#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iwk n ARG 8 N 0.00 -1.33 -1.32 4.33 1.85 -1.26 -4.82 116.66 114.10 3iwk n ARG 8 Ca 0.00 0.95 0.00 0.00 -1.00 0.00 0.00 57.85 57.80 3iwk n ARG 8 Cb 0.00 -1.78 0.00 0.00 -1.05 0.00 0.00 32.46 29.63 3iwk n ARG 8 CO 0.00 0.00 0.00 0.94 -0.01 0.00 0.00 177.63 178.56 3iwk n GLN 9 N -2.67 2.58 -2.52 2.89 -0.06 -1.26 -4.58 117.38 111.76 3iwk n GLN 9 Ca -0.01 0.00 -0.35 0.00 -2.00 0.00 0.00 57.00 54.64 3iwk n GLN 9 Cb 0.58 0.00 -0.03 0.00 -4.06 0.00 0.00 30.24 26.72 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 3.97 -0.47 1.69 1.43 -1.07 -4.89 118.68 119.34 3iwk s LEU 10 Ca 0.00 2.00 -0.09 0.00 -1.03 0.00 0.00 54.13 55.01 3iwk s LEU 10 Cb 0.00 -4.40 0.12 0.00 0.03 0.00 0.00 46.19 41.94 3iwk s LEU 10 CO 0.00 -0.69 0.34 0.12 0.23 0.00 0.00 176.35 176.35 3iwk s PHE 11 N -1.82 3.42 -0.07 0.29 5.36 -0.48 -1.44 117.98 123.24 3iwk s PHE 11 Ca 0.64 -1.85 0.02 0.00 -0.96 0.00 0.00 56.93 54.77 3iwk s PHE 11 Cb -0.19 -3.45 0.02 0.00 -0.34 0.00 0.00 43.02 39.05 3iwk s PHE 11 CO 0.24 -0.98 -0.11 0.42 -1.46 0.00 0.00 175.22 173.33 3iwk s ILE 12 N 1.37 1.07 -1.44 3.12 1.01 -0.45 0.06 121.20 125.92 3iwk s ILE 12 Ca 0.05 -0.41 -0.11 0.00 0.00 0.00 0.00 60.65 60.18 3iwk s ILE 12 Cb -0.26 -1.00 0.05 0.00 0.01 0.00 0.00 42.46 41.25 3iwk s ILE 12 CO -0.01 0.35 1.10 -0.67 0.00 0.00 0.00 174.94 175.71 3iwk n ASP 13 N 4.05 -5.67 0.00 3.58 2.03 -1.26 -2.29 116.55 116.99 3iwk n ASP 13 Ca -0.21 -0.65 0.00 0.00 0.52 0.00 0.00 54.79 54.45 3iwk n ASP 13 Cb 0.51 -4.49 0.00 0.00 -0.72 0.00 0.00 41.12 36.42 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 -1.87 0.76 3.26 0.27 0.00 -1.26 -4.45 105.19 101.89 3iwk n GLY 14 Ca 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 3iwk n GLY 14 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3iwk s GLU 15 N -0.16 0.97 -0.20 1.61 -1.05 -0.97 -4.91 118.70 113.99 3iwk s GLU 15 Ca 0.00 -1.05 -0.29 0.00 -0.15 0.00 0.00 54.97 53.47 3iwk s GLU 15 Cb 0.00 0.35 -0.01 0.00 -0.44 0.00 0.00 34.13 34.04 3iwk s GLU 15 CO 0.00 -0.33 1.22 -1.58 0.95 0.00 0.00 175.26 175.52 3iwk s TRP 16 N -3.91 2.93 -0.11 4.83 0.52 -1.26 -1.35 118.94 120.60 3iwk s TRP 16 Ca 0.10 1.08 0.02 0.00 0.02 0.00 0.00 56.10 57.33 3iwk s TRP 16 Cb 0.04 -3.51 0.01 0.00 -1.15 0.00 0.00 33.47 28.86 3iwk s TRP 16 CO -0.06 -1.44 -0.18 1.03 0.02 0.00 0.00 176.95 176.31 3iwk s ARG 17 N 3.53 2.52 0.20 4.98 0.52 -0.52 -4.96 118.95 125.22 3iwk s ARG 17 Ca 0.53 -0.68 -0.30 0.00 -0.52 0.00 0.00 55.73 54.75 3iwk s ARG 17 Cb -0.19 -2.05 -0.09 0.00 0.52 0.00 0.00 34.95 33.13 3iwk s ARG 17 CO 0.14 0.00 1.43 0.08 0.02 0.00 0.00 175.30 176.97 3iwk s VAL 18 N 0.80 2.87 0.28 3.52 1.01 -1.26 -2.59 120.40 125.02 3iwk s VAL 18 Ca -0.10 0.69 -0.30 0.00 0.00 0.00 0.00 61.98 62.27 3iwk s VAL 18 Cb -0.16 -3.44 -0.13 0.00 0.00 0.00 0.00 36.38 32.65 3iwk s VAL 18 CO 0.01 0.09 1.24 -2.65 0.00 0.00 0.00 175.10 173.78 3iwk n PRO 19 N 2.95 1.79 0.16 2.72 -0.02 -1.26 -4.90 135.00 136.43 3iwk n PRO 19 Ca 0.09 0.63 -0.16 0.00 -2.02 0.00 0.00 63.50 62.04 3iwk n PRO 19 Cb 0.41 -2.17 -0.09 0.00 -0.02 0.00 0.00 33.50 31.63 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 2.57 0.08 0.00 4.25 5.03 -1.92 -1.04 117.51 126.48 3iwk h ILE 20 Ca -0.44 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.30 3iwk h ILE 20 Cb 1.30 0.08 0.00 0.00 -3.03 0.00 0.00 36.82 35.17 3iwk h ILE 20 CO 0.67 0.00 0.00 0.18 -0.68 0.00 0.00 178.15 178.32 3iwk n LEU 21 N -5.50 0.00 -2.01 1.44 4.77 -1.26 -4.88 117.00 109.56 3iwk n LEU 21 Ca -0.09 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.70 3iwk n LEU 21 Cb 0.41 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.46 3iwk n LEU 21 CO 0.20 0.00 -0.22 -3.20 -1.33 0.00 0.00 177.39 172.84 3iwk n ASN 22 N -0.97 -5.40 -4.87 -1.43 5.15 -0.39 -4.98 115.26 102.37 3iwk n ASN 22 Ca 0.17 0.24 -0.30 0.00 -0.60 0.00 0.00 54.58 54.08 3iwk n ASN 22 Cb 0.08 -4.64 -0.01 0.00 -0.53 0.00 0.00 39.78 34.68 3iwk n ASN 22 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3iwk s LYS 23 N -4.39 3.72 0.03 1.20 1.02 -1.26 -5.01 119.74 115.05 3iwk s LYS 23 Ca 0.00 0.64 0.01 0.00 0.02 0.00 0.00 55.97 56.64 3iwk s LYS 23 Cb 0.00 -2.22 -0.02 0.00 -0.52 0.00 0.00 37.83 35.07 3iwk s LYS 23 CO 0.00 -0.30 -0.05 1.03 -0.92 0.00 0.00 175.35 175.10 3iwk s ARG 24 N -4.51 0.42 -0.13 1.68 1.81 -1.26 -1.83 118.95 115.13 3iwk s ARG 24 Ca 0.54 -0.66 0.02 0.00 -1.72 0.00 0.00 55.73 53.90 3iwk s ARG 24 Cb -0.10 -0.11 -0.00 0.00 -0.45 0.00 0.00 34.95 34.28 3iwk s ARG 24 CO 0.41 0.01 -0.19 0.42 -0.68 0.00 0.00 175.30 175.27 3iwk s ILE 25 N -1.36 2.47 0.42 1.52 1.01 0.11 -4.82 121.20 120.54 3iwk s ILE 25 Ca -0.12 -0.86 -0.24 0.00 0.00 0.00 0.00 60.65 59.43 3iwk s ILE 25 Cb -0.10 -2.00 -0.08 0.00 0.01 0.00 0.00 42.46 40.29 3iwk s ILE 25 CO -0.00 0.54 1.09 -2.16 0.00 0.00 0.00 174.94 174.41 3iwk s PRO 26 N 0.53 4.02 -0.21 2.79 0.04 -1.26 0.03 135.00 140.93 3iwk s PRO 26 Ca -0.12 1.61 -0.04 0.00 0.04 0.00 0.00 61.00 62.49 3iwk s PRO 26 Cb -0.16 -2.50 -0.02 0.00 0.04 0.00 0.00 34.50 31.86 3iwk s PRO 26 CO 0.04 -0.29 -0.02 1.21 0.04 0.00 0.00 177.00 177.99 3iwk s ASN 27 N -1.48 4.58 -0.10 6.66 2.47 0.35 -4.85 114.94 122.56 3iwk s ASN 27 Ca 0.60 -0.29 -0.10 0.00 0.42 0.00 0.00 52.86 53.49 3iwk s ASN 27 Cb -0.24 -1.78 -0.05 0.00 -1.45 0.00 0.00 41.25 37.73 3iwk s ASN 27 CO 0.30 0.02 0.22 -0.63 -3.72 0.00 0.00 177.10 173.30 3iwk s ILE 28 N 1.23 5.36 -0.35 -5.21 -1.09 -1.26 -1.43 121.20 118.44 3iwk s ILE 28 Ca 0.03 0.40 -0.29 0.00 -2.23 0.00 0.00 60.65 58.56 3iwk s ILE 28 Cb -0.14 -3.50 0.01 0.00 -1.58 0.00 0.00 42.46 37.24 3iwk s ILE 28 CO 0.00 0.58 1.23 0.21 -1.23 0.00 0.00 174.94 175.73 3iwk s ASN 29 N -0.83 6.68 0.59 3.58 3.04 0.21 -4.91 114.94 123.30 3iwk s ASN 29 Ca 0.17 0.99 0.37 0.00 0.04 0.00 0.00 52.86 54.42 3iwk s ASN 29 Cb -0.13 -2.54 1.84 0.00 -1.54 0.00 0.00 41.25 38.87 3iwk s ASN 29 CO 0.06 -1.11 2.17 1.55 -3.04 0.00 0.00 177.10 176.73 3iwk h PRO 30 N 9.18 0.00 0.00 0.43 0.13 -1.80 0.30 132.00 140.24 3iwk h PRO 30 Ca -0.24 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.71 3iwk h PRO 30 Cb 1.08 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.19 3iwk h PRO 30 CO 1.06 0.03 -1.03 1.03 -0.23 0.00 0.00 178.00 178.86 3iwk h SER 31 N 0.00 0.00 0.00 1.44 0.87 -1.91 -0.88 113.55 113.07 3iwk h SER 31 Ca -0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.55 3iwk h SER 31 Cb 0.25 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.21 3iwk h SER 31 CO 0.00 0.74 -1.18 0.35 -0.53 0.00 0.00 176.83 176.21 3iwk n THR 32 N -3.17 0.03 -0.99 2.23 -2.24 -0.95 -3.52 114.28 105.68 3iwk n THR 32 Ca -0.04 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 3iwk n THR 32 Cb 0.87 0.25 0.00 0.00 -2.10 0.00 0.00 70.33 69.34 3iwk n THR 32 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3iwk n GLU 33 N -1.70 -0.03 -3.25 -0.78 1.02 0.10 -4.52 120.64 111.49 3iwk n GLU 33 Ca -0.01 0.01 -0.36 0.00 -0.02 0.00 0.00 57.16 56.78 3iwk n GLU 33 Cb 0.17 -2.77 -0.06 0.00 -0.02 0.00 0.00 31.44 28.75 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 -2.56 6.92 0.14 1.62 0.01 -1.25 -4.80 114.94 115.01 3iwk s ASN 34 Ca 0.00 1.22 -0.31 0.00 -0.71 0.00 0.00 52.86 53.06 3iwk s ASN 34 Cb 0.00 -2.34 -0.09 0.00 0.41 0.00 0.00 41.25 39.23 3iwk s ASN 34 CO 0.00 0.07 1.44 -0.63 -1.51 0.00 0.00 177.10 176.48 3iwk s ILE 35 N -1.49 3.07 0.00 0.60 1.01 -1.26 -0.62 121.20 122.51 3iwk s ILE 35 Ca 0.40 0.77 0.00 0.00 0.00 0.00 0.00 60.65 61.82 3iwk s ILE 35 Cb -0.16 -3.50 0.00 0.00 0.01 0.00 0.00 42.46 38.82 3iwk s ILE 35 CO 0.20 0.06 0.31 2.30 0.00 0.00 0.00 174.94 177.81 3iwk n ILE 36 N 3.87 0.00 -1.58 2.92 -5.35 -0.52 -4.91 119.36 113.80 3iwk n ILE 36 Ca 0.12 -0.34 0.00 0.00 -0.27 0.00 0.00 62.75 62.26 3iwk n ILE 36 Cb 0.41 1.29 0.00 0.00 -1.74 0.00 0.00 39.64 39.60 3iwk n ILE 36 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3iwk n GLY 37 N 0.06 -1.81 3.32 3.28 0.00 -1.23 -5.04 105.19 103.77 3iwk n GLY 37 Ca 0.00 -1.14 -0.12 0.00 0.00 0.00 0.00 46.02 44.77 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 -1.75 0.22 0.01 1.61 1.47 -1.26 -0.50 116.67 116.46 3iwk s ASP 38 Ca 0.00 -1.30 0.03 0.00 1.18 0.00 0.00 52.55 52.46 3iwk s ASP 38 Cb 0.00 0.46 -0.01 0.00 -0.34 0.00 0.00 42.92 43.02 3iwk s ASP 38 CO 0.00 -0.95 -0.10 -0.63 0.68 0.00 0.00 175.17 174.17 3iwk s ILE 39 N -4.03 0.78 0.31 2.11 1.09 0.10 -4.86 121.20 116.70 3iwk s ILE 39 Ca 0.35 -0.61 -0.29 0.00 -1.10 0.00 0.00 60.65 58.99 3iwk s ILE 39 Cb 0.04 -0.69 -0.11 0.00 -1.06 0.00 0.00 42.46 40.64 3iwk s ILE 39 CO 0.13 0.09 1.47 -2.84 -0.10 0.00 0.00 174.94 173.68 3iwk s PRO 40 N -0.59 4.21 -0.64 2.79 0.02 -1.26 0.05 135.00 139.58 3iwk s PRO 40 Ca 0.01 2.42 -0.10 0.00 0.02 0.00 0.00 61.00 63.35 3iwk s PRO 40 Cb -0.05 -3.05 0.16 0.00 0.02 0.00 0.00 34.50 31.58 3iwk s PRO 40 CO 0.00 -0.46 0.53 0.00 -0.33 0.00 0.00 177.00 176.74 3iwk s ALA 41 N -0.48 3.71 0.55 -1.55 0.00 -0.76 -3.50 121.76 119.73 3iwk s ALA 41 Ca 0.57 -2.96 -0.19 0.00 0.00 0.00 0.00 51.96 49.38 3iwk s ALA 41 Cb -0.44 -3.09 -0.05 0.00 0.00 0.00 0.00 23.12 19.54 3iwk s ALA 41 CO 0.51 -2.09 1.10 0.00 0.00 0.00 0.00 175.76 175.28 3iwk s ALA 42 N 0.68 2.71 0.42 0.00 0.00 0.30 -4.49 121.76 121.38 3iwk s ALA 42 Ca 0.12 0.69 0.03 0.00 0.00 0.00 0.00 51.96 52.80 3iwk s ALA 42 Cb -0.20 -3.32 -0.03 0.00 0.00 0.00 0.00 23.12 19.58 3iwk s ALA 42 CO -0.04 -0.74 0.10 0.99 0.00 0.00 0.00 175.76 176.07 3iwk s THR 43 N -1.97 0.79 0.29 0.00 2.01 -1.26 -3.90 115.64 111.61 3iwk s THR 43 Ca 0.70 -2.00 0.01 0.00 0.31 0.00 0.00 61.69 60.71 3iwk s THR 43 Cb -0.21 -2.37 0.40 0.00 0.01 0.00 0.00 72.50 70.34 3iwk s THR 43 CO 0.28 0.00 1.49 1.17 -0.69 0.00 0.00 174.62 176.88 3iwk n LYS 44 N -0.96 -0.08 -0.12 4.92 0.00 -1.26 -1.10 118.16 119.55 3iwk n LYS 44 Ca -0.08 1.43 -0.10 0.00 0.00 0.00 0.00 58.31 59.55 3iwk n LYS 44 Cb 0.66 -2.26 -0.02 0.00 0.00 0.00 0.00 35.03 33.40 3iwk n LYS 44 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 3iwk h GLU 45 N 0.00 0.60 -0.76 1.64 5.08 -1.99 -0.58 114.58 118.58 3iwk h GLU 45 Ca 0.57 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.73 3iwk h GLU 45 Cb 1.17 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.32 3iwk h GLU 45 CO -0.90 0.69 0.36 -0.44 -1.00 0.00 0.00 179.01 177.72 3iwk h ASP 46 N 0.43 0.98 -0.57 1.42 3.45 -1.51 -2.32 116.42 118.30 3iwk h ASP 46 Ca 0.11 -0.11 -0.08 0.00 0.43 0.00 0.00 57.03 57.37 3iwk h ASP 46 Cb 0.39 -0.25 -0.02 0.00 -0.56 0.00 0.00 39.33 38.88 3iwk h ASP 46 CO 0.01 0.83 0.05 0.58 -1.57 0.00 0.00 179.24 179.14 3iwk h VAL 47 N 1.08 1.26 -0.87 -1.35 2.07 -1.05 -2.27 116.25 115.12 3iwk h VAL 47 Ca 0.26 -1.06 0.07 0.00 0.82 0.00 0.00 66.70 66.80 3iwk h VAL 47 Cb 0.11 0.82 -0.06 0.00 -1.52 0.00 0.00 31.29 30.63 3iwk h VAL 47 CO -0.03 0.38 0.53 0.44 0.02 0.00 0.00 177.57 178.91 3iwk h ASP 48 N 0.87 0.83 -0.51 0.57 5.19 -0.82 -1.40 116.42 121.15 3iwk h ASP 48 Ca 0.17 0.02 -0.10 0.00 -0.62 0.00 0.00 57.03 56.51 3iwk h ASP 48 Cb 0.48 -0.15 -0.02 0.00 0.18 0.00 0.00 39.33 39.82 3iwk h ASP 48 CO 0.02 0.52 -0.05 -0.07 -3.12 0.00 0.00 179.24 176.54 3iwk h LEU 49 N 0.95 0.95 -0.35 1.55 3.38 -1.14 -1.90 115.31 118.76 3iwk h LEU 49 Ca 0.39 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 3iwk h LEU 49 Cb 0.22 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3iwk h LEU 49 CO -0.19 1.03 0.05 0.00 0.09 0.00 0.00 178.44 179.42 3iwk h ALA 50 N 1.06 0.46 -0.46 1.53 0.00 -0.99 -1.86 119.26 119.00 3iwk h ALA 50 Ca 0.15 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 3iwk h ALA 50 Cb 0.58 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3iwk h ALA 50 CO 0.03 0.17 0.07 0.28 0.00 0.00 0.00 179.25 179.81 3iwk h VAL 51 N 0.41 1.25 -0.61 0.00 2.07 -1.22 -1.44 116.25 116.71 3iwk h VAL 51 Ca 0.10 -0.91 0.07 0.00 0.82 0.00 0.00 66.70 66.78 3iwk h VAL 51 Cb 0.37 0.94 -0.06 0.00 -1.52 0.00 0.00 31.29 31.03 3iwk h VAL 51 CO 0.01 0.32 0.30 0.44 0.02 0.00 0.00 177.57 178.66 3iwk h ASP 52 N 0.63 0.40 -0.66 0.57 3.32 -1.32 0.13 116.42 119.49 3iwk h ASP 52 Ca 0.14 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.24 3iwk h ASP 52 Cb 0.39 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.88 3iwk h ASP 52 CO 0.01 0.26 0.43 0.00 -1.72 0.00 0.00 179.24 178.22 3iwk h ALA 53 N 1.35 0.84 -0.33 3.45 0.00 -1.07 -0.15 119.26 123.35 3iwk h ALA 53 Ca 0.29 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 3iwk h ALA 53 Cb 0.24 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3iwk h ALA 53 CO -0.22 0.28 0.05 0.00 0.00 0.00 0.00 179.25 179.37 3iwk h ALA 54 N 1.23 0.44 -0.18 0.00 0.00 -0.64 -0.65 119.26 119.47 3iwk h ALA 54 Ca 0.24 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.99 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 -0.05 0.14 -0.09 0.87 0.00 0.00 0.00 179.25 180.12 3iwk h LYS 55 N 0.38 -0.07 -0.04 0.00 1.79 -0.55 -2.41 116.57 115.67 3iwk h LYS 55 Ca 0.10 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.51 3iwk h LYS 55 Cb 0.35 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.01 3iwk h LYS 55 CO 0.01 -0.04 -0.28 0.00 -1.08 0.00 0.00 179.45 178.05 3iwk h ARG 56 N -0.07 0.07 0.00 3.15 3.08 -0.97 -1.57 114.38 118.08 3iwk h ARG 56 Ca 0.10 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.10 3iwk h ARG 56 Cb 0.22 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.26 3iwk h ARG 56 CO -0.23 0.35 -0.15 0.00 -1.07 0.00 0.00 179.97 178.88 3iwk h ALA 57 N 1.65 1.22 0.13 0.04 0.00 -0.64 0.32 119.26 121.98 3iwk h ALA 57 Ca 0.01 -0.13 -0.35 0.00 0.00 0.00 0.00 54.91 54.43 3iwk h ALA 57 Cb 0.54 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3iwk h ALA 57 CO 0.04 0.19 -1.90 0.82 0.00 0.00 0.00 179.25 178.39 3iwk h ILE 58 N 0.00 0.69 0.54 0.00 2.04 -1.02 -3.40 117.51 116.36 3iwk h ILE 58 Ca -0.00 -2.35 -0.03 0.00 1.00 0.00 0.00 64.86 63.48 3iwk h ILE 58 Cb 0.43 2.53 0.01 0.00 -0.74 0.00 0.00 36.82 39.05 3iwk h ILE 58 CO 0.02 0.85 -0.26 0.28 0.00 0.00 0.00 178.15 179.04 3iwk h SER 59 N -0.01 -0.61 -0.71 1.72 0.02 -1.19 -3.24 113.55 109.53 3iwk h SER 59 Ca -0.41 -0.03 -0.60 0.00 -0.84 0.00 0.00 61.79 59.91 3iwk h SER 59 Cb 1.98 0.16 0.02 0.00 0.14 0.00 0.00 62.40 64.70 3iwk h SER 59 CO 0.08 -0.36 0.35 -1.14 -1.14 0.00 0.00 176.83 174.62 3iwk n ARG 60 N -5.36 0.00 -3.45 3.45 0.63 0.09 -1.90 116.66 110.13 3iwk n ARG 60 Ca -0.12 0.00 -0.25 0.00 -0.92 0.00 0.00 57.85 56.56 3iwk n ARG 60 Cb 0.32 -1.06 0.04 0.00 0.45 0.00 0.00 32.46 32.21 3iwk n ARG 60 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 3iwk n LYS 61 N 2.28 -5.93 -1.85 -0.14 5.02 -1.26 -0.94 118.16 115.34 3iwk n LYS 61 Ca 0.20 0.77 -0.21 0.00 -2.02 0.00 0.00 58.31 57.05 3iwk n LYS 61 Cb -0.01 -5.69 -0.07 0.00 -0.02 0.00 0.00 35.03 29.24 3iwk n LYS 61 