00 0.00 175.35 174.94 3iwk s PRO 186 N 0.56 2.80 0.37 4.03 0.02 -1.26 -2.43 135.00 139.08 3iwk s PRO 186 Ca 0.14 1.02 -0.28 0.00 0.02 0.00 0.00 61.00 61.91 3iwk s PRO 186 Cb -0.22 -1.97 -0.10 0.00 0.02 0.00 0.00 34.50 32.23 3iwk s PRO 186 CO -0.07 -1.21 1.34 0.45 -0.33 0.00 0.00 177.00 177.19 3iwk s SER 187 N -3.63 6.52 0.62 2.53 0.15 -1.04 -4.58 113.70 114.27 3iwk s SER 187 Ca 0.59 2.76 0.37 0.00 0.70 0.00 0.00 55.95 60.37 3iwk s SER 187 Cb -0.15 -2.65 2.09 0.00 -1.71 0.00 0.00 66.02 63.60 3iwk s SER 187 CO 0.54 -0.72 2.29 1.05 1.20 0.00 0.00 173.24 177.61 3iwk h GLU 188 N 3.06 0.00 0.00 5.44 9.09 -1.93 -2.50 114.58 127.73 3iwk h GLU 188 Ca -0.50 0.00 -0.12 0.00 0.05 0.00 0.00 59.36 58.80 3iwk h GLU 188 Cb 1.24 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 28.32 3iwk h GLU 188 CO 0.64 0.01 -0.56 -0.07 0.05 0.00 0.00 179.01 179.08 3iwk h LEU 189 N 0.00 0.00 -6.36 3.06 3.38 -1.93 -3.41 115.31 110.05 3iwk h LEU 189 Ca -0.00 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.62 3iwk h LEU 189 Cb 0.05 0.00 -0.31 0.00 0.09 0.00 0.00 40.66 40.49 3iwk h LEU 189 CO 0.00 0.56 -0.67 0.00 0.09 0.00 0.00 178.44 178.42 3iwk s ALA 190 N -3.10 -0.50 -0.05 1.53 0.00 -0.94 -4.75 121.76 113.94 3iwk s ALA 190 Ca 0.02 -0.85 0.01 0.00 0.00 0.00 0.00 51.96 51.14 3iwk s ALA 190 Cb 0.09 -2.04 -0.00 0.00 0.00 0.00 0.00 23.12 21.16 3iwk s ALA 190 CO 0.74 -2.08 0.18 0.43 0.00 0.00 0.00 175.76 175.03 3iwk n SER 191 N 4.40 0.35 -0.12 0.00 7.64 -1.23 -4.35 113.62 120.31 3iwk n SER 191 Ca 0.09 -0.67 -0.13 0.00 1.01 0.00 0.00 58.87 59.17 3iwk n SER 191 Cb 0.46 0.69 -0.02 0.00 -1.01 0.00 0.00 64.21 64.33 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 0.05 1.27 -0.10 0.44 -1.51 -1.94 -1.94 116.25 112.53 3iwk h VAL 192 Ca 0.00 -1.58 -0.16 0.00 -1.23 0.00 0.00 66.70 63.73 3iwk h VAL 192 Cb 0.02 1.40 -0.01 0.00 -2.13 0.00 0.00 31.29 30.58 3iwk h VAL 192 CO 0.00 0.53 -0.62 0.71 -1.23 0.00 0.00 177.57 176.96 3iwk h THR 193 N 0.76 1.37 -0.30 7.19 1.35 -1.90 -1.75 112.91 119.64 3iwk h THR 193 Ca 0.06 -1.98 -0.06 0.00 -0.55 0.00 0.00 66.41 63.88 3iwk h THR 193 Cb 1.00 1.98 -0.02 0.00 -1.73 0.00 0.00 68.15 69.38 3iwk h THR 193 CO 0.10 0.59 -0.08 0.00 -0.25 0.00 0.00 175.52 175.88 3iwk h LEU 195 N 0.46 0.46 -1.64 0.00 3.38 -1.09 -2.89 115.31 113.97 3iwk h LEU 195 Ca 0.09 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 3iwk h LEU 195 Cb 0.43 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3iwk h LEU 195 CO 0.02 0.89 -0.20 -0.33 0.09 0.00 0.00 178.44 178.91 3iwk h GLU 196 N 0.33 0.00 -0.21 1.13 4.39 -0.77 -1.85 114.58 117.61 3iwk h GLU 196 Ca 0.01 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.64 3iwk h GLU 196 Cb 1.00 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.64 3iwk h GLU 196 CO 0.09 0.20 -0.21 1.25 -1.16 0.00 0.00 179.01 179.18 3iwk h LEU 197 N 0.00 0.37 -0.44 1.33 5.85 -1.10 -2.11 115.31 119.20 3iwk h LEU 197 Ca -0.00 -0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.65 3iwk h LEU 197 Cb 0.41 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 3iwk h LEU 197 CO 0.03 0.59 0.22 1.23 -0.34 0.00 0.00 178.44 180.16 3iwk h GLY 198 N 0.95 0.60 1.15 3.75 0.00 -1.31 -1.19 103.07 107.03 3iwk h GLY 198 Ca 0.06 -0.15 -0.05 0.00 0.00 0.00 0.00 47.33 47.19 3iwk h GLY 198 CO 0.04 0.10 0.25 -2.09 0.00 0.00 0.00 176.54 174.84 3iwk h GLU 199 N 0.44 1.07 -0.78 4.80 4.57 -1.45 -2.52 114.58 120.71 3iwk h GLU 199 Ca 0.19 -0.21 -0.02 0.00 -1.18 0.00 0.00 59.36 58.15 3iwk h GLU 199 Cb 0.10 -0.17 -0.04 0.00 -0.16 0.00 0.00 28.75 28.48 3iwk h GLU 199 CO -0.13 0.90 0.42 0.82 -1.18 0.00 0.00 179.01 179.84 3iwk h ILE 200 N 1.04 1.24 -0.62 2.32 2.04 -0.87 -0.07 117.51 122.58 3iwk h ILE 200 Ca 0.23 -0.59 -0.03 0.00 1.00 0.00 0.00 64.86 65.47 3iwk h ILE 200 Cb 0.25 0.20 -0.03 0.00 -0.74 0.00 0.00 36.82 36.50 3iwk h ILE 200 CO -0.01 0.26 0.28 0.00 0.00 0.00 0.00 178.15 178.68 3iwk h LYS 202 N 0.86 0.12 0.00 0.00 3.64 -1.09 0.15 116.57 120.24 3iwk h LYS 202 Ca 0.21 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.56 3iwk h LYS 202 Cb 0.15 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 31.94 3iwk h LYS 202 CO -0.02 0.08 -0.13 0.93 -2.27 0.00 0.00 179.45 178.04 3iwk h GLU 203 N 0.12 0.00 0.00 1.90 5.08 -0.66 -2.00 114.58 119.01 3iwk h GLU 203 Ca 0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3iwk h GLU 203 Cb 0.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.29 3iwk h GLU 203 CO -0.07 0.13 -1.03 0.28 -1.00 0.00 0.00 179.01 177.32 3iwk n VAL 204 N -3.59 0.00 -2.72 3.13 0.31 -0.53 -4.99 118.33 109.94 3iwk n VAL 204 Ca -0.02 -0.02 -0.09 0.00 -0.01 0.00 0.00 64.34 64.20 3iwk n VAL 204 Cb 0.26 0.95 0.02 0.00 -0.91 0.00 0.00 33.84 34.15 3iwk n VAL 204 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3iwk n GLY 205 N 1.49 0.26 3.68 2.92 0.00 0.33 -4.99 105.19 108.88 3iwk n GLY 205 Ca 0.04 -0.37 -0.44 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.00 3.32 -4.63 0.99 7.94 -0.13 -4.87 117.00 117.62 3iwk n LEU 206 Ca -0.03 1.13 -0.46 0.00 -1.11 0.00 0.00 56.01 55.55 3iwk n LEU 206 Cb 0.54 -1.46 -0.03 0.00 0.53 0.00 0.00 43.42 43.01 3iwk n LEU 206 CO 0.22 -0.35 0.81 -2.65 -1.11 0.00 0.00 177.39 174.31 3iwk n PRO 207 N 2.23 1.64 -1.71 1.96 -0.02 -1.26 -4.84 135.00 133.00 3iwk n PRO 207 Ca 0.12 0.58 -0.43 0.00 -2.02 0.00 0.00 63.50 61.75 3iwk n PRO 207 Cb 0.32 -2.12 -0.01 0.00 -0.02 0.00 0.00 33.50 31.67 3iwk n PRO 207 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 3iwk n ARG 208 N 1.47 2.28 0.00 -0.52 1.85 -1.26 -2.47 116.66 118.00 3iwk n ARG 208 Ca 0.11 0.81 0.00 0.00 -1.00 0.00 0.00 57.85 57.77 3iwk n ARG 208 Cb 0.30 -2.47 0.00 0.00 -1.05 0.00 0.00 32.46 29.24 3iwk n ARG 208 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3iwk n GLY 209 N 1.42 2.34 0.28 2.89 0.00 -1.26 -4.63 105.19 106.23 3iwk n GLY 209 Ca 0.07 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.99 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 1.27 -3.28 1.61 2.07 -1.76 -3.29 116.25 112.87 3iwk h VAL 210 Ca 0.00 -1.19 -0.57 0.00 0.82 0.00 0.00 66.70 65.76 3iwk h VAL 210 Cb 0.00 0.97 -0.35 0.00 -1.52 0.00 0.00 31.29 30.40 3iwk h VAL 210 CO 0.00 0.42 -0.83 -0.22 0.02 0.00 0.00 177.57 176.96 3iwk s LEU 211 N -9.29 1.67 -0.03 2.57 2.96 -1.26 -0.30 118.68 115.01 3iwk s LEU 211 Ca -0.12 -0.40 0.06 0.00 -0.22 0.00 0.00 54.13 53.45 3iwk s LEU 211 Cb 0.12 -1.04 -0.01 0.00 0.50 0.00 0.00 46.19 45.76 3iwk s LEU 211 CO 0.85 0.01 -0.22 0.20 -1.32 0.00 0.00 176.35 175.86 3iwk s ASN 212 N 1.00 2.66 -0.25 3.68 -0.87 0.35 -4.69 114.94 116.82 3iwk s ASN 212 Ca -0.07 -0.42 0.01 0.00 -1.57 0.00 0.00 52.86 50.81 3iwk s ASN 212 Cb -0.15 -0.44 0.04 0.00 -0.02 0.00 0.00 41.25 40.69 3iwk s ASN 212 CO -0.01 0.25 -0.10 -0.63 -2.57 0.00 0.00 177.10 174.04 3iwk s ILE 213 N -0.38 2.41 -0.29 0.60 1.01 0.68 0.40 121.20 125.62 3iwk s ILE 213 Ca 0.05 -1.33 0.02 0.00 0.00 0.00 0.00 60.65 59.39 3iwk s ILE 213 Cb -0.10 -2.29 0.07 0.00 0.01 0.00 0.00 42.46 40.15 3iwk s ILE 213 CO 0.00 0.12 -0.04 -0.69 0.00 0.00 0.00 174.94 174.34 3iwk s VAL 214 N 1.21 2.37 0.34 2.92 1.01 -0.08 -1.94 120.40 126.22 3iwk s VAL 214 Ca -0.04 -1.80 0.01 0.00 0.00 0.00 0.00 61.98 60.15 3iwk s VAL 214 Cb -0.18 -2.49 -0.03 0.00 0.00 0.00 0.00 36.38 33.68 3iwk s VAL 214 CO -0.06 -0.22 0.53 0.42 0.00 0.00 0.00 175.10 175.77 3iwk s THR 215 N 1.07 5.05 -5.00 3.92 -4.23 -1.26 -4.15 115.64 111.05 3iwk s THR 215 Ca -0.03 -0.55 0.00 0.00 -1.18 0.00 0.00 61.69 59.93 3iwk s THR 215 Cb -0.20 -3.83 0.00 0.00 1.34 0.00 0.00 72.50 69.81 3iwk s THR 215 CO -0.05 -0.51 0.00 0.61 -0.54 0.00 0.00 174.62 174.13 3iwk n GLY 216 N -1.74 -0.53 3.77 3.99 0.00 -1.24 -0.46 105.19 108.97 3iwk n GLY 216 Ca -0.05 -1.58 -0.39 0.00 0.00 0.00 0.00 46.02 44.00 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 4.23 0.17 0.99 1.02 -1.26 -4.14 118.68 119.69 3iwk s LEU 217 Ca 0.00 2.43 -0.17 0.00 0.02 0.00 0.00 54.13 56.41 3iwk s LEU 217 Cb 0.00 -3.95 0.10 0.00 0.02 0.00 0.00 46.19 42.36 3iwk s LEU 217 CO 0.00 -0.68 1.67 1.23 0.02 0.00 0.00 176.35 178.59 3iwk h GLY 218 N 2.75 0.29 1.66 -3.19 0.00 -1.96 0.56 103.07 103.18 3iwk h GLY 218 Ca -0.49 0.14 0.00 0.00 0.00 0.00 0.00 47.33 46.98 3iwk h GLY 218 CO 0.63 -0.16 0.00 -2.39 0.00 0.00 0.00 176.54 174.62 3iwk n HIS 219 N -5.31 0.00 0.00 5.60 1.44 -1.26 -0.54 115.22 115.14 3iwk n HIS 219 Ca 0.02 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.73 3iwk n HIS 219 Cb 0.23 -0.33 0.00 0.00 0.12 0.00 0.00 29.99 30.01 3iwk n HIS 219 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 176.34 173.92 3iwk n GLU 220 N -1.33 0.00 0.24 -1.40 1.02 -0.91 -4.50 120.64 113.76 3iwk n GLU 220 Ca 0.12 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 57.11 3iwk n GLU 220 Cb 0.25 -0.09 -0.08 0.00 -0.02 0.00 0.00 31.44 31.50 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 -1.82 -0.56 -0.24 0.62 0.00 -0.98 -1.92 119.26 114.37 3iwk h ALA 221 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3iwk h ALA 221 Cb 0.00 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3iwk h ALA 221 CO 0.00 -0.78 0.15 0.78 0.00 0.00 0.00 179.25 179.40 3iwk h GLY 222 N -0.61 0.33 1.01 0.00 0.00 -1.27 -0.94 103.07 101.59 3iwk h GLY 222 Ca -0.06 -0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 3iwk h GLY 222 CO 0.09 0.11 0.41 0.00 0.00 0.00 0.00 176.54 177.16 3iwk h ALA 223 N 1.09 0.96 -0.56 3.60 0.00 -0.87 0.25 119.26 123.74 3iwk h ALA 223 Ca 0.09 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 3iwk h ALA 223 Cb -0.03 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 3iwk h ALA 223 CO -0.03 0.47 0.21 0.77 0.00 0.00 0.00 179.25 180.67 3iwk h SER 224 N 1.04 0.79 -0.07 0.00 0.02 -1.13 -1.85 113.55 112.35 3iwk h SER 224 Ca 0.27 -0.18 -0.00 0.00 -0.84 0.00 0.00 61.79 61.03 3iwk h SER 224 Cb 0.03 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.36 3iwk h SER 224 CO -0.04 0.76 0.03 0.25 -1.14 0.00 0.00 176.83 176.69 3iwk h LEU 225 N 0.78 0.09 -1.21 5.07 5.85 -0.94 -2.73 115.31 122.22 3iwk h LEU 225 Ca 0.19 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 3iwk h LEU 225 Cb 0.23 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.21 3iwk h LEU 225 CO -0.01 0.19 0.38 0.00 -0.34 0.00 0.00 178.44 178.65 3iwk h ALA 226 N 0.91 1.40 -0.00 1.25 0.00 -0.88 -2.90 119.26 119.03 3iwk h ALA 226 Ca 0.02 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3iwk h ALA 226 Cb 0.12 