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3iwk n ASN 62 N -2.73 -5.61 0.00 4.39 3.02 -0.80 -2.04 115.26 111.49 3iwk n ASN 62 Ca -0.03 0.35 0.00 0.00 -0.03 0.00 0.00 54.58 54.88 3iwk n ASN 62 Cb 0.57 -4.87 0.00 0.00 -0.61 0.00 0.00 39.78 34.88 3iwk n ASN 62 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3iwk n GLY 63 N -0.58 0.86 0.32 7.41 0.00 -0.12 -4.66 105.19 108.42 3iwk n GLY 63 Ca -0.22 0.00 0.18 0.00 0.00 0.00 0.00 46.02 45.98 3iwk n GLY 63 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3iwk h ARG 64 N 3.07 0.00 0.05 1.61 2.43 -1.51 0.34 114.38 120.37 3iwk h ARG 64 Ca 0.00 0.00 -0.23 0.00 -0.81 0.00 0.00 59.98 58.94 3iwk h ARG 64 Cb 0.00 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 3iwk h ARG 64 CO 0.00 0.00 -1.07 -0.44 -1.51 0.00 0.00 179.97 176.95 3iwk h ASP 65 N 0.00 0.23 0.00 -3.80 3.32 -1.82 -3.35 116.42 111.00 3iwk h ASP 65 Ca 0.01 -0.23 0.00 0.00 0.02 0.00 0.00 57.03 56.83 3iwk h ASP 65 Cb 0.08 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3iwk h ASP 65 CO -0.00 1.14 0.00 1.87 -1.72 0.00 0.00 179.24 180.53 3iwk n TRP 66 N -3.49 -0.26 -0.35 4.55 -0.00 -0.63 -4.78 117.44 112.47 3iwk n TRP 66 Ca -0.04 0.00 0.01 0.00 -0.00 0.00 0.00 57.50 57.47 3iwk n TRP 66 Cb 0.94 0.41 0.17 0.00 -0.00 0.00 0.00 31.31 32.83 3iwk n TRP 66 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 177.69 178.35 3iwk h SER 67 N 0.00 1.05 -0.02 5.87 4.64 -1.58 -2.47 113.55 121.04 3iwk h SER 67 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3iwk h SER 67 Cb 0.00 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 61.85 3iwk h SER 67 CO 0.00 0.71 -0.29 0.00 -0.87 0.00 0.00 176.83 176.39 3iwk n ALA 68 N -2.38 3.12 -0.62 5.18 0.00 0.11 -4.79 120.51 121.14 3iwk n ALA 68 Ca 0.14 -0.66 -0.29 0.00 0.00 0.00 0.00 53.44 52.63 3iwk n ALA 68 Cb 0.12 -0.80 0.25 0.00 0.00 0.00 0.00 19.45 19.02 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 -2.29 -0.39 0.54 0.00 0.00 -0.93 -4.78 121.76 113.91 3iwk s ALA 69 Ca 0.22 -0.37 -0.18 0.00 0.00 0.00 0.00 51.96 51.63 3iwk s ALA 69 Cb 0.19 -3.14 -0.06 0.00 0.00 0.00 0.00 23.12 20.11 3iwk s ALA 69 CO 0.46 -3.92 1.05 -1.54 0.00 0.00 0.00 175.76 171.82 3iwk s SER 70 N -2.84 6.07 0.35 0.00 1.04 -1.26 -4.95 113.70 112.11 3iwk s SER 70 Ca 0.68 1.90 0.03 0.00 0.48 0.00 0.00 55.95 59.03 3iwk s SER 70 Cb -0.21 -2.55 0.65 0.00 0.10 0.00 0.00 66.02 64.01 3iwk s SER 70 CO 0.62 -0.97 2.01 1.23 0.98 0.00 0.00 173.24 177.11 3iwk h GLY 71 N 1.06 0.86 0.99 7.32 0.00 -1.89 -2.48 103.07 108.92 3iwk h GLY 71 Ca -0.48 -0.33 0.02 0.00 0.00 0.00 0.00 47.33 46.54 3iwk h GLY 71 CO 0.58 0.32 0.64 1.76 0.00 0.00 0.00 176.54 179.84 3iwk h SER 72 N 0.83 1.09 -0.03 0.19 0.02 -1.83 0.49 113.55 114.30 3iwk h SER 72 Ca 0.22 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.15 3iwk h SER 72 Cb -0.08 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.20 3iwk h SER 72 CO -0.05 0.77 0.01 0.25 -1.14 0.00 0.00 176.83 176.67 3iwk h LEU 73 N 1.28 0.04 -0.93 5.07 5.85 -1.83 -2.29 115.31 122.50 3iwk h LEU 73 Ca 0.37 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.91 3iwk h LEU 73 Cb -0.08 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 40.89 3iwk h LEU 73 CO -0.10 0.21 0.58 0.03 -0.34 0.00 0.00 178.44 178.82 3iwk h ARG 74 N -0.13 1.25 -0.96 1.25 3.08 -1.34 -2.62 114.38 114.91 3iwk h ARG 74 Ca 0.01 -0.10 0.11 0.00 0.07 0.00 0.00 59.98 60.06 3iwk h ARG 74 Cb 0.18 -0.27 -0.08 0.00 0.08 0.00 0.00 29.97 29.89 3iwk h ARG 74 CO -0.00 0.86 0.59 0.00 -1.07 0.00 0.00 179.97 180.35 3iwk h ALA 75 N 1.32 1.41 -0.54 0.04 0.00 -0.71 -0.61 119.26 120.17 3iwk h ALA 75 Ca 0.34 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.21 3iwk h ALA 75 Cb -0.08 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3iwk h ALA 75 CO -0.07 0.22 0.10 0.00 0.00 0.00 0.00 179.25 179.50 3iwk h ARG 76 N 0.97 0.85 -0.39 0.00 3.08 -1.03 -1.24 114.38 116.62 3iwk h ARG 76 Ca 0.46 -0.19 -0.16 0.00 0.07 0.00 0.00 59.98 60.17 3iwk h ARG 76 Cb 0.42 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 3iwk h ARG 76 CO -0.25 0.79 -0.37 1.88 -1.07 0.00 0.00 179.97 180.95 3iwk h TYR 77 N 0.81 1.10 -0.64 3.04 0.05 -1.15 -2.04 116.97 118.14 3iwk h TYR 77 Ca 0.17 -0.32 -0.04 0.00 0.05 0.00 0.00 58.73 58.59 3iwk h TYR 77 Cb 0.35 -0.23 -0.03 0.00 1.01 0.00 0.00 36.73 37.82 3iwk h TYR 77 CO 0.02 1.14 0.25 -0.07 -1.05 0.00 0.00 178.16 178.46 3iwk h LEU 78 N 0.75 0.86 -0.29 3.88 3.38 -0.78 -0.89 115.31 122.23 3iwk h LEU 78 Ca 0.06 -0.12 -0.20 0.00 0.09 0.00 0.00 57.88 57.72 3iwk h LEU 78 Cb 0.96 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.49 3iwk h LEU 78 CO 0.09 0.77 -0.75 0.03 0.09 0.00 0.00 178.44 178.67 3iwk h ARG 79 N 0.92 0.60 -0.62 1.13 3.08 -1.21 -1.92 114.38 116.37 3iwk h ARG 79 Ca 0.22 -0.48 -0.07 0.00 0.07 0.00 0.00 59.98 59.71 3iwk h ARG 79 Cb 0.18 0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.31 3iwk h ARG 79 CO -0.02 1.11 0.10 0.00 -1.07 0.00 0.00 179.97 180.09 3iwk h ALA 80 N 0.76 1.01 -0.35 0.04 0.00 -1.11 0.70 119.26 120.32 3iwk h ALA 80 Ca -0.04 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 3iwk h ALA 80 Cb 1.35 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 3iwk h ALA 80 CO 0.14 0.63 0.14 0.82 0.00 0.00 0.00 179.25 180.98 3iwk h ILE 81 N 0.94 1.18 -0.43 0.00 2.04 -1.16 -2.55 117.51 117.53 3iwk h ILE 81 Ca 0.19 -0.56 0.00 0.00 1.00 0.00 0.00 64.86 65.49 3iwk h ILE 81 Cb 0.41 0.90 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 3iwk h ILE 81 CO 0.01 0.20 0.27 0.00 0.00 0.00 0.00 178.15 178.63 3iwk h ALA 82 N 0.99 0.55 -0.70 1.87 0.00 -0.96 -0.77 119.26 120.23 3iwk h ALA 82 Ca 0.12 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3iwk h ALA 82 Cb 0.17 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3iwk h ALA 82 CO -0.01 0.03 0.35 0.00 0.00 0.00 0.00 179.25 179.62 3iwk h ALA 83 N 1.14 0.91 -0.19 0.00 0.00 -0.86 0.58 119.26 120.84 3iwk h ALA 83 Ca 0.16 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 3iwk h ALA 83 Cb -0.03 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 3iwk h ALA 83 CO -0.03 0.46 -0.42 -0.22 0.00 0.00 0.00 179.25 179.04 3iwk h LYS 84 N 0.98 0.44 -0.22 0.00 3.64 -1.29 -0.69 116.57 119.43 3iwk h LYS 84 Ca 0.24 -0.22 -0.09 0.00 -1.27 0.00 0.00 60.65 59.32 3iwk h LYS 84 Cb 0.10 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.92 3iwk h LYS 84 CO -0.03 0.78 -0.20 0.82 -2.27 0.00 0.00 179.45 178.55 3iwk h ILE 85 N 0.36 1.32 -0.57 2.00 2.04 -0.78 -2.84 117.51 119.05 3iwk h ILE 85 Ca 0.03 -1.35 0.03 0.00 1.00 0.00 0.00 64.86 64.57 3iwk h ILE 85 Cb 0.89 1.71 -0.04 0.00 -0.74 0.00 0.00 36.82 38.63 3iwk h ILE 85 CO 0.07 0.42 0.34 0.50 0.00 0.00 0.00 178.15 179.48 3iwk h LYS 86 N 0.22 0.64 -1.00 2.37 3.64 -0.78 -2.20 116.57 119.45 3iwk h LYS 86 Ca 0.04 -0.04 0.17 0.00 -1.27 0.00 0.00 60.65 59.54 3iwk h LYS 86 Cb 0.74 -0.15 -0.10 0.00 -0.41 0.00 0.00 32.23 32.32 3iwk h LYS 86 CO 0.05 0.43 0.62 1.49 -2.27 0.00 0.00 179.45 179.76 3iwk h GLU 87 N 0.66 0.82 -0.52 1.90 4.81 -1.10 -2.43 114.58 118.72 3iwk h GLU 87 Ca 0.23 -0.05 -0.12 0.00 -0.13 0.00 0.00 59.36 59.29 3iwk h GLU 87 Cb 0.04 -0.18 -0.07 0.00 0.63 0.00 0.00 28.75 29.16 3iwk h GLU 87 CO -0.11 0.54 0.11 1.63 -0.73 0.00 0.00 179.01 180.45 3iwk n LYS 88 N -4.72 3.36 -0.07 1.92 5.02 -0.90 -4.78 118.16 117.99 3iwk n LYS 88 Ca 0.22 -3.04 -0.07 0.00 -2.02 0.00 0.00 58.31 53.40 3iwk n LYS 88 Cb 0.50 -2.06 -0.01 0.00 -0.02 0.00 0.00 35.03 33.44 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 2.33 -0.14 -0.54 1.97 3.64 -0.90 -0.73 116.57 122.19 3iwk h LYS 89 Ca 0.15 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.47 3iwk h LYS 89 Cb 1.94 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 33.77 3iwk h LYS 89 CO 0.51 -0.10 0.08 -0.44 -2.27 0.00 0.00 179.45 177.23 3iwk h ASP 90 N -0.15 0.87 0.05 4.20 3.32 -1.86 -0.52 116.42 122.33 3iwk h ASP 90 Ca 0.16 -0.26 -0.00 0.00 0.02 0.00 0.00 57.03 56.94 3iwk h ASP 90 Cb 0.39 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.70 3iwk h ASP 90 CO -0.38 0.92 -0.03 -0.08 -1.72 0.00 0.00 179.24 177.95 3iwk h GLU 91 N 0.80 -0.07 -0.26 3.56 4.81 -1.85 -2.54 114.58 119.03 3iwk h GLU 91 Ca 0.16 0.00 -0.10 0.00 -0.13 0.00 0.00 59.36 59.30 3iwk h GLU 91 Cb 0.42 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 3iwk h GLU 91 CO 0.01 0.08 -0.26 -0.07 -0.73 0.00 0.00 179.01 178.03 3iwk h LEU 92 N -0.20 0.50 -0.67 1.64 3.38 -1.12 -2.43 115.31 116.41 3iwk h LEU 92 Ca -0.01 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 3iwk h LEU 92 Cb 0.18 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 3iwk h LEU 92 CO 0.01 0.76 0.39 1.23 0.09 0.00 0.00 178.44 180.92 3iwk h GLY 93 N 1.02 0.98 1.74 0.83 0.00 -1.06 0.84 103.07 107.42 3iwk h GLY 93 Ca 0.06 -0.42 -0.15 0.00 0.00 0.00 0.00 47.33 46.82 3iwk h GLY 93 CO 0.05 0.40 -0.61 0.07 0.00 0.00 0.00 176.54 176.45 3iwk h LYS 94 N 0.91 0.27 -0.45 4.80 2.10 -1.31 -1.53 116.57 121.35 3iwk h LYS 94 Ca 0.24 -0.19 -0.01 0.00 -2.00 0.00 0.00 60.65 58.69 3iwk h LYS 94 Cb -0.01 0.03 -0.02 0.00 -0.90 0.00 0.00 32.23 31.33 3iwk h LYS 94 CO -0.04 0.80 0.23 -0.07 -2.00 0.00 0.00 179.45 178.37 3iwk h LEU 95 N 0.20 0.57 -0.13 7.07 4.07 -1.18 -2.21 115.31 123.70 3iwk h LEU 95 Ca -0.01 -0.10 -0.01 0.00 0.08 0.00 0.00 57.88 57.84 3iwk h LEU 95 Cb 1.13 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 42.72 3iwk h LEU 95 CO 0.10 0.51 0.06 -0.08 -1.08 0.00 0.00 178.44 177.95 3iwk h GLU 96 N 0.59 0.19 -0.37 1.13 4.57 -0.67 -1.85 114.58 118.17 3iwk h GLU 96 Ca 0.16 -0.03 0.07 0.00 -1.18 0.00 0.00 59.36 58.37 3iwk h GLU 96 Cb 0.08 -0.03 -0.06 0.00 -0.16 0.00 0.00 28.75 28.58 3iwk h GLU 96 CO -0.02 0.27 0.00 1.03 -1.18 0.00 0.00 179.01 179.10 3iwk h SER 97 N 0.07 -0.15 -0.86 1.04 0.87 -1.24 -2.12 113.55 111.16 3iwk h SER 97 Ca 0.04 0.08 -0.00 0.00 -1.23 0.00 0.00 61.79 60.68 3iwk h SER 97 Cb 0.14 0.15 -0.04 0.00 -0.44 0.00 0.00 62.40 62.21 3iwk h SER 97 CO -0.00 -0.04 0.53 0.40 -0.53 0.00 0.00 176.83 177.18 3iwk h ILE 98 N 0.10 1.24 -0.27 2.23 2.04 -1.34 0.60 117.51 122.10 3iwk h ILE 98 Ca 0.18 -0.51 -0.15 0.00 1.00 0.00 0.00 64.86 65.38 3iwk h ILE 98 Cb 0.25 0.02 -0.00 0.00 -0.74 0.00 0.00 36.82 36.35 3iwk h ILE 98 CO -0.30 0.25 -0.40 -0.78 0.00 0.00 0.00 178.15 176.92 3iwk h ASP 99 N 1.18 0.83 0.00 1.72 3.58 -0.70 -3.37 116.42 119.66 3iwk h ASP 99 Ca 0.31 -0.51 0.00 0.00 0.42 0.00 0.00 57.03 57.25 3iwk h ASP 99 Cb -0.06 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 40.76 3iwk h ASP 99 CO -0.06 1.18 -0.87 0.00 -2.88 0.00 0.00 179.24 176.61 3iwk n GLY 101 N 1.72 0.50 3.78 0.00 0.00 0.20 -4.33 105.19 107.06 3iwk n GLY 101 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.94 4.26 0.33 1.61 -2.85 -1.22 -3.80 119.74 117.13 3iwk s LYS 102 Ca 0.00 1.44 -0.27 0.00 -1.00 0.00 0.00 55.97 56.15 3iwk s LYS 102 Cb 0.00 -2.57 -0.13 0.00 -2.06 0.00 0.00 37.83 33.07 3iwk s LYS 102 CO 0.00 -0.04 1.01 -2.30 0.10 0.00 0.00 175.35 174.11 3iwk n PRO 103 N 0.02 1.38 -0.34 1.78 -0.02 -1.26 -4.54 135.00 132.01 3iwk n PRO 103 Ca 0.04 0.49 0.12 0.00 -2.02 0.00 0.00 63.50 62.13 3iwk n PRO 103 Cb 0.50 -1.91 0.30 0.00 -0.02 0.00 0.00 33.50 32.37 3iwk n PRO 103 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3iwk h LEU 104 N 1.86 0.75 -1.55 2.45 5.85 -1.63 -0.03 115.31 123.01 3iwk h LEU 104 Ca -0.41 0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.35 3iwk h LEU 104 Cb 1.34 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.33 3iwk h LEU 104 CO 0.59 0.27 -0.24 -0.33 -0.34 0.00 0.00 178.44 178.40 3iwk h GLU 105 N 0.75 0.00 -0.17 1.25 5.08 -1.86 -0.06 114.58 119.56 3iwk h GLU 105 Ca 0.56 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.74 3iwk h GLU 105 Cb 0.86 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.11 3iwk h GLU 105 CO -0.38 0.24 -0.61 0.93 -1.00 0.00 0.00 179.01 178.19 3iwk h GLU 106 N 0.00 0.72 -0.53 2.33 5.08 -1.36 -2.92 114.58 117.90 3iwk h GLU 106 Ca -0.00 -0.54 -0.08 0.00 -1.00 0.00 0.00 59.36 57.74 3iwk h GLU 106 Cb 0.49 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 3iwk h GLU 106 CO 0.03 1.16 0.01 0.00 -1.00 0.00 0.00 179.01 179.21 3iwk h ALA 107 N 0.56 1.03 -0.43 3.43 0.00 -0.68 -0.39 119.26 122.79 3iwk h ALA 107 Ca -0.03 -0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.47 3iwk h ALA 107 Cb 1.24 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 3iwk h ALA 107 CO 0.13 0.61 -0.27 -0.07 0.00 0.00 0.00 179.25 179.65 3iwk h LEU 108 N 0.82 0.98 -0.37 0.00 3.38 -1.11 -1.82 115.31 117.19 3iwk h LEU 108 Ca 0.16 -0.42 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 3iwk h LEU 108 Cb 0.47 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3iwk h LEU 108 CO 0.02 1.19 0.18 0.00 0.09 0.00 0.00 178.44 179.92 3iwk h ALA 109 N 0.82 0.48 -0.79 1.53 0.00 -1.30 -2.63 119.26 117.37 3iwk h ALA 109 Ca 0.09 -0.10 0.17 0.00 0.00 0.00 0.00 54.91 55.07 3iwk h ALA 109 Cb 0.85 -0.15 -0.11 0.00 0.00 0.00 0.00 17.79 18.38 3iwk h ALA 109 CO 0.07 0.04 0.26 -0.44 0.00 0.00 0.00 179.25 179.19 3iwk h ASP 110 N 0.47 0.16 -0.34 0.00 3.45 -0.91 -2.11 116.42 117.14 3iwk h ASP 110 Ca 0.13 0.14 -0.13 0.00 0.43 0.00 0.00 57.03 57.60 3iwk h ASP 110 Cb 0.11 0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 39.02 3iwk h ASP 110 CO -0.02 0.00 -0.28 -0.07 -1.57 0.00 0.00 179.24 177.30 3iwk h LEU 111 N 0.34 0.89 -0.10 1.55 4.07 -0.96 -0.48 115.31 120.61 3iwk h LEU 111 Ca 0.46 -0.35 0.00 0.00 0.08 0.00 0.00 57.88 58.06 3iwk h LEU 111 Cb 0.80 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 42.29 3iwk h LEU 111 CO -0.50 1.11 -0.25 -0.90 -1.08 0.00 0.00 178.44 176.82 3iwk n ASP 112 N -4.09 0.40 -0.02 -0.43 5.68 -1.12 -1.72 116.55 115.26 3iwk n ASP 112 Ca -0.01 -0.19 -0.13 0.00 -0.50 0.00 0.00 54.79 53.97 3iwk n ASP 112 Cb 0.48 -0.04 -0.00 0.00 -1.14 0.00 0.00 41.12 40.41 3iwk n ASP 112 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 3iwk h ASP 113 N 0.25 0.77 -0.13 -1.12 3.32 -0.97 -2.15 116.42 116.40 3iwk h ASP 113 Ca 0.00 -0.45 0.01 0.00 0.02 0.00 0.00 57.03 56.62 3iwk h ASP 113 Cb 0.46 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 3iwk h ASP 113 CO 0.00 1.21 0.05 0.58 -1.72 0.00 0.00 179.24 179.36 3iwk h VAL 114 N 0.50 0.98 -0.22 -1.35 2.07 -0.66 -0.20 116.25 117.37 3iwk h VAL 114 Ca -0.01 -0.04 0.02 0.00 0.82 0.00 0.00 66.70 67.49 3iwk h VAL 114 Cb 1.21 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.81 3iwk h VAL 114 CO 0.12 0.02 0.09 0.58 0.02 0.00 0.00 177.57 178.41 3iwk h VAL 115 N 0.12 0.98 0.00 2.57 2.07 -1.38 -1.93 116.25 118.67 3iwk h VAL 115 Ca 0.05 -0.07 -0.00 0.00 0.82 0.00 0.00 66.70 67.50 3iwk h VAL 115 Cb 0.02 0.75 -0.00 0.00 -1.52 0.00 0.00 31.29 30.55 3iwk h VAL 115 CO -0.05 0.04 -0.00 0.00 0.02 0.00 0.00 177.57 177.57 3iwk h ALA 116 N 1.12 1.00 0.13 1.67 0.00 -1.26 -1.96 119.26 119.96 3iwk h ALA 116 Ca 0.09 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.82 3iwk h ALA 116 Cb 0.04 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.84 3iwk h ALA 116 CO -0.07 0.00 -0.83 0.00 0.00 0.00 0.00 179.25 178.35 3iwk h PHE 118 N -0.42 0.72 -0.68 0.00 0.04 -1.29 -2.10 116.94 113.21 3iwk h PHE 118 Ca -0.15 -0.00 -0.06 0.00 2.80 0.00 0.00 57.97 60.56 3iwk h PHE 118 Cb 1.60 -0.24 -0.03 0.00 2.20 0.00 0.00 35.95 39.49 3iwk h PHE 118 CO 0.19 0.50 0.20 0.93 -0.60 0.00 0.00 178.31 179.53 3iwk h GLU 119 N 0.74 1.06 -0.48 1.51 5.08 -1.45 -1.33 114.58 119.70 3iwk h GLU 119 Ca 0.20 -0.23 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 3iwk h GLU 119 Cb -0.02 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 3iwk h GLU 119 CO -0.04 0.92 0.20 -0.92 -1.00 0.00 0.00 179.01 178.17 3iwk h TYR 120 N 0.99 0.73 0.00 4.33 3.20 -1.26 -2.57 116.97 122.39 3iwk h TYR 120 Ca 0.22 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 62.03 3iwk h TYR 120 Cb 0.31 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.36 3iwk h TYR 120 CO 0.02 0.61 0.00 1.88 -1.64 0.00 0.00 178.16 179.04 3iwk h TYR 121 N 0.64 0.00 -0.51 -3.82 -1.99 -1.23 -2.16 116.97 107.89 3iwk h TYR 121 Ca 0.16 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.80 3iwk h TYR 121 Cb 0.19 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.90 3iwk h TYR 121 CO 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 178.16 178.12 3iwk h ALA 122 N 2.01 0.95 0.05 3.88 0.00 -1.11 -0.83 119.26 124.21 3iwk h ALA 122 Ca 0.00 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.61 3iwk h ALA 122 Cb 0.89 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3iwk h ALA 122 CO 0.00 0.62 -0.08 0.78 0.00 0.00 0.00 179.25 180.57 3iwk h GLY 123 N 0.98 -0.14 2.00 0.00 0.00 -0.99 -2.12 103.07 102.80 3iwk h GLY 123 Ca 0.15 0.10 -0.06 0.00 0.00 0.00 0.00 47.33 47.51 3iwk h GLY 123 CO 0.03 -0.09 -0.29 1.41 0.00 0.00 0.00 176.54 177.60 3iwk h LEU 124 N -0.17 0.00 -0.34 3.11 4.07 -1.41 -2.64 115.31 117.94 3iwk h LEU 124 Ca 0.02 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.95 3iwk h LEU 124 Cb 0.19 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.91 3iwk h LEU 124 CO -0.05 0.29 0.09 0.00 -1.08 0.00 0.00 178.44 177.69 3iwk h ALA 125 N 1.71 0.44 -0.05 1.53 0.00 -0.85 -1.22 119.26 120.83 3iwk h ALA 125 Ca -0.00 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.77 3iwk h ALA 125 Cb 0.54 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 3iwk h ALA 125 CO 0.04 0.10 -0.17 0.93 0.00 0.00 0.00 179.25 180.15 3iwk h GLU 126 N 0.39 -0.24 0.00 0.00 5.08 -1.18 -2.96 114.58 115.67 3iwk h GLU 126 Ca 0.11 0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 3iwk h GLU 126 Cb 0.28 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 3iwk h GLU 126 CO -0.00 -0.16 -0.12 0.93 -1.00 0.00 0.00 179.01 178.66 3iwk h GLU 127 N -0.25 0.00 -0.43 2.33 5.08 -1.37 -2.85 114.58 117.09 3iwk h GLU 127 Ca 0.07 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.44 3iwk h GLU 127 Cb 0.34 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 3iwk h GLU 127 CO -0.19 0.12 0.29 1.25 -1.00 0.00 0.00 179.01 179.47 3iwk h LEU 128 N 0.00 0.49 -0.73 1.33 5.85 -1.04 -2.57 115.31 118.63 3iwk h LEU 128 Ca -0.00 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 3iwk h LEU 128 Cb 0.49 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 3iwk h LEU 128 CO 0.02 0.35 0.36 0.44 -0.34 0.00 0.00 178.44 179.27 3iwk h ASP 129 N 0.58 0.95 -0.02 1.25 5.19 -1.62 -2.88 116.42 119.87 3iwk h ASP 129 Ca 0.16 -0.13 0.00 0.00 -0.62 0.00 0.00 57.03 56.44 3iwk h ASP 129 Cb -0.05 -0.24 0.00 0.00 0.18 0.00 0.00 39.33 39.22 3iwk h ASP 129 CO -0.04 0.81 0.00 -1.54 -3.12 0.00 0.00 179.24 175.36 3iwk n SER 130 N -4.42 0.36 -0.52 6.45 3.41 -0.98 -2.97 113.62 114.95 3iwk n SER 130 Ca 0.06 -1.27 0.05 0.00 -0.26 0.00 0.00 58.87 57.45 3iwk n SER 130 Cb 0.13 -0.01 0.10 0.00 -0.26 0.00 0.00 64.21 64.16 3iwk n SER 130 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 3iwk n LYS 131 N -0.65 1.67 -2.16 4.33 2.85 -1.09 -4.99 118.16 118.11 3iwk n LYS 131 Ca 0.19 -1.58 -0.34 0.00 -1.05 0.00 0.00 58.31 55.53 3iwk n LYS 131 Cb 0.15 -1.23 0.01 0.00 -0.65 0.00 0.00 35.03 33.30 3iwk n LYS 131 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 3iwk s GLN 132 N -0.95 3.28 -1.52 -1.58 -1.52 -1.16 -3.59 119.66 112.63 3iwk s GLN 132 Ca 0.17 1.49 -0.04 0.00 -1.95 0.00 0.00 55.36 55.03 3iwk s GLN 132 Cb 0.10 -2.01 0.01 0.00 -0.22 0.00 0.00 33.01 30.90 3iwk s GLN 132 CO 0.14 -0.88 0.41 1.63 -0.25 0.00 0.00 175.29 176.34 3iwk n LYS 133 N -1.59 -3.77 -2.01 2.91 5.02 -0.22 -4.93 118.16 113.58 3iwk n LYS 133 Ca 0.11 0.83 -0.42 0.00 -2.02 0.00 0.00 58.31 56.81 3iwk n LYS 133 Cb 0.52 -5.61 -0.03 0.00 -0.02 0.00 0.00 35.03 29.89 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 -3.06 3.64 0.36 7.82 0.00 -1.17 -4.68 121.76 124.67 3iwk s ALA 134 Ca 0.23 1.05 -0.28 0.00 0.00 0.00 0.00 51.96 52.96 3iwk s ALA 134 Cb -0.11 -3.70 -0.10 0.00 0.00 0.00 0.00 23.12 19.22 3iwk s ALA 134 CO 0.28 -1.18 1.33 -2.14 0.00 0.00 0.00 175.76 174.06 3iwk s PRO 135 N 3.10 4.22 -0.11 0.00 0.02 -1.26 -2.20 135.00 138.77 3iwk s PRO 135 Ca 0.72 2.26 0.00 0.00 0.02 0.00 0.00 61.00 64.00 3iwk s PRO 135 Cb -0.36 -2.98 -0.02 0.00 0.02 0.00 0.00 34.50 31.17 3iwk s PRO 135 CO 0.30 -0.31 -0.13 0.96 -0.33 0.00 0.00 177.00 177.49 3iwk s ILE 136 N -1.17 3.08 -0.15 2.83 -5.25 -0.26 -4.94 121.20 115.35 3iwk s ILE 136 Ca 0.51 -0.66 -0.29 0.00 -0.99 0.00 0.00 60.65 59.22 3iwk s ILE 136 Cb -0.40 -2.28 -0.01 0.00 2.95 0.00 0.00 42.46 42.72 3iwk s ILE 136 CO 0.53 0.54 1.16 -0.55 -1.79 0.00 0.00 174.94 174.84 3iwk s SER 137 N 0.13 7.04 0.01 4.36 0.15 -1.26 -4.38 113.70 119.75 3iwk s SER 137 Ca -0.06 1.63 0.03 0.00 0.70 0.00 0.00 55.95 58.25 3iwk s SER 137 Cb -0.15 -2.55 -0.03 0.00 -1.71 0.00 0.00 66.02 61.58 3iwk s SER 137 CO 0.05 -0.66 -0.07 -0.76 1.20 0.00 0.00 173.24 173.00 3iwk s LEU 138 N 2.95 3.18 0.31 3.45 1.43 -1.26 -5.03 118.68 123.70 3iwk s LEU 138 Ca 0.52 -0.15 0.08 0.00 -1.03 0.00 0.00 54.13 53.55 3iwk s LEU 138 Cb -0.20 -1.82 0.50 0.00 0.03 0.00 0.00 46.19 44.70 3iwk s LEU 138 CO 0.15 0.28 1.71 1.55 0.23 0.00 0.00 176.35 180.27 3iwk h PRO 139 N 4.50 0.15 -6.52 1.29 0.13 -1.96 -3.43 132.00 126.16 3iwk h PRO 139 Ca -0.48 -0.07 -0.53 0.00 -0.87 0.00 0.00 66.00 64.04 3iwk h PRO 139 Cb 1.17 -0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.31 3iwk h PRO 139 CO 0.54 0.56 0.58 -1.64 -0.23 0.00 0.00 178.00 177.81 3iwk s MET 140 N -4.07 4.43 0.01 0.86 -1.94 -1.26 -4.93 119.30 112.39 3iwk s MET 140 Ca -0.04 1.82 0.29 0.00 -1.71 0.00 0.00 55.69 56.06 3iwk s MET 140 Cb 0.13 -3.32 1.20 0.00 2.01 0.00 0.00 34.83 34.86 3iwk s MET 140 CO 0.76 -0.25 1.91 -0.40 -0.01 0.00 0.00 175.02 177.03 3iwk n ASP 141 N 3.69 0.05 -0.08 3.03 3.85 -1.26 -3.90 116.55 121.93 3iwk n ASP 141 Ca 0.08 0.49 0.13 0.00 -0.71 0.00 0.00 54.79 54.78 3iwk n ASP 141 Cb 0.46 -0.50 0.38 0.00 -1.35 0.00 0.00 41.12 40.10 3iwk n ASP 141 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 3iwk n THR 142 N -1.54 0.00 -4.43 2.12 -2.24 -1.26 -4.86 114.28 102.07 3iwk n THR 142 Ca 0.07 -0.04 -0.20 0.00 -2.27 0.00 0.00 64.05 61.61 3iwk n THR 142 Cb 0.34 0.15 -0.14 0.00 -2.10 0.00 0.00 70.33 68.58 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 -2.80 1.06 0.06 4.78 0.40 -1.25 -1.04 117.98 119.19 3iwk s PHE 143 Ca 0.17 -0.25 0.08 0.00 -0.60 0.00 0.00 56.93 56.32 3iwk s PHE 143 Cb 0.18 -0.66 -0.03 0.00 0.51 0.00 0.00 43.02 43.02 3iwk s PHE 143 CO 0.60 -0.00 -0.19 0.15 0.70 0.00 0.00 175.22 176.47 3iwk s LYS 144 N -0.60 1.96 -0.06 0.44 1.02 0.04 -4.87 119.74 117.67 3iwk s LYS 144 Ca 0.03 -1.05 -0.10 0.00 0.02 0.00 0.00 55.97 54.87 3iwk s LYS 144 Cb -0.06 -2.14 0.02 0.00 -0.52 0.00 0.00 37.83 35.14 3iwk s LYS 144 CO 0.00 0.52 0.25 0.45 -0.92 0.00 0.00 175.35 175.65 3iwk s SER 145 N -1.56 -0.20 0.27 2.83 0.15 -1.26 -0.50 113.70 113.44 3iwk s SER 145 Ca 0.15 0.30 -0.14 0.00 0.70 0.00 0.00 55.95 56.96 3iwk s SER 145 Cb -0.10 0.43 0.01 0.00 -1.71 0.00 0.00 66.02 64.64 3iwk s SER 145 CO 0.06 -0.22 0.56 -0.72 1.20 0.00 0.00 173.24 174.12 3iwk s TYR 146 N -0.44 0.27 0.07 3.44 -0.85 -0.70 -1.10 117.35 118.04 3iwk s TYR 146 Ca -0.05 -0.67 0.09 0.00 -0.52 0.00 0.00 57.07 55.92 3iwk s TYR 146 Cb -0.04 0.34 -0.03 0.00 0.38 0.00 0.00 41.96 42.61 3iwk s TYR 146 CO 0.01 -1.10 -0.23 0.96 -1.52 0.00 0.00 175.55 173.67 3iwk s ILE 147 N -3.80 2.45 -0.00 -3.49 -4.36 -0.94 -0.77 121.20 110.29 3iwk s ILE 147 Ca 0.20 -1.42 0.05 0.00 -0.26 0.00 0.00 60.65 59.22 3iwk s ILE 147 Cb -0.02 -2.03 -0.03 0.00 1.25 0.00 0.00 42.46 41.63 3iwk s ILE 147 CO 0.10 0.27 -0.13 -0.76 0.24 0.00 0.00 174.94 174.65 3iwk s LEU 148 N -1.58 2.81 -0.38 0.37 1.43 -0.42 -1.05 118.68 119.87 3iwk s LEU 148 Ca 0.14 -0.26 -0.07 0.00 -1.03 0.00 0.00 54.13 52.91 3iwk s LEU 148 Cb -0.10 -1.62 0.06 0.00 0.03 0.00 0.00 46.19 44.56 3iwk s LEU 148 CO 0.05 0.30 0.18 -0.54 0.23 0.00 0.00 176.35 176.57 3iwk s LYS 149 N -1.16 2.55 0.14 1.70 -0.14 -1.26 -1.28 119.74 120.29 3iwk s LYS 149 Ca 0.14 -1.36 0.07 0.00 -1.36 0.00 0.00 55.97 53.46 3iwk s LYS 149 Cb -0.11 -3.61 -0.04 0.00 -1.68 0.00 0.00 37.83 32.40 3iwk s LYS 149 CO 0.04 -0.83 -0.02 -1.21 -0.76 0.00 0.00 175.35 172.57 3iwk s GLU 150 N 1.39 2.38 0.34 1.68 2.02 -0.63 -4.92 118.70 120.97 3iwk s GLU 150 Ca 0.01 -1.02 -0.29 0.00 0.02 0.00 0.00 54.97 53.70 3iwk s GLU 150 Cb -0.21 -2.39 -0.11 0.00 0.10 0.00 0.00 34.13 31.51 3iwk s GLU 150 CO 0.02 0.49 1.50 -1.25 0.02 0.00 0.00 175.26 176.03 3iwk s PRO 151 N -2.63 4.14 0.48 0.39 0.04 -1.25 -0.37 135.00 135.81 3iwk s PRO 151 Ca 0.26 2.53 0.19 0.00 0.04 0.00 0.00 61.00 64.01 3iwk s PRO 151 Cb -0.10 -3.00 1.19 0.00 0.04 0.00 0.00 34.50 32.63 3iwk s PRO 151 CO 0.18 -0.52 2.04 0.97 0.04 0.00 0.00 177.00 179.70 3iwk h ILE 152 N 3.12 0.94 0.00 0.56 6.09 -1.40 -3.43 117.51 123.39 3iwk h ILE 152 Ca -0.49 -0.53 0.00 0.00 -1.37 0.00 0.00 64.86 62.47 3iwk h ILE 152 Cb 1.23 1.30 0.00 0.00 0.47 0.00 0.00 36.82 39.82 3iwk h ILE 152 CO 0.69 0.14 0.00 0.61 -3.07 0.00 0.00 178.15 176.52 3iwk n GLY 153 N -0.98 0.36 3.64 8.18 0.00 -1.26 -4.87 105.19 110.26 3iwk n GLY 153 Ca -0.02 -1.12 -0.40 0.00 0.00 0.00 0.00 46.02 44.48 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 5.03 -0.09 1.61 1.01 -1.26 -2.71 120.40 123.99 3iwk s VAL 154 Ca 0.00 1.09 0.03 0.00 0.00 0.00 0.00 61.98 63.09 3iwk s VAL 154 Cb 0.00 -3.91 -0.02 0.00 0.00 0.00 0.00 36.38 32.46 3iwk s VAL 154 CO 0.00 0.09 -0.17 0.68 0.00 0.00 0.00 175.10 175.70 3iwk s VAL 155 N 2.14 2.79 -0.27 2.92 -7.23 -0.52 0.25 120.40 120.48 3iwk s VAL 155 Ca 0.26 -0.79 -0.15 0.00 -1.81 0.00 0.00 61.98 59.49 3iwk s VAL 155 Cb -0.16 -2.11 -0.04 0.00 0.56 0.00 0.00 36.38 34.64 3iwk s VAL 155 CO 0.09 0.56 0.39 0.00 -0.31 0.00 0.00 175.10 175.83 3iwk s ALA 156 N -0.13 3.57 -0.30 1.32 0.00 0.65 -1.21 121.76 125.65 3iwk s ALA 156 Ca -0.02 -0.79 -0.03 0.00 0.00 0.00 0.00 51.96 51.12 3iwk s ALA 156 Cb -0.14 -2.73 0.04 0.00 0.00 0.00 0.00 23.12 20.29 3iwk s ALA 156 CO 0.04 -0.66 0.02 -0.51 0.00 0.00 0.00 175.76 174.64 3iwk s LEU 157 N 2.09 3.85 -0.24 0.00 1.02 -0.38 -0.19 118.68 124.83 3iwk s LEU 157 Ca 0.16 -1.12 0.00 0.00 0.02 0.00 0.00 54.13 53.19 3iwk s LEU 157 Cb -0.16 -1.75 0.04 0.00 0.02 0.00 0.00 46.19 44.34 3iwk s LEU 157 CO 0.10 -0.24 -0.10 -0.63 0.02 0.00 0.00 176.35 175.49 3iwk s ILE 158 N 1.32 2.49 0.22 -0.59 1.01 -0.38 -0.61 121.20 124.66 3iwk s ILE 158 Ca -0.03 -1.21 0.11 0.00 0.00 0.00 0.00 60.65 59.53 3iwk s ILE 158 Cb -0.19 -2.29 -0.05 0.00 0.01 0.00 0.00 42.46 39.95 3iwk s ILE 158 CO -0.01 0.19 -0.22 0.42 0.00 0.00 0.00 174.94 175.33 3iwk s THR 159 N 1.25 2.45 0.61 2.92 -4.23 -1.11 -1.93 115.64 115.60 3iwk s THR 159 Ca -0.02 -2.15 0.00 0.00 -1.18 0.00 0.00 61.69 58.34 3iwk s THR 159 Cb -0.17 -2.22 0.06 0.00 1.34 0.00 0.00 72.50 71.51 3iwk s THR 159 CO -0.06 -0.22 0.85 -2.16 -0.54 0.00 0.00 174.62 172.49 3iwk s PRO 160 N -2.99 2.28 0.06 3.99 0.04 -1.24 -2.89 135.00 134.25 3iwk s PRO 160 Ca 0.24 -0.83 0.24 0.00 0.04 0.00 0.00 61.00 60.70 3iwk s PRO 160 Cb -0.07 -2.42 0.36 0.00 0.04 0.00 0.00 34.50 32.41 3iwk s PRO 160 CO 0.12 -0.96 1.31 -2.67 0.04 0.00 0.00 177.00 174.84 3iwk n TRP 161 N -2.52 0.28 0.00 0.56 4.27 -1.26 -3.97 117.44 114.80 3iwk n TRP 161 Ca 0.10 0.08 -0.08 0.00 -3.89 0.00 0.00 57.50 53.71 3iwk n TRP 161 Cb 0.60 -0.45 0.08 0.00 -1.36 0.00 0.00 31.31 30.17 3iwk n TRP 161 CO 0.00 0.00 0.00 -2.95 -2.29 0.00 0.00 177.69 172.45 3iwk h ASN 162 N 0.00 0.59 -2.11 -0.67 -1.07 -1.96 -3.28 115.58 107.08 3iwk h ASN 162 Ca 0.00 -0.30 -0.57 0.00 0.07 0.00 0.00 56.30 55.51 3iwk h ASN 162 Cb 0.64 -0.17 -0.41 0.00 -2.07 0.00 0.00 38.32 36.32 3iwk h ASN 162 CO 0.00 0.99 -0.87 -1.22 0.07 0.00 0.00 177.43 176.40 3iwk n TYR 163 N -3.98 1.80 -0.15 4.14 4.01 -1.26 -5.02 117.16 116.70 3iwk n TYR 163 Ca -0.03 -3.88 -0.06 0.00 -0.16 0.00 0.00 57.90 53.78 3iwk n TYR 163 Cb 0.57 -0.46 -0.00 0.00 -0.31 0.00 0.00 39.34 39.15 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 3.74 -0.19 -0.01 -0.72 0.11 -1.69 0.29 132.00 133.54 3iwk h PRO 164 Ca 0.13 0.01 -0.07 0.00 0.11 0.00 0.00 66.00 66.18 3iwk h PRO 164 Cb 0.76 0.04 0.01 0.00 0.11 0.00 0.00 31.00 31.92 3iwk h PRO 164 CO 0.65 -0.13 -0.28 0.35 -0.21 0.00 0.00 178.00 178.39 3iwk h PHE 165 N -0.20 0.29 -0.43 0.65 3.57 -1.91 -3.09 116.94 115.83 3iwk h PHE 165 Ca 0.20 -0.15 -0.03 0.00 3.53 0.00 0.00 57.97 61.52 3iwk h PHE 165 Cb 0.53 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.22 3iwk h PHE 165 CO -0.57 0.94 0.16 1.25 -2.23 0.00 0.00 178.31 177.87 3iwk h LEU 166 N -0.44 0.60 -1.11 0.59 5.85 -1.74 -0.43 115.31 118.64 3iwk h LEU 166 Ca -0.03 -0.18 -0.06 0.00 0.84 0.00 0.00 57.88 58.44 3iwk h LEU 166 Cb 1.01 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.87 3iwk h LEU 166 CO 0.05 0.62 -0.06 0.24 -0.34 0.00 0.00 178.44 178.96 3iwk h MET 167 N 0.55 0.55 -0.35 1.25 2.86 -0.57 0.35 114.93 119.58 3iwk h MET 167 Ca 0.14 -0.14 -0.09 0.00 -2.06 0.00 0.00 59.70 57.55 3iwk h MET 167 Cb 0.22 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.80 3iwk h MET 167 CO -0.01 0.62 -0.14 0.00 1.06 0.00 0.00 176.91 178.45 3iwk h ALA 168 N 1.42 0.49 -0.59 6.32 0.00 -1.42 -3.20 119.26 122.28 3iwk h ALA 168 Ca 0.10 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 3iwk h ALA 168 Cb 0.43 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3iwk h ALA 168 CO 0.02 0.39 0.09 1.15 0.00 0.00 0.00 179.25 180.90 3iwk h THR 169 N 0.50 1.25 -0.29 0.00 2.02 -0.41 0.17 112.91 116.14 3iwk h THR 169 Ca 0.08 -0.97 0.08 0.00 0.77 0.00 0.00 66.41 66.37 3iwk h THR 169 Cb 0.66 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.76 3iwk h THR 169 