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3iwk h ALA 226 CO -0.00 0.50 -0.27 -1.13 0.00 0.00 0.00 179.25 178.34 3iwk n SER 227 N -4.38 0.54 -4.68 0.00 3.41 -0.70 -4.64 113.62 103.16 3iwk n SER 227 Ca 0.07 -0.36 -0.42 0.00 -0.26 0.00 0.00 58.87 57.89 3iwk n SER 227 Cb 0.09 0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 64.04 3iwk n SER 227 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 3iwk s HIS 228 N -2.75 2.12 0.58 7.33 5.04 -1.03 -4.87 115.29 121.70 3iwk s HIS 228 Ca 0.19 0.06 0.28 0.00 -1.54 0.00 0.00 55.06 54.04 3iwk s HIS 228 Cb 0.19 -4.10 1.64 0.00 0.04 0.00 0.00 32.58 30.36 3iwk s HIS 228 CO 0.58 -4.54 2.12 -1.35 -2.34 0.00 0.00 174.74 169.20 3iwk h PRO 229 N 8.82 0.00 -0.21 2.88 0.11 -1.91 -2.63 132.00 139.06 3iwk h PRO 229 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 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 0.94 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.48 3iwk n ASP 230 N -3.88 3.03 -4.71 -2.05 8.00 -1.26 -4.85 116.55 110.83 3iwk n ASP 230 Ca 0.01 -1.94 -0.42 0.00 0.71 0.00 0.00 54.79 53.15 3iwk n ASP 230 Cb 0.30 -0.13 -0.03 0.00 -0.02 0.00 0.00 41.12 41.23 3iwk n ASP 230 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3iwk s VAL 231 N -1.74 4.79 -0.07 2.53 1.01 -0.99 -4.71 120.40 121.21 3iwk s VAL 231 Ca 0.34 2.04 0.05 0.00 0.00 0.00 0.00 61.98 64.42 3iwk s VAL 231 Cb 0.21 -4.31 -0.24 0.00 0.00 0.00 0.00 36.38 32.04 3iwk s VAL 231 CO 0.31 0.18 0.54 0.47 0.00 0.00 0.00 175.10 176.60 3iwk n ASP 232 N 3.73 1.36 -3.79 3.32 8.00 0.64 -4.96 116.55 124.84 3iwk n ASP 232 Ca 0.06 0.33 -0.13 0.00 0.71 0.00 0.00 54.79 55.76 3iwk n ASP 232 Cb 0.51 -0.37 -0.10 0.00 -0.02 0.00 0.00 41.12 41.14 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 0.53 -0.15 -1.24 2.20 -1.12 -4.04 119.74 113.34 3iwk s LYS 233 Ca -0.12 -0.06 -0.00 0.00 -0.36 0.00 0.00 55.97 55.43 3iwk s LYS 233 Cb 0.07 0.23 -0.01 0.00 -1.51 0.00 0.00 37.83 36.62 3iwk s LYS 233 CO 0.80 -0.12 -0.14 0.42 -0.36 0.00 0.00 175.35 175.95 3iwk s ILE 234 N -0.89 2.80 -0.23 5.43 1.01 -1.08 -0.77 121.20 127.47 3iwk s ILE 234 Ca -0.10 -0.73 -0.03 0.00 0.00 0.00 0.00 60.65 59.80 3iwk s ILE 234 Cb -0.05 -2.19 0.01 0.00 0.01 0.00 0.00 42.46 40.24 3iwk s ILE 234 CO 0.02 0.51 -0.06 -0.55 0.00 0.00 0.00 174.94 174.87 3iwk s SER 235 N 0.72 4.20 -0.06 3.58 0.15 0.19 -1.55 113.70 120.94 3iwk s SER 235 Ca -0.06 -0.56 0.03 0.00 0.70 0.00 0.00 55.95 56.05 3iwk s SER 235 Cb -0.15 -1.70 0.01 0.00 -1.71 0.00 0.00 66.02 62.47 3iwk s SER 235 CO 0.01 -0.06 -0.13 0.12 1.20 0.00 0.00 173.24 174.39 3iwk s PHE 236 N 1.42 1.49 -0.11 3.44 5.36 -0.09 -1.60 117.98 127.89 3iwk s PHE 236 Ca 0.04 -0.51 0.01 0.00 -0.96 0.00 0.00 56.93 55.51 3iwk s PHE 236 Cb -0.15 -1.06 0.02 0.00 -0.34 0.00 0.00 43.02 41.49 3iwk s PHE 236 CO -0.04 -0.24 -0.13 0.99 -1.46 0.00 0.00 175.22 174.34 3iwk s THR 237 N 0.46 1.37 -2.41 0.12 2.01 -0.82 -0.49 115.64 115.88 3iwk s THR 237 Ca -0.11 -0.54 0.00 0.00 0.31 0.00 0.00 61.69 61.35 3iwk s THR 237 Cb -0.14 -1.29 0.00 0.00 0.01 0.00 0.00 72.50 71.08 3iwk s THR 237 CO 0.03 0.42 0.00 0.61 -0.69 0.00 0.00 174.62 174.99 3iwk n GLY 238 N 4.46 -0.66 3.84 4.40 0.00 -0.69 -3.49 105.19 113.04 3iwk n GLY 238 Ca -0.18 -0.50 -0.32 0.00 0.00 0.00 0.00 46.02 45.03 3iwk n GLY 238 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3iwk s SER 239 N -4.00 6.05 0.21 1.61 1.04 -1.26 -3.50 113.70 113.84 3iwk s SER 239 Ca 0.00 1.59 -0.10 0.00 0.48 0.00 0.00 55.95 57.92 3iwk s SER 239 Cb 0.00 -2.50 0.15 0.00 0.10 0.00 0.00 66.02 63.77 3iwk s SER 239 CO 0.00 -0.99 1.83 0.28 0.98 0.00 0.00 173.24 175.34 3iwk h SER 240 N 0.07 0.94 -0.00 7.02 0.02 -1.95 -0.68 113.55 118.98 3iwk h SER 240 Ca -0.45 -0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 60.41 3iwk h SER 240 Cb 1.20 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 63.50 3iwk h SER 240 CO 0.60 0.75 0.00 0.00 -1.14 0.00 0.00 176.83 177.04 3iwk h ALA 241 N 1.22 0.00 -0.58 3.77 0.00 -2.00 -1.17 119.26 120.50 3iwk h ALA 241 Ca 0.27 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 3iwk h ALA 241 Cb 0.02 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3iwk h ALA 241 CO -0.05 -0.44 -0.00 1.15 0.00 0.00 0.00 179.25 179.91 3iwk h THR 242 N -0.11 1.27 -0.78 0.00 2.02 -1.96 -2.79 112.91 110.55 3iwk h THR 242 Ca 0.00 -1.14 0.08 0.00 0.77 0.00 0.00 66.41 66.12 3iwk h THR 242 Cb 0.11 0.84 -0.07 0.00 -1.74 0.00 0.00 68.15 67.29 3iwk h THR 242 CO -0.00 0.41 0.45 1.23 0.37 0.00 0.00 175.52 177.98 3iwk h GLY 243 N 0.93 1.19 1.06 2.16 0.00 -0.88 0.19 103.07 107.71 3iwk h GLY 243 Ca 0.17 -0.30 -0.06 0.00 0.00 0.00 0.00 47.33 47.14 3iwk h GLY 243 CO 0.03 0.15 0.26 0.23 0.00 0.00 0.00 176.54 177.21 3iwk h SER 244 N 0.78 1.09 -0.35 0.19 0.87 -1.15 -1.71 113.55 113.27 3iwk h SER 244 Ca 0.37 -0.20 -0.07 0.00 -1.23 0.00 0.00 61.79 60.66 3iwk h SER 244 Cb 0.29 -0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 61.96 3iwk h SER 244 CO -0.22 1.00 -0.06 0.11 -0.53 0.00 0.00 176.83 177.12 3iwk h LYS 245 N 1.13 0.66 -0.42 2.24 1.57 -1.01 0.27 116.57 121.01 3iwk h LYS 245 Ca 0.25 -0.24 0.08 0.00 -1.87 0.00 0.00 60.65 58.87 3iwk h LYS 245 Cb 0.28 -0.04 -0.07 0.00 0.08 0.00 0.00 32.23 32.47 3iwk h LYS 245 CO -0.01 0.81 -0.05 0.82 -0.57 0.00 0.00 179.45 180.45 3iwk h ILE 246 N 0.45 0.63 -0.53 1.86 1.08 -0.54 0.12 117.51 120.58 3iwk h ILE 246 Ca 0.09 -0.02 -0.12 0.00 -0.39 0.00 0.00 64.86 64.42 3iwk h ILE 246 Cb 0.56 0.57 -0.02 0.00 -3.07 0.00 0.00 36.82 34.86 3iwk h ILE 246 CO 0.03 0.01 -0.13 -0.03 -0.69 0.00 0.00 178.15 177.34 3iwk h MET 247 N 0.06 1.02 -0.29 2.37 4.05 -1.11 0.31 114.93 121.33 3iwk h MET 247 Ca 0.21 -0.39 0.02 0.00 -0.28 0.00 0.00 59.70 59.25 3iwk h MET 247 Cb 0.31 -0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 31.03 3iwk h MET 247 CO -0.39 1.08 0.14 1.15 0.23 0.00 0.00 176.91 179.12 3iwk h THR 248 N 0.89 0.98 -0.63 -0.77 2.02 -0.52 -0.54 112.91 114.35 3iwk h THR 248 Ca 0.13 -0.10 -0.02 0.00 0.77 0.00 0.00 66.41 67.19 3iwk h THR 248 Cb 0.70 0.66 -0.03 0.00 -1.74 0.00 0.00 68.15 67.75 3iwk h THR 248 CO 0.05 0.05 0.31 0.74 0.37 0.00 0.00 175.52 177.05 3iwk h THR 249 N 0.29 1.21 -0.12 3.16 2.02 -0.53 -2.78 112.91 116.16 3iwk h THR 249 Ca 0.12 -0.59 -0.07 0.00 0.77 0.00 0.00 66.41 66.64 3iwk h THR 249 Cb 0.05 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 3iwk h THR 249 CO -0.09 0.25 -0.22 0.00 0.37 0.00 0.00 175.52 175.82 3iwk h ALA 250 N 1.14 1.40 0.00 6.16 0.00 -0.69 -2.73 119.26 124.53 3iwk h ALA 250 Ca 0.22 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3iwk h ALA 250 Cb 0.10 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3iwk h ALA 250 CO -0.03 0.42 -0.14 0.00 0.00 0.00 0.00 179.25 179.50 3iwk h ALA 251 N 1.58 1.77 -0.66 0.00 0.00 -0.81 0.10 119.26 121.24 3iwk h ALA 251 Ca 0.03 -0.13 0.13 0.00 0.00 0.00 0.00 54.91 54.95 3iwk h ALA 251 Cb 0.51 -0.02 -0.10 0.00 0.00 0.00 0.00 17.79 18.18 3iwk h ALA 251 CO 0.03 0.17 0.16 1.96 0.00 0.00 0.00 179.25 181.58 3iwk h GLN 252 N 0.00 0.27 -0.13 0.00 1.08 -1.45 -2.28 115.11 112.61 3iwk h GLN 252 Ca -0.00 -0.02 -0.02 0.00 -1.45 0.00 0.00 58.65 57.16 3iwk h GLN 252 Cb 0.25 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.61 3iwk h GLN 252 CO 0.02 0.18 -0.04 1.28 -0.95 0.00 0.00 178.83 179.31 3iwk n LEU 253 N -5.13 3.12 -3.88 1.46 4.77 -1.11 -5.00 117.00 111.24 3iwk n LEU 253 Ca 0.11 -3.19 -0.28 0.00 -0.03 0.00 0.00 56.01 52.62 3iwk n LEU 253 Cb 0.38 -0.50 0.02 0.00 -2.33 0.00 0.00 43.42 40.99 3iwk n LEU 253 CO 0.16 0.80 0.03 0.55 -1.33 0.00 0.00 177.39 177.60 3iwk n VAL 254 N -1.04 -2.66 -2.73 4.08 3.14 -0.36 -4.96 118.33 113.79 3iwk n VAL 254 Ca 0.20 -0.16 -0.39 0.00 -2.96 0.00 0.00 64.34 61.02 3iwk n VAL 254 Cb 0.78 -3.00 -0.06 0.00 -1.06 0.00 0.00 33.84 30.50 3iwk n VAL 254 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 3iwk s LYS 255 N -6.47 4.76 0.71 1.45 -0.14 0.21 -4.98 119.74 115.28 3iwk s LYS 255 Ca 0.46 1.47 -0.13 0.00 -1.36 0.00 0.00 55.97 56.41 3iwk s LYS 255 Cb -0.23 -3.14 0.02 0.00 -1.68 0.00 0.00 37.83 32.81 3iwk s LYS 255 CO 0.84 0.42 1.10 -1.25 -0.76 0.00 0.00 175.35 175.70 3iwk s PRO 256 N -1.45 2.57 -0.07 -1.68 0.04 -1.26 -4.65 135.00 128.50 3iwk s PRO 256 Ca 0.44 1.27 -0.08 0.00 0.04 0.00 0.00 61.00 62.67 3iwk s PRO 256 Cb -0.24 -1.93 0.02 0.00 0.04 0.00 0.00 34.50 32.39 3iwk s PRO 256 CO 0.30 -1.41 0.22 0.54 0.04 0.00 0.00 177.00 176.69 3iwk s VAL 257 N -2.61 0.01 -0.04 -0.36 0.11 -1.26 -2.64 120.40 113.61 3iwk s VAL 257 Ca 0.64 -0.10 0.06 0.00 -2.93 0.00 0.00 61.98 59.66 3iwk s VAL 257 Cb -0.19 -0.35 -0.01 0.00 -1.53 0.00 0.00 36.38 34.31 3iwk s VAL 257 CO 0.48 -0.05 -0.23 -0.94 -3.33 0.00 0.00 175.10 171.03 3iwk s SER 258 N -0.11 2.82 -0.10 3.54 1.04 -0.59 -4.88 113.70 115.42 3iwk s SER 258 Ca -0.02 -0.46 -0.00 0.00 0.48 0.00 0.00 55.95 55.95 3iwk s SER 258 Cb -0.02 -0.60 0.02 0.00 0.10 0.00 0.00 66.02 65.52 3iwk s SER 258 CO 0.01 0.25 -0.07 -0.76 0.98 0.00 0.00 173.24 173.65 3iwk s LEU 259 N -0.28 1.12 -0.36 2.42 1.43 -0.15 -0.91 118.68 121.96 3iwk s LEU 259 Ca 0.01 -0.26 -0.02 0.00 -1.03 0.00 0.00 54.13 52.83 3iwk s LEU 259 Cb -0.12 -0.75 0.08 0.00 0.03 0.00 0.00 46.19 45.43 3iwk s LEU 259 CO 0.02 -0.12 0.11 -0.70 0.23 0.00 0.00 176.35 175.89 3iwk s GLU 260 N 1.63 2.20 0.00 1.70 2.12 0.36 -1.51 118.70 125.20 3iwk s GLU 260 Ca 0.03 -1.55 0.00 0.00 0.36 0.00 0.00 54.97 53.81 3iwk s GLU 260 Cb -0.13 -3.39 0.00 0.00 0.26 0.00 0.00 34.13 30.87 3iwk s GLU 260 CO -0.06 -0.85 0.00 1.28 -0.54 0.00 0.00 175.26 175.09 3iwk n LEU 261 N 4.61 0.00 0.00 2.70 4.77 0.51 -1.71 117.00 127.88 3iwk n LEU 261 Ca -0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 3iwk n LEU 261 Cb 0.42 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 3iwk n LEU 261 CO 0.30 -0.28 0.00 0.61 -1.33 0.00 0.00 177.39 176.68 3iwk n GLY 262 N 5.00 -2.47 3.61 -0.72 0.00 -1.23 -4.87 105.19 104.52 3iwk n GLY 262 Ca 0.00 -1.43 -0.09 0.00 0.00 0.00 0.00 46.02 44.50 3iwk n GLY 262 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3iwk s GLY 263 N -2.25 0.02 -0.50 -0.02 0.00 -1.03 -4.43 107.32 99.10 3iwk s GLY 263 Ca 0.00 -0.35 0.07 0.00 0.00 0.00 0.00 44.72 44.44 3iwk s GLY 263 CO 0.00 -0.28 0.61 1.17 0.00 0.00 0.00 173.10 174.60 3iwk n LYS 264 N -0.38 1.47 -2.30 2.90 3.00 -1.26 -4.60 118.16 116.98 3iwk n LYS 264 Ca -0.07 -3.84 -0.41 0.00 -0.00 0.00 0.00 58.31 53.99 3iwk n LYS 264 Cb 0.62 -1.67 -0.03 0.00 0.00 0.00 0.00 35.03 33.94 3iwk n LYS 