CO 0.04 0.36 0.33 -0.50 0.37 0.00 0.00 175.52 176.13 3iwk h TRP 170 N 0.90 0.00 0.00 3.16 4.06 -0.32 -1.73 115.95 122.01 3iwk h TRP 170 Ca 0.18 0.00 -0.40 0.00 2.06 0.00 0.00 58.89 60.73 3iwk h TRP 170 Cb 0.40 0.00 -0.06 0.00 -1.00 0.00 0.00 29.16 28.50 3iwk h TRP 170 CO 0.03 0.00 -2.41 1.63 -3.56 0.00 0.00 178.44 174.13 3iwk n LYS 171 N -3.71 0.57 -0.06 0.49 5.02 -0.74 -4.53 118.16 115.20 3iwk n LYS 171 Ca 0.04 0.19 -0.11 0.00 -2.02 0.00 0.00 58.31 56.41 3iwk n LYS 171 Cb 0.48 -1.44 -0.05 0.00 -0.02 0.00 0.00 35.03 33.99 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 -0.51 1.25 0.22 -0.18 2.04 -0.60 -2.64 117.51 117.09 3iwk h ILE 172 Ca -0.60 -0.84 0.00 0.00 1.00 0.00 0.00 64.86 64.42 3iwk h ILE 172 Cb 1.69 1.43 -0.02 0.00 -0.74 0.00 0.00 36.82 39.18 3iwk h ILE 172 CO -0.26 0.26 -0.24 0.00 0.00 0.00 0.00 178.15 177.91 3iwk h ALA 173 N 0.79 -0.48 -0.30 1.87 0.00 -1.55 -0.47 119.26 119.13 3iwk h ALA 173 Ca 0.06 -0.07 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 3iwk h ALA 173 Cb 0.38 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3iwk h ALA 173 CO 0.01 -0.80 -0.23 -1.00 0.00 0.00 0.00 179.25 177.23 3iwk h PRO 174 N -0.50 0.58 -0.01 0.00 0.13 -1.79 -1.61 132.00 128.80 3iwk h PRO 174 Ca -0.00 -0.22 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 3iwk h PRO 174 Cb 0.47 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 31.56 3iwk h PRO 174 CO -0.06 0.77 0.01 0.00 -0.23 0.00 0.00 178.00 178.49 3iwk h ALA 175 N 1.24 0.02 -0.32 -0.56 0.00 -1.21 -0.10 119.26 118.32 3iwk h ALA 175 Ca 0.07 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 3iwk h ALA 175 Cb 0.68 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3iwk h ALA 175 CO 0.05 -0.48 0.08 -0.07 0.00 0.00 0.00 179.25 178.83 3iwk h LEU 176 N 0.02 0.48 -1.67 0.00 3.38 -1.07 -1.58 115.31 114.86 3iwk h LEU 176 Ca 0.01 -0.23 0.09 0.00 0.09 0.00 0.00 57.88 57.84 3iwk h LEU 176 Cb 0.00 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 3iwk h LEU 176 CO -0.00 0.58 0.37 0.00 0.09 0.00 0.00 178.44 179.48 3iwk h ALA 177 N 0.92 2.02 0.00 1.53 0.00 -1.15 -0.93 119.26 121.65 3iwk h ALA 177 Ca 0.10 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3iwk h ALA 177 Cb 0.29 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 3iwk h ALA 177 CO 0.00 -0.14 -0.04 0.00 0.00 0.00 0.00 179.25 179.07 3iwk h ALA 178 N 1.72 0.99 0.00 0.00 0.00 -0.65 -3.43 119.26 117.88 3iwk h ALA 178 Ca 0.25 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3iwk h ALA 178 Cb 0.50 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3iwk h ALA 178 CO -0.07 0.05 0.00 0.41 0.00 0.00 0.00 179.25 179.64 3iwk n GLY 179 N 0.39 1.11 3.88 0.00 0.00 -0.35 -3.85 105.19 106.37 3iwk n GLY 179 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 3iwk n GLY 179 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iwk s ALA 181 N -3.12 3.16 0.06 0.00 0.00 -1.10 -4.45 121.76 116.32 3iwk s ALA 181 Ca 0.54 -0.82 0.08 0.00 0.00 0.00 0.00 51.96 51.76 3iwk s ALA 181 Cb -0.11 -1.49 -0.03 0.00 0.00 0.00 0.00 23.12 21.49 3iwk s ALA 181 CO 0.52 0.45 -0.23 0.00 0.00 0.00 0.00 175.76 176.51 3iwk s ALA 182 N -0.44 1.95 -0.25 0.00 0.00 0.73 -1.44 121.76 122.32 3iwk s ALA 182 Ca 0.08 -1.18 -0.01 0.00 0.00 0.00 0.00 51.96 50.84 3iwk s ALA 182 Cb -0.12 -0.36 0.03 0.00 0.00 0.00 0.00 23.12 22.67 3iwk s ALA 182 CO 0.02 0.44 -0.06 0.42 0.00 0.00 0.00 175.76 176.57 3iwk s ILE 183 N -0.89 2.82 -0.10 0.00 1.09 -0.35 -0.72 121.20 123.06 3iwk s ILE 183 Ca 0.09 -1.06 -0.18 0.00 -1.10 0.00 0.00 60.65 58.40 3iwk s ILE 183 Cb -0.09 -2.44 -0.04 0.00 -1.06 0.00 0.00 42.46 38.82 3iwk s ILE 183 CO 0.03 0.19 0.48 -0.22 -0.10 0.00 0.00 174.94 175.31 3iwk s LEU 184 N 1.31 4.31 -0.46 2.97 2.96 0.82 -1.25 118.68 129.34 3iwk s LEU 184 Ca -0.00 0.86 0.04 0.00 -0.22 0.00 0.00 54.13 54.80 3iwk s LEU 184 Cb -0.17 -2.70 0.12 0.00 0.50 0.00 0.00 46.19 43.95 3iwk s LEU 184 CO -0.05 0.05 0.19 -0.75 -1.32 0.00 0.00 176.35 174.47 3iwk s LYS 185 N 0.36 1.77 0.96 1.98 2.36 0.22 -1.08 119.74 126.30 3iwk s LYS 185 Ca 0.26 -2.34 -0.12 0.00 -2.55 0.00 0.00 55.97 51.22 3iwk s LYS 185 Cb -0.15 -3.20 0.16 0.00 -1.05 0.00 0.00 37.83 33.58 3iwk s LYS 185 CO 0.11 -1.06 1.10 -2.14 1.55 0.00 0.00 175.35 174.91 3iwk s PRO 186 N 0.13 0.78 0.34 4.03 0.02 -1.26 -2.74 135.00 136.30 3iwk s PRO 186 Ca 0.15 0.61 -0.28 0.00 0.02 0.00 0.00 61.00 61.50 3iwk s PRO 186 Cb -0.24 -1.77 -0.10 0.00 0.02 0.00 0.00 34.50 32.41 3iwk s PRO 186 CO -0.03 -2.51 1.25 0.45 -0.33 0.00 0.00 177.00 175.83 3iwk s SER 187 N -3.49 6.78 0.64 2.53 0.15 -1.14 -4.65 113.70 114.52 3iwk s SER 187 Ca 0.64 2.57 0.37 0.00 0.70 0.00 0.00 55.95 60.23 3iwk s SER 187 Cb -0.18 -2.64 2.07 0.00 -1.71 0.00 0.00 66.02 63.56 3iwk s SER 187 CO 0.57 -0.52 2.23 1.05 1.20 0.00 0.00 173.24 177.78 3iwk h GLU 188 N 3.28 0.00 0.00 5.44 9.09 -1.93 -2.36 114.58 128.11 3iwk h GLU 188 Ca -0.49 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.92 3iwk h GLU 188 Cb 1.23 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.33 3iwk h GLU 188 CO 0.65 0.00 -0.66 -0.07 0.05 0.00 0.00 179.01 178.98 3iwk h LEU 189 N 0.00 0.00 -5.56 3.06 3.38 -1.93 -3.42 115.31 110.84 3iwk h LEU 189 Ca 0.01 -0.05 -0.28 0.00 0.09 0.00 0.00 57.88 57.66 3iwk h LEU 189 Cb 0.19 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 40.71 3iwk h LEU 189 CO -0.00 0.02 -0.64 0.00 0.09 0.00 0.00 178.44 177.92 3iwk s ALA 190 N -3.28 -1.04 -0.39 1.53 0.00 -0.89 -4.66 121.76 113.03 3iwk s ALA 190 Ca 0.03 -0.97 0.07 0.00 0.00 0.00 0.00 51.96 51.09 3iwk s ALA 190 Cb 0.09 -2.36 -0.06 0.00 0.00 0.00 0.00 23.12 20.79 3iwk s ALA 190 CO 0.74 -2.16 0.34 0.43 0.00 0.00 0.00 175.76 175.11 3iwk n SER 191 N 3.14 0.45 -0.11 0.00 7.64 -1.21 -4.35 113.62 119.17 3iwk n SER 191 Ca 0.20 -0.72 -0.10 0.00 1.01 0.00 0.00 58.87 59.26 3iwk n SER 191 Cb 0.53 0.91 -0.02 0.00 -1.01 0.00 0.00 64.21 64.62 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 0.14 1.22 -0.13 0.44 -1.51 -1.94 -2.17 116.25 112.30 3iwk h VAL 192 Ca 0.00 -0.75 -0.12 0.00 -1.23 0.00 0.00 66.70 64.60 3iwk h VAL 192 Cb 0.18 1.09 -0.01 0.00 -2.13 0.00 0.00 31.29 30.41 3iwk h VAL 192 CO 0.00 0.25 -0.47 0.71 -1.23 0.00 0.00 177.57 176.83 3iwk h THR 193 N 0.37 1.33 -0.60 7.19 1.35 -1.90 -2.40 112.91 118.25 3iwk h THR 193 Ca 0.10 -1.66 -0.03 0.00 -0.55 0.00 0.00 66.41 64.27 3iwk h THR 193 Cb 0.30 1.75 -0.03 0.00 -1.73 0.00 0.00 68.15 68.44 3iwk h THR 193 CO 0.00 0.50 0.26 0.00 -0.25 0.00 0.00 175.52 176.04 3iwk h LEU 195 N 0.82 0.18 -0.97 0.00 3.38 -1.16 -2.21 115.31 115.34 3iwk h LEU 195 Ca 0.20 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.09 3iwk h LEU 195 Cb 0.16 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 3iwk h LEU 195 CO -0.02 0.31 0.20 -0.33 0.09 0.00 0.00 178.44 178.69 3iwk h GLU 196 N 0.19 0.95 -0.21 1.13 4.39 -0.96 -1.90 114.58 118.16 3iwk h GLU 196 Ca 0.04 -0.18 0.06 0.00 0.34 0.00 0.00 59.36 59.62 3iwk h GLU 196 Cb 0.30 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 3iwk h GLU 196 CO 0.02 0.81 0.15 1.25 -1.16 0.00 0.00 179.01 180.08 3iwk h LEU 197 N 0.92 0.00 -0.52 1.33 5.85 -0.89 -0.51 115.31 121.49 3iwk h LEU 197 Ca 0.21 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.93 3iwk h LEU 197 Cb 0.25 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 3iwk h LEU 197 CO -0.01 0.00 0.33 1.23 -0.34 0.00 0.00 178.44 179.65 3iwk h GLY 198 N 0.00 0.75 1.04 3.75 0.00 -1.26 -0.29 103.07 107.06 3iwk h GLY 198 Ca 0.10 -0.30 -0.05 0.00 0.00 0.00 0.00 47.33 47.08 3iwk h GLY 198 CO -0.00 0.29 0.24 -2.09 0.00 0.00 0.00 176.54 174.98 3iwk h GLU 199 N 0.71 1.11 -0.72 4.80 4.57 -1.10 -2.67 114.58 121.28 3iwk h GLU 199 Ca 0.19 -0.23 -0.04 0.00 -1.18 0.00 0.00 59.36 58.10 3iwk h GLU 199 Cb -0.05 -0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 28.35 3iwk h GLU 199 CO -0.04 0.94 0.28 0.82 -1.18 0.00 0.00 179.01 179.83 3iwk h ILE 200 N 1.05 1.25 -0.26 2.32 2.04 -0.99 -1.01 117.51 121.91 3iwk h ILE 200 Ca 0.23 -0.81 0.01 0.00 1.00 0.00 0.00 64.86 65.30 3iwk h ILE 200 Cb 0.28 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 3iwk h ILE 200 CO -0.01 0.32 0.17 0.00 0.00 0.00 0.00 178.15 178.63 3iwk h LYS 202 N 0.31 0.69 0.00 0.00 3.64 -1.04 0.17 116.57 120.35 3iwk h LYS 202 Ca 0.10 -0.68 -0.08 0.00 -1.27 0.00 0.00 60.65 58.72 3iwk h LYS 202 Cb 0.02 0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 3iwk h LYS 202 CO -0.02 1.27 -0.37 0.93 -2.27 0.00 0.00 179.45 179.00 3iwk h GLU 203 N 0.37 0.00 0.00 1.90 5.08 -0.77 -2.90 114.58 118.26 3iwk h GLU 203 Ca -0.10 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.18 3iwk h GLU 203 Cb 1.55 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.79 3iwk h GLU 203 CO 0.18 0.37 -0.79 0.28 -1.00 0.00 0.00 179.01 178.04 3iwk h VAL 204 N 0.00 0.43 -0.32 3.13 2.07 -1.11 -3.48 116.25 116.96 3iwk h VAL 204 Ca -0.00 -1.69 0.00 0.00 0.82 0.00 0.00 66.70 65.83 3iwk h VAL 204 Cb 0.88 2.04 0.00 0.00 -1.52 0.00 0.00 31.29 32.69 3iwk h VAL 204 CO 0.05 0.24 0.00 0.61 0.02 0.00 0.00 177.57 178.49 3iwk n GLY 205 N 1.24 0.74 3.71 2.17 0.00 -0.86 -5.01 105.19 107.17 3iwk n GLY 205 Ca -0.01 -0.70 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 3iwk n GLY 205 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3iwk n LEU 206 N -0.16 3.99 -4.60 0.99 7.94 -0.01 -4.86 117.00 120.28 3iwk n LEU 206 Ca 0.00 1.05 -0.48 0.00 -1.11 0.00 0.00 56.01 55.46 3iwk n LEU 206 Cb 0.43 -1.57 -0.04 0.00 0.53 0.00 0.00 43.42 42.77 3iwk n LEU 206 CO 0.00 0.17 0.83 -2.65 -1.11 0.00 0.00 177.39 174.63 3iwk n PRO 207 N 4.28 1.38 -1.70 1.96 -0.02 -1.26 -4.79 135.00 134.85 3iwk n PRO 207 Ca 0.16 0.49 -0.44 0.00 -2.02 0.00 0.00 63.50 61.70 3iwk n PRO 207 Cb 0.35 -2.06 -0.02 0.00 -0.02 0.00 0.00 33.50 31.75 3iwk n PRO 207 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 3iwk n ARG 208 N 2.02 2.25 -0.21 -0.52 1.85 -1.26 -2.35 116.66 118.44 3iwk n ARG 208 Ca 0.15 0.80 0.00 0.00 -1.00 0.00 0.00 57.85 57.80 3iwk n ARG 208 Cb 0.25 -2.49 0.00 0.00 -1.05 0.00 0.00 32.46 29.18 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 1.98 1.14 0.19 2.89 0.00 -1.26 -4.64 105.19 105.48 3iwk n GLY 209 Ca 0.10 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.97 3iwk n GLY 209 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3iwk h VAL 210 N 0.00 1.34 -3.23 1.61 2.07 -1.76 -3.30 116.25 112.98 3iwk h VAL 210 Ca 0.00 -2.21 -0.49 0.00 0.82 0.00 0.00 66.70 64.82 3iwk h VAL 210 Cb 0.00 2.22 -0.38 0.00 -1.52 0.00 0.00 31.29 31.61 3iwk h VAL 210 CO 0.00 0.68 -0.79 -0.22 0.02 0.00 0.00 177.57 177.26 3iwk s LEU 211 N -8.04 1.00 -0.04 2.57 2.96 -1.26 -0.19 118.68 115.68 3iwk s LEU 211 Ca -0.08 -0.29 0.06 0.00 -0.22 0.00 0.00 54.13 53.60 3iwk s LEU 211 Cb 0.09 -0.68 -0.02 0.00 0.50 0.00 0.00 46.19 46.08 3iwk s LEU 211 CO 0.88 -0.17 -0.21 0.20 -1.32 0.00 0.00 176.35 175.73 3iwk s ASN 212 N 1.81 3.42 -0.23 3.68 -0.87 0.10 -4.73 114.94 118.12 3iwk s ASN 212 Ca 0.04 -0.38 0.01 0.00 -1.57 0.00 0.00 52.86 50.97 3iwk s ASN 212 Cb -0.13 -0.62 0.04 0.00 -0.02 0.00 0.00 41.25 40.52 3iwk s ASN 212 CO -0.07 0.31 -0.13 -0.63 -2.57 0.00 0.00 177.10 174.01 3iwk s ILE 213 N -0.56 2.30 -0.26 0.60 1.01 0.11 -0.13 121.20 124.27 3iwk s ILE 213 Ca 0.08 -1.25 -0.02 0.00 0.00 0.00 0.00 60.65 59.46 3iwk s ILE 213 Cb -0.11 -2.17 0.03 0.00 0.01 0.00 0.00 42.46 40.21 3iwk s ILE 213 CO 0.00 0.22 -0.05 -0.69 0.00 0.00 0.00 174.94 174.43 3iwk s VAL 214 N 1.22 2.96 0.09 2.92 1.01 -0.25 -1.38 120.40 126.98 3iwk s VAL 214 Ca -0.02 -1.03 0.02 0.00 0.00 0.00 0.00 61.98 60.95 3iwk s VAL 214 Cb -0.17 -2.52 -0.04 0.00 0.00 0.00 0.00 36.38 33.65 3iwk s VAL 214 CO -0.08 0.16 0.20 0.42 0.00 0.00 0.00 175.10 175.81 3iwk s THR 215 N 1.33 5.15 -4.16 3.92 -4.23 -1.26 -3.99 115.64 112.40 3iwk s THR 215 Ca -0.00 -0.59 0.00 0.00 -1.18 0.00 0.00 61.69 59.92 3iwk s THR 215 Cb -0.17 -3.55 0.00 0.00 1.34 0.00 0.00 72.50 70.12 3iwk s THR 215 CO -0.04 0.06 0.00 0.61 -0.54 0.00 0.00 174.62 174.71 3iwk n GLY 216 N 0.05 -1.53 3.78 3.99 0.00 -1.23 -0.53 105.19 109.71 3iwk n GLY 216 Ca -0.06 -1.17 -0.36 0.00 0.00 0.00 0.00 46.02 44.43 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 3.91 0.11 0.99 1.02 -1.26 -4.08 118.68 119.37 3iwk s LEU 217 Ca 0.00 2.13 -0.21 0.00 0.02 0.00 0.00 54.13 56.07 3iwk s LEU 217 Cb 0.00 -4.42 -0.09 0.00 0.02 0.00 0.00 46.19 41.70 3iwk s LEU 217 CO 0.00 -0.91 1.75 1.23 0.02 0.00 0.00 176.35 178.44 3iwk h GLY 218 N 1.74 0.16 1.93 -3.19 0.00 -1.96 0.19 103.07 101.93 3iwk h GLY 218 Ca -0.49 -0.04 0.00 0.00 0.00 0.00 0.00 47.33 46.80 3iwk h GLY 218 CO 0.59 0.03 0.00 -2.39 0.00 0.00 0.00 176.54 174.78 3iwk n HIS 219 N -5.04 0.00 0.00 5.60 1.44 -1.26 -0.84 115.22 115.12 3iwk n HIS 219 Ca -0.05 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.66 3iwk n HIS 219 Cb 0.04 -0.46 0.00 0.00 0.12 0.00 0.00 29.99 29.69 3iwk n HIS 219 CO 0.00 0.00 0.00 -1.91 -2.81 0.00 0.00 176.34 171.62 3iwk n GLU 220 N -1.46 0.00 -0.01 -1.40 2.13 -1.08 -4.48 120.64 114.34 3iwk n GLU 220 Ca 0.05 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.74 3iwk n GLU 220 Cb 0.19 -0.07 -0.08 0.00 0.27 0.00 0.00 31.44 31.75 3iwk n GLU 220 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3iwk h ALA 221 N -1.20 0.04 -0.63 4.31 0.00 -1.07 -1.94 119.26 118.76 3iwk h ALA 221 Ca 0.00 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.75 3iwk h ALA 221 Cb 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 3iwk h ALA 221 CO 0.00 -0.29 0.41 0.78 0.00 0.00 0.00 179.25 180.16 3iwk h GLY 222 N -0.26 0.89 1.30 0.00 0.00 -1.31 -1.25 103.07 102.45 3iwk h GLY 222 Ca 0.01 -0.32 -0.12 0.00 0.00 0.00 0.00 47.33 46.89 3iwk h GLY 222 CO 0.00 0.31 -0.26 0.00 0.00 0.00 0.00 176.54 176.59 3iwk h ALA 223 N 1.24 0.82 -0.36 3.60 0.00 -1.02 -0.22 119.26 123.32 3iwk h ALA 223 Ca 0.24 -0.39 -0.12 0.00 0.00 0.00 0.00 54.91 54.63 3iwk h ALA 223 Cb -0.08 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3iwk h ALA 223 CO -0.06 0.64 -0.26 0.77 0.00 0.00 0.00 179.25 180.34 3iwk h SER 224 N 0.68 0.77 -0.14 0.00 0.02 -1.11 -2.31 113.55 111.46 3iwk h SER 224 Ca 0.09 -0.29 -0.06 0.00 -0.84 0.00 0.00 61.79 60.69 3iwk h SER 224 Cb 0.79 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 63.11 3iwk h SER 224 CO 0.06 0.99 -0.13 0.25 -1.14 0.00 0.00 176.83 176.87 3iwk h LEU 225 N 0.64 0.36 -1.89 5.07 5.85 -1.12 -2.60 115.31 121.62 3iwk h LEU 225 Ca 0.08 -0.47 -0.02 0.00 0.84 0.00 0.00 57.88 58.31 3iwk h LEU 225 Cb 0.78 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.70 3iwk h LEU 225 CO 0.06 0.75 -0.11 0.00 -0.34 0.00 0.00 178.44 178.80 3iwk h ALA 226 N 0.62 1.23 -0.01 1.25 0.00 -1.00 -2.78 119.26 118.56 3iwk h ALA 226 Ca 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3iwk h ALA 226 Cb 0.65 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3iwk h ALA 226 CO 0.03 0.14 -0.60 -1.13 0.00 0.00 0.00 179.25 177.69 3iwk n SER 227 N -3.55 1.78 -4.70 0.00 3.41 -0.87 -4.54 113.62 105.15 3iwk n SER 227 Ca -0.02 -1.39 -0.42 0.00 -0.26 0.00 0.00 58.87 56.78 3iwk n SER 227 Cb 0.25 0.60 -0.03 0.00 -0.26 0.00 0.00 64.21 64.77 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 -2.58 2.59 0.54 7.33 5.04 -0.98 -4.89 115.29 122.33 3iwk s HIS 228 Ca 0.16 0.34 0.38 0.00 -1.54 0.00 0.00 55.06 54.40 3iwk s HIS 228 Cb 0.17 -4.01 2.04 0.00 0.04 0.00 0.00 32.58 30.82 3iwk s HIS 228 CO 0.64 -3.99 2.26 -1.00 -2.34 0.00 0.00 174.74 170.31 3iwk h PRO 229 N 7.81 0.00 -0.02 2.88 0.13 -1.91 -2.84 132.00 138.05 3iwk h PRO 229 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 3iwk h PRO 229 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3iwk h PRO 229 CO 0.93 0.02 -0.12 -0.25 -0.23 0.00 0.00 178.00 178.35 3iwk n ASP 230 N -3.30 2.08 -4.70 1.44 8.00 -1.26 -4.84 116.55 113.96 3iwk n ASP 230 Ca -0.02 -1.60 -0.42 0.00 0.71 0.00 0.00 54.79 53.45 3iwk n ASP 230 Cb 0.13 0.10 -0.03 0.00 -0.02 0.00 0.00 41.12 41.31 3iwk n ASP 230 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3iwk s VAL 231 N -2.16 4.39 -0.09 2.53 1.01 -1.07 -4.68 120.40 120.33 3iwk s VAL 231 Ca 0.29 1.71 0.15 0.00 0.00 0.00 0.00 61.98 64.14 3iwk s VAL 231 Cb 0.20 -4.10 -0.18 0.00 0.00 0.00 0.00 36.38 32.30 3iwk s VAL 231 CO 0.39 0.08 0.71 0.47 0.00 0.00 0.00 175.10 176.75 3iwk n ASP 232 N 4.38 0.80 -3.72 3.32 8.00 0.14 -4.95 116.55 124.52 3iwk n ASP 232 Ca 0.09 0.36 -0.12 0.00 0.71 0.00 0.00 54.79 55.83 3iwk n ASP 232 Cb 0.48 0.16 -0.10 0.00 -0.02 0.00 0.00 41.12 41.64 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 -2.79 0.47 -0.18 -1.24 2.36 -1.07 -4.16 119.74 113.13 3iwk s LYS 233 Ca -0.04 0.66 -0.04 0.00 -2.55 0.00 0.00 55.97 54.00 3iwk s LYS 233 Cb 0.08 0.17 -0.02 0.00 -1.05 0.00 0.00 37.83 37.01 3iwk s LYS 233 CO 0.82 -0.09 -0.04 0.42 1.55 0.00 0.00 175.35 178.01 3iwk s ILE 234 N 0.58 3.63 -0.20 5.43 1.01 -1.03 -0.25 121.20 130.37 3iwk s ILE 234 Ca -0.03 -0.43 -0.02 0.00 0.00 0.00 0.00 60.65 60.17 3iwk s ILE 234 Cb -0.05 -2.61 -0.00 0.00 0.01 0.00 0.00 42.46 39.81 3iwk s ILE 234 CO -0.03 0.46 -0.09 -0.55 0.00 0.00 0.00 174.94 174.73 3iwk s SER 235 N 0.84 3.98 -0.02 3.58 0.15 0.74 -1.60 113.70 121.36 3iwk s SER 235 Ca -0.01 -0.45 0.03 0.00 0.70 0.00 0.00 55.95 56.22 3iwk s SER 235 Cb -0.15 -1.66 -0.00 0.00 -1.71 0.00 0.00 66.02 62.50 3iwk s SER 235 CO 0.02 -0.00 -0.11 0.12 1.20 0.00 0.00 173.24 174.46 3iwk s PHE 236 N 1.35 1.12 -0.08 3.44 5.36 -0.34 -1.25 117.98 127.59 3iwk s PHE 236 Ca 0.04 -0.27 0.01 0.00 -0.96 0.00 0.00 56.93 55.75 3iwk s PHE 236 Cb -0.14 -0.77 0.02 0.00 -0.34 0.00 0.00 43.02 41.79 3iwk s PHE 236 CO -0.05 -0.09 -0.09 0.99 -1.46 0.00 0.00 175.22 174.51 3iwk s THR 237 N 0.05 0.99 -3.24 0.12 2.01 -0.81 -1.97 115.64 112.79 3iwk s THR 237 Ca -0.01 -0.35 0.00 0.00 0.31 0.00 0.00 61.69 61.64 3iwk s THR 237 Cb -0.08 -0.95 0.00 0.00 0.01 0.00 0.00 72.50 71.47 3iwk s THR 237 CO 0.01 0.34 0.00 0.61 -0.69 0.00 0.00 174.62 174.88 3iwk n GLY 238 N 4.23 -0.59 3.82 4.40 0.00 -0.93 -3.73 105.19 112.40 3iwk n GLY 238 Ca -0.20 -0.60 -0.33 0.00 0.00 0.00 0.00 46.02 44.90 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 6.50 0.14 1.61 1.04 -1.26 -4.10 113.70 113.63 3iwk s SER 239 Ca 0.00 1.71 -0.22 0.00 0.48 0.00 0.00 55.95 57.92 3iwk s SER 239 Cb 0.00 -2.53 -0.01 0.00 0.10 0.00 0.00 66.02 63.58 3iwk s SER 239 CO 0.00 -0.67 1.65 0.28 0.98 0.00 0.00 173.24 175.49 3iwk h SER 240 N 1.20 -0.57 -0.70 7.02 0.02 -1.93 0.44 113.55 119.03 3iwk h SER 240 Ca -0.48 0.10 0.02 0.00 -0.84 0.00 0.00 61.79 60.59 3iwk h SER 240 Cb 1.20 0.27 -0.04 0.00 0.14 0.00 0.00 62.40 63.96 3iwk h SER 240 CO 0.60 -0.23 0.45 0.00 -1.14 0.00 0.00 176.83 176.51 3iwk h ALA 241 N 0.81 0.91 -0.29 3.77 0.00 -1.95 -0.39 119.26 122.12 3iwk h ALA 241 Ca 0.10 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 3iwk h ALA 241 Cb 0.37 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3iwk h ALA 241 CO -0.28 0.26 -0.25 1.15 0.00 0.00 0.00 179.25 180.14 3iwk h THR 242 N 0.90 1.30 -0.97 0.00 2.02 -1.90 -2.18 112.91 112.08 3iwk h THR 242 Ca 0.27 -1.40 0.07 0.00 0.77 0.00 0.00 66.41 66.12 3iwk h THR 242 Cb -0.04 1.55 -0.07 0.00 -1.74 0.00 0.00 68.15 67.85 3iwk h THR 242 CO -0.08 0.45 0.63 1.23 0.37 0.00 0.00 175.52 178.11 3iwk h GLY 243 N 0.43 1.47 0.98 2.16 0.00 -0.66 0.57 103.07 108.02 3iwk h GLY 243 Ca 0.05 -0.45 -0.02 0.00 0.00 0.00 0.00 47.33 46.91 3iwk h GLY 243 CO 0.06 0.31 0.28 0.23 0.00 0.00 0.00 176.54 177.42 3iwk h SER 244 N 1.11 0.71 -0.31 0.19 0.87 -0.95 -1.90 113.55 113.28 3iwk h SER 244 Ca 0.42 -0.12 -0.12 0.00 -1.23 0.00 0.00 61.79 60.75 3iwk h SER 244 Cb 0.21 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.97 3iwk h SER 244 CO -0.17 0.63 -0.25 0.11 -0.53 0.00 0.00 176.83 176.62 3iwk h LYS 245 N 0.75 0.80 -0.59 2.24 1.57 -0.64 -1.70 116.57 119.00 3iwk h LYS 245 Ca 0.19 -0.34 -0.06 0.00 -1.87 0.00 0.00 60.65 58.57 3iwk h LYS 245 Cb 0.09 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 3iwk h LYS 245 CO -0.03 0.96 0.13 0.82 -0.57 0.00 0.00 179.45 180.77 3iwk h ILE 246 N 0.69 1.25 -0.10 1.86 2.04 -0.82 -1.80 117.51 120.63 3iwk h ILE 246 Ca 0.09 -0.92 -0.11 0.00 1.00 0.00 0.00 64.86 64.92 3iwk h ILE 246 Cb 0.77 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.56 3iwk h ILE 246 CO 0.06 0.34 -0.44 -0.03 0.00 0.00 0.00 178.15 178.09 3iwk h MET 247 N 0.86 0.24 -0.44 2.37 4.05 -1.19 0.81 114.93 121.63 3iwk h MET 247 Ca 0.18 -0.12 -0.04 0.00 -0.28 0.00 0.00 59.70 59.44 3iwk h MET 247 Cb 0.37 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.15 3iwk h MET 247 CO 0.00 0.64 0.11 1.15 0.23 0.00 0.00 176.91 179.04 3iwk h THR 248 N 0.20 1.23 -0.35 -0.77 2.02 -1.15 -1.38 112.91 112.71 3iwk h THR 248 Ca 0.02 -0.82 -0.11 0.00 0.77 0.00 0.00 66.41 66.26 3iwk h THR 248 Cb 0.85 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 68.18 3iwk h THR 248 CO 0.07 0.29 -0.23 0.74 0.37 0.00 0.00 175.52 176.76 3iwk h THR 249 N 0.59 1.29 -0.63 3.16 2.02 -1.07 -3.04 112.91 115.22 3iwk h THR 249 Ca 0.14 -1.37 -0.00 0.00 0.77 0.00 0.00 66.41 65.95 3iwk h THR 249 Cb 0.32 1.40 -0.03 0.00 -1.74 0.00 0.00 68.15 68.10 3iwk h THR 249 CO 0.00 0.45 0.38 0.00 0.37 0.00 0.00 175.52 176.72 3iwk h ALA 250 N 0.77 1.49 0.00 6.16 0.00 -0.78 -2.34 119.26 124.56 3iwk h ALA 250 Ca 0.07 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3iwk h ALA 250 Cb 0.78 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 3iwk h ALA 250 CO 0.06 0.44 -0.05 0.00 0.00 0.00 0.00 179.25 179.71 3iwk h ALA 251 N 1.56 1.33 -0.50 0.00 0.00 -1.13 0.06 119.26 120.57 3iwk h ALA 251 Ca 0.23 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.11 3iwk h ALA 251 Cb -0.04 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3iwk h ALA 251 CO -0.04 0.06 0.31 1.96 0.00 0.00 0.00 179.25 181.54 3iwk h GLN 252 N 0.00 0.61 -0.19 0.00 1.08 -1.43 -2.80 115.11 112.38 3iwk h GLN 252 Ca -0.00 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.16 3iwk h GLN 252 Cb 0.15 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 27.44 3iwk h GLN 252 CO 0.01 0.40 0.00 1.28 -0.95 0.00 0.00 178.83 179.57 3iwk n LEU 253 N -4.78 3.20 -2.03 1.46 4.77 -1.11 -4.99 117.00 113.52 3iwk n LEU 253 Ca 0.03 -2.80 -0.17 0.00 -0.03 0.00 0.00 56.01 53.04 3iwk n LEU 253 Cb 0.06 -0.43 -0.00 0.00 -2.33 0.00 0.00 43.42 40.72 3iwk n LEU 253 CO 0.33 0.68 -0.18 0.52 -1.33 0.00 0.00 177.39 177.41 3iwk n VAL 254 N -0.59 -0.95 -3.10 4.08 0.31 -0.09 -4.98 118.33 113.01 3iwk n VAL 254 Ca 0.17 0.00 -0.37 0.00 -0.01 0.00 0.00 64.34 64.13 3iwk n VAL 254 Cb 0.71 -2.60 -0.06 0.00 -0.91 0.00 0.00 33.84 30.98 3iwk n VAL 254 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 3iwk s LYS 255 N -4.95 4.31 0.68 5.55 -2.85 -0.63 -4.98 119.74 116.86 3iwk s LYS 255 Ca 0.04 0.90 -0.14 0.00 -1.00 0.00 0.00 55.97 55.78 3iwk s LYS 255 Cb -0.02 -3.01 0.01 0.00 -2.06 0.00 0.00 37.83 32.75 3iwk s LYS 255 CO 0.05 0.47 1.10 -1.25 0.10 0.00 0.00 175.35 175.82 3iwk s PRO 256 N -1.68 2.75 0.02 1.78 0.04 -1.26 -4.56 135.00 132.10 3iwk s PRO 256 Ca 0.39 1.30 -0.02 0.00 0.04 0.00 0.00 61.00 62.71 3iwk s PRO 256 Cb -0.18 -1.95 -0.02 0.00 0.04 0.00 0.00 34.50 32.39 3iwk s PRO 256 CO 0.22 -1.27 0.01 0.54 0.04 0.00 0.00 177.00 176.53 3iwk s VAL 257 N -2.52 0.11 -0.02 -0.36 0.11 -1.26 -2.45 120.40 114.01 3iwk s VAL 257 Ca 0.65 -0.94 0.07 0.00 -2.93 0.00 0.00 61.98 58.82 3iwk s VAL 257 Cb -0.19 -0.40 -0.02 0.00 -1.53 0.00 0.00 36.38 34.24 3iwk s VAL 257 CO 0.45 -0.52 -0.22 -0.94 -3.33 0.00 0.00 175.10 170.54 3iwk s SER 258 N -1.58 2.63 -0.03 3.54 1.04 -0.63 -4.93 113.70 113.74 3iwk s SER 258 Ca -0.14 -0.41 0.01 0.00 0.48 0.00 0.00 55.95 55.89 3iwk s SER 258 Cb -0.08 -0.38 0.02 0.00 0.10 0.00 0.00 66.02 65.68 3iwk s SER 258 CO -0.01 0.26 -0.03 -0.76 0.98 0.00 0.00 173.24 173.68 3iwk s LEU 259 N -0.44 1.39 -0.12 2.42 1.43 -0.84 -1.19 118.68 121.32 3iwk s LEU 259 Ca 0.06 -0.09 0.01 0.00 -1.03 0.00 0.00 54.13 53.08 3iwk s LEU 259 Cb -0.09 -0.36 0.02 0.00 0.03 0.00 0.00 46.19 45.79 3iwk s LEU 259 CO -0.00 -0.05 -0.13 -1.83 0.23 0.00 0.00 176.35 174.57 3iwk s GLU 260 N 0.78 2.07 -0.08 1.70 4.04 -0.83 -1.50 118.70 124.88 3iwk s GLU 260 Ca -0.10 -0.48 0.12 0.00 0.04 0.00 0.00 54.97 54.55 3iwk s GLU 260 Cb -0.13 -1.88 0.18 0.00 0.02 0.00 0.00 34.13 32.33 3iwk s GLU 260 CO -0.00 -0.18 1.10 1.28 -1.84 0.00 0.00 175.26 175.62 3iwk n LEU 261 N 4.58 2.23 0.00 1.83 4.77 0.40 -2.19 117.00 128.62 3iwk n LEU 261 Ca -0.17 -2.69 0.00 0.00 -0.03 0.00 0.00 56.01 53.12 3iwk n LEU 261 Cb 0.50 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 3iwk n LEU 261 CO 0.21 0.63 0.00 0.61 -1.33 0.00 0.00 177.39 177.52 3iwk n GLY 262 N -1.08 -2.01 0.00 -0.72 0.00 -1.26 -4.01 105.19 96.11 3iwk n GLY 262 Ca 0.10 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.72 3iwk n GLY 262 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iwk n GLY 263 N 0.00 0.97 2.27 -0.02 0.00 -1.05 -4.43 105.19 102.94 3iwk n GLY 263 Ca 0.00 -0.62 -0.22 0.00 0.00 0.00 0.00 46.02 45.19 3iwk n GLY 263 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3iwk n LYS 264 N 0.00 0.72 -2.37 1.61 3.00 -1.26 -4.55 118.16 115.31 3iwk n LYS 264 Ca 0.00 -3.01 -0.41 0.00 -0.00 0.00 0.00 58.31 54.89 3iwk n LYS 264 Cb 0.00 -1.25 -0.04 0.00 0.00 0.00 0.00 35.03 33.74 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 -1.27 7.12 0.21 3.14 0.01 -1.14 -4.76 113.70 117.01 3iwk s SER 265 Ca 0.35 2.36 -0.08 0.00 1.31 0.00 0.00 55.95 59.89 3iwk s SER 265 Cb 0.18 -2.63 -0.07 0.00 0.21 0.00 0.00 66.02 63.72 3iwk s SER 265 CO -0.13 -0.27 0.51 -2.16 0.41 0.00 0.00 173.24 171.60 3iwk s PRO 266 N -1.32 3.75 -0.22 12.44 0.04 -1.26 -1.83 135.00 146.60 3iwk s PRO 266 Ca 0.47 0.17 0.01 0.00 0.04 0.00 0.00 61.00 61.69 3iwk s PRO 266 Cb -0.34 -2.70 0.05 0.00 0.04 0.00 0.00 34.50 31.56 3iwk s PRO 266 CO 0.43 0.35 -0.08 -1.50 0.04 0.00 0.00 177.00 176.23 3iwk s ILE 267 N -1.79 1.64 -0.31 0.56 2.07 0.11 -0.57 121.20 122.91 3iwk s ILE 267 Ca 0.46 -1.14 -0.15 0.00 -1.41 0.00 0.00 60.65 58.41 3iwk s ILE 267 Cb -0.11 -1.79 -0.02 0.00 0.13 0.00 0.00 42.46 40.66 3iwk s ILE 267 CO 0.22 0.05 0.37 -0.69 -1.91 0.00 0.00 174.94 172.99 3iwk s VAL 268 N 1.37 5.16 -0.24 4.00 1.01 0.41 -0.78 120.40 131.34 3iwk s VAL 268 Ca -0.04 0.27 -0.06 0.00 0.00 0.00 0.00 61.98 62.15 3iwk s VAL 268 Cb -0.17 -3.77 -0.02 0.00 0.00 0.00 0.00 36.38 32.41 3iwk s VAL 268 CO -0.07 0.01 0.03 -0.69 0.00 0.00 0.00 175.10 174.38 3iwk s VAL 269 N 2.06 4.01 0.69 2.92 1.01 -0.03 -0.75 120.40 130.31 3iwk s VAL 269 Ca 0.13 -0.28 -0.03 0.00 0.00 0.00 0.00 61.98 61.81 3iwk s VAL 269 Cb -0.16 -2.86 0.09 0.00 0.00 0.00 0.00 36.38 33.44 3iwk s VAL 269 CO 0.11 0.37 0.96 -0.36 0.00 0.00 0.00 175.10 176.18 3iwk s PHE 270 N 1.57 2.36 0.07 5.22 0.08 -0.64 -1.43 117.98 125.21 3iwk s PHE 270 Ca 0.06 0.06 0.20 0.00 0.12 0.00 0.00 56.93 57.38 3iwk s PHE 270 Cb -0.15 -3.07 0.65 0.00 -0.57 0.00 0.00 43.02 39.88 3iwk s PHE 270 CO 0.01 -1.45 1.71 1.05 -0.10 0.00 0.00 175.22 176.44 3iwk h GLU 271 N -0.46 0.00 -3.01 0.44 9.09 -1.91 -3.37 114.58 115.36 3iwk h GLU 271 Ca -0.41 0.00 -0.77 0.00 0.05 0.00 0.00 59.36 58.23 3iwk h GLU 271 Cb 1.29 0.00 -0.19 0.00 -1.65 0.00 0.00 28.75 28.20 3iwk h GLU 271 CO 0.50 0.32 1.75 -0.40 0.05 0.00 0.00 179.01 181.23 3iwk n ASP 272 N -3.39 6.39 -4.16 3.06 5.75 -1.26 -4.95 116.55 117.99 3iwk n ASP 272 Ca 0.00 -3.25 -0.10 0.00 -0.01 0.00 0.00 54.79 51.44 3iwk n ASP 272 Cb 0.52 -1.37 -0.10 0.00 -1.03 0.00 0.00 41.12 39.14 3iwk n ASP 272 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 3iwk s VAL 273 N -1.23 0.48 -0.61 2.12 -7.23 -1.26 -1.76 120.40 110.92 3iwk s VAL 273 Ca 0.41 -1.90 -0.28 0.00 -1.81 0.00 0.00 61.98 58.40 3iwk s VAL 273 Cb 0.12 -1.76 0.03 0.00 0.56 0.00 0.00 36.38 35.33 3iwk s VAL 273 CO -0.01 -0.79 1.25 -0.62 -0.31 0.00 0.00 175.10 174.62 3iwk s ASP 274 N -3.03 6.33 0.33 4.85 -1.08 -1.26 -4.91 116.67 117.90 3iwk s ASP 274 Ca 0.14 0.04 0.02 0.00 -0.52 0.00 0.00 52.55 52.23 3iwk s ASP 274 Cb 0.06 -2.55 0.60 0.00 -1.46 0.00 0.00 42.92 39.57 3iwk s ASP 274 CO -0.04 -1.59 1.96 -0.07 0.52 0.00 0.00 175.17 175.94 3iwk h LEU 275 N 12.36 0.80 -0.28 -1.34 4.07 -1.98 -1.68 115.31 127.26 3iwk h LEU 275 Ca -0.26 -0.01 -0.06 0.00 0.08 0.00 0.00 57.88 57.64 3iwk h LEU 275 Cb 1.06 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 42.61 3iwk h LEU 275 CO 1.20 0.54 -0.05 0.44 -1.08 0.00 0.00 178.44 179.49 3iwk h ASP 276 N 0.92 0.54 -0.47 -0.43 3.32 -1.99 -0.52 116.42 117.79 3iwk h ASP 276 Ca 0.32 -0.35 -0.06 0.00 0.02 0.00 0.00 57.03 56.96 3iwk h ASP 276 Cb 0.09 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 3iwk h ASP 276 CO -0.10 0.76 0.08 0.11 -1.72 0.00 0.00 179.24 178.38 3iwk h LYS 277 N 0.30 0.78 0.00 3.56 1.57 -1.86 -2.84 116.57 118.09 3iwk h LYS 277 Ca 0.07 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 3iwk h LYS 277 Cb 0.52 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.74 3iwk h LYS 277 CO 0.02 0.79 0.00 -0.39 -0.57 0.00 0.00 179.45 179.31 3iwk h VAL 278 N 0.65 0.00 -0.76 0.50 -1.51 -1.33 -2.92 116.25 110.88 3iwk h VAL 278 Ca 0.14 -0.90 -0.05 0.00 -1.23 0.00 0.00 66.70 64.66 3iwk h VAL 278 Cb 0.39 1.90 -0.03 0.00 -2.13 0.00 0.00 31.29 31.42 3iwk h VAL 278 CO 0.01 0.00 0.29 0.00 -1.23 0.00 0.00 177.57 176.64 3iwk h ALA 279 N 2.04 0.99 -0.13 5.19 0.00 -0.97 -0.80 119.26 125.59 3iwk h ALA 279 Ca 0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 3iwk h ALA 279 Cb 0.93 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 3iwk h ALA 279 CO 0.00 0.63 -0.02 1.49 0.00 0.00 0.00 179.25 181.35 3iwk h GLU 280 N 1.11 0.25 -0.82 0.00 4.81 -1.33 -2.30 114.58 116.30 