264 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 3iwk s SER 265 N -1.69 7.01 0.18 3.14 0.01 -1.16 -4.79 113.70 116.41 3iwk s SER 265 Ca 0.37 2.37 -0.09 0.00 1.31 0.00 0.00 55.95 59.92 3iwk s SER 265 Cb 0.15 -2.62 -0.07 0.00 0.21 0.00 0.00 66.02 63.70 3iwk s SER 265 CO -0.07 -0.39 0.48 -2.16 0.41 0.00 0.00 173.24 171.51 3iwk s PRO 266 N -0.77 3.76 -0.17 12.44 0.04 -1.26 -1.90 135.00 147.15 3iwk s PRO 266 Ca 0.51 0.18 0.01 0.00 0.04 0.00 0.00 61.00 61.74 3iwk s PRO 266 Cb -0.35 -2.77 0.03 0.00 0.04 0.00 0.00 34.50 31.46 3iwk s PRO 266 CO 0.41 0.40 -0.13 -1.50 0.04 0.00 0.00 177.00 176.22 3iwk s ILE 267 N -1.70 1.62 -0.27 0.56 2.07 0.17 -0.86 121.20 122.79 3iwk s ILE 267 Ca 0.43 -0.81 -0.12 0.00 -1.41 0.00 0.00 60.65 58.74 3iwk s ILE 267 Cb -0.12 -1.60 -0.05 0.00 0.13 0.00 0.00 42.46 40.83 3iwk s ILE 267 CO 0.22 0.34 0.24 -0.69 -1.91 0.00 0.00 174.94 173.14 3iwk s VAL 268 N 1.44 5.27 -0.27 4.00 1.01 0.37 -1.14 120.40 131.08 3iwk s VAL 268 Ca 0.02 0.29 -0.04 0.00 0.00 0.00 0.00 61.98 62.26 3iwk s VAL 268 Cb -0.14 -3.58 0.02 0.00 0.00 0.00 0.00 36.38 32.68 3iwk s VAL 268 CO -0.10 0.23 -0.00 -0.69 0.00 0.00 0.00 175.10 174.54 3iwk s VAL 269 N 1.81 3.28 0.66 2.92 1.01 0.03 -0.06 120.40 130.05 3iwk s VAL 269 Ca 0.09 -0.95 -0.05 0.00 0.00 0.00 0.00 61.98 61.08 3iwk s VAL 269 Cb -0.16 -2.70 0.05 0.00 0.00 0.00 0.00 36.38 33.57 3iwk s VAL 269 CO 0.10 0.12 0.95 -0.36 0.00 0.00 0.00 175.10 175.91 3iwk s PHE 270 N 1.38 2.93 0.29 5.22 0.08 -0.34 -1.43 117.98 126.11 3iwk s PHE 270 Ca 0.00 0.36 0.10 0.00 0.12 0.00 0.00 56.93 57.51 3iwk s PHE 270 Cb -0.17 -3.05 0.40 0.00 -0.57 0.00 0.00 43.02 39.63 3iwk s PHE 270 CO -0.02 -1.24 1.64 1.05 -0.10 0.00 0.00 175.22 176.56 3iwk h GLU 271 N -0.41 0.01 -4.22 0.44 9.09 -1.90 -3.38 114.58 114.22 3iwk h GLU 271 Ca -0.44 -0.01 -0.73 0.00 0.05 0.00 0.00 59.36 58.23 3iwk h GLU 271 Cb 1.31 0.00 -0.13 0.00 -1.65 0.00 0.00 28.75 28.28 3iwk h GLU 271 CO 0.59 0.59 2.11 -0.40 0.05 0.00 0.00 179.01 181.95 3iwk n ASP 272 N -3.85 4.86 -3.74 3.06 5.75 -1.26 -4.89 116.55 116.47 3iwk n ASP 272 Ca -0.01 -3.00 -0.11 0.00 -0.01 0.00 0.00 54.79 51.66 3iwk n ASP 272 Cb 0.58 -1.57 -0.06 0.00 -1.03 0.00 0.00 41.12 39.04 3iwk n ASP 272 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 3iwk s VAL 273 N 1.74 0.09 -0.47 2.12 0.11 -1.26 -0.98 120.40 121.75 3iwk s VAL 273 Ca 0.44 -0.76 -0.25 0.00 -2.93 0.00 0.00 61.98 58.47 3iwk s VAL 273 Cb 0.07 -1.10 0.03 0.00 -1.53 0.00 0.00 36.38 33.85 3iwk s VAL 273 CO -0.01 -0.42 0.91 -0.62 -3.33 0.00 0.00 175.10 171.63 3iwk s ASP 274 N -2.45 6.46 0.26 3.54 -1.08 -1.26 -4.94 116.67 117.20 3iwk s ASP 274 Ca -0.00 0.01 -0.04 0.00 -0.52 0.00 0.00 52.55 52.00 3iwk s ASP 274 Cb 0.01 -2.44 0.36 0.00 -1.46 0.00 0.00 42.92 39.39 3iwk s ASP 274 CO -0.07 -1.06 1.89 -0.07 0.52 0.00 0.00 175.17 176.37 3iwk h LEU 275 N 10.58 1.04 -0.33 -1.34 4.07 -1.99 -1.77 115.31 125.58 3iwk h LEU 275 Ca -0.24 0.00 -0.19 0.00 0.08 0.00 0.00 57.88 57.53 3iwk h LEU 275 Cb 1.08 -0.22 0.00 0.00 1.08 0.00 0.00 40.66 42.59 3iwk h LEU 275 CO 1.03 0.69 -0.59 0.44 -1.08 0.00 0.00 178.44 178.92 3iwk h ASP 276 N 1.19 0.88 -0.11 -0.43 3.32 -1.99 -1.18 116.42 118.10 3iwk h ASP 276 Ca 0.41 -0.49 -0.09 0.00 0.02 0.00 0.00 57.03 56.87 3iwk h ASP 276 Cb 0.09 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.38 3iwk h ASP 276 CO -0.15 1.27 -0.29 0.11 -1.72 0.00 0.00 179.24 178.46 3iwk h LYS 277 N 0.59 0.39 -0.27 3.56 1.57 -1.90 -2.84 116.57 117.66 3iwk h LYS 277 Ca 0.00 -0.27 -0.10 0.00 -1.87 0.00 0.00 60.65 58.41 3iwk h LYS 277 Cb 1.19 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.53 3iwk h LYS 277 CO 0.12 0.89 -0.24 -0.39 -0.57 0.00 0.00 179.45 179.27 3iwk h VAL 278 N -0.05 1.26 -0.44 0.50 -1.51 -1.39 -2.77 116.25 111.86 3iwk h VAL 278 Ca -0.01 -1.25 0.08 0.00 -1.23 0.00 0.00 66.70 64.29 3iwk h VAL 278 Cb 0.91 1.32 -0.07 0.00 -2.13 0.00 0.00 31.29 31.31 3iwk h VAL 278 CO 0.06 0.40 0.01 0.00 -1.23 0.00 0.00 177.57 176.82 3iwk h ALA 279 N 1.30 0.42 -0.56 5.19 0.00 -1.18 0.16 119.26 124.59 3iwk h ALA 279 Ca 0.07 0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.13 3iwk h ALA 279 Cb 0.66 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 3iwk h ALA 279 CO 0.05 -0.38 0.34 1.49 0.00 0.00 0.00 179.25 180.75 3iwk h GLU 280 N 0.12 0.66 -0.63 0.00 4.81 -1.30 -1.89 114.58 116.36 3iwk h GLU 280 Ca 0.22 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.41 3iwk h GLU 280 Cb 0.32 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.52 3iwk h GLU 280 CO -0.36 0.43 0.38 -1.49 -0.73 0.00 0.00 179.01 177.25 3iwk h TRP 281 N 0.68 0.83 -0.16 0.92 4.06 -0.97 -1.14 115.95 120.17 3iwk h TRP 281 Ca 0.22 -0.00 -0.17 0.00 2.06 0.00 0.00 58.89 61.00 3iwk h TRP 281 Cb 0.01 -0.27 -0.00 0.00 -1.00 0.00 0.00 29.16 27.89 3iwk h TRP 281 CO -0.06 0.56 -0.61 0.00 -3.56 0.00 0.00 178.44 174.77 3iwk h THR 282 N 0.85 1.33 -0.28 1.49 1.03 -0.49 0.13 112.91 116.97 3iwk h THR 282 Ca 0.23 -1.89 -0.11 0.00 -0.01 0.00 0.00 66.41 64.62 3iwk h THR 282 Cb -0.03 1.87 -0.01 0.00 -1.07 0.00 0.00 68.15 68.91 3iwk h THR 282 CO -0.04 0.58 -0.30 -0.37 -0.01 0.00 0.00 175.52 175.38 3iwk h VAL 283 N 0.39 1.28 -0.21 0.00 -1.51 -1.26 -2.99 116.25 111.95 3iwk h VAL 283 Ca -0.01 -1.40 -0.01 0.00 -1.23 0.00 0.00 66.70 64.06 3iwk h VAL 283 Cb 1.16 1.39 -0.01 0.00 -2.13 0.00 0.00 31.29 31.70 3iwk h VAL 283 CO 0.11 0.45 0.08 0.15 -1.23 0.00 0.00 177.57 177.13 3iwk h PHE 284 N 0.50 0.32 0.00 5.19 3.04 -0.99 0.26 116.94 125.26 3iwk h PHE 284 Ca 0.06 -0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.99 3iwk h PHE 284 Cb 0.77 -0.10 0.00 0.00 2.56 0.00 0.00 35.95 39.18 3iwk h PHE 284 CO 0.03 0.37 0.00 0.41 -2.02 0.00 0.00 178.31 177.10 3iwk n GLY 285 N -0.68 -0.99 0.00 2.40 0.00 0.42 -2.40 105.19 103.93 3iwk n GLY 285 Ca -0.04 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -1.73 0.00 -1.76 0.00 0.99 0.89 -3.85 117.46 112.00 3iwk n PHE 287 Ca -0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 57.45 57.07 3iwk n PHE 287 Cb 0.23 -0.14 0.06 0.00 -1.00 0.00 0.00 39.48 38.63 3iwk n PHE 287 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 176.76 176.88 3iwk s PHE 288 N -2.37 2.17 -1.58 1.38 2.19 -1.01 -1.95 117.98 116.81 3iwk s PHE 288 Ca -0.01 1.43 0.00 0.00 0.33 0.00 0.00 56.93 58.69 3iwk s PHE 288 Cb 0.07 -3.74 0.00 0.00 -1.31 0.00 0.00 43.02 38.03 3iwk s PHE 288 CO 0.40 -2.92 0.00 2.41 1.83 0.00 0.00 175.22 176.94 3iwk n THR 289 N -1.53 -0.81 -2.19 0.12 -1.04 -1.26 -1.22 114.28 106.35 3iwk n THR 289 Ca 0.13 0.00 -0.20 0.00 -2.04 0.00 0.00 64.05 61.95 3iwk n THR 289 Cb 0.47 -2.54 -0.03 0.00 -1.82 0.00 0.00 70.33 66.41 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 -1.89 -5.63 0.00 8.00 3.02 -0.82 -1.50 115.26 116.43 3iwk n ASN 290 Ca -0.21 0.10 0.00 0.00 -0.03 0.00 0.00 54.58 54.44 3iwk n ASN 290 Cb 0.66 -4.71 0.00 0.00 -0.61 0.00 0.00 39.78 35.12 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 -0.90 1.15 2.74 7.41 0.00 -0.36 -2.60 105.19 112.62 3iwk n GLY 291 Ca -0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.00 4.16 -4.60 1.61 6.02 -0.56 -3.40 117.38 118.61 3iwk n GLN 292 Ca 0.00 -3.69 -0.29 0.00 -0.01 0.00 0.00 57.00 53.02 3iwk n GLN 292 Cb 0.00 -2.75 -0.17 0.00 1.02 0.00 0.00 30.24 28.34 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 -0.78 1.56 0.27 5.09 1.01 -1.26 -4.84 121.20 122.25 3iwk s ILE 293 Ca 0.43 -0.69 0.01 0.00 0.00 0.00 0.00 60.65 60.40 3iwk s ILE 293 Cb 0.13 -1.41 0.26 0.00 0.01 0.00 0.00 42.46 41.45 3iwk s ILE 293 CO -0.02 0.45 1.77 0.00 0.00 0.00 0.00 174.94 177.14 3iwk n SER 295 N -4.81 3.61 -4.58 0.00 3.41 -1.26 -2.47 113.62 107.52 3iwk n SER 295 Ca 0.19 -2.19 -0.54 0.00 -0.26 0.00 0.00 58.87 56.06 3iwk n SER 295 Cb 0.46 -0.46 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 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 1.06 -1.52 -2.70 7.33 0.00 -0.55 -4.65 120.51 119.47 3iwk n ALA 296 Ca 0.21 0.53 -0.43 0.00 0.00 0.00 0.00 53.44 53.74 3iwk n ALA 296 Cb 0.63 -2.01 -0.00 0.00 0.00 0.00 0.00 19.45 18.07 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 0.61 4.41 -1.97 0.00 -4.23 0.46 -3.00 115.64 111.92 3iwk s THR 297 Ca 0.87 -2.08 0.25 0.00 -1.18 0.00 0.00 61.69 59.55 3iwk s THR 297 Cb -1.04 -5.09 0.16 0.00 1.34 0.00 0.00 72.50 67.86 3iwk s THR 297 CO 0.51 -1.89 1.35 -1.54 -0.54 0.00 0.00 174.62 172.51 3iwk n SER 298 N 7.52 1.57 -4.10 3.99 3.41 -0.80 -4.29 113.62 120.94 3iwk n SER 298 Ca 0.44 -1.24 -0.33 0.00 -0.26 0.00 0.00 58.87 57.48 3iwk n SER 298 Cb 0.45 0.28 -0.15 0.00 -0.26 0.00 0.00 64.21 64.53 3iwk n SER 298 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3iwk s ARG 299 N -2.45 2.32 -0.06 4.33 0.52 -1.03 -1.36 118.95 121.23 3iwk s ARG 299 Ca 0.23 -1.30 -0.20 0.00 -0.52 0.00 0.00 55.73 53.93 3iwk s ARG 299 Cb 0.19 -2.94 -0.05 0.00 0.52 0.00 0.00 34.95 32.68 3iwk s ARG 299 CO 0.53 -0.56 0.58 -1.17 0.02 0.00 0.00 175.30 174.69 3iwk s LEU 300 N 1.14 4.35 -0.39 2.53 0.20 0.77 -0.66 118.68 126.63 3iwk s LEU 300 Ca -0.08 1.05 0.02 0.00 0.69 0.00 0.00 54.13 55.82 3iwk s LEU 300 Cb -0.20 -2.88 0.12 0.00 -0.43 0.00 0.00 46.19 42.80 3iwk s LEU 300 CO -0.05 0.02 0.16 -0.63 -0.29 0.00 0.00 176.35 175.56 3iwk s ILE 301 N 0.29 1.59 -0.12 6.68 1.01 -0.29 -0.95 121.20 129.41 3iwk s ILE 301 Ca 0.31 -2.26 -0.05 0.00 0.00 0.00 0.00 60.65 58.65 3iwk s ILE 301 Cb -0.17 -2.15 -0.04 0.00 0.01 0.00 0.00 42.46 40.11 3iwk s ILE 301 CO 0.15 -0.75 0.06 0.68 0.00 0.00 0.00 174.94 175.08 3iwk s VAL 302 N 0.77 4.85 0.31 2.92 -7.23 -0.82 -0.79 120.40 120.41 3iwk s VAL 302 Ca 0.14 -0.04 -0.29 0.00 -1.81 0.00 0.00 61.98 59.98 3iwk s VAL 302 Cb -0.21 -3.10 -0.11 0.00 0.56 0.00 0.00 36.38 33.52 3iwk s VAL 302 CO -0.09 0.58 1.53 -2.28 -0.31 0.00 0.00 175.10 174.53 3iwk s HIS 303 N -0.65 2.75 0.55 2.82 2.46 -0.51 -1.52 115.29 121.19 3iwk s HIS 303 Ca 0.12 0.95 0.24 0.00 0.47 0.00 0.00 55.06 56.84 3iwk s HIS 303 Cb -0.12 -4.00 1.56 0.00 -0.13 0.00 0.00 32.58 29.89 3iwk s HIS 303 CO 0.02 -3.21 2.20 1.05 -2.47 0.00 0.00 174.74 172.33 3iwk h GLU 304 N 4.28 0.00 0.00 2.88 4.11 -1.19 -1.63 114.58 123.02 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 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 3iwk h GLU 304 CO 0.74 0.01 0.00 0.66 0.07 0.00 0.00 179.01 180.49 3iwk h SER 305 N 0.00 0.00 0.00 3.06 4.64 -1.90 -3.10 113.55 116.26 3iwk h SER 305 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3iwk h SER 305 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 3iwk h SER 305 CO 0.00 0.00 0.00 2.30 -0.87 0.00 0.00 176.83 178.26 3iwk n ILE 306 N -2.95 0.00 -0.32 0.95 -5.35 -1.00 -4.91 119.36 105.78 3iwk n ILE 306 Ca 0.01 -0.44 -0.10 0.00 -0.27 0.00 0.00 62.75 61.94 3iwk n ILE 306 Cb 0.28 1.05 -0.07 0.00 -1.74 0.00 0.00 39.64 39.16 3iwk n ILE 306 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3iwk h ALA 307 N 0.00 -0.46 -0.32 -1.28 0.00 -1.22 -2.18 119.26 113.80 3iwk h ALA 307 Ca 0.00 0.12 -0.16 0.00 0.00 0.00 0.00 54.91 54.87 3iwk h ALA 307 Cb 0.02 1.