3iwk h GLU 280 Ca 0.25 -0.09 0.11 0.00 -0.13 0.00 0.00 59.36 59.51 3iwk h GLU 280 Cb 0.23 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.54 3iwk h GLU 280 CO -0.02 0.53 0.53 -1.49 -0.73 0.00 0.00 179.01 177.83 3iwk h TRP 281 N -0.06 0.77 -0.26 0.92 4.06 -1.46 0.13 115.95 120.05 3iwk h TRP 281 Ca 0.03 0.02 -0.06 0.00 2.06 0.00 0.00 58.89 60.95 3iwk h TRP 281 Cb 0.43 -0.25 -0.01 0.00 -1.00 0.00 0.00 29.16 28.34 3iwk h TRP 281 CO 0.05 0.33 -0.06 1.15 -3.56 0.00 0.00 178.44 176.35 3iwk h THR 282 N 0.69 1.28 -0.01 1.49 2.02 -0.99 0.16 112.91 117.56 3iwk h THR 282 Ca 0.39 -1.07 -0.18 0.00 0.77 0.00 0.00 66.41 66.32 3iwk h THR 282 Cb 0.56 1.45 -0.02 0.00 -1.74 0.00 0.00 68.15 68.40 3iwk h THR 282 CO -0.16 0.34 -0.80 -0.37 0.37 0.00 0.00 175.52 174.90 3iwk h VAL 283 N 0.25 1.51 -0.44 3.16 -1.51 -0.98 -2.65 116.25 115.59 3iwk h VAL 283 Ca 0.07 -2.56 -0.02 0.00 -1.23 0.00 0.00 66.70 62.95 3iwk h VAL 283 Cb 0.53 2.40 -0.02 0.00 -2.13 0.00 0.00 31.29 32.07 3iwk h VAL 283 CO 0.03 0.74 0.21 0.15 -1.23 0.00 0.00 177.57 177.46 3iwk h PHE 284 N 0.06 0.65 -0.21 5.19 3.04 -0.72 0.19 116.94 125.14 3iwk h PHE 284 Ca -0.02 -0.03 0.03 0.00 3.98 0.00 0.00 57.97 61.92 3iwk h PHE 284 Cb 1.40 -0.20 -0.01 0.00 2.56 0.00 0.00 35.95 39.70 3iwk h PHE 284 CO 0.01 0.53 0.14 0.78 -2.02 0.00 0.00 178.31 177.75 3iwk h GLY 285 N 0.57 0.18 0.00 2.40 0.00 -0.39 -2.85 103.07 102.98 3iwk h GLY 285 Ca 0.15 -0.06 -0.09 0.00 0.00 0.00 0.00 47.33 47.33 3iwk h GLY 285 CO -0.02 0.06 -1.56 0.00 0.00 0.00 0.00 176.54 175.02 3iwk n PHE 287 N -2.11 0.00 -1.72 0.00 0.99 0.66 -3.90 117.46 111.37 3iwk n PHE 287 Ca -0.09 0.00 -0.38 0.00 -0.00 0.00 0.00 57.45 56.98 3iwk n PHE 287 Cb 0.55 -0.19 0.05 0.00 -1.00 0.00 0.00 39.48 38.89 3iwk n PHE 287 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 3iwk n PHE 288 N -1.72 2.01 -3.33 1.38 -0.00 -1.08 -1.85 117.46 112.88 3iwk n PHE 288 Ca -0.01 0.43 -0.24 0.00 -0.00 0.00 0.00 57.45 57.63 3iwk n PHE 288 Cb 0.27 -2.30 0.02 0.00 -0.00 0.00 0.00 39.48 37.47 3iwk n PHE 288 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.76 179.17 3iwk n THR 289 N -1.46 -1.66 -2.99 -2.13 -1.04 -1.26 -1.40 114.28 102.34 3iwk n THR 289 Ca 0.13 0.00 -0.20 0.00 -2.04 0.00 0.00 64.05 61.94 3iwk n THR 289 Cb 0.46 -2.75 0.01 0.00 -1.82 0.00 0.00 70.33 66.22 3iwk n THR 289 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3iwk n ASN 290 N -2.51 -4.54 0.00 8.00 3.02 -0.77 -1.41 115.26 117.06 3iwk n ASN 290 Ca -0.04 -0.19 0.00 0.00 -0.03 0.00 0.00 54.58 54.31 3iwk n ASN 290 Cb 0.57 -3.75 0.00 0.00 -0.61 0.00 0.00 39.78 35.99 3iwk n ASN 290 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3iwk n GLY 291 N -1.17 0.57 2.78 7.41 0.00 -0.49 -3.26 105.19 111.02 3iwk n GLY 291 Ca -0.09 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.31 3.35 -4.16 1.61 6.02 -0.50 -3.09 117.38 118.30 3iwk n GLN 292 Ca 0.00 -3.58 -0.34 0.00 -0.01 0.00 0.00 57.00 53.06 3iwk n GLN 292 Cb 0.05 -2.31 -0.11 0.00 1.02 0.00 0.00 30.24 28.88 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 -4.31 4.22 0.26 5.09 1.01 -1.26 -4.82 121.20 121.37 3iwk s ILE 293 Ca 0.50 -0.23 -0.02 0.00 0.00 0.00 0.00 60.65 60.90 3iwk s ILE 293 Cb 0.37 -2.89 0.23 0.00 0.01 0.00 0.00 42.46 40.18 3iwk s ILE 293 CO -0.31 0.46 1.76 0.00 0.00 0.00 0.00 174.94 176.85 3iwk n SER 295 N -4.88 4.95 -4.63 0.00 3.41 -1.26 -2.52 113.62 108.70 3iwk n SER 295 Ca 0.16 -2.72 -0.51 0.00 -0.26 0.00 0.00 58.87 55.54 3iwk n SER 295 Cb 0.40 -0.64 -0.06 0.00 -0.26 0.00 0.00 64.21 63.66 3iwk n SER 295 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3iwk n ALA 296 N 0.65 -0.25 -2.66 7.33 0.00 -0.65 -4.66 120.51 120.27 3iwk n ALA 296 Ca 0.24 0.47 -0.43 0.00 0.00 0.00 0.00 53.44 53.72 3iwk n ALA 296 Cb 1.02 -2.18 -0.00 0.00 0.00 0.00 0.00 19.45 18.29 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 1.15 4.31 -1.96 0.00 -4.23 -0.83 -2.87 115.64 111.21 3iwk s THR 297 Ca 0.85 -1.99 0.25 0.00 -1.18 0.00 0.00 61.69 59.62 3iwk s THR 297 Cb -0.89 -5.12 0.15 0.00 1.34 0.00 0.00 72.50 67.98 3iwk s THR 297 CO 0.47 -1.93 1.35 -1.54 -0.54 0.00 0.00 174.62 172.43 3iwk n SER 298 N 7.83 1.57 -4.14 3.99 3.41 -0.76 -4.27 113.62 121.24 3iwk n SER 298 Ca 0.45 -1.24 -0.34 0.00 -0.26 0.00 0.00 58.87 57.48 3iwk n SER 298 Cb 0.46 0.28 -0.14 0.00 -0.26 0.00 0.00 64.21 64.55 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 -0.04 4.33 0.52 -1.07 -1.35 118.95 121.22 3iwk s ARG 299 Ca 0.22 -1.34 -0.24 0.00 -0.52 0.00 0.00 55.73 53.85 3iwk s ARG 299 Cb 0.19 -3.14 -0.04 0.00 0.52 0.00 0.00 34.95 32.47 3iwk s ARG 299 CO 0.53 -0.65 0.71 -1.17 0.02 0.00 0.00 175.30 174.74 3iwk s LEU 300 N 1.20 4.35 -0.36 2.53 0.20 0.13 -0.71 118.68 126.01 3iwk s LEU 300 Ca -0.05 1.25 0.02 0.00 0.69 0.00 0.00 54.13 56.04 3iwk s LEU 300 Cb -0.20 -3.12 0.11 0.00 -0.43 0.00 0.00 46.19 42.56 3iwk s LEU 300 CO -0.02 -0.09 0.13 -0.63 -0.29 0.00 0.00 176.35 175.45 3iwk s ILE 301 N 0.60 1.51 -0.06 6.68 1.01 0.04 -0.92 121.20 130.06 3iwk s ILE 301 Ca 0.38 -2.07 -0.02 0.00 0.00 0.00 0.00 60.65 58.94 3iwk s ILE 301 Cb -0.18 -2.10 -0.04 0.00 0.01 0.00 0.00 42.46 40.15 3iwk s ILE 301 CO 0.19 -0.72 0.06 -0.69 0.00 0.00 0.00 174.94 173.79 3iwk s VAL 302 N 0.99 4.71 0.19 2.92 1.01 -0.62 -0.85 120.40 128.75 3iwk s VAL 302 Ca 0.12 -0.21 -0.31 0.00 0.00 0.00 0.00 61.98 61.58 3iwk s VAL 302 Cb -0.20 -3.06 -0.10 0.00 0.00 0.00 0.00 36.38 33.02 3iwk s VAL 302 CO -0.13 0.52 1.55 -2.28 0.00 0.00 0.00 175.10 174.76 3iwk s HIS 303 N -1.03 3.03 0.60 5.22 2.46 -0.52 -1.12 115.29 123.93 3iwk s HIS 303 Ca 0.17 0.72 0.31 0.00 0.47 0.00 0.00 55.06 56.73 3iwk s HIS 303 Cb -0.12 -3.92 1.86 0.00 -0.13 0.00 0.00 32.58 30.27 3iwk s HIS 303 CO 0.07 -3.29 2.24 1.05 -2.47 0.00 0.00 174.74 172.34 3iwk h GLU 304 N 6.26 0.00 0.00 2.88 4.11 -1.17 -2.23 114.58 124.44 3iwk h GLU 304 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.99 3iwk h GLU 304 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 3iwk h GLU 304 CO 0.88 0.00 0.00 -1.13 0.07 0.00 0.00 179.01 178.83 3iwk n SER 305 N -3.76 0.00 0.00 3.06 3.41 -1.26 -2.82 113.62 112.25 3iwk n SER 305 Ca -0.02 0.45 0.00 0.00 -0.26 0.00 0.00 58.87 59.04 3iwk n SER 305 Cb 0.12 -0.48 0.00 0.00 -0.26 0.00 0.00 64.21 63.59 3iwk n SER 305 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3iwk n ILE 306 N -1.48 0.00 -0.13 -1.33 -5.35 -0.87 -4.88 119.36 105.31 3iwk n ILE 306 Ca 0.06 -0.46 -0.04 0.00 -0.27 0.00 0.00 62.75 62.04 3iwk n ILE 306 Cb 0.27 1.05 0.04 0.00 -1.74 0.00 0.00 39.64 39.26 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 0.39 -0.22 -1.28 0.00 -1.30 0.52 119.26 117.37 3iwk h ALA 307 Ca 0.00 0.13 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 3iwk h ALA 307 Cb 0.03 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3iwk h ALA 307 CO 0.00 -0.40 -0.04 -0.24 0.00 0.00 0.00 179.25 178.57 3iwk h VAL 308 N 0.10 1.28 -0.01 0.00 3.04 -1.90 -0.13 116.25 118.62 3iwk h VAL 308 Ca 0.22 -1.01 -0.16 0.00 -1.01 0.00 0.00 66.70 64.74 3iwk h VAL 308 Cb 0.32 1.49 -0.02 0.00 -2.01 0.00 0.00 31.29 31.07 3iwk h VAL 308 CO -0.37 0.31 -0.72 1.05 -1.01 0.00 0.00 177.57 176.83 3iwk h GLU 309 N 0.16 0.06 -0.21 4.17 4.11 -1.89 -2.17 114.58 118.80 3iwk h GLU 309 Ca 0.06 -0.05 -0.07 0.00 0.07 0.00 0.00 59.36 59.36 3iwk h GLU 309 Cb 0.48 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 3iwk h GLU 309 CO 0.02 0.75 -0.15 0.35 0.07 0.00 0.00 179.01 180.05 3iwk h PHE 310 N 0.04 0.56 -0.33 2.06 3.57 -0.82 -1.93 116.94 120.09 3iwk h PHE 310 Ca -0.01 -0.15 -0.08 0.00 3.53 0.00 0.00 57.97 61.25 3iwk h PHE 310 Cb 1.27 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.87 3iwk h PHE 310 CO 0.01 0.79 -0.14 0.28 -2.23 0.00 0.00 178.31 177.01 3iwk h VAL 311 N 0.17 1.25 -0.54 1.41 2.07 -1.04 -0.21 116.25 119.36 3iwk h VAL 311 Ca 0.04 -1.11 -0.01 0.00 0.82 0.00 0.00 66.70 66.44 3iwk h VAL 311 Cb 0.67 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 3iwk h VAL 311 CO 0.04 0.37 0.29 -0.78 0.02 0.00 0.00 177.57 177.51 3iwk h ASP 312 N 0.53 0.67 -0.34 0.57 3.58 -1.35 -0.40 116.42 119.68 3iwk h ASP 312 Ca 0.09 -0.09 -0.08 0.00 0.42 0.00 0.00 57.03 57.37 3iwk h ASP 312 Cb 0.56 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.42 3iwk h ASP 312 CO 0.04 0.57 -0.04 0.11 -2.88 0.00 0.00 179.24 177.03 3iwk h LYS 313 N 0.72 0.73 -0.53 0.28 1.57 -1.09 -2.49 116.57 115.76 3iwk h LYS 313 Ca 0.19 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 3iwk h LYS 313 Cb 0.05 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 3iwk h LYS 313 CO -0.03 0.78 0.29 1.25 -0.57 0.00 0.00 179.45 181.16 3iwk h LEU 314 N 0.68 0.67 -0.62 2.94 5.85 -0.58 -0.93 115.31 123.32 3iwk h LEU 314 Ca 0.13 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 3iwk h LEU 314 Cb 0.48 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 3iwk h LEU 314 CO 0.02 0.57 0.37 0.58 -0.34 0.00 0.00 178.44 179.64 3iwk h VAL 315 N 0.71 1.19 -0.22 1.05 2.07 -0.98 -1.09 116.25 118.97 3iwk h VAL 315 Ca 0.19 -0.43 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 3iwk h VAL 315 Cb 0.05 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.16 3iwk h VAL 315 CO -0.03 0.19 0.12 0.11 0.02 0.00 0.00 177.57 177.99 3iwk h LYS 316 N 0.84 0.31 -0.68 1.57 1.57 -1.12 -0.35 116.57 118.71 3iwk h LYS 316 Ca 0.22 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.95 3iwk h LYS 316 Cb -0.01 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.21 3iwk h LYS 316 CO -0.04 0.28 0.35 -1.49 -0.57 0.00 0.00 179.45 177.99 3iwk h TRP 317 N 0.26 0.95 -0.46 -1.35 4.06 -1.06 -2.28 115.95 116.06 3iwk h TRP 317 Ca 0.08 -0.03 -0.00 0.00 2.06 0.00 0.00 58.89 60.99 3iwk h TRP 317 Cb 0.06 -0.30 -0.02 0.00 -1.00 0.00 0.00 29.16 27.90 3iwk h TRP 317 CO -0.04 0.69 0.28 0.00 -3.56 0.00 0.00 178.44 175.81 3iwk h ALA 318 N 1.17 0.59 0.00 1.49 0.00 -0.90 -2.69 119.26 118.92 3iwk h ALA 318 Ca 0.24 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3iwk h ALA 318 Cb 0.07 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3iwk h ALA 318 CO -0.03 0.08 0.00 0.93 0.00 0.00 0.00 179.25 180.22 3iwk h GLU 319 N 0.61 0.00 -0.01 0.00 5.08 -0.96 -2.84 114.58 116.47 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 -0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3iwk h GLU 319 CO -0.03 0.00 -0.05 -1.71 -1.00 0.00 0.00 179.01 176.22 3iwk n ASN 320 N -2.87 0.63 -4.69 1.42 5.15 -0.87 -4.87 115.26 109.17 3iwk n ASN 320 Ca 0.02 -0.96 -0.42 0.00 -0.60 0.00 0.00 54.58 52.62 3iwk n ASN 320 Cb 0.38 -0.03 -0.03 0.00 -0.53 0.00 0.00 39.78 39.58 3iwk n ASN 320 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3iwk s ILE 321 N -2.20 4.29 -0.17 -1.44 1.01 -1.07 -4.99 121.20 116.63 3iwk s ILE 321 Ca 0.37 1.61 -0.29 0.00 0.00 0.00 0.00 60.65 62.34 3iwk s ILE 321 Cb 0.21 -4.04 -0.02 0.00 0.01 0.00 0.00 42.46 38.62 3iwk s ILE 321 CO 0.41 -0.01 1.44 -0.75 0.00 0.00 0.00 174.94 176.03 3iwk s LYS 322 N 2.30 4.08 -0.29 2.79 2.20 -1.26 -4.94 119.74 124.62 3iwk s LYS 322 Ca 0.55 1.73 -0.08 0.00 -0.36 0.00 0.00 55.97 57.81 3iwk s LYS 322 Cb -0.24 -3.89 -0.01 0.00 -1.51 0.00 0.00 37.83 32.18 3iwk s LYS 322 CO 0.21 -0.93 0.11 0.42 -0.36 0.00 0.00 175.35 174.81 3iwk s ILE 323 N 4.13 4.39 0.30 5.43 1.01 -1.26 -1.76 121.20 133.44 3iwk s ILE 323 Ca 0.63 -0.41 -0.10 0.00 0.00 0.00 0.00 60.65 60.77 3iwk s ILE 323 Cb -0.25 -3.19 0.04 0.00 0.01 0.00 0.00 42.46 39.07 3iwk s ILE 323 CO 0.23 0.14 0.58 -1.54 0.00 0.00 0.00 174.94 174.35 3iwk n SER 324 N 4.94 -1.69 -4.70 3.58 3.41 -1.08 -5.02 113.62 113.05 3iwk n SER 324 Ca -0.15 -2.26 -0.43 0.00 -0.26 0.00 0.00 58.87 55.77 3iwk n SER 324 Cb 0.49 2.84 -0.02 0.00 -0.26 0.00 0.00 64.21 67.26 3iwk n SER 324 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3iwk n ASP 325 N -1.45 3.20 -0.24 4.04 2.03 -1.26 -4.41 116.55 118.46 3iwk n ASP 325 Ca -0.06 1.15 0.18 0.00 0.52 0.00 0.00 54.79 56.57 3iwk n ASP 325 Cb 0.46 -1.50 0.49 0.00 -0.72 0.00 0.00 41.12 39.85 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 4.39 0.44 0.00 -0.67 0.11 -1.87 -1.52 132.00 132.87 3iwk h PRO 326 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3iwk h PRO 326 Cb 1.26 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3iwk h PRO 326 CO 0.77 0.29 -0.11 1.28 -0.21 0.00 0.00 178.00 180.02 3iwk n LEU 327 N -4.52 0.17 -4.77 2.35 4.77 -1.26 -1.72 117.00 112.01 3iwk n LEU 327 Ca 0.18 0.41 -0.38 0.00 -0.03 0.00 0.00 56.01 56.19 3iwk n LEU 327 Cb 0.64 -0.43 -0.06 0.00 -2.33 0.00 0.00 43.42 41.24 3iwk n LEU 327 CO 0.30 0.01 0.68 -0.70 -1.33 0.00 0.00 177.39 176.35 3iwk s GLU 328 N -3.01 4.55 0.22 3.23 2.12 -0.58 -4.96 118.70 120.27 3iwk s GLU 328 Ca 0.13 1.43 -0.31 0.00 0.36 0.00 0.00 54.97 56.58 3iwk s GLU 328 Cb 0.18 -2.86 -0.11 0.00 0.26 0.00 0.00 34.13 31.60 3iwk s GLU 328 CO 0.57 0.23 1.63 -2.00 -0.54 0.00 0.00 175.26 175.15 3iwk s GLU 329 N -1.95 4.16 0.00 4.30 2.12 -1.26 -2.34 118.70 123.73 3iwk s GLU 329 Ca 0.50 2.51 0.00 0.00 0.36 0.00 0.00 54.97 58.34 3iwk s GLU 329 Cb -0.22 -3.09 0.00 0.00 0.26 0.00 0.00 34.13 31.09 3iwk s GLU 329 CO 0.27 -0.66 0.00 0.41 -0.54 0.00 0.00 175.26 174.74 3iwk n GLY 330 N 3.40 0.73 3.69 -1.50 0.00 -1.26 -5.02 105.19 105.23 3iwk n GLY 330 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 3iwk n GLY 330 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iwk n ARG 332 N 5.82 1.81 -3.66 0.00 5.12 -0.72 -4.77 116.66 120.26 3iwk n ARG 332 Ca 0.17 -0.30 -0.08 0.00 -1.93 0.00 0.00 57.85 55.71 3iwk n ARG 332 Cb 0.39 -0.79 -0.09 0.00 -1.16 0.00 0.00 32.46 30.81 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 -0.69 -0.60 0.00 0.55 2.96 -0.87 -4.89 118.68 115.14 3iwk s LEU 333 Ca 0.00 1.25 0.00 0.00 -0.22 0.00 0.00 54.13 55.16 3iwk s LEU 333 Cb 0.00 1.94 0.00 0.00 0.50 0.00 0.00 46.19 48.63 3iwk s LEU 333 CO 0.00 -0.22 0.02 0.61 -1.32 0.00 0.00 176.35 175.43 3iwk n GLY 334 N 4.36 3.04 3.83 7.98 0.00 -1.26 -2.64 105.19 120.50 3iwk n GLY 334 Ca -0.21 -2.17 -0.32 0.00 0.00 0.00 0.00 46.02 43.32 3iwk n GLY 334 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3iwk s PRO 335 N -2.08 3.50 0.72 1.61 0.04 -1.25 -4.77 135.00 132.77 3iwk s PRO 335 Ca 0.01 0.97 -0.16 0.00 0.04 0.00 0.00 61.00 61.86 3iwk s PRO 335 Cb -0.00 -2.07 0.03 0.00 0.04 0.00 0.00 34.50 32.50 3iwk s PRO 335 CO 0.01 -0.65 1.24 0.42 0.04 0.00 0.00 177.00 178.06 3iwk s ILE 336 N -2.81 2.14 0.29 0.56 -1.09 0.19 -4.70 121.20 115.77 3iwk s ILE 336 Ca 0.59 0.07 -0.01 0.00 -2.23 0.00 0.00 60.65 59.07 3iwk s ILE 336 Cb -0.12 -2.76 0.16 0.00 -1.58 0.00 0.00 42.46 38.16 3iwk s ILE 336 CO 0.43 -0.03 1.84 1.62 -1.23 0.00 0.00 174.94 177.57 3iwk h VAL 337 N -0.12 1.22 -3.87 2.92 3.04 -1.89 -3.42 116.25 114.13 3iwk h VAL 337 Ca -0.49 -0.78 -0.10 0.00 -1.01 0.00 0.00 66.70 64.33 3iwk h VAL 337 Cb 1.31 