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 3iwk h ALA 307 CO 0.00 -0.91 -0.43 -0.24 0.00 0.00 0.00 179.25 177.66 3iwk h VAL 308 N -0.12 1.28 -0.26 0.00 3.04 -1.89 -1.65 116.25 116.65 3iwk h VAL 308 Ca 0.17 -1.62 -0.18 0.00 -1.01 0.00 0.00 66.70 64.06 3iwk h VAL 308 Cb 0.50 1.49 -0.00 0.00 -2.01 0.00 0.00 31.29 31.27 3iwk h VAL 308 CO -0.84 0.53 -0.56 1.05 -1.01 0.00 0.00 177.57 176.74 3iwk h GLU 309 N 0.66 0.80 0.18 4.17 4.11 -1.93 -1.82 114.58 120.75 3iwk h GLU 309 Ca 0.04 -0.52 0.00 0.00 0.07 0.00 0.00 59.36 58.96 3iwk h GLU 309 Cb 1.01 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 3iwk h GLU 309 CO 0.10 1.14 -0.17 0.35 0.07 0.00 0.00 179.01 180.51 3iwk h PHE 310 N 0.61 -0.44 -0.91 2.06 3.57 -1.33 0.18 116.94 120.69 3iwk h PHE 310 Ca 0.01 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.58 3iwk h PHE 310 Cb 1.16 0.17 -0.07 0.00 2.79 0.00 0.00 35.95 40.00 3iwk h PHE 310 CO 0.07 -0.25 0.57 0.28 -2.23 0.00 0.00 178.31 176.75 3iwk h VAL 311 N -0.37 1.04 -0.63 1.41 2.07 -1.36 0.15 116.25 118.57 3iwk h VAL 311 Ca 0.00 -0.35 -0.04 0.00 0.82 0.00 0.00 66.70 67.13 3iwk h VAL 311 Cb 0.35 -0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.01 3iwk h VAL 311 CO -0.04 0.19 0.22 -0.78 0.02 0.00 0.00 177.57 177.18 3iwk h ASP 312 N 1.03 0.86 -0.65 0.57 3.58 -0.76 -1.11 116.42 119.93 3iwk h ASP 312 Ca 0.40 -0.13 -0.09 0.00 0.42 0.00 0.00 57.03 57.64 3iwk h ASP 312 Cb 0.21 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 41.01 3iwk h ASP 312 CO -0.19 0.79 0.06 0.11 -2.88 0.00 0.00 179.24 177.13 3iwk h LYS 313 N 0.91 1.10 -0.43 0.28 1.57 0.25 -2.60 116.57 117.65 3iwk h LYS 313 Ca 0.21 -0.32 0.06 0.00 -1.87 0.00 0.00 60.65 58.73 3iwk h LYS 313 Cb 0.22 -0.12 -0.05 0.00 0.08 0.00 0.00 32.23 32.37 3iwk h LYS 313 CO -0.01 1.04 0.14 -0.07 -0.57 0.00 0.00 179.45 179.97 3iwk h LEU 314 N 1.02 0.12 -0.89 2.94 4.07 -0.46 -0.48 115.31 121.63 3iwk h LEU 314 Ca 0.19 0.06 0.06 0.00 0.08 0.00 0.00 57.88 58.27 3iwk h LEU 314 Cb 0.50 0.05 -0.06 0.00 1.08 0.00 0.00 40.66 42.23 3iwk h LEU 314 CO 0.02 0.10 0.55 0.58 -1.08 0.00 0.00 178.44 178.62 3iwk h VAL 315 N 0.29 1.04 -0.21 1.22 2.07 -1.07 0.15 116.25 119.75 3iwk h VAL 315 Ca 0.21 -0.34 -0.03 0.00 0.82 0.00 0.00 66.70 67.35 3iwk h VAL 315 Cb 0.22 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 29.93 3iwk h VAL 315 CO -0.23 0.18 0.01 0.11 0.02 0.00 0.00 177.57 177.67 3iwk h LYS 316 N 1.00 0.37 -0.49 1.57 1.57 -1.00 -0.52 116.57 119.07 3iwk h LYS 316 Ca 0.39 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 59.05 3iwk h LYS 316 Cb 0.18 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 3iwk h LYS 316 CO -0.18 0.54 0.26 -1.49 -0.57 0.00 0.00 179.45 178.02 3iwk h TRP 317 N 0.14 0.68 -0.47 -1.35 4.06 -0.78 -2.59 115.95 115.64 3iwk h TRP 317 Ca 0.06 -0.02 -0.01 0.00 2.06 0.00 0.00 58.89 60.98 3iwk h TRP 317 Cb 0.37 -0.22 -0.02 0.00 -1.00 0.00 0.00 29.16 28.29 3iwk h TRP 317 CO 0.03 0.51 0.24 0.00 -3.56 0.00 0.00 178.44 175.66 3iwk h ALA 318 N 1.10 0.61 0.00 1.49 0.00 -0.61 -2.89 119.26 118.96 3iwk h ALA 318 Ca 0.17 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3iwk h ALA 318 Cb 0.06 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3iwk h ALA 318 CO -0.03 0.16 0.00 0.93 0.00 0.00 0.00 179.25 180.31 3iwk h GLU 319 N 0.62 0.00 -0.53 0.00 5.08 -1.00 -2.38 114.58 116.36 3iwk h GLU 319 Ca 0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3iwk h GLU 319 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3iwk h GLU 319 CO -0.02 0.00 0.00 -1.71 -1.00 0.00 0.00 179.01 176.28 3iwk n ASN 320 N -2.94 2.91 -4.65 1.42 5.15 -0.98 -4.88 115.26 111.29 3iwk n ASN 320 Ca 0.01 -2.09 -0.42 0.00 -0.60 0.00 0.00 54.58 51.49 3iwk n ASN 320 Cb 0.32 -0.38 -0.04 0.00 -0.53 0.00 0.00 39.78 39.15 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 -1.45 4.82 -0.18 -1.44 1.01 -0.90 -5.00 121.20 118.06 3iwk s ILE 321 Ca 0.34 1.66 -0.29 0.00 0.00 0.00 0.00 60.65 62.36 3iwk s ILE 321 Cb 0.19 -4.15 -0.03 0.00 0.01 0.00 0.00 42.46 38.48 3iwk s ILE 321 CO 0.21 -0.07 1.51 -0.75 0.00 0.00 0.00 174.94 175.85 3iwk s LYS 322 N 2.75 3.98 -0.21 2.79 2.20 -1.26 -4.90 119.74 125.09 3iwk s LYS 322 Ca 0.37 1.72 -0.08 0.00 -0.36 0.00 0.00 55.97 57.62 3iwk s LYS 322 Cb -0.16 -3.95 -0.04 0.00 -1.51 0.00 0.00 37.83 32.17 3iwk s LYS 322 CO 0.08 -1.06 0.08 0.42 -0.36 0.00 0.00 175.35 174.51 3iwk s ILE 323 N 4.51 4.76 0.05 5.43 1.01 -1.26 -1.31 121.20 134.38 3iwk s ILE 323 Ca 0.67 -0.04 -0.06 0.00 0.00 0.00 0.00 60.65 61.22 3iwk s ILE 323 Cb -0.25 -3.18 0.02 0.00 0.01 0.00 0.00 42.46 39.06 3iwk s ILE 323 CO 0.26 0.41 0.30 -1.54 0.00 0.00 0.00 174.94 174.36 3iwk n SER 324 N 4.02 -0.48 -4.67 3.58 3.41 -0.92 -5.00 113.62 113.56 3iwk n SER 324 Ca -0.16 -1.24 -0.45 0.00 -0.26 0.00 0.00 58.87 56.76 3iwk n SER 324 Cb 0.52 0.77 -0.02 0.00 -0.26 0.00 0.00 64.21 65.22 3iwk n SER 324 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3iwk n ASP 325 N -0.74 2.76 0.15 4.04 2.03 -1.26 -4.31 116.55 119.21 3iwk n ASP 325 Ca -0.00 1.15 0.16 0.00 0.52 0.00 0.00 54.79 56.61 3iwk n ASP 325 Cb 0.17 -1.43 0.74 0.00 -0.72 0.00 0.00 41.12 39.87 3iwk n ASP 325 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3iwk h PRO 326 N 4.06 0.00 0.00 -0.67 0.11 -1.87 -2.05 132.00 131.58 3iwk h PRO 326 Ca -0.45 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.57 3iwk h PRO 326 Cb 1.28 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 3iwk h PRO 326 CO 0.75 0.00 -0.52 -0.07 -0.21 0.00 0.00 178.00 177.95 3iwk h LEU 327 N 0.00 0.00 -9.87 2.35 3.38 -1.90 -0.99 115.31 108.28 3iwk h LEU 327 Ca 0.12 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.56 3iwk h LEU 327 Cb 0.56 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.40 3iwk h LEU 327 CO -0.00 0.41 0.80 -0.70 0.09 0.00 0.00 178.44 179.03 3iwk s GLU 328 N -3.01 4.16 0.43 1.13 2.12 -0.77 -4.93 118.70 117.82 3iwk s GLU 328 Ca 0.04 2.51 -0.26 0.00 0.36 0.00 0.00 54.97 57.62 3iwk s GLU 328 Cb 0.07 -3.01 -0.08 0.00 0.26 0.00 0.00 34.13 31.37 3iwk s GLU 328 CO 0.74 -0.52 1.38 -2.00 -0.54 0.00 0.00 175.26 174.32 3iwk s GLU 329 N -1.35 3.80 0.00 4.30 2.12 -1.26 -2.60 118.70 123.70 3iwk s GLU 329 Ca 0.56 2.31 0.00 0.00 0.36 0.00 0.00 54.97 58.21 3iwk s GLU 329 Cb -0.46 -2.69 0.00 0.00 0.26 0.00 0.00 34.13 31.24 3iwk s GLU 329 CO 0.55 -0.69 0.00 0.41 -0.54 0.00 0.00 175.26 174.99 3iwk n GLY 330 N 0.61 1.15 3.69 -1.50 0.00 -1.26 -4.99 105.19 102.88 3iwk n GLY 330 Ca 0.05 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.62 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 2.86 1.93 -3.67 0.00 5.12 -0.43 -4.85 116.66 117.62 3iwk n ARG 332 Ca 0.14 -0.12 -0.08 0.00 -1.93 0.00 0.00 57.85 55.86 3iwk n ARG 332 Cb 0.32 -0.49 -0.09 0.00 -1.16 0.00 0.00 32.46 31.04 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 -0.62 -0.60 0.00 0.55 2.96 -0.84 -4.90 118.68 115.23 3iwk s LEU 333 Ca 0.00 1.12 0.00 0.00 -0.22 0.00 0.00 54.13 55.03 3iwk s LEU 333 Cb 0.00 1.64 0.00 0.00 0.50 0.00 0.00 46.19 48.33 3iwk s LEU 333 CO 0.00 -0.22 0.00 0.61 -1.32 0.00 0.00 176.35 175.42 3iwk n GLY 334 N 4.92 2.60 3.86 7.98 0.00 -1.26 -2.17 105.19 121.13 3iwk n GLY 334 Ca -0.15 -2.13 -0.30 0.00 0.00 0.00 0.00 46.02 43.44 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 -1.26 3.03 0.51 1.61 0.04 -1.22 -4.80 135.00 132.90 3iwk s PRO 335 Ca 0.00 0.62 -0.21 0.00 0.04 0.00 0.00 61.00 61.45 3iwk s PRO 335 Cb 0.00 -2.03 -0.06 0.00 0.04 0.00 0.00 34.50 32.45 3iwk s PRO 335 CO 0.00 -0.95 1.16 0.42 0.04 0.00 0.00 177.00 177.67 3iwk s ILE 336 N -3.25 3.03 0.31 0.56 -1.09 0.15 -4.71 121.20 116.19 3iwk s ILE 336 Ca 0.57 0.71 0.02 0.00 -2.23 0.00 0.00 60.65 59.72 3iwk s ILE 336 Cb -0.12 -3.32 0.29 0.00 -1.58 0.00 0.00 42.46 37.73 3iwk s ILE 336 CO 0.53 -0.08 1.88 1.62 -1.23 0.00 0.00 174.94 177.67 3iwk h VAL 337 N 1.48 0.99 -3.70 2.92 3.04 -1.88 -3.42 116.25 115.68 3iwk h VAL 337 Ca -0.50 -0.33 -0.07 0.00 -1.01 0.00 0.00 66.70 64.79 3iwk h VAL 337 Cb 1.26 -0.06 -0.10 0.00 -2.01 0.00 0.00 31.29 30.38 3iwk h VAL 337 CO 0.58 0.18 -0.17 -0.94 -1.01 0.00 0.00 177.57 176.21 3iwk s SER 338 N -5.89 -0.07 0.11 3.17 1.04 -1.26 -4.46 113.70 106.33 3iwk s SER 338 Ca -0.11 -0.86 -0.21 0.00 0.48 0.00 0.00 55.95 55.25 3iwk s SER 338 Cb 0.21 0.54 -0.10 0.00 0.10 0.00 0.00 66.02 66.77 3iwk s SER 338 CO 0.80 -1.05 1.76 -0.08 0.98 0.00 0.00 173.24 175.64 3iwk h GLU 339 N 2.33 0.18 -0.83 4.02 4.81 -1.98 0.46 114.58 123.57 3iwk h GLU 339 Ca -0.28 -0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.00 3iwk h GLU 339 Cb 1.25 -0.04 -0.06 0.00 0.63 0.00 0.00 28.75 30.53 3iwk h GLU 339 CO 0.40 0.13 0.50 0.00 -0.73 0.00 0.00 179.01 179.31 3iwk h ALA 340 N 1.04 1.14 -0.22 2.92 0.00 -2.00 -0.46 119.26 121.68 3iwk h ALA 340 Ca 0.05 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 3iwk h ALA 340 Cb -0.01 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 3iwk h ALA 340 CO -0.01 0.23 -0.19 1.96 0.00 0.00 0.00 179.25 181.23 3iwk h GLN 341 N 0.91 0.52 -0.58 0.00 1.08 -1.93 -2.48 115.11 112.63 3iwk h GLN 341 Ca 0.37 -0.26 0.10 0.00 -1.45 0.00 0.00 58.65 57.40 3iwk h GLN 341 Cb 0.19 0.00 -0.08 0.00 -0.05 0.00 0.00 27.48 27.55 3iwk h GLN 341 CO -0.18 0.84 0.17 -0.92 -0.95 0.00 0.00 178.83 177.79 3iwk h TYR 342 N 0.21 0.29 -0.54 2.96 3.20 -0.32 0.14 116.97 122.91 3iwk h TYR 342 Ca 0.04 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.88 3iwk h TYR 342 Cb 0.73 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.94 3iwk h TYR 342 CO 0.07 0.04 0.09 0.87 -1.64 0.00 0.00 178.16 177.59 3iwk h LYS 343 N 0.33 0.90 -0.73 1.82 1.57 -1.12 -1.35 116.57 117.99 3iwk h LYS 343 Ca 0.30 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 3iwk h LYS 343 Cb 0.40 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 3iwk h LYS 343 CO -0.34 0.87 0.40 0.87 -0.57 0.00 0.00 179.45 180.69 3iwk h LYS 344 N 0.79 1.02 0.20 3.15 1.57 -0.87 0.31 116.57 122.73 3iwk h LYS 344 Ca 0.16 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 3iwk h LYS 344 Cb 0.41 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.52 3iwk h LYS 344 CO 0.01 0.75 -0.09 0.28 -0.57 0.00 0.00 179.45 179.83 3iwk h VAL 345 N 1.01 0.85 -0.89 0.50 2.07 -0.66 -2.00 116.25 117.12 3iwk h VAL 345 Ca 0.26 -0.19 0.10 0.00 0.82 0.00 0.00 66.70 67.69 3iwk h VAL 345 Cb 0.03 0.96 -0.08 0.00 -1.52 0.00 0.00 31.29 30.68 3iwk h VAL 345 CO -0.04 0.04 0.53 -0.07 0.02 0.00 0.00 177.57 178.05 3iwk h LEU 346 N -0.36 0.77 -1.14 2.57 3.38 -1.01 -2.24 115.31 117.28 3iwk h LEU 346 Ca -0.03 0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 3iwk h LEU 346 Cb 0.28 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 3iwk h LEU 346 CO 0.04 0.43 -0.07 0.78 0.09 0.00 0.00 178.44 179.71 3iwk h ASN 347 N 0.87 0.49 -0.70 -0.43 -0.26 -0.23 -2.19 115.58 113.12 3iwk h ASN 347 Ca 0.43 -0.11 -0.04 0.00 -0.56 0.00 0.00 56.30 56.02 3iwk h ASN 347 Cb 0.40 -0.13 -0.03 0.00 -1.06 0.00 0.00 38.32 37.50 3iwk h ASN 347 CO -0.25 0.61 0.28 0.00 -1.06 0.00 0.00 177.43 177.01 3iwk h ILE 349 N 1.01 1.20 -0.46 0.00 2.04 -1.17 -1.95 117.51 118.19 3iwk h ILE 349 Ca 0.23 -0.64 -0.14 0.00 1.00 0.00 0.00 64.86 65.32 3iwk h ILE 349 Cb 0.22 1.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.65 3iwk h ILE 349 CO -0.02 0.19 -0.25 0.77 0.00 0.00 0.00 178.15 178.85 3iwk h SER 350 N 0.03 1.02 0.00 1.72 4.64 -1.39 -2.06 113.55 117.51 3iwk h SER 350 Ca 0.04 -0.41 -0.00 0.00 -0.47 0.00 0.00 61.79 60.95 3iwk h SER 350 Cb 0.27 -0.28 -0.00 0.00 -0.31 0.00 0.00 62.40 62.07 3iwk h SER 350 CO 0.00 1.20 -0.00 0.28 -0.87 0.00 0.00 176.83 177.44 3iwk h SER 351 N 0.84 0.00 -0.06 4.97 0.02 -1.32 -0.31 113.55 117.68 3iwk h SER 351 Ca 0.10 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 3iwk h SER 351 Cb 0.83 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.37 3iwk h SER 351 CO 0.07 0.00 0.01 0.00 -1.14 0.00 0.00 176.83 175.78 3iwk h ALA 352 N 2.00 0.08 -0.55 3.77 0.00 -0.66 -2.10 119.26 121.79 3iwk h ALA 352 Ca -0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3iwk h ALA 352 Cb 0.01 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3iwk h ALA 352 CO 0.00 -0.28 0.29 -0.22 0.00 0.00 0.00 179.25 179.04 3iwk h LYS 353 N -0.15 0.77 -0.09 0.00 3.64 -1.01 -1.89 116.57 117.85 3iwk h LYS 353 Ca 0.02 -0.10 0.03 0.00 -1.27 0.00 0.00 60.65 59.33 3iwk h LYS 353 Cb 0.28 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 31.94 3iwk h LYS 353 CO 0.00 0.61 0.07 0.77 -2.27 0.00 0.00 179.45 178.63 3iwk h SER 354 N 0.74 0.00 0.04 4.20 0.02 -1.03 -0.91 113.55 116.61 3iwk h SER 354 Ca 0.19 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 3iwk h SER 354 Cb 0.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.60 3iwk h SER 354 CO -0.03 0.00 -0.05 -0.62 -1.14 0.00 0.00 176.83 174.99 3iwk n GLU 355 N -4.35 1.47 0.00 3.45 1.02 -0.80 -4.93 120.64 116.50 3iwk n GLU 355 Ca -0.01 -0.83 0.00 0.00 -0.02 0.00 0.00 57.16 56.30 3iwk n GLU 355 Cb 0.18 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.12 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 1.20 0.78 3.83 0.62 0.00 -0.34 -5.04 105.19 106.24 3iwk n GLY 356 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 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 2.56 -0.22 4.61 0.00 -0.73 -4.97 121.76 121.00 3iwk s ALA 357 Ca 0.00 -0.20 -0.07 0.00 0.00 0.00 0.00 51.96 51.68 3iwk s ALA 357 Cb 0.00 -3.09 -0.03 0.00 0.00 0.00 0.00 23.12 20.00 3iwk s ALA 357 CO 0.00 -1.42 0.07 0.99 0.00 0.00 0.00 175.76 175.40 3iwk s THR 358 N -3.21 4.48 -0.57 0.00 2.01 -0.26 -4.35 115.64 113.74 3iwk s THR 358 Ca 0.59 -0.13 -0.25 0.00 0.31 0.00 0.00 61.69 62.22 3iwk s THR 358 Cb -0.13 -3.06 0.04 0.00 0.01 0.00 0.00 72.50 69.35 3iwk s THR 358 CO 0.54 0.38 1.01 -0.63 -0.69 0.00 0.00 174.62 175.22 3iwk s ILE 359 N 1.17 4.28 0.04 1.82 -1.09 -1.26 -0.99 121.20 125.17 3iwk s ILE 359 Ca 0.04 0.39 -0.16 0.00 -2.23 0.00 0.00 60.65 58.69 3iwk s ILE 359 Cb -0.14 -4.60 -0.25 0.00 -1.58 0.00 0.00 42.46 35.89 3iwk s ILE 359 CO 0.03 -1.20 1.13 -0.07 -1.23 0.00 0.00 174.94 173.60 3iwk h LEU 360 N 11.26 0.77 -7.62 2.97 3.38 -1.60 -3.48 115.31 120.99 3iwk h LEU 360 Ca -0.26 -0.77 -0.09 0.00 0.09 0.00 0.00 57.88 56.85 3iwk h LEU 360 Cb 1.07 -0.24 -0.16 0.00 0.09 0.00 0.00 40.66 41.42 3iwk h LEU 360 CO 1.12 1.44 -0.28 0.28 0.09 0.00 0.00 178.44 181.09 3iwk s THR 361 N -3.17 0.10 0.00 0.22 -1.32 -1.23 -5.00 115.64 105.23 3iwk s THR 361 Ca -0.11 -0.81 0.00 0.00 -1.21 0.00 0.00 61.69 59.56 3iwk s THR 361 Cb 0.05 -1.04 0.00 0.00 -1.51 0.00 0.00 72.50 70.00 3iwk s THR 361 CO 0.89 -0.45 0.00 0.61 -2.21 0.00 0.00 174.62 173.46 3iwk n GLY 362 N 0.38 0.72 1.95 6.08 0.00 -1.23 -2.74 105.19 110.35 3iwk n GLY 362 Ca -0.18 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.07 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 0.47 3.09 -0.02 0.00 -1.25 -4.96 105.19 102.52 3iwk n GLY 363 Ca 0.00 -0.40 -0.07 0.00 0.00 0.00 0.00 46.02 45.54 3iwk n GLY 363 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3iwk s ARG 364 N -0.75 0.63 0.25 1.61 0.52 -1.26 -4.99 118.95 114.96 3iwk s ARG 364 Ca 0.00 -1.23 -0.30 0.00 -0.52 0.00 0.00 55.73 53.68 3iwk s ARG 364 Cb 0.00 0.21 -0.09 0.00 0.52 0.00 0.00 34.95 35.59 3iwk s ARG 364 CO 0.00 -0.12 0.98 -0.98 0.02 0.00 0.00 175.30 175.20 3iwk s ARG 365 N -3.93 4.80 0.54 3.54 1.70 -1.26 -1.36 118.95 122.98 3iwk s ARG 365 Ca 0.08 1.57 -0.21 0.00 -0.47 0.00 0.00 55.73 56.70 3iwk s ARG 365 Cb 0.08 -3.26 -0.05 0.00 -0.57 0.00 0.00 34.95 31.15 3iwk s ARG 365 CO -0.09 0.43 1.30 -2.14 -1.08 0.00 0.00 175.30 173.71 3iwk s PRO 366 N -1.22 3.21 0.15 3.89 0.02 -1.26 -4.91 135.00 134.88 3iwk s PRO 366 Ca 0.42 2.08 -0.14 0.00 0.02 0.00 0.00 61.00 63.38 3iwk s PRO 366 Cb -0.28 -2.22 0.03 0.00 0.02 0.00 0.00 34.50 32.05 3iwk s PRO 366 CO 0.34 -1.08 1.71 0.93 -0.33 0.00 0.00 177.00 178.57 3iwk h GLU 367 N 1.46 0.72 0.00 5.54 4.39 -2.01 -2.93 114.58 121.75 3iwk h GLU 367 Ca -0.51 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 59.07 3iwk h GLU 367 Cb 1.29 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.82 3iwk h GLU 367 CO 0.57 0.63 0.00 -2.39 -1.16 0.00 0.00 179.01 176.66 3iwk n HIS 368 N -4.58 0.00 -3.73 4.33 1.44 -1.26 -4.42 115.22 107.00 3iwk n HIS 368 Ca 0.02 0.00 -0.30 0.00 -2.01 0.00 0.00 57.72 55.43 3iwk n HIS 368 Cb 0.14 -0.04 -0.14 0.00 0.12 0.00 0.00 29.99 30.07 3iwk n HIS 368 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 3iwk s LEU 369 N -2.08 2.43 0.02 2.39 1.43 -1.11 -4.98 118.68 116.79 3iwk s LEU 369 Ca 0.36 -1.99 0.24 0.00 -1.03 0.00 0.00 54.13 51.71 3iwk s LEU 369 Cb 0.17 -0.93 0.31 0.00 0.03 0.00 0.00 46.19 45.78 3iwk s LEU 369 CO 0.30 -0.36 1.27 0.29 0.23 0.00 0.00 176.35 178.08 3iwk n LYS 370 N 4.38 0.09 -4.35 1.70 5.02 -1.26 -4.49 118.16 119.24 3iwk n LYS 370 Ca 0.02 0.01 -0.25 0.00 -2.02 0.00 0.00 58.31 56.07 3iwk n LYS 370 Cb 0.39 -1.54 -0.12 0.00 -0.02 0.00 0.00 35.03 33.75 3iwk n LYS 370 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3iwk s LYS 371 N -3.05 1.30 0.00 1.97 1.02 -1.26 -5.10 119.74 114.62 3iwk s LYS 371 Ca 0.09 -1.34 0.00 0.00 0.02 0.00 0.00 55.97 54.74 3iwk s LYS 371 Cb 0.16 -1.56 0.00 0.00 -0.52 0.00 0.00 37.83 35.91 3iwk s LYS 371 CO 0.74 0.35 0.00 0.41 -0.92 0.00 0.00 175.35 175.93 3iwk n GLY 372 N 0.67 1.77 2.31 -3.33 0.00 -1.26 -4.77 105.19 100.58 3iwk n GLY 372 Ca -0.16 -1.82 -0.36 0.00 0.00 0.00 0.00 46.02 43.68 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 1.63 2.18 -3.57 1.61 0.53 -0.50 -4.92 117.16 114.13 3iwk n TYR 373 Ca 0.00 -2.86 -0.37 0.00 -1.02 0.00 0.00 57.90 53.65 3iwk n TYR 373 Cb 0.00 -2.27 -0.06 0.00 -1.03 0.00 0.00 39.34 35.98 3iwk n TYR 373 CO 0.00 0.00 0.00 -0.06 -1.02 0.00 0.00 176.86 175.78 3iwk s PHE 374 N 1.39 3.59 0.02 -0.72 0.40 -1.26 0.29 117.98 121.69 3iwk s PHE 374 Ca 0.67 0.75 0.03 0.00 -0.60 0.00 0.00 56.93 57.78 3iwk s PHE 374 Cb 0.20 -2.26 -0.02 0.00 0.51 0.00 0.00 43.02 41.45 3iwk s PHE 374 CO -0.06 0.48 -0.10 0.08 0.70 0.00 0.00 175.22 176.32 3iwk s VAL 375 N -0.38 0.79 0.48 -0.44 1.01 -1.26 -4.36 120.40 116.23 3iwk s VAL 375 Ca 0.20 -0.73 -0.21 0.00 0.00 0.00 0.00 61.98 61.24 3iwk s VAL 375 Cb -0.14 -0.72 -0.08 0.00 0.00 0.00 0.00 36.38 35.44 3iwk s VAL 375 CO 0.08 0.00 1.07 -1.61 0.00 0.00 0.00 175.10 174.64 3iwk s GLU 376 N -0.81 3.75 0.17 2.72 2.02 -0.46 -4.91 118.70 121.19 3iwk s GLU 376 Ca -0.00 1.47 -0.33 0.00 0.02 0.00 0.00 54.97 56.13 3iwk s GLU 376 Cb -0.06 -2.16 -0.13 0.00 0.10 0.00 0.00 34.13 31.88 3iwk s GLU 376 CO 0.00 -0.49 1.64 -2.30 0.02 0.00 0.00 175.26 174.14 3iwk n PRO 377 N -0.87 2.39 -5.18 0.39 -0.02 -1.26 -3.88 135.00 126.56 3iwk n PRO 377 Ca 0.09 0.86 -0.32 0.00 -2.02 0.00 0.00 63.50 62.11 3iwk n PRO 377 Cb 0.51 -2.66 -0.16 0.00 -0.02 0.00 0.00 33.50 31.17 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 1.10 2.19 -0.10 3.45 2.01 0.61 -3.53 115.64 121.37 3iwk s THR 378 Ca 0.78 -0.99 0.03 0.00 0.31 0.00 0.00 61.69 61.82 3iwk s THR 378 Cb -0.61 -1.83 0.00 0.00 0.01 0.00 0.00 72.50 70.07 3iwk s THR 378 CO 0.36 0.56 -0.21 -0.63 -0.69 0.00 0.00 174.62 174.01 3iwk s ILE 379 N 0.16 1.86 -0.17 1.82 1.01 -1.11 -0.43 121.20 124.35 3iwk s ILE 379 Ca -0.13 -0.90 0.01 0.00 0.00 0.00 0.00 60.65 59.63 3iwk s ILE 379 Cb -0.16 -1.62 0.03 0.00 0.01 0.00 0.00 42.46 40.71 3iwk s ILE 379 CO 0.07 0.51 -0.16 -0.63 0.00 0.00 0.00 174.94 174.73 3iwk s ILE 380 N 0.48 1.82 0.26 2.92 1.01 0.16 -1.35 121.20 126.49 3iwk s ILE 380 Ca -0.16 -0.85 0.02 0.00 0.00 0.00 0.00 60.65 59.65 3iwk s ILE 380 Cb -0.17 -1.71 0.02 0.00 0.01 0.00 0.00 42.46 40.61 3iwk s ILE 380 CO 0.06 0.44 0.17 0.35 0.00 0.00 0.00 174.94 175.97 3iwk n THR 381 N 4.68 0.00 -3.85 2.92 -2.24 -0.16 -0.42 114.28 115.21 3iwk n THR 381 Ca -0.18 -1.06 -0.24 0.00 -2.27 0.00 0.00 64.05 60.29 3iwk n THR 381 Cb 0.49 -0.22 0.01 0.00 -2.10 0.00 0.00 70.33 68.51 3iwk n THR 381 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3iwk n ASP 382 N -1.84 -1.21 -4.88 3.42 10.43 -1.26 -1.10 116.55 120.10 3iwk n ASP 382 Ca -0.02 -0.90 -0.35 0.00 2.57 0.00 0.00 54.79 56.09 3iwk n ASP 382 Cb 0.30 -3.57 -0.05 0.00 1.84 0.00 0.00 41.12 39.63 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 -3.74 5.27 0.11 2.53 1.01 -1.26 -4.20 120.40 120.12 3iwk s VAL 383 Ca 0.09 0.23 0.10 0.00 0.00 0.00 0.00 61.98 62.40 3iwk s VAL 383 Cb -0.05 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 3iwk s VAL 383 CO 0.85 0.37 -0.25 -0.89 0.00 0.00 0.00 175.10 175.18 3iwk s THR 384 N -1.29 2.10 0.53 3.92 2.01 -1.26 -4.86 115.64 116.78 3iwk s THR 384 Ca 0.28 -1.63 0.30 0.00 0.31 0.00 0.00 61.69 60.94 3iwk s THR 384 Cb -0.13 -1.85 0.34 0.00 0.01 0.00 0.00 72.50 70.86 3iwk s THR 384 CO 0.16 0.11 2.19 0.71 -0.69 0.00 0.00 174.62 177.10 3iwk h THR 385 N 4.00 0.51 -0.00 -0.82 1.35 -1.99 -0.48 112.91 115.48 3iwk h THR 385 Ca -0.49 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.17 3iwk h THR 385 Cb 1.17 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 68.72 3iwk h THR 385 CO 0.40 0.04 -0.04 -1.54 -0.25 0.00 0.00 175.52 174.13 3iwk n SER 386 N -3.73 0.06 -4.79 5.36 3.41 -1.26 -4.64 113.62 108.02 3iwk n SER 386 Ca -0.03 0.23 -0.33 0.00 -0.26 0.00 0.00 58.87 58.48 3iwk n SER 386 Cb 0.14 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 63.72 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 -2.86 3.38 0.23 4.33 1.00 -0.19 -4.97 119.30 120.22 3iwk s MET 387 Ca 0.18 1.33 -0.05 0.00 0.00 0.00 0.00 55.69 57.16 3iwk s MET 387 Cb 0.19 -2.03 0.24 0.00 0.00 0.00 0.00 34.83 33.23 3iwk s MET 387 CO 0.52 -0.78 1.73 1.96 0.00 0.00 0.00 175.02 178.46 3iwk h GLN 388 N 0.78 0.94 0.00 2.03 4.20 -1.90 -2.66 115.11 118.50 3iwk h GLN 388 Ca -0.48 -0.25 0.00 0.00 0.06 0.00 0.00 58.65 57.98 3iwk h GLN 388 Cb 1.23 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.90 3iwk h GLN 388 CO 0.57 0.89 0.00 0.44 -0.67 0.00 0.00 178.83 180.07 3iwk n ILE 389 N -4.22 0.83 0.05 2.54 -6.64 -1.26 0.04 119.36 110.70 3iwk n ILE 389 Ca 0.03 0.19 -0.17 0.00 -1.77 0.00 0.00 62.75 61.03 3iwk n ILE 389 Cb 0.29 -1.01 -0.14 0.00 -1.44 0.00 0.00 39.64 37.34 3iwk n ILE 389 CO 0.00 0.00 0.00 -0.25 -1.77 0.00 0.00 176.55 174.53 3iwk h TRP 390 N 0.00 0.43 0.10 4.28 2.91 -1.76 -3.42 115.95 118.50 3iwk h TRP 390 Ca 0.00 -0.31 -0.36 0.00 1.13 0.00 0.00 58.89 59.34 3iwk h TRP 390 Cb 0.35 -0.02 -0.02 0.00 -0.51 0.00 0.00 29.16 28.96 3iwk h TRP 390 CO 0.00 1.40 -2.02 0.54 -1.03 0.00 0.00 178.44 177.33 3iwk n ARG 391 N -3.43 0.74 -4.14 2.65 1.74 -0.86 -4.98 116.66 108.38 3iwk n ARG 391 Ca -0.18 0.27 -0.36 0.00 -0.77 0.00 0.00 57.85 56.81 3iwk n ARG 391 Cb 1.05 -1.69 -0.08 0.00 -1.02 0.00 0.00 32.46 30.72 3iwk n ARG 391 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 3iwk s GLU 392 N -2.54 3.18 -0.05 5.56 2.12 0.11 -4.94 118.70 122.13 3iwk s GLU 392 Ca -0.24 -0.30 -0.30 0.00 0.36 0.00 0.00 54.97 54.49 3iwk s GLU 392 Cb 0.07 -2.96 -0.05 0.00 0.26 0.00 0.00 34.13 31.44 3iwk s GLU 392 CO 0.74 0.73 1.56 -2.00 -0.54 0.00 0.00 175.26 175.75 3iwk s GLU 393 N -1.03 4.20 -0.08 4.30 2.12 -1.26 -4.71 118.70 122.25 3iwk s GLU 393 Ca 0.15 2.10 -0.20 0.00 0.36 0.00 0.00 54.97 57.37 3iwk s GLU 393 Cb -0.12 -3.87 -0.29 0.00 0.26 0.00 0.00 34.13 30.11 3iwk s GLU 393 CO 0.04 -0.78 0.76 0.28 -0.54 0.00 0.00 175.26 175.02 3iwk h VAL 394 N 5.41 1.35 -3.93 3.70 2.07 -1.93 -3.48 116.25 119.43 3iwk h VAL 394 Ca -0.38 -2.47 -0.31 0.00 0.82 0.00 0.00 66.70 64.36 3iwk h VAL 394 Cb 1.17 3.02 0.07 0.00 -1.52 0.00 0.00 31.29 34.03 3iwk h VAL 394 CO 0.95 0.69 -0.48 0.33 0.02 0.00 0.00 177.57 179.08 3iwk n PHE 395 N -4.09 -1.75 -4.12 1.57 7.35 -1.26 -4.68 117.46 110.47 3iwk n PHE 395 Ca -0.18 0.53 -0.15 0.00 -0.76 0.00 0.00 57.45 56.90 3iwk n PHE 395 Cb 0.83 -3.83 -0.05 0.00 0.35 0.00 0.00 39.48 36.78 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 -2.94 1.53 -1.00 7.13 0.00 -1.22 -4.33 107.32 106.49 3iwk s GLY 396 Ca 0.31 -1.57 -0.18 0.00 0.00 0.00 0.00 44.72 43.28 3iwk s GLY 396 CO 0.38 -1.08 2.05 -1.55 0.00 0.00 0.00 173.10 172.90 3iwk n PRO 397 N -0.53 1.99 -3.75 2.90 -0.04 -1.07 -4.45 135.00 130.05 3iwk n PRO 397 Ca 0.02 -2.05 -0.26 0.00 -0.04 0.00 0.00 63.50 61.16 3iwk n PRO 397 Cb 0.62 -3.00 -0.17 0.00 -0.04 0.00 0.00 33.50 30.92 3iwk n PRO 397 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3iwk s VAL 398 N 4.30 0.49 -0.21 0.52 1.01 -1.26 -0.28 120.40 124.97 3iwk s VAL 398 Ca 0.53 -0.37 -0.07 0.00 0.00 0.00 0.00 61.98 62.07 3iwk s VAL 398 Cb 0.14 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.59 3iwk s VAL 398 CO 0.04 -0.08 0.06 -0.22 0.00 0.00 0.00 175.10 174.91 3iwk s LEU 399 N 1.89 3.64 -0.08 3.92 2.96 0.43 -4.85 118.68 126.59 3iwk s LEU 399 Ca 0.01 -0.04 -0.14 0.00 -0.22 0.00 0.00 54.13 53.74 3iwk s LEU 399 Cb -0.16 -1.94 -0.05 0.00 0.50 0.00 0.00 46.19 44.54 3iwk s LEU 399 CO -0.07 0.09 0.34 0.00 -1.32 0.00 0.00 176.35 175.39 3iwk s ALA 400 N 0.86 3.66 -0.15 5.97 0.00 -0.47 0.35 121.76 131.98 3iwk s ALA 400 Ca 0.03 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 51.65 3iwk s ALA 400 Cb -0.14 -2.36 0.03 0.00 0.00 0.00 0.00 23.12 20.65 3iwk s ALA 400 CO 0.02 0.32 -0.13 0.08 0.00 0.00 0.00 175.76 176.05 3iwk s VAL 401 N -0.38 1.55 0.37 0.00 1.01 0.44 -0.16 120.40 123.23 3iwk s VAL 401 Ca 0.20 -0.66 0.09 0.00 0.00 0.00 0.00 61.98 61.61 3iwk s VAL 401 Cb -0.15 -1.48 -0.07 0.00 0.00 0.00 0.00 36.38 34.68 3iwk s VAL 401 CO 0.09 0.41 -0.05 -0.54 0.00 0.00 0.00 175.10 175.01 3iwk s LYS 402 N 1.49 1.89 0.26 2.72 1.02 -0.12 -4.03 119.74 122.98 3iwk s LYS 402 Ca 0.04 -1.98 0.11 0.00 0.02 0.00 0.00 55.97 54.15 3iwk s LYS 402 Cb -0.13 -1.70 -0.05 0.00 -0.52 0.00 0.00 37.83 35.43 3iwk s LYS 402 CO -0.10 0.07 -0.12 -0.08 -0.92 0.00 0.00 175.35 174.20 3iwk s THR 403 N -2.64 2.91 0.12 2.17 -1.32 -1.26 -1.94 115.64 113.68 3iwk s THR 403 Ca 0.34 -2.14 -0.06 0.00 -1.21 0.00 0.00 61.69 58.62 3iwk s THR 403 Cb 0.05 -2.53 -0.02 0.00 -1.51 0.00 0.00 72.50 68.49 3iwk s THR 403 CO 0.17 -0.35 0.16 0.72 -2.21 0.00 0.00 174.62 173.11 3iwk s PHE 404 N -2.33 0.44 -0.02 9.09 -0.12 -0.57 -4.86 117.98 119.61 3iwk s PHE 404 Ca 0.30 -0.86 -0.05 0.00 -0.05 0.00 0.00 56.93 56.27 3iwk s PHE 404 Cb -0.06 -0.20 -0.02 0.00 -0.63 0.00 0.00 43.02 42.11 3iwk s PHE 404 CO 0.17 -0.57 -0.10 0.45 -0.05 0.00 0.00 175.22 175.11 3iwk n SER 405 N -0.10 1.04 -4.94 1.98 2.88 -1.26 -0.59 113.62 112.64 3iwk n SER 405 Ca -0.10 0.16 -0.24 0.00 -1.33 0.00 0.00 58.87 57.36 3iwk n SER 405 Cb 0.63 -0.37 -0.03 0.00 -0.75 0.00 0.00 64.21 63.69 3iwk n SER 405 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 3iwk s THR 406 N -2.21 5.21 0.21 2.46 -4.23 -1.26 -4.90 115.64 110.93 3iwk s THR 406 Ca -0.09 -0.87 -0.08 0.00 -1.18 0.00 0.00 61.69 59.47 3iwk s THR 406 Cb 0.02 -3.75 0.16 0.00 1.34 0.00 0.00 72.50 70.27 3iwk s THR 406 CO 0.13 -0.20 1.80 -0.08 -0.54 0.00 0.00 174.62 175.72 3iwk h GLU 407 N 1.73 1.17 -0.81 3.99 4.81 -1.99 -1.65 114.58 121.81 3iwk h GLU 407 Ca -0.50 -0.19 0.09 0.00 -0.13 0.00 0.00 59.36 58.64 3iwk h GLU 407 Cb 1.21 -0.20 -0.06 0.00 0.63 0.00 0.00 28.75 30.33 3iwk h GLU 407 CO 0.65 0.92 0.53 1.49 -0.73 0.00 0.00 179.01 181.87 3iwk h GLU 408 N 1.15 0.76 -0.32 1.92 4.81 -1.99 -1.02 114.58 119.88 3iwk h GLU 408 Ca 0.27 -0.05 -0.16 0.00 -0.13 0.00 0.00 59.36 59.30 3iwk h GLU 408 Cb 0.15 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.36 3iwk h GLU 408 CO -0.03 0.50 -0.41 1.49 -0.73 0.00 0.00 179.01 179.83 3iwk h GLU 409 N 0.78 0.84 -0.17 1.92 4.81 -1.73 -1.83 114.58 119.21 3iwk h GLU 409 Ca 0.37 -0.48 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 3iwk h GLU 409 Cb 0.40 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 3iwk h GLU 409 CO -0.14 1.12 0.11 0.00 -0.73 0.00 0.00 179.01 179.36 3iwk h ALA 410 N 0.72 0.21 -0.01 2.92 0.00 -0.82 -1.83 119.26 120.45 3iwk h ALA 410 Ca 0.04 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.96 3iwk h ALA 410 Cb 1.00 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 3iwk h ALA 410 CO 0.10 -0.31 -0.10 0.82 0.00 0.00 0.00 179.25 179.75 3iwk h ILE 411 N 0.22 0.74 -0.37 0.00 2.04 -1.13 -0.49 117.51 118.52 3iwk h ILE 411 Ca 0.06 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.89 3iwk h ILE 411 Cb -0.02 0.74 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 3iwk h ILE 411 CO -0.02 0.00 0.09 0.78 0.00 0.00 0.00 178.15 179.00 3iwk h ASN 412 N -0.17 0.49 -0.28 1.72 2.35 -1.29 -1.66 115.58 116.74 3iwk h ASN 412 Ca 0.04 -0.07 -0.14 0.00 -0.55 0.00 0.00 56.30 55.59 3iwk h ASN 412 Cb 0.22 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 3iwk h ASN 412 CO -0.11 0.49 -0.34 -0.07 -1.65 0.00 0.00 177.43 175.75 3iwk h LEU 413 N 0.53 0.85 -0.60 1.61 3.38 -1.05 -2.85 115.31 117.17 3iwk h LEU 413 Ca 0.12 -0.36 -0.12 0.00 0.09 0.00 0.00 57.88 57.61 3iwk h LEU 413 Cb 0.20 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3iwk h LEU 413 CO -0.00 1.11 -0.18 0.00 0.09 0.00 0.00 178.44 179.45 3iwk h ALA 414 N 0.94 0.80 -0.36 1.53 0.00 -0.51 -2.92 119.26 118.72 3iwk h ALA 414 Ca 0.07 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3iwk h ALA 414 Cb 0.89 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3iwk h ALA 414 CO 0.08 0.66 0.00 0.09 0.00 0.00 0.00 179.25 180.08 3iwk n ASN 415 N -4.12 2.15 -3.83 0.00 3.02 -0.68 -4.64 115.26 107.16 3iwk n ASN 415 Ca 0.01 -1.94 -0.42 0.00 -0.03 0.00 0.00 54.58 52.20 3iwk n ASN 415 Cb 0.43 -0.24 0.00 0.00 -0.61 0.00 0.00 39.78 39.36 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 0.66 4.41 -3.57 6.41 2.03 -1.08 -4.80 116.55 120.61 3iwk n ASP 416 Ca 0.15 -2.95 -0.11 0.00 0.52 0.00 0.00 54.79 52.40 3iwk n ASP 416 Cb 0.36 -1.59 -0.05 0.00 -0.72 0.00 0.00 41.12 39.11 3iwk n ASP 416 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 3iwk s THR 417 N 2.13 0.00 -0.99 5.18 -1.32 -1.26 -4.98 115.64 114.40 3iwk s THR 417 Ca 0.44 0.00 0.27 0.00 -1.21 0.00 0.00 61.69 61.19 3iwk s THR 417 Cb 0.12 -1.00 0.12 0.00 -1.51 0.00 0.00 72.50 70.22 3iwk s THR 417 CO -0.04 0.00 1.66 1.41 -2.21 0.00 0.00 174.62 175.44 3iwk n HIS 418 N 0.67 0.02 -2.00 9.09 8.25 -1.26 -4.88 115.22 125.10 3iwk n HIS 418 Ca -0.10 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.08 3iwk n HIS 418 Cb 0.58 -0.38 0.12 0.00 1.12 0.00 0.00 29.99 31.43 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 2.44 -0.34 4.41 1.51 -1.26 -1.26 117.35 119.84 3iwk s TYR 419 Ca 0.12 0.50 0.04 0.00 -1.01 0.00 0.00 57.07 56.72 3iwk s TYR 419 Cb 0.18 -3.62 0.18 0.00 -0.11 0.00 0.00 41.96 38.60 3iwk s TYR 419 CO 0.62 -1.99 1.18 0.41 -1.11 0.00 0.00 175.55 174.66 3iwk n GLY 420 N -3.36 -0.42 0.00 0.71 0.00 -1.19 -4.74 105.19 96.18 3iwk n GLY 420 Ca 0.11 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.31 1.27 -4.89 0.99 7.94 -1.26 -0.94 117.00 119.80 3iwk n LEU 421 Ca -0.18 0.06 -0.25 0.00 -1.11 0.00 0.00 56.01 54.53 3iwk n LEU 421 Cb 0.71 -0.11 -0.01 0.00 0.53 0.00 0.00 43.42 44.54 3iwk n LEU 421 CO -0.10 -0.11 0.04 -0.83 -1.11 0.00 0.00 177.39 175.28 3iwk s GLY 422 N -1.31 2.30 -0.22 -3.96 0.00 -1.26 -1.44 107.32 101.42 3iwk s GLY 422 Ca 0.00 -1.49 -0.30 0.00 0.00 0.00 0.00 44.72 42.93 3iwk s GLY 422 CO 0.00 -1.88 1.20 -1.35 0.00 0.00 0.00 173.10 171.06 3iwk s SER 423 N -4.24 -0.18 0.01 1.64 1.04 -0.35 -4.10 113.70 107.52 3iwk s SER 423 Ca 0.38 0.17 0.01 0.00 0.48 0.00 0.00 55.95 57.00 3iwk s SER 423 Cb -0.02 0.15 -0.01 0.00 0.10 0.00 0.00 66.02 66.24 3iwk s SER 423 CO 0.23 -0.18 -0.05 0.00 0.98 0.00 0.00 173.24 174.22 3iwk s ALA 424 N -1.26 0.34 -0.10 5.32 0.00 -0.04 -0.37 121.76 125.65 3iwk s ALA 424 Ca 0.05 -0.37 0.03 0.00 0.00 0.00 0.00 51.96 51.67 3iwk s ALA 424 Cb -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.11 3iwk s ALA 424 CO -0.04 0.01 -0.21 0.08 0.00 0.00 0.00 175.76 175.60 3iwk s VAL 425 N -0.62 1.84 -0.24 0.00 1.01 -0.48 -0.48 120.40 121.43 3iwk s VAL 425 Ca -0.04 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.05 3iwk s VAL 425 Cb -0.05 -1.61 0.04 0.00 0.00 0.00 0.00 36.38 34.75 3iwk s VAL 425 CO -0.00 0.51 -0.10 -0.04 0.00 0.00 0.00 175.10 175.47 3iwk s MET 426 N 0.48 2.68 -0.28 2.72 -1.94 0.92 0.55 119.30 124.42 3iwk s MET 426 Ca -0.16 -1.06 -0.21 0.00 -1.71 0.00 0.00 55.69 52.55 3iwk s MET 426 Cb -0.17 -2.87 0.13 0.00 2.01 0.00 0.00 34.83 33.92 3iwk s MET 426 CO 0.06 -0.42 0.96 0.45 -0.01 0.00 0.00 175.02 176.07 3iwk s SER 427 N 1.25 -0.53 0.44 3.03 0.15 -1.26 -1.20 113.70 115.57 3iwk s SER 427 Ca -0.02 0.93 0.23 0.00 0.70 0.00 0.00 55.95 57.80 3iwk s SER 427 Cb -0.17 1.08 0.95 0.00 -1.71 0.00 0.00 66.02 66.17 3iwk s SER 427 CO -0.06 -0.15 1.85 0.78 1.20 0.00 0.00 173.24 176.85 3iwk h ASN 428 N 5.24 0.00 -2.29 5.45 2.35 -1.45 -3.40 115.58 121.49 3iwk h ASN 428 Ca -0.28 0.00 -0.54 0.00 -0.55 0.00 0.00 56.30 54.93 3iwk h ASN 428 Cb 1.19 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 39.48 3iwk h ASN 428 CO 0.15 0.24 1.10 -0.62 -1.65 0.00 0.00 177.43 176.64 3iwk s ASP 429 N -6.24 6.10 0.32 5.81 2.15 -1.26 -4.89 116.67 118.66 3iwk s ASP 429 Ca -0.00 -0.42 0.02 0.00 0.43 0.00 0.00 52.55 52.58 3iwk s ASP 429 Cb 0.11 -2.56 0.55 0.00 -0.30 0.00 0.00 42.92 40.72 3iwk s ASP 429 CO 0.64 -1.87 1.90 -0.07 -0.17 0.00 0.00 175.17 175.59 3iwk h LEU 430 N 13.29 0.64 -0.89 -1.34 3.38 -2.00 -2.09 115.31 126.30 3iwk h LEU 430 Ca -0.26 -0.09 0.03 0.00 0.09 0.00 0.00 57.88 57.65 3iwk h LEU 430 Cb 1.06 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.59 3iwk h LEU 430 CO 1.28 0.61 0.58 -0.33 0.09 0.00 0.00 178.44 180.67 3iwk h GLU 431 N 0.69 1.09 -0.63 1.13 3.07 -1.96 0.17 114.58 118.13 3iwk h GLU 431 Ca 0.16 -0.07 -0.08 0.00 -0.50 0.00 0.00 59.36 58.87 3iwk h GLU 431 Cb 0.20 -0.25 -0.02 0.00 -0.84 0.00 0.00 28.75 27.84 3iwk h GLU 431 CO -0.01 0.72 0.07 -0.09 -1.40 0.00 0.00 179.01 178.30 3iwk h ARG 432 N 1.12 1.06 -0.22 2.33 2.43 -1.83 -2.27 114.38 117.00 3iwk h ARG 432 Ca 0.35 -0.30 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 3iwk h ARG 432 Cb 0.00 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 3iwk h ARG 432 CO -0.12 1.00 0.14 0.00 -1.51 0.00 0.00 179.97 179.48 3iwk h GLU 434 N 0.29 0.43 -0.79 0.00 4.81 -0.90 0.55 114.58 118.97 3iwk h GLU 434 Ca 0.08 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.24 3iwk h GLU 434 Cb -0.03 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.22 3iwk h GLU 434 CO -0.02 0.29 0.33 -0.09 -0.73 0.00 0.00 179.01 178.79 3iwk h ARG 435 N 0.44 1.18 -0.16 1.92 2.43 -1.08 -2.34 114.38 116.77 3iwk h ARG 435 Ca 0.29 -0.20 -0.18 0.00 -0.81 0.00 0.00 59.98 59.08 3iwk h ARG 435 Cb 0.33 -0.20 -0.00 0.00 -0.42 0.00 0.00 29.97 29.68 3iwk h ARG 435 CO -0.27 0.94 -0.63 -0.07 -1.51 0.00 0.00 179.97 178.42 3iwk h LEU 436 N 1.15 0.68 -1.78 3.80 4.07 -0.89 -2.73 115.31 119.62 3iwk h LEU 436 Ca 0.27 -0.40 0.03 0.00 0.08 0.00 0.00 57.88 57.86 3iwk h LEU 436 Cb 0.19 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 41.72 3iwk h LEU 436 CO -0.02 1.14 0.21 0.77 -1.08 0.00 0.00 178.44 179.46 3iwk h SER 437 N 0.44 0.25 0.24 -0.43 4.64 -0.54 0.14 113.55 118.29 3iwk h SER 437 Ca -0.01 -0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.10 3iwk h SER 437 Cb 1.21 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 63.24 3iwk h SER 437 CO 0.12 0.17 -0.81 0.11 -0.87 0.00 0.00 176.83 175.56 3iwk h LYS 438 N 0.29 0.45 0.00 4.77 1.57 -1.32 -3.35 116.57 118.98 3iwk h LYS 438 Ca 0.13 -0.40 -0.16 0.00 -1.87 0.00 0.00 60.65 58.35 3iwk h LYS 438 Cb 0.16 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 3iwk h LYS 438 CO -0.03 1.05 -0.96 0.00 -0.57 0.00 0.00 179.45 178.94 3iwk h ALA 439 N 0.83 0.61 -2.49 3.86 0.00 -0.92 -3.46 119.26 117.70 3iwk h ALA 439 Ca -0.05 -0.74 -0.53 0.00 0.00 0.00 0.00 54.91 53.59 3iwk h ALA 439 Cb 1.41 0.06 0.01 0.00 0.00 0.00 0.00 17.79 19.27 3iwk h ALA 439 CO 0.14 0.90 0.74 -0.51 0.00 0.00 0.00 179.25 180.53 3iwk s LEU 440 N -6.27 4.35 -1.16 0.00 1.43 -0.08 -4.94 118.68 112.01 3iwk s LEU 440 Ca 0.01 2.23 -0.14 0.00 -1.03 0.00 0.00 54.13 55.20 3iwk s LEU 440 Cb 0.08 -3.58 0.18 0.00 0.03 0.00 0.00 46.19 42.91 3iwk s LEU 440 CO 0.79 -0.65 1.35 -1.10 0.23 0.00 0.00 176.35 176.97 3iwk s GLN 441 N 1.50 4.05 0.15 1.70 -0.21 -1.26 -4.93 119.66 120.66 3iwk s GLN 441 Ca 0.64 -2.57 -0.13 0.00 0.02 0.00 0.00 55.36 53.31 3iwk s GLN 441 Cb -0.34 -4.98 0.02 0.00 1.00 0.00 0.00 33.01 28.70 3iwk s GLN 441 CO 0.29 -1.70 0.38 0.00 -2.12 0.00 0.00 175.29 172.14 3iwk s ALA 442 N 1.33 -0.58 -0.18 6.09 0.00 -1.26 -4.51 121.76 122.65 3iwk s ALA 442 Ca 0.40 -0.41 0.16 0.00 0.00 0.00 0.00 51.96 52.10 3iwk s ALA 442 Cb -0.04 0.76 0.08 0.00 0.00 0.00 0.00 23.12 23.92 3iwk s ALA 442 CO -0.02 -0.67 1.43 0.78 0.00 0.00 0.00 175.76 177.28 3iwk h GLY 443 N 2.42 0.00 -6.42 0.00 0.00 -0.87 -3.45 103.07 94.75 3iwk h GLY 443 Ca -0.32 0.00 -0.45 0.00 0.00 0.00 0.00 47.33 46.56 3iwk h GLY 443 CO 0.46 0.00 -0.78 -0.42 0.00 0.00 0.00 176.54 175.79 3iwk s ILE 444 N -2.98 0.68 -0.19 2.60 1.01 -0.52 -4.78 121.20 117.01 3iwk s ILE 444 Ca 0.04 -0.15 0.00 0.00 0.00 0.00 0.00 60.65 60.54 3iwk s ILE 444 Cb 0.07 -0.71 0.02 0.00 0.01 0.00 0.00 42.46 41.85 3iwk s ILE 444 CO 0.74 0.28 -0.18 -0.69 0.00 0.00 0.00 174.94 175.09 3iwk s VAL 445 N 1.25 2.26 -0.08 2.92 1.01 -1.26 -1.22 120.40 125.27 3iwk s VAL 445 Ca -0.05 -0.87 -0.15 0.00 0.00 0.00 0.00 61.98 60.90 3iwk s VAL 445 Cb -0.14 -1.96 -0.05 0.00 0.00 0.00 0.00 36.38 34.23 3iwk s VAL 445 CO -0.02 0.52 0.38 0.26 0.00 0.00 0.00 175.10 176.24 3iwk s TRP 446 N 1.32 3.59 -0.14 5.22 0.51 0.50 -4.99 118.94 124.94 3iwk s TRP 446 Ca 0.05 0.83 0.00 0.00 -2.12 0.00 0.00 56.10 54.86 3iwk s TRP 446 Cb -0.13 -2.36 -0.01 0.00 -0.81 0.00 0.00 33.47 30.16 3iwk s TRP 446 CO -0.11 0.40 -0.14 0.96 -0.51 0.00 0.00 176.95 177.55 3iwk s ILE 447 N -0.16 2.88 -1.96 2.03 -5.25 -1.26 -1.38 121.20 116.10 3iwk s ILE 447 Ca 0.22 -0.71 0.00 0.00 -0.99 0.00 0.00 60.65 59.16 3iwk s ILE 447 Cb -0.15 -2.21 0.00 0.00 2.95 0.00 0.00 42.46 43.05 3iwk s ILE 447 CO 0.09 0.52 0.00 0.59 -1.79 0.00 0.00 174.94 174.35 3iwk n ASN 448 N 3.72 -5.71 -2.57 4.36 3.02 0.19 -4.94 115.26 113.33 3iwk n ASN 448 Ca -0.18 0.21 -0.06 0.00 -0.03 0.00 0.00 54.58 54.51 3iwk n ASN 448 Cb 0.52 -4.87 0.02 0.00 -0.61 0.00 0.00 39.78 34.84 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 -1.88 -1.65 0.00 0.00 0.00 -1.26 -4.68 121.76 112.28 3iwk s ALA 450 Ca 0.14 2.15 0.00 0.00 0.00 0.00 0.00 51.96 54.25 3iwk s ALA 450 Cb -0.04 -1.34 0.00 0.00 0.00 0.00 0.00 23.12 21.74 3iwk s ALA 450 CO 0.09 -0.43 0.00 1.04 0.00 0.00 0.00 175.76 176.45 3iwk n GLN 451 N 4.49 0.00 -1.82 0.00 1.13 -1.26 -4.51 117.38 115.40 3iwk n GLN 451 Ca -0.19 0.00 -0.42 0.00 -1.94 0.00 0.00 57.00 54.45 3iwk n GLN 451 Cb 0.56 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.89 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 -0.65 4.16 -0.69 -1.09 0.02 -1.26 -4.97 135.00 130.52 3iwk s PRO 452 Ca 0.00 2.50 -0.03 0.00 0.02 0.00 0.00 61.00 63.50 3iwk s PRO 452 Cb 0.00 -3.09 0.18 0.00 0.02 0.00 0.00 34.50 31.60 3iwk s PRO 452 CO 0.00 -0.66 0.52 -1.12 -0.33 0.00 0.00 177.00 175.41 3iwk s SER 453 N 0.97 5.40 0.14 2.53 0.01 -1.26 -5.09 113.70 116.39 3iwk s SER 453 Ca 0.70 -3.06 -0.30 0.00 1.31 0.00 0.00 55.95 54.60 3iwk s SER 453 Cb -0.47 -1.87 -0.07 0.00 0.21 0.00 0.00 66.02 63.83 3iwk s SER 453 CO 0.36 -0.33 0.96 -0.36 0.41 0.00 0.00 173.24 174.28 3iwk s PHE 454 N -0.37 3.84 0.27 2.43 0.40 -1.26 -4.95 117.98 118.35 3iwk s PHE 454 Ca 0.19 1.82 0.35 0.00 -0.60 0.00 0.00 56.93 58.70 3iwk s PHE 454 Cb -0.17 -3.05 1.61 0.00 0.51 0.00 0.00 43.02 41.92 3iwk s PHE 454 CO -0.05 0.23 2.08 -0.84 0.70 0.00 0.00 175.22 177.34 3iwk h ILE 455 N 3.81 0.09 0.00 0.64 -2.65 -1.98 -2.36 117.51 115.06 3iwk h ILE 455 Ca -0.43 -0.43 0.00 0.00 1.03 0.00 0.00 64.86 65.03 3iwk h ILE 455 Cb 1.21 1.39 0.00 0.00 -2.05 0.00 0.00 36.82 37.37 3iwk h ILE 455 CO 0.71 0.02 0.00 1.56 0.03 0.00 0.00 178.15 180.47 3iwk h GLN 456 N 0.00 0.00 -5.77 0.16 7.50 -1.93 1.10 115.11 116.17 3iwk h GLN 456 Ca -0.00 0.00 -0.67 0.00 0.50 0.00 0.00 58.65 58.48 3iwk h GLN 456 Cb 0.39 0.00 -0.20 0.00 0.05 0.00 0.00 27.48 27.71 3iwk h GLN 456 CO 0.00 0.00 -0.68 0.00 -1.50 0.00 0.00 178.83 176.65 3iwk s ALA 457 N -3.58 2.99 0.33 3.87 0.00 -0.89 -4.12 121.76 120.36 3iwk s ALA 457 Ca 0.02 -0.86 -0.29 0.00 0.00 0.00 0.00 51.96 50.84 3iwk s ALA 457 Cb 0.08 -1.36 -0.12 0.00 0.00 0.00 0.00 23.12 21.72 3iwk s ALA 457 CO 0.56 0.42 1.49 -0.35 0.00 0.00 0.00 175.76 177.88 3iwk n PRO 458 N 2.78 2.56 -4.35 0.00 -0.04 -1.26 -4.08 135.00 130.61 3iwk n PRO 458 Ca -0.18 0.90 -0.25 0.00 -0.04 0.00 0.00 63.50 63.94 3iwk n PRO 458 Cb 0.53 -2.62 -0.17 0.00 -0.04 0.00 0.00 33.50 31.20 3iwk n PRO 458 CO 0.00 0.00 0.00 -0.46 -0.04 0.00 0.00 175.50 175.00 3iwk s TRP 459 N -0.67 1.41 0.00 0.54 -0.11 0.16 -4.96 118.94 115.31 3iwk s TRP 459 Ca 0.58 -0.57 0.00 0.00 1.22 0.00 0.00 56.10 57.33 3iwk s TRP 459 Cb -0.51 -1.08 0.00 0.00 -1.50 0.00 0.00 33.47 30.38 3iwk s TRP 459 CO 0.58 -0.34 0.00 0.41 -4.62 0.00 0.00 176.95 172.97 3iwk n GLY 460 N 4.17 1.35 3.93 5.86 0.00 -1.26 -0.51 105.19 118.72 3iwk n GLY 460 Ca -0.20 -0.93 -0.20 0.00 0.00 0.00 0.00 46.02 44.69 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 2.07 0.48 -0.02 0.00 -1.26 -3.86 107.32 104.73 3iwk s GLY 461 Ca 0.00 -1.80 0.03 0.00 0.00 0.00 0.00 44.72 42.94 3iwk s GLY 461 CO 0.00 -1.66 0.01 -0.26 0.00 0.00 0.00 173.10 171.20 3iwk s ILE 462 N -2.47 1.30 0.00 0.90 -4.36 -0.12 -3.99 121.20 112.46 3iwk s ILE 462 Ca 0.50 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.89 3iwk s ILE 462 Cb -0.05 -2.36 0.00 0.00 1.25 0.00 0.00 42.46 41.29 3iwk s ILE 462 CO 0.30 0.00 0.00 0.29 0.24 0.00 0.00 174.94 175.77 3iwk n LYS 463 N -1.17 0.00 0.00 0.37 5.02 -1.26 -2.17 118.16 118.95 3iwk n LYS 463 Ca -0.15 0.00 0.09 0.00 -2.02 0.00 0.00 58.31 56.23 3iwk n LYS 463 Cb 0.67 0.00 0.50 0.00 -0.02 0.00 0.00 35.03 36.18 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 11.51 0.45 0.05 1.97 5.12 -0.39 -1.89 116.66 133.49 3iwk n ARG 464 Ca 0.00 0.04 0.12 0.00 -1.93 0.00 0.00 57.85 56.08 3iwk n ARG 464 Cb 0.00 -1.50 0.47 0.00 -1.16 0.00 0.00 32.46 30.27 3iwk n ARG 464 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 3iwk n SER 465 N -1.10 0.34 0.00 0.55 7.64 -0.92 -4.67 113.62 115.46 3iwk n SER 465 Ca 0.12 0.55 0.00 0.00 1.01 0.00 0.00 58.87 60.55 3iwk n SER 465 Cb 0.09 -0.64 0.00 0.00 -1.01 0.00 0.00 64.21 62.65 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 0.79 0.23 3.59 0.23 0.00 -0.79 -0.36 105.19 108.87 3iwk n GLY 466 Ca 0.05 -2.10 -0.08 0.00 0.00 0.00 0.00 46.02 43.89 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 -0.31 0.00 1.61 -0.71 -0.57 -3.92 117.98 114.07 3iwk s PHE 467 Ca 0.00 0.09 0.00 0.00 -1.04 0.00 0.00 56.93 55.98 3iwk s PHE 467 Cb 0.00 0.59 0.00 0.00 -1.21 0.00 0.00 43.02 42.40 3iwk s PHE 467 CO 0.00 -0.75 0.00 0.41 -1.34 0.00 0.00 175.22 173.54 3iwk n GLY 468 N -0.35 0.90 3.05 1.99 0.00 -1.26 -0.97 105.19 108.54 3iwk n GLY 468 Ca -0.09 -1.68 -0.25 0.00 0.00 0.00 0.00 46.02 43.99 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 -3.61 1.74 0.49 1.61 1.81 -1.26 -4.42 118.95 115.32 3iwk s ARG 469 Ca 0.00 -0.46 0.07 0.00 -1.72 0.00 0.00 55.73 53.62 3iwk s ARG 469 Cb 0.00 -1.45 0.02 0.00 -0.45 0.00 0.00 34.95 33.08 3iwk s ARG 469 CO 0.00 0.07 0.48 -1.21 -0.68 0.00 0.00 175.30 173.96 3iwk s GLU 470 N 0.53 2.40 0.35 3.54 2.02 0.33 -3.61 118.70 124.27 3iwk s GLU 470 Ca -0.13 -1.72 0.00 0.00 0.02 0.00 0.00 54.97 53.14 3iwk s GLU 470 Cb -0.15 -2.35 0.00 0.00 0.10 0.00 0.00 34.13 31.73 3iwk s GLU 470 CO 0.04 -0.48 0.00 1.28 0.02 0.00 0.00 175.26 176.11 3iwk n LEU 471 N -1.78 -0.61 0.00 1.80 4.77 -1.26 0.37 117.00 120.29 3iwk n LEU 471 Ca 0.04 1.40 0.00 0.00 -0.03 0.00 0.00 56.01 57.42 3iwk n LEU 471 Cb 0.62 -2.47 0.00 0.00 -2.33 0.00 0.00 43.42 39.24 3iwk n LEU 471 CO 0.41 -1.65 0.00 0.61 -1.33 0.00 0.00 177.39 175.43 3iwk n GLY 472 N -3.57 0.94 0.19 -0.72 0.00 0.38 -0.42 105.19 101.99 3iwk n GLY 472 Ca -0.04 -0.67 0.08 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.99 1.61 5.08 -1.86 -3.09 114.58 115.33 3iwk h GLU 473 Ca 0.00 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 3iwk h GLU 473 Cb 0.00 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.20 3iwk h GLU 473 CO 0.00 0.28 0.65 -1.49 -1.00 0.00 0.00 179.01 177.45 3iwk h TRP 474 N 0.00 1.23 -0.85 4.33 6.55 -1.86 -0.69 115.95 124.66 3iwk h TRP 474 Ca -0.00 0.03 0.07 0.00 0.95 0.00 0.00 58.89 59.94 3iwk h TRP 474 Cb 1.03 -0.41 -0.06 0.00 -0.86 0.00 0.00 29.16 28.85 3iwk h TRP 474 CO 0.00 0.74 0.51 0.78 -1.05 0.00 0.00 178.44 179.43 3iwk h GLY 475 N 1.30 1.29 0.91 1.49 0.00 -0.65 -0.99 103.07 106.42 3iwk h GLY 475 Ca 0.38 -0.36 -0.06 0.00 0.00 0.00 0.00 47.33 47.29 3iwk h GLY 475 CO -0.10 0.22 -0.00 -2.00 0.00 0.00 0.00 176.54 174.66 3iwk h LEU 476 N 0.92 0.60 -1.84 3.11 6.46 -1.43 -3.07 115.31 120.05 3iwk h LEU 476 Ca 0.38 -0.31 -0.03 0.00 -0.12 0.00 0.00 57.88 57.80 3iwk h LEU 476 Cb 0.23 -0.16 -0.00 0.00 -0.73 0.00 0.00 40.66 39.99 3iwk h LEU 476 CO -0.19 0.76 -0.14 -0.08 -0.62 0.00 0.00 178.44 178.17 3iwk h GLU 477 N 0.42 0.00 -0.01 1.25 4.57 -0.76 -2.03 114.58 118.03 3iwk h GLU 477 Ca 0.10 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.28 3iwk h GLU 477 Cb 0.46 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.05 3iwk h GLU 477 CO 0.02 0.14 0.01 -0.97 -1.18 0.00 0.00 179.01 177.03 3iwk h ASN 478 N 0.00 0.00 -0.32 1.04 -1.24 -1.09 -2.55 115.58 111.43 3iwk h ASN 478 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 3iwk h ASN 478 Cb 0.32 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.37 3iwk h ASN 478 CO 0.02 0.00 0.00 -1.22 -1.29 0.00 0.00 177.43 174.94 3iwk n TYR 479 N -3.89 0.48 -4.30 0.67 4.02 -0.77 -4.98 117.16 108.39 3iwk n TYR 479 Ca -0.03 -0.54 -0.28 0.00 -0.01 0.00 0.00 57.90 57.04 3iwk n TYR 479 Cb 0.09 -0.06 -0.10 0.00 -0.02 0.00 0.00 39.34 39.25 3iwk n TYR 479 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3iwk s LEU 480 N -1.18 2.82 0.07 7.72 1.43 -0.96 -1.31 118.68 127.27 3iwk s LEU 480 Ca 0.24 -0.58 0.10 0.00 -1.03 0.00 0.00 54.13 52.85 3iwk s LEU 480 Cb 0.13 -1.58 -0.03 0.00 0.03 0.00 0.00 46.19 44.74 3iwk s LEU 480 CO 0.14 0.14 -0.26 -0.94 0.23 0.00 0.00 176.35 175.66 3iwk s SER 481 N -2.51 3.22 -0.12 2.29 1.04 0.66 -4.76 113.70 113.52 3iwk s SER 481 Ca 0.22 -0.63 -0.21 0.00 0.48 0.00 0.00 55.95 55.80 3iwk s SER 481 Cb -0.10 -0.28 -0.03 0.00 0.10 0.00 0.00 66.02 65.71 3iwk s SER 481 CO 0.13 0.24 0.62 -0.69 0.98 0.00 0.00 173.24 174.52 3iwk s VAL 482 N -0.87 5.07 -0.20 5.02 1.01 -1.26 -1.64 120.40 127.52 3iwk s VAL 482 Ca 0.12 1.24 -0.02 0.00 0.00 0.00 0.00 61.98 63.32 3iwk s VAL 482 Cb -0.10 -3.95 -0.00 0.00 0.00 0.00 0.00 36.38 32.33 3iwk s VAL 482 CO 0.03 0.22 -0.09 -0.75 0.00 0.00 0.00 175.10 174.51 3iwk s LYS 483 N 1.15 3.27 -0.12 2.72 2.20 -0.12 -4.98 119.74 123.86 3iwk s LYS 483 Ca 0.32 -0.69 -0.24 0.00 -0.36 0.00 0.00 55.97 55.00 3iwk s LYS 483 Cb -0.16 -2.87 -0.03 0.00 -1.51 0.00 0.00 37.83 33.27 3iwk s LYS 483 CO 0.13 -0.18 0.77 -1.14 -0.36 0.00 0.00 175.35 174.57 3iwk s GLN 484 N 1.38 4.36 -0.28 4.03 0.74 -1.26 -0.51 119.66 128.10 3iwk s GLN 484 Ca 0.05 0.94 -0.01 0.00 0.05 0.00 0.00 55.36 56.39 3iwk s GLN 484 Cb -0.14 -3.52 0.05 0.00 1.10 0.00 0.00 33.01 30.50 3iwk s GLN 484 CO -0.06 -0.15 -0.03 0.08 -0.55 0.00 0.00 175.29 174.58 3iwk s VAL 485 N 1.54 2.88 -0.08 1.34 1.01 0.66 -4.99 120.40 122.76 3iwk s VAL 485 Ca 0.38 -1.33 0.04 0.00 0.00 0.00 0.00 61.98 61.07 3iwk s VAL 485 Cb -0.17 -2.62 -0.00 0.00 0.00 0.00 0.00 36.38 33.59 3iwk s VAL 485 CO 0.15 -0.03 -0.22 -0.89 0.00 0.00 0.00 175.10 174.11 3iwk s THR 486 N 1.25 1.89 -0.06 3.92 2.01 -1.26 -1.37 115.64 122.02 3iwk s THR 486 Ca -0.04 -0.94 0.03 0.00 0.31 0.00 0.00 61.69 61.05 3iwk s THR 486 Cb -0.19 -1.63 0.01 0.00 0.01 0.00 0.00 72.50 70.70 3iwk s THR 486 CO -0.02 0.52 -0.14 -0.60 -0.69 0.00 0.00 174.62 173.70 3iwk s ARG 487 N 0.22 1.70 -0.41 4.92 3.52 0.52 -4.99 118.95 124.43 3iwk s ARG 487 Ca -0.13 -0.47 -0.29 0.00 -0.13 0.00 0.00 55.73 54.71 3iwk s ARG 487 Cb -0.16 -1.42 0.02 0.00 -1.56 0.00 0.00 34.95 31.83 3iwk s ARG 487 CO 0.06 0.10 1.10 -0.47 -0.81 0.00 0.00 175.30 175.28 3iwk s TYR 488 N 0.45 2.96 -0.76 5.12 5.04 -1.26 -0.90 117.35 127.99 3iwk s TYR 488 Ca -0.11 0.91 0.22 0.00 -2.44 0.00 0.00 57.07 55.65 3iwk s TYR 488 Cb -0.14 -4.11 -0.03 0.00 0.35 0.00 0.00 41.96 38.03 3iwk s TYR 488 CO 0.03 -1.05 0.98 0.25 -1.34 0.00 0.00 175.55 174.42 3iwk n THR 489 N 6.42 0.06 -2.30 4.34 -2.24 0.45 -4.97 114.28 116.04 3iwk n THR 489 Ca 0.12 -0.14 -0.35 0.00 -2.27 0.00 0.00 64.05 61.41 3iwk n THR 489 Cb 0.48 0.50 -0.00 0.00 -2.10 0.00 0.00 70.33 69.21 3iwk n THR 489 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3iwk s SER 490 N -3.48 5.83 0.27 3.42 0.15 -1.17 -4.95 113.70 113.77 3iwk s SER 490 Ca 0.05 2.14 0.21 0.00 0.70 0.00 0.00 55.95 59.06 3iwk s SER 490 Cb 0.15 -2.58 0.10 0.00 -1.71 0.00 0.00 66.02 61.99 3iwk s SER 490 CO 0.82 -1.14 1.24 0.44 1.20 0.00 0.00 173.24 175.80 3iwk h ASP 491 N 1.27 0.00 -4.14 5.45 3.45 -1.95 -3.48 116.42 117.02 3iwk h ASP 491 Ca -0.50 0.00 -0.52 0.00 0.43 0.00 0.00 57.03 56.44 3iwk h ASP 491 Cb 1.26 0.00 0.11 0.00 -0.56 0.00 0.00 39.33 40.14 3iwk h ASP 491 CO 0.57 0.11 0.42 -0.70 -1.57 0.00 0.00 179.24 178.07 3iwk s GLU 492 N -3.23 2.79 0.54 3.56 2.56 -1.26 -5.01 118.70 118.64 3iwk s GLU 492 Ca 0.02 1.65 -0.19 0.00 0.00 0.00 0.00 54.97 56.45 3iwk s GLU 492 Cb 0.08 -1.93 -0.06 0.00 2.00 0.00 0.00 34.13 34.22 3iwk s GLU 492 CO 0.75 -1.31 1.11 -2.14 -0.56 0.00 0.00 175.26 173.11 3iwk s PRO 493 N -3.67 3.41 0.24 4.30 0.02 -1.26 -4.95 135.00 133.08 3iwk s PRO 493 Ca 0.73 1.55 -0.06 0.00 0.02 0.00 0.00 61.00 63.24 3iwk s PRO 493 Cb -0.26 -2.02 0.33 0.00 0.02 0.00 0.00 34.50 32.56 3iwk s PRO 493 CO 0.37 -0.79 1.86 2.35 -0.33 0.00 0.00 177.00 180.46 3iwk h TRP 494 N 1.20 0.99 -0.33 6.54 -0.00 -1.99 -3.46 115.95 118.90 3iwk h TRP 494 Ca -0.50 0.03 -0.10 0.00 -0.00 0.00 0.00 58.89 58.32 3iwk h TRP 494 Cb 1.25 -0.32 -0.03 0.00 -0.00 0.00 0.00 29.16 30.06 3iwk h TRP 494 CO 0.52 0.51 -0.10 0.41 -0.00 0.00 0.00 178.44 179.79 3iwk n GLY 495 N -1.33 0.63 0.06 2.65 0.00 -1.26 -4.94 105.19 101.01 3iwk n GLY 495 Ca 0.12 -0.81 -0.08 0.00 0.00 0.00 0.00 46.02 45.25 3iwk n GLY 495 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 3iwk h TRP 496 N 0.00 0.00 -3.38 1.61 2.91 -2.04 -3.48 115.95 111.57 3iwk h TRP 496 Ca -0.10 0.00 -0.51 0.00 1.13 0.00 0.00 58.89 59.41 3iwk h TRP 496 Cb 0.48 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 29.13 3iwk h TRP 496 CO 0.14 0.56 -0.04 0.71 -1.03 0.00 0.00 178.44 178.78 3iwk s TYR 497 N -1.96 3.48 -0.02 2.65 2.02 -1.26 -5.05 117.35 117.20 3iwk s TYR 497 Ca -0.12 0.78 -0.30 0.00 -0.37 0.00 0.00 57.07 57.06 3iwk s TYR 497 Cb -0.01 -2.23 -0.05 0.00 -0.40 0.00 0.00 41.96 39.28 3iwk s TYR 497 CO 0.37 0.04 1.37 -0.65 -1.57 0.00 0.00 175.55 175.11 3iwk s GLN 498 N -3.78 4.29 0.33 -0.62 -1.52 -1.26 -5.01 119.66 112.08 3iwk s GLN 498 Ca 0.46 1.91 -0.29 0.00 -1.95 0.00 0.00 55.36 55.50 3iwk s GLN 498 Cb -0.10 -3.60 -0.10 0.00 -0.22 0.00 0.00 33.01 28.98 3iwk s GLN 498 CO 0.32 -0.58 1.34 -2.14 -0.25 0.00 0.00 175.29 173.98 3iwk s PRO 499 N 2.50 4.32 0.17 2.91 0.02 -1.26 -4.96 135.00 138.71 3iwk s PRO 499 Ca 0.62 2.26 -0.32 0.00 0.02 0.00 0.00 61.00 63.59 3iwk s PRO 499 Cb -0.30 -3.07 -0.11 0.00 0.02 0.00 0.00 34.50 31.04 3iwk s PRO 499 CO 0.25 -0.25 1.76 -1.25 -0.33 0.00 0.00 177.00 177.18 3iwk s PRO 500 N -1.66 4.13 0.00 5.54 0.04 -1.26 -5.29 135.00 136.50 3iwk s PRO 500 Ca 0.50 2.59 0.06 0.00 0.04 0.00 0.00 61.00 64.19 3iwk s PRO 500 Cb -0.41 -3.29 0.36 0.00 0.04 0.00 0.00 34.50 31.21 3iwk s PRO 500 CO 0.53 -0.78 0.83 -1.13 0.04 0.00 0.00 177.00 176.49