0.65 -0.13 0.00 -2.01 0.00 0.00 31.29 31.11 3iwk h VAL 337 CO 0.50 0.29 -0.36 -0.94 -1.01 0.00 0.00 177.57 176.05 3iwk s SER 338 N -6.58 0.09 0.17 3.17 1.04 -1.26 -4.55 113.70 105.78 3iwk s SER 338 Ca -0.10 -0.78 -0.15 0.00 0.48 0.00 0.00 55.95 55.41 3iwk s SER 338 Cb 0.16 0.38 0.09 0.00 0.10 0.00 0.00 66.02 66.74 3iwk s SER 338 CO 0.80 -0.80 1.78 -0.08 0.98 0.00 0.00 173.24 175.92 3iwk h GLU 339 N 2.66 0.44 -0.81 4.02 4.81 -1.98 0.86 114.58 124.58 3iwk h GLU 339 Ca -0.33 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 58.86 3iwk h GLU 339 Cb 1.21 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 30.45 3iwk h GLU 339 CO 0.53 0.29 0.46 0.00 -0.73 0.00 0.00 179.01 179.56 3iwk h ALA 340 N 1.23 1.28 -0.06 2.92 0.00 -2.00 -1.51 119.26 121.12 3iwk h ALA 340 Ca 0.19 -0.11 -0.21 0.00 0.00 0.00 0.00 54.91 54.77 3iwk h ALA 340 Cb 0.09 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.55 3iwk h ALA 340 CO -0.13 0.59 -0.84 1.96 0.00 0.00 0.00 179.25 180.84 3iwk h GLN 341 N 1.13 0.51 -0.94 0.00 1.08 -1.91 -2.72 115.11 112.26 3iwk h GLN 341 Ca 0.29 -0.47 0.09 0.00 -1.45 0.00 0.00 58.65 57.10 3iwk h GLN 341 Cb 0.00 0.11 -0.07 0.00 -0.05 0.00 0.00 27.48 27.47 3iwk h GLN 341 CO -0.05 1.11 0.58 -0.92 -0.95 0.00 0.00 178.83 178.60 3iwk h TYR 342 N 0.33 1.07 0.03 2.96 3.20 -0.37 -2.04 116.97 122.14 3iwk h TYR 342 Ca -0.06 0.03 -0.22 0.00 3.14 0.00 0.00 58.73 61.62 3iwk h TYR 342 Cb 1.45 -0.34 -0.00 0.00 1.54 0.00 0.00 36.73 39.38 3iwk h TYR 342 CO 0.06 0.49 -0.97 0.87 -1.64 0.00 0.00 178.16 176.97 3iwk h LYS 343 N 1.00 0.27 -0.46 1.82 1.57 -1.26 -2.77 116.57 116.74 3iwk h LYS 343 Ca 0.43 -0.33 -0.04 0.00 -1.87 0.00 0.00 60.65 58.85 3iwk h LYS 343 Cb 0.30 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 3iwk h LYS 343 CO -0.22 1.06 0.15 0.87 -0.57 0.00 0.00 179.45 180.74 3iwk h LYS 344 N 0.14 0.72 -0.26 3.15 1.57 -1.21 0.73 116.57 121.41 3iwk h LYS 344 Ca -0.07 -0.15 0.02 0.00 -1.87 0.00 0.00 60.65 58.58 3iwk h LYS 344 Cb 1.63 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.81 3iwk h LYS 344 CO 0.16 0.69 0.11 0.28 -0.57 0.00 0.00 179.45 180.11 3iwk h VAL 345 N 0.61 0.96 -0.17 0.50 2.07 -1.39 -1.37 116.25 117.47 3iwk h VAL 345 Ca 0.15 -0.08 -0.09 0.00 0.82 0.00 0.00 66.70 67.50 3iwk h VAL 345 Cb 0.26 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 3iwk h VAL 345 CO -0.01 0.04 -0.29 -0.07 0.02 0.00 0.00 177.57 177.26 3iwk h LEU 346 N 0.23 0.33 -1.10 2.57 3.38 -1.32 -1.93 115.31 117.49 3iwk h LEU 346 Ca 0.11 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 3iwk h LEU 346 Cb 0.06 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 3iwk h LEU 346 CO -0.10 0.62 -0.04 0.78 0.09 0.00 0.00 178.44 179.80 3iwk h ASN 347 N 0.29 0.57 -0.37 -0.43 2.35 -0.51 0.20 115.58 117.69 3iwk h ASN 347 Ca 0.04 -0.13 -0.04 0.00 -0.55 0.00 0.00 56.30 55.62 3iwk h ASN 347 Cb 0.67 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.88 3iwk h ASN 347 CO 0.05 0.66 0.06 0.00 -1.65 0.00 0.00 177.43 176.55 3iwk h ILE 349 N 0.45 0.65 -0.60 0.00 2.04 -1.05 -1.47 117.51 117.52 3iwk h ILE 349 Ca 0.11 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.09 3iwk h ILE 349 Cb 0.36 0.65 -0.09 0.00 -0.74 0.00 0.00 36.82 37.01 3iwk h ILE 349 CO 0.01 0.00 0.09 -1.28 0.00 0.00 0.00 178.15 176.97 3iwk h SER 350 N -0.46 -0.08 0.43 1.72 0.87 -0.59 -2.20 113.55 113.24 3iwk h SER 350 Ca -0.04 0.12 -0.09 0.00 -1.23 0.00 0.00 61.79 60.56 3iwk h SER 350 Cb 0.36 0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.50 3iwk h SER 350 CO 0.07 -0.03 -0.41 0.28 -0.53 0.00 0.00 176.83 176.20 3iwk h SER 351 N 0.21 0.00 -0.76 6.23 0.02 -0.86 -2.18 113.55 116.22 3iwk h SER 351 Ca 0.32 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.23 3iwk h SER 351 Cb 0.49 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.00 3iwk h SER 351 CO -0.44 0.41 0.32 0.00 -1.14 0.00 0.00 176.83 175.98 3iwk h ALA 352 N 1.59 0.98 -0.60 3.77 0.00 -0.65 -2.35 119.26 121.99 3iwk h ALA 352 Ca -0.00 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 3iwk h ALA 352 Cb 0.74 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 3iwk h ALA 352 CO 0.05 0.59 0.25 0.87 0.00 0.00 0.00 179.25 181.01 3iwk h LYS 353 N 1.08 0.89 0.00 0.00 1.57 -1.09 -0.67 116.57 118.35 3iwk h LYS 353 Ca 0.25 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3iwk h LYS 353 Cb 0.19 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.35 3iwk h LYS 353 CO -0.02 0.75 0.00 0.77 -0.57 0.00 0.00 179.45 180.38 3iwk h SER 354 N 0.83 0.00 -0.03 0.86 0.02 -1.20 -2.66 113.55 111.37 3iwk h SER 354 Ca 0.20 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.15 3iwk h SER 354 Cb 0.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.73 3iwk h SER 354 CO -0.02 0.00 -0.10 -0.62 -1.14 0.00 0.00 176.83 174.95 3iwk n GLU 355 N -3.01 2.06 0.00 3.45 1.02 -0.90 -4.97 120.64 118.29 3iwk n GLU 355 Ca 0.01 -1.72 0.00 0.00 -0.02 0.00 0.00 57.16 55.44 3iwk n GLU 355 Cb 0.32 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 30.29 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 1.34 1.01 3.87 0.62 0.00 -1.00 -5.03 105.19 106.00 3iwk n GLY 356 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 3iwk n GLY 356 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iwk s ALA 357 N -2.00 3.15 -0.20 4.61 0.00 -0.28 -4.96 121.76 122.08 3iwk s ALA 357 Ca 0.00 -0.09 -0.07 0.00 0.00 0.00 0.00 51.96 51.80 3iwk s ALA 357 Cb 0.00 -2.99 -0.03 0.00 0.00 0.00 0.00 23.12 20.09 3iwk s ALA 357 CO 0.00 -0.48 0.05 0.99 0.00 0.00 0.00 175.76 176.32 3iwk s THR 358 N -2.92 4.50 -0.38 0.00 2.01 -0.33 -4.41 115.64 114.11 3iwk s THR 358 Ca 0.55 -0.13 -0.25 0.00 0.31 0.00 0.00 61.69 62.16 3iwk s THR 358 Cb -0.11 -3.05 0.02 0.00 0.01 0.00 0.00 72.50 69.37 3iwk s THR 358 CO 0.45 0.42 0.90 -0.63 -0.69 0.00 0.00 174.62 175.08 3iwk s ILE 359 N 0.79 4.59 -0.05 1.82 -1.09 -1.26 -0.46 121.20 125.55 3iwk s ILE 359 Ca 0.03 1.09 0.13 0.00 -2.23 0.00 0.00 60.65 59.67 3iwk s ILE 359 Cb -0.14 -4.33 -0.17 0.00 -1.58 0.00 0.00 42.46 36.24 3iwk s ILE 359 CO 0.02 -0.56 0.90 -0.07 -1.23 0.00 0.00 174.94 174.00 3iwk h LEU 360 N 10.08 0.00 -7.11 2.97 3.38 -1.51 -3.48 115.31 119.64 3iwk h LEU 360 Ca -0.23 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.68 3iwk h LEU 360 Cb 1.08 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.66 3iwk h LEU 360 CO 0.98 0.83 0.10 0.28 0.09 0.00 0.00 178.44 180.72 3iwk s THR 361 N -2.75 0.02 0.00 0.22 -1.32 -1.23 -4.98 115.64 105.60 3iwk s THR 361 Ca -0.02 -0.13 0.00 0.00 -1.21 0.00 0.00 61.69 60.33 3iwk s THR 361 Cb 0.09 -0.97 0.00 0.00 -1.51 0.00 0.00 72.50 70.11 3iwk s THR 361 CO 0.81 -0.07 0.00 0.61 -2.21 0.00 0.00 174.62 173.76 3iwk n GLY 362 N 0.52 2.96 1.50 6.08 0.00 -1.23 -3.06 105.19 111.95 3iwk n GLY 362 Ca -0.19 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 0.56 3.83 -0.02 0.00 -1.26 -4.97 105.19 103.33 3iwk n GLY 363 Ca 0.00 -0.59 -0.06 0.00 0.00 0.00 0.00 46.02 45.36 3iwk n GLY 363 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3iwk s ARG 364 N -1.15 1.74 0.18 1.61 3.03 -1.26 -4.97 118.95 118.12 3iwk s ARG 364 Ca 0.00 -1.01 -0.30 0.00 2.03 0.00 0.00 55.73 56.45 3iwk s ARG 364 Cb 0.00 0.56 -0.08 0.00 -1.03 0.00 0.00 34.95 34.40 3iwk s ARG 364 CO 0.00 -0.80 1.19 0.50 -1.13 0.00 0.00 175.30 175.06 3iwk s ARG 365 N -3.40 4.49 0.35 3.89 3.52 -1.26 -1.11 118.95 125.43 3iwk s ARG 365 Ca 0.13 1.86 -0.28 0.00 -0.13 0.00 0.00 55.73 57.31 3iwk s ARG 365 Cb -0.05 -3.25 -0.12 0.00 -1.56 0.00 0.00 34.95 29.98 3iwk s ARG 365 CO 0.07 -0.09 1.38 -2.30 -0.81 0.00 0.00 175.30 173.54 3iwk n PRO 366 N 2.60 2.34 -0.07 5.12 -0.02 -1.26 -4.89 135.00 138.81 3iwk n PRO 366 Ca 0.05 0.82 0.03 0.00 -2.02 0.00 0.00 63.50 62.38 3iwk n PRO 366 Cb 0.45 -2.47 0.37 0.00 -0.02 0.00 0.00 33.50 31.83 3iwk n PRO 366 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3iwk h GLU 367 N 2.82 0.68 0.00 -0.52 4.22 -2.00 -2.59 114.58 117.19 3iwk h GLU 367 Ca -0.48 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 58.92 3iwk h GLU 367 Cb 1.27 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.36 3iwk h GLU 367 CO 0.64 0.46 0.00 -2.39 -2.18 0.00 0.00 179.01 175.54 3iwk n HIS 368 N -4.45 0.28 -3.76 0.92 1.44 -1.26 -4.50 115.22 103.89 3iwk n HIS 368 Ca 0.05 0.09 -0.36 0.00 -2.01 0.00 0.00 57.72 55.49 3iwk n HIS 368 Cb 0.05 -0.65 -0.11 0.00 0.12 0.00 0.00 29.99 29.40 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 -3.49 5.27 0.10 2.39 1.02 -0.98 -4.94 118.68 118.05 3iwk s LEU 369 Ca 0.10 -2.18 0.01 0.00 0.02 0.00 0.00 54.13 52.08 3iwk s LEU 369 Cb 0.14 -1.84 -0.23 0.00 0.02 0.00 0.00 46.19 44.27 3iwk s LEU 369 CO 0.44 -0.52 1.22 0.11 0.02 0.00 0.00 176.35 177.62 3iwk h LYS 370 N 7.88 0.15 -6.48 1.70 1.79 -1.81 -3.43 116.57 116.36 3iwk h LYS 370 Ca -0.11 -0.25 -0.63 0.00 -2.18 0.00 0.00 60.65 57.48 3iwk h LYS 370 Cb 1.03 0.09 -0.15 0.00 -1.58 0.00 0.00 32.23 31.62 3iwk h LYS 370 CO 0.71 1.11 -0.75 0.15 -1.08 0.00 0.00 179.45 179.59 3iwk s LYS 371 N -2.71 1.92 0.00 3.15 1.02 -1.26 -5.08 119.74 116.77 3iwk s LYS 371 Ca -0.02 -1.35 0.00 0.00 0.02 0.00 0.00 55.97 54.62 3iwk s LYS 371 Cb 0.09 -2.07 0.00 0.00 -0.52 0.00 0.00 37.83 35.33 3iwk s LYS 371 CO 0.85 0.42 0.00 0.41 -0.92 0.00 0.00 175.35 176.11 3iwk n GLY 372 N 0.06 2.31 2.54 -3.33 0.00 -1.23 -4.79 105.19 100.76 3iwk n GLY 372 Ca -0.11 -1.92 -0.34 0.00 0.00 0.00 0.00 46.02 43.65 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 1.51 2.17 -3.17 1.61 0.53 -0.34 -4.96 117.16 114.51 3iwk n TYR 373 Ca 0.00 -2.32 -0.39 0.00 -1.02 0.00 0.00 57.90 54.17 3iwk n TYR 373 Cb 0.00 -1.49 -0.05 0.00 -1.03 0.00 0.00 39.34 36.76 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 -2.01 3.61 -0.02 -0.72 0.40 -1.26 -0.64 117.98 117.34 3iwk s PHE 374 Ca 0.55 1.15 0.04 0.00 -0.60 0.00 0.00 56.93 58.08 3iwk s PHE 374 Cb 0.31 -2.66 -0.01 0.00 0.51 0.00 0.00 43.02 41.17 3iwk s PHE 374 CO -0.19 0.22 -0.15 0.08 0.70 0.00 0.00 175.22 175.88 3iwk s VAL 375 N 0.32 1.23 0.43 -0.44 1.01 -1.26 -4.13 120.40 117.56 3iwk s VAL 375 Ca 0.32 -0.65 -0.23 0.00 0.00 0.00 0.00 61.98 61.42 3iwk s VAL 375 Cb -0.17 -1.04 -0.08 0.00 0.00 0.00 0.00 36.38 35.08 3iwk s VAL 375 CO 0.16 0.35 1.11 -1.61 0.00 0.00 0.00 175.10 175.11 3iwk s GLU 376 N -0.19 3.94 -0.09 2.72 2.02 -0.27 -4.93 118.70 121.89 3iwk s GLU 376 Ca 0.02 1.64 -0.37 0.00 0.02 0.00 0.00 54.97 56.29 3iwk s GLU 376 Cb -0.08 -2.45 -0.15 0.00 0.10 0.00 0.00 34.13 31.55 3iwk s GLU 376 CO 0.00 -0.37 1.67 -2.30 0.02 0.00 0.00 175.26 174.29 3iwk n PRO 377 N -0.33 1.56 -4.65 0.39 -0.02 -1.26 -4.07 135.00 126.62 3iwk n PRO 377 Ca 0.06 0.57 -0.33 0.00 -2.02 0.00 0.00 63.50 61.78 3iwk n PRO 377 Cb 0.49 -2.30 -0.15 0.00 -0.02 0.00 0.00 33.50 31.53 3iwk n PRO 377 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3iwk s THR 378 N 2.68 2.97 -0.16 3.45 2.01 0.16 -3.58 115.64 123.16 3iwk s THR 378 Ca 0.91 -0.68 -0.01 0.00 0.31 0.00 0.00 61.69 62.22 3iwk s THR 378 Cb -0.89 -2.26 -0.01 0.00 0.01 0.00 0.00 72.50 69.35 3iwk s THR 378 CO 0.54 0.51 -0.11 -0.63 -0.69 0.00 0.00 174.62 174.24 3iwk s ILE 379 N 0.55 3.02 -0.11 1.82 1.01 -1.17 -0.48 121.20 125.83 3iwk s ILE 379 Ca -0.08 -0.65 0.02 0.00 0.00 0.00 0.00 60.65 59.94 3iwk s ILE 379 Cb -0.16 -2.30 -0.01 0.00 0.01 0.00 0.00 42.46 40.00 3iwk s ILE 379 CO 0.04 0.50 -0.18 -0.63 0.00 0.00 0.00 174.94 174.66 3iwk s ILE 380 N 0.80 2.61 0.38 2.92 1.01 0.11 -1.14 121.20 127.89 3iwk s ILE 380 Ca -0.04 -0.82 0.01 0.00 0.00 0.00 0.00 60.65 59.80 3iwk s ILE 380 Cb -0.15 -2.06 -0.00 0.00 0.01 0.00 0.00 42.46 40.26 3iwk s ILE 380 CO 0.01 0.54 0.04 1.07 0.00 0.00 0.00 174.94 176.60 3iwk n THR 381 N 3.46 0.00 -3.68 2.92 5.66 0.40 -1.16 114.28 121.87 3iwk n THR 381 Ca -0.18 -1.89 -0.23 0.00 -3.05 0.00 0.00 64.05 58.70 3iwk n THR 381 Cb 0.53 0.48 0.05 0.00 -1.55 0.00 0.00 70.33 69.84 3iwk n THR 381 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 3iwk n ASP 382 N -1.37 -2.86 -4.82 1.09 8.00 -1.26 -1.19 116.55 114.14 3iwk n ASP 382 Ca -0.13 -0.73 -0.38 0.00 0.71 0.00 0.00 54.79 54.26 3iwk n ASP 382 Cb 0.50 -4.36 -0.06 0.00 -0.02 0.00 0.00 41.12 37.18 3iwk n ASP 382 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3iwk s VAL 383 N -3.48 5.15 0.14 2.53 1.01 -1.26 -4.38 120.40 120.12 3iwk s VAL 383 Ca 0.23 0.71 0.05 0.00 0.00 0.00 0.00 61.98 62.97 3iwk s VAL 383 Cb -0.11 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 3iwk s VAL 383 CO 0.79 0.54 0.08 -0.89 0.00 0.00 0.00 175.10 175.62 3iwk s THR 384 N -0.71 4.32 0.55 3.92 2.01 -1.26 -4.90 115.64 119.57 3iwk s THR 384 Ca 0.22 -1.06 0.24 0.00 0.31 0.00 0.00 61.69 61.40 3iwk s THR 384 Cb -0.15 -3.15 0.34 0.00 0.01 0.00 0.00 72.50 69.55 3iwk s THR 384 CO 0.10 -0.03 2.09 0.74 -0.69 0.00 0.00 174.62 176.84 3iwk h THR 385 N 2.33 0.73 0.00 -0.82 2.02 -1.99 -2.53 112.91 112.64 3iwk h THR 385 Ca -0.47 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.71 3iwk h THR 385 Cb 1.19 0.87 0.00 0.00 -1.74 0.00 0.00 68.15 68.47 3iwk h THR 385 CO 0.62 0.00 -0.34 -1.54 0.37 0.00 0.00 175.52 174.64 3iwk n SER 386 N -4.22 0.49 -4.77 4.18 3.41 -1.26 -4.67 113.62 106.77 3iwk n SER 386 Ca 0.02 0.17 -0.37 0.00 -0.26 0.00 0.00 58.87 58.43 3iwk n SER 386 Cb 0.32 -0.12 -0.01 0.00 -0.26 0.00 0.00 64.21 64.14 3iwk n SER 386 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 3iwk s MET 387 N -3.06 3.88 0.29 4.33 1.00 -0.95 -4.93 119.30 119.85 3iwk s MET 387 Ca 0.10 1.79 0.01 0.00 0.00 0.00 0.00 55.69 57.60 3iwk s MET 387 Cb 0.16 -2.51 0.56 0.00 0.00 0.00 0.00 34.83 33.03 3iwk s MET 387 CO 0.65 -0.45 1.86 1.96 0.00 0.00 0.00 175.02 179.03 3iwk h GLN 388 N 2.28 0.97 0.00 2.03 4.20 -1.91 -2.25 115.11 120.43 3iwk h GLN 388 Ca -0.49 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.15 3iwk h GLN 388 Cb 1.24 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 28.80 3iwk h GLN 388 CO 0.61 0.64 -0.03 0.97 -0.67 0.00 0.00 178.83 180.35 3iwk h ILE 389 N 1.00 0.19 0.01 2.54 6.09 -1.88 0.16 117.51 125.61 3iwk h ILE 389 Ca 0.47 -0.28 -0.33 0.00 -1.37 0.00 0.00 64.86 63.36 3iwk h ILE 389 Cb 0.43 1.23 -0.06 0.00 0.47 0.00 0.00 36.82 38.89 3iwk h ILE 389 CO -0.23 0.03 -2.00 1.87 -3.07 0.00 0.00 178.15 174.75 3iwk n TRP 390 N -3.29 0.63 0.05 2.19 -0.00 -0.89 -4.53 117.44 111.60 3iwk n TRP 390 Ca -0.02 0.22 -0.21 0.00 -0.00 0.00 0.00 57.50 57.49 3iwk n TRP 390 Cb 0.18 -1.11 -0.14 0.00 -0.00 0.00 0.00 31.31 30.23 3iwk n TRP 390 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 3iwk h ARG 391 N 0.01 0.31 -6.46 5.87 2.47 -0.94 -3.49 114.38 112.16 3iwk h ARG 391 Ca -0.40 -0.54 -0.67 0.00 -1.26 0.00 0.00 59.98 57.12 3iwk h ARG 391 Cb 2.09 0.20 -0.15 0.00 -1.65 0.00 0.00 29.97 30.46 3iwk h ARG 391 CO 0.06 1.22 -0.72 -1.21 0.56 0.00 0.00 179.97 179.87 3iwk s GLU 392 N -2.58 2.29 -0.11 0.04 2.02 0.50 -4.94 118.70 115.92 3iwk s GLU 392 Ca -0.16 -0.93 -0.30 0.00 0.02 0.00 0.00 54.97 53.61 3iwk s GLU 392 Cb 0.06 -2.39 -0.03 0.00 0.10 0.00 0.00 34.13 31.88 3iwk s GLU 392 CO 0.83 0.53 1.36 -2.00 0.02 0.00 0.00 175.26 176.00 3iwk s GLU 393 N -2.04 4.24 -0.03 1.61 2.12 -1.26 -4.76 118.70 118.57 3iwk s GLU 393 Ca 0.21 1.82 -0.21 0.00 0.36 0.00 0.00 54.97 57.15 3iwk s GLU 393 Cb -0.11 -3.77 -0.30 0.00 0.26 0.00 0.00 34.13 30.21 3iwk s GLU 393 CO 0.13 -0.70 0.95 0.28 -0.54 0.00 0.00 175.26 175.38 3iwk h VAL 394 N 5.40 1.48 -4.67 3.70 2.07 -1.93 -3.48 116.25 118.82 3iwk h VAL 394 Ca -0.31 -2.44 -0.41 0.00 0.82 0.00 0.00 66.70 64.36 3iwk h VAL 394 Cb 1.13 3.06 0.07 0.00 -1.52 0.00 0.00 31.29 34.03 3iwk h VAL 394 CO 0.95 0.70 -0.62 0.33 0.02 0.00 0.00 177.57 178.95 3iwk n PHE 395 N -4.12 -2.10 -4.11 1.57 7.35 -1.26 -4.63 117.46 110.16 3iwk n PHE 395 Ca -0.13 0.59 -0.12 0.00 -0.76 0.00 0.00 57.45 57.03 3iwk n PHE 395 Cb 0.81 -4.60 -0.07 0.00 0.35 0.00 0.00 39.48 35.97 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 -2.79 1.14 -1.36 7.13 0.00 -1.18 -4.39 107.32 105.87 3iwk s GLY 396 Ca 0.34 -1.36 -0.13 0.00 0.00 0.00 0.00 44.72 43.57 3iwk s GLY 396 CO 0.43 -1.03 2.38 -1.55 0.00 0.00 0.00 173.10 173.32 3iwk n PRO 397 N -0.38 2.83 -3.89 2.90 -0.05 -1.20 -4.58 135.00 130.62 3iwk n PRO 397 Ca 0.01 -2.28 -0.28 0.00 -0.05 0.00 0.00 63.50 60.90 3iwk n PRO 397 Cb 0.63 -3.02 -0.16 0.00 -0.05 0.00 0.00 33.50 30.90 3iwk n PRO 397 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 175.50 175.53 3iwk s VAL 398 N 3.19 1.13 -0.20 0.52 1.01 -1.26 -0.66 120.40 124.14 3iwk s VAL 398 Ca 0.54 -0.67 -0.06 0.00 0.00 0.00 0.00 61.98 61.79 3iwk s VAL 398 Cb 0.15 -1.32 -0.03 0.00 0.00 0.00 0.00 36.38 35.18 3iwk s VAL 398 CO -0.05 0.11 0.04 -0.22 0.00 0.00 0.00 175.10 174.98 3iwk s LEU 399 N 1.62 3.56 -0.10 3.92 0.20 0.37 -4.88 118.68 123.36 3iwk s LEU 399 Ca 0.00 -0.06 -0.09 0.00 0.69 0.00 0.00 54.13 54.67 3iwk s LEU 399 Cb -0.16 -1.91 -0.04 0.00 -0.43 0.00 0.00 46.19 43.65 3iwk s LEU 399 CO -0.08 0.11 0.21 0.00 -0.29 0.00 0.00 176.35 176.30 3iwk s ALA 400 N 0.74 3.81 -0.14 5.97 0.00 -0.46 0.04 121.76 131.73 3iwk s ALA 400 Ca 0.02 -0.54 0.01 0.00 0.00 0.00 0.00 51.96 51.45 3iwk s ALA 400 Cb -0.14 -2.10 0.02 0.00 0.00 0.00 0.00 23.12 20.90 3iwk s ALA 400 CO 0.02 0.53 -0.17 0.08 0.00 0.00 0.00 175.76 176.21 3iwk s VAL 401 N -0.85 1.75 0.25 0.00 1.01 -0.31 0.18 120.40 122.44 3iwk s VAL 401 Ca 0.16 -0.77 0.06 0.00 0.00 0.00 0.00 61.98 61.44 3iwk s VAL 401 Cb -0.13 -1.59 -0.05 0.00 0.00 0.00 0.00 36.38 34.61 3iwk s VAL 401 CO 0.06 0.49 -0.07 -0.54 0.00 0.00 0.00 175.10 175.04 3iwk s LYS 402 N 1.11 1.46 0.18 2.72 1.02 -0.10 -3.99 119.74 122.14 3iwk s LYS 402 Ca -0.02 -1.72 0.10 0.00 0.02 0.00 0.00 55.97 54.35 3iwk s LYS 402 Cb -0.14 -1.06 -0.04 0.00 -0.52 0.00 0.00 37.83 36.07 3iwk s LYS 402 CO -0.06 0.05 -0.19 -0.08 -0.92 0.00 0.00 175.35 174.15 3iwk s THR 403 N -3.07 2.64 0.10 2.17 -1.32 -1.26 -1.59 115.64 113.30 3iwk s THR 403 Ca 0.28 -1.84 -0.08 0.00 -1.21 0.00 0.00 61.69 58.84 3iwk s THR 403 Cb 0.03 -2.27 -0.01 0.00 -1.51 0.00 0.00 72.50 68.75 3iwk s THR 403 CO 0.10 -0.07 0.18 0.72 -2.21 0.00 0.00 174.62 173.34 3iwk s PHE 404 N -1.57 0.25 -0.08 9.09 -0.12 -0.28 -4.87 117.98 120.40 3iwk s PHE 404 Ca 0.21 -0.68 -0.03 0.00 -0.05 0.00 0.00 56.93 56.38 3iwk s PHE 404 Cb -0.09 -0.11 -0.04 0.00 -0.63 0.00 0.00 43.02 42.16 3iwk s PHE 404 CO 0.11 -0.55 -0.10 -1.13 -0.05 0.00 0.00 175.22 173.50 3iwk n SER 405 N -0.07 1.00 -4.91 1.98 3.41 -1.26 -0.52 113.62 113.25 3iwk n SER 405 Ca -0.14 0.08 -0.30 0.00 -0.26 0.00 0.00 58.87 58.26 3iwk n SER 405 Cb 0.62 -0.22 -0.04 0.00 -0.26 0.00 0.00 64.21 64.31 3iwk n SER 405 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3iwk s THR 406 N -2.15 5.19 0.29 6.66 -4.23 -1.26 -4.94 115.64 115.20 3iwk s THR 406 Ca -0.11 -0.16 -0.00 0.00 -1.18 0.00 0.00 61.69 60.23 3iwk s THR 406 Cb 0.04 -3.68 0.28 0.00 1.34 0.00 0.00 72.50 70.48 3iwk s THR 406 CO 0.15 -0.07 1.89 -0.08 -0.54 0.00 0.00 174.62 175.98 3iwk h GLU 407 N 2.42 1.06 -0.88 3.99 4.81 -1.99 -0.85 114.58 123.13 3iwk h GLU 407 Ca -0.47 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 58.68 3iwk h GLU 407 Cb 1.18 -0.24 -0.04 0.00 0.63 0.00 0.00 28.75 30.28 3iwk h GLU 407 CO 0.71 0.70 0.48 1.49 -0.73 0.00 0.00 179.01 181.66 3iwk h GLU 408 N 1.09 1.24 -0.22 1.92 4.57 -1.99 -1.14 114.58 120.04 3iwk h GLU 408 Ca 0.42 -0.15 -0.02 0.00 -1.18 0.00 0.00 59.36 58.43 3iwk h GLU 408 Cb 0.21 -0.24 -0.01 0.00 -0.16 0.00 0.00 28.75 28.55 3iwk h GLU 408 CO -0.17 0.90 0.04 1.49 -1.18 0.00 0.00 179.01 180.10 3iwk h GLU 409 N 1.24 0.36 -0.44 1.92 4.81 -1.78 -1.35 114.58 119.34 3iwk h GLU 409 Ca 0.31 -0.09 0.07 0.00 -0.13 0.00 0.00 59.36 59.52 3iwk h GLU 409 Cb 0.03 -0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.31 3iwk h GLU 409 CO -0.05 0.50 0.09 0.00 -0.73 0.00 0.00 179.01 178.82 3iwk h ALA 410 N 0.85 0.48 -0.30 2.92 0.00 -0.88 -1.08 119.26 121.25 3iwk h ALA 410 Ca 0.07 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 3iwk h ALA 410 Cb 0.31 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3iwk h ALA 410 CO 0.00 -0.31 0.08 0.82 0.00 0.00 0.00 179.25 179.84 3iwk h ILE 411 N 0.22 1.21 -0.71 0.00 2.04 -1.14 -1.35 117.51 117.79 3iwk h ILE 411 Ca 0.21 -0.71 -0.02 0.00 1.00 0.00 0.00 64.86 65.34 3iwk h ILE 411 Cb 0.27 1.11 -0.03 0.00 -0.74 0.00 0.00 36.82 37.42 3iwk h ILE 411 CO -0.28 0.24 0.35 0.78 0.00 0.00 0.00 178.15 179.23 3iwk h ASN 412 N 0.32 0.92 -0.68 1.72 2.35 -1.00 -1.25 115.58 117.96 3iwk h ASN 412 Ca 0.09 -0.13 -0.06 0.00 -0.55 0.00 0.00 56.30 55.65 3iwk h ASN 412 Cb 0.28 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.39 3iwk h ASN 412 CO 0.00 0.79 0.18 -0.07 -1.65 0.00 0.00 177.43 176.68 3iwk h LEU 413 N 0.98 1.03 -0.78 1.61 3.38 -1.16 -2.36 115.31 118.01 3iwk h LEU 413 Ca 0.24 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3iwk h LEU 413 Cb 0.10 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 3iwk h LEU 413 CO -0.03 0.98 0.48 0.00 0.09 0.00 0.00 178.44 179.96 3iwk h ALA 414 N 1.08 1.00 -0.34 1.53 0.00 -0.80 -2.58 119.26 119.15 3iwk h ALA 414 Ca 0.22 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3iwk h ALA 414 Cb 0.35 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3iwk h ALA 414 CO -0.00 0.46 0.00 0.09 0.00 0.00 0.00 179.25 179.80 3iwk n ASN 415 N -4.49 1.92 -3.69 0.00 3.02 -0.51 -4.62 115.26 106.89 3iwk n ASN 415 Ca 0.08 -1.96 -0.41 0.00 -0.03 0.00 0.00 54.58 52.25 3iwk n ASN 415 Cb 0.05 -0.22 -0.00 0.00 -0.61 0.00 0.00 39.78 38.99 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 0.54 5.82 -3.54 6.41 2.03 -0.90 -4.82 116.55 122.10 3iwk n ASP 416 Ca 0.13 -2.99 -0.16 0.00 0.52 0.00 0.00 54.79 52.29 3iwk n ASP 416 Cb 0.31 -1.51 -0.06 0.00 -0.72 0.00 0.00 41.12 39.15 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 0.96 0.00 -0.77 5.18 -1.32 -1.26 -4.98 115.64 113.44 3iwk s THR 417 Ca 0.48 0.00 0.27 0.00 -1.21 0.00 0.00 61.69 61.22 3iwk s THR 417 Cb 0.13 -1.00 0.28 0.00 -1.51 0.00 0.00 72.50 70.40 3iwk s THR 417 CO -0.04 0.00 1.79 0.00 -2.21 0.00 0.00 174.62 174.16 3iwk n HIS 418 N 0.97 0.78 -2.07 9.09 1.44 -1.26 -4.86 115.22 119.32 3iwk n HIS 418 Ca -0.17 0.23 -0.25 0.00 -2.01 0.00 0.00 57.72 55.52 3iwk n HIS 418 Cb 0.57 -0.87 0.16 0.00 0.12 0.00 0.00 29.99 29.97 3iwk n HIS 418 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 3iwk n TYR 419 N -2.14 -3.67 0.00 -1.40 4.02 -1.26 -1.25 117.16 111.45 3iwk n TYR 419 Ca 0.06 -1.22 0.00 0.00 -0.01 0.00 0.00 57.90 56.72 3iwk n TYR 419 Cb 0.42 -0.84 0.00 0.00 -0.02 0.00 0.00 39.34 38.90 3iwk n TYR 419 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3iwk n GLY 420 N -2.51 -0.26 0.00 2.72 0.00 -1.22 -4.69 105.19 99.23 3iwk n GLY 420 Ca 0.15 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.30 3iwk n GLY 420 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3iwk n LEU 421 N 0.00 1.64 0.00 0.99 7.94 -1.26 -0.96 117.00 125.35 3iwk n LEU 421 Ca 0.00 0.02 -0.22 0.00 -1.11 0.00 0.00 56.01 54.70 3iwk n LEU 421 Cb 0.00 -0.04 0.02 0.00 0.53 0.00 0.00 43.42 43.93 3iwk n LEU 421 CO 0.00 -0.04 0.12 0.61 -1.11 0.00 0.00 177.39 176.98 3iwk n GLY 422 N 2.45 2.58 3.64 -3.96 0.00 -1.26 -0.70 105.19 107.94 3iwk n GLY 422 Ca 0.00 -2.27 -0.03 0.00 0.00 0.00 0.00 46.02 43.72 3iwk n GLY 422 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3iwk s SER 423 N -4.00 -0.05 -0.02 1.61 1.04 -0.68 -4.18 113.70 107.43 3iwk s SER 423 Ca 0.34 0.04 -0.04 0.00 0.48 0.00 0.00 55.95 56.77 3iwk s SER 423 Cb -0.03 0.05 0.00 0.00 0.10 0.00 0.00 66.02 66.14 3iwk s SER 423 CO 0.22 -0.06 0.10 0.00 0.98 0.00 0.00 173.24 174.48 3iwk s ALA 424 N -1.37 -0.23 -0.13 5.32 0.00 0.27 -0.30 121.76 125.32 3iwk s ALA 424 Ca 0.09 0.03 -0.01 0.00 0.00 0.00 0.00 51.96 52.07 3iwk s ALA 424 Cb -0.01 -0.04 0.03 0.00 0.00 0.00 0.00 23.12 23.11 3iwk s ALA 424 CO -0.06 -0.12 -0.06 0.14 0.00 0.00 0.00 175.76 175.66 3iwk s VAL 425 N -0.65 0.96 -0.34 0.00 -7.23 0.01 -0.45 120.40 112.70 3iwk s VAL 425 Ca -0.07 -0.36 -0.10 0.00 -1.81 0.00 0.00 61.98 59.64 3iwk s VAL 425 Cb -0.04 -1.06 0.01 0.00 0.56 0.00 0.00 36.38 35.84 3iwk s VAL 425 CO 0.00 0.26 0.17 -0.04 -0.31 0.00 0.00 175.10 175.19 3iwk s MET 426 N 1.72 3.05 -0.28 4.82 -1.94 0.07 -0.81 119.30 125.93 3iwk s MET 426 Ca 0.03 -0.91 -0.20 0.00 -1.71 0.00 0.00 55.69 52.90 3iwk s MET 426 Cb -0.13 -3.61 0.12 0.00 2.01 0.00 0.00 34.83 33.21 3iwk s MET 426 CO -0.08 -0.56 0.95 0.45 -0.01 0.00 0.00 175.02 175.78 3iwk s SER 427 N 1.57 -0.55 0.43 3.03 0.15 -1.26 -1.62 113.70 115.45 3iwk s SER 427 Ca 0.03 0.96 0.20 0.00 0.70 0.00 0.00 55.95 57.84 3iwk s SER 427 Cb -0.18 1.10 0.97 0.00 -1.71 0.00 0.00 66.02 66.21 3iwk s SER 427 CO 0.06 -0.16 1.89 0.78 1.20 0.00 0.00 173.24 177.01 3iwk h ASN 428 N 5.31 0.00 -2.50 5.45 2.35 -1.74 -3.41 115.58 121.03 3iwk h ASN 428 Ca -0.28 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 54.93 3iwk h ASN 428 Cb 1.19 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 39.51 3iwk h ASN 428 CO 0.14 0.27 1.20 -0.62 -1.65 0.00 0.00 177.43 176.77 3iwk s ASP 429 N -6.48 5.84 0.39 5.81 -1.08 -1.26 -4.89 116.67 115.01 3iwk s ASP 429 Ca -0.02 0.36 0.21 0.00 -0.52 0.00 0.00 52.55 52.58 3iwk s ASP 429 Cb 0.13 -2.54 0.70 0.00 -1.46 0.00 0.00 42.92 39.74 3iwk s ASP 429 CO 0.66 -1.92 1.73 -0.07 0.52 0.00 0.00 175.17 176.09 3iwk h LEU 430 N 14.18 0.00 -0.47 -1.34 4.07 -2.00 -2.34 115.31 127.41 3iwk h LEU 430 Ca -0.27 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 57.54 3iwk h LEU 430 Cb 1.12 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.85 3iwk h LEU 430 CO 1.18 0.31 -0.30 -0.33 -1.08 0.00 0.00 178.44 178.22 3iwk h GLU 431 N 0.00 0.94 -0.25 1.13 5.08 -1.96 -2.28 114.58 117.24 3iwk h GLU 431 Ca -0.00 -0.44 -0.01 0.00 -1.00 0.00 0.00 59.36 57.90 3iwk h GLU 431 Cb 0.90 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.13 3iwk h GLU 431 CO 0.04 1.10 0.11 -0.09 -1.00 0.00 0.00 179.01 179.18 3iwk h ARG 432 N 0.79 0.37 -0.88 2.33 2.43 -1.88 -1.79 114.38 115.77 3iwk h ARG 432 Ca 0.09 -0.06 0.09 0.00 -0.81 0.00 0.00 59.98 59.28 3iwk h ARG 432 Cb 0.88 -0.06 -0.07 0.00 -0.42 0.00 0.00 29.97 30.29 3iwk h ARG 432 CO 0.08 0.40 0.53 0.00 -1.51 0.00 0.00 179.97 179.46 3iwk h GLU 434 N 0.91 0.61 -0.33 0.00 4.81 -1.08 0.86 114.58 120.35 3iwk h GLU 434 Ca 0.41 -0.11 0.05 0.00 -0.13 0.00 0.00 59.36 59.58 3iwk h GLU 434 Cb 0.31 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.54 3iwk h GLU 434 CO -0.22 0.57 0.05 0.00 -0.73 0.00 0.00 179.01 178.67 3iwk h ARG 435 N 0.52 0.15 -0.27 1.92 3.08 -0.92 -2.23 114.38 116.62 3iwk h ARG 435 Ca 0.14 -0.01 -0.10 0.00 0.07 0.00 0.00 59.98 60.08 3iwk h ARG 435 Cb 0.18 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 3iwk h ARG 435 CO -0.01 0.10 -0.26 -0.07 -1.07 0.00 0.00 179.97 178.66 3iwk h LEU 436 N 0.16 0.54 -1.57 3.04 4.07 -1.10 -1.57 115.31 118.88 3iwk h LEU 436 Ca 0.16 -0.19 -0.00 0.00 0.08 0.00 0.00 57.88 57.92 3iwk h LEU 436 Cb 0.18 -0.15 -0.02 0.00 1.08 0.00 0.00 40.66 41.76 3iwk h LEU 436 CO -0.22 0.79 0.23 0.77 -1.08 0.00 0.00 178.44 178.93 3iwk h SER 437 N 0.47 0.46 0.31 -0.43 4.64 -0.28 0.16 113.55 118.87 3iwk h SER 437 Ca 0.07 -0.02 -0.24 0.00 -0.47 0.00 0.00 61.79 61.13 3iwk h SER 437 Cb 0.70 -0.11 0.01 0.00 -0.31 0.00 0.00 62.40 62.68 3iwk h SER 437 CO 0.05 0.36 -0.99 0.11 -0.87 0.00 0.00 176.83 175.49 3iwk h LYS 438 N 0.53 0.45 0.00 4.77 1.57 -1.04 -3.34 116.57 119.50 3iwk h LYS 438 Ca 0.14 -0.50 -0.16 0.00 -1.87 0.00 0.00 60.65 58.26 3iwk h LYS 438 Cb -0.02 0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 3iwk h LYS 438 CO -0.03 1.15 -0.81 0.00 -0.57 0.00 0.00 179.45 179.19 3iwk h ALA 439 N 0.67 0.53 -2.37 3.86 0.00 -0.34 -3.45 119.26 118.16 3iwk h ALA 439 Ca -0.09 -0.72 -0.54 0.00 0.00 0.00 0.00 54.91 53.56 3iwk h ALA 439 Cb 1.63 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.34 3iwk h ALA 439 CO 0.17 0.96 0.84 -0.51 0.00 0.00 0.00 179.25 180.71 3iwk s LEU 440 N -6.52 4.31 -1.21 0.00 1.43 0.48 -4.93 118.68 112.23 3iwk s LEU 440 Ca 0.02 2.11 -0.15 0.00 -1.03 0.00 0.00 54.13 55.08 3iwk s LEU 440 Cb 0.09 -3.56 0.15 0.00 0.03 0.00 0.00 46.19 42.90 3iwk s LEU 440 CO 0.79 -0.72 1.47 -1.10 0.23 0.00 0.00 176.35 177.02 3iwk s GLN 441 N 2.43 4.05 0.12 1.70 -0.21 -1.26 -4.92 119.66 121.58 3iwk s GLN 441 Ca 0.64 -2.45 -0.12 0.00 0.02 0.00 0.00 55.36 53.45 3iwk s GLN 441 Cb -0.31 -5.14 0.01 0.00 1.00 0.00 0.00 33.01 28.57 3iwk s GLN 441 CO 0.26 -1.85 0.30 0.00 -2.12 0.00 0.00 175.29 171.88 3iwk s ALA 442 N 2.08 -0.47 -0.01 6.09 0.00 -1.26 -4.50 121.76 123.69 3iwk s ALA 442 Ca 0.44 -0.45 0.12 0.00 0.00 0.00 0.00 51.96 52.07 3iwk s ALA 442 Cb -0.02 0.65 0.04 0.00 0.00 0.00 0.00 23.12 23.79 3iwk s ALA 442 CO 0.01 -0.60 1.42 0.78 0.00 0.00 0.00 175.76 177.37 3iwk h GLY 443 N 2.55 0.00 -5.84 0.00 0.00 -0.28 -3.46 103.07 96.04 3iwk h GLY 443 Ca -0.33 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 46.53 3iwk h GLY 443 CO 0.50 0.00 -0.80 -0.42 0.00 0.00 0.00 176.54 175.82 3iwk s ILE 444 N -2.96 0.92 -0.17 2.60 1.01 -0.29 -4.78 121.20 117.53 3iwk s ILE 444 Ca 0.02 -0.37 0.01 0.00 0.00 0.00 0.00 60.65 60.31 3iwk s ILE 444 Cb 0.09 -0.85 0.03 0.00 0.01 0.00 0.00 42.46 41.74 3iwk s ILE 444 CO 0.77 0.30 -0.14 -0.69 0.00 0.00 0.00 174.94 175.17 3iwk s VAL 445 N 0.57 1.67 -0.13 2.92 1.01 -1.26 -1.68 120.40 123.50 3iwk s VAL 445 Ca -0.11 -0.78 -0.12 0.00 0.00 0.00 0.00 61.98 60.97 3iwk s VAL 445 Cb -0.14 -1.60 -0.05 0.00 0.00 0.00 0.00 36.38 34.60 3iwk s VAL 445 CO 0.02 0.39 0.27 0.26 0.00 0.00 0.00 175.10 176.05 3iwk s TRP 446 N 1.43 3.53 -0.23 5.22 0.51 0.59 -4.99 118.94 125.00 3iwk s TRP 446 Ca 0.03 0.64 -0.01 0.00 -2.12 0.00 0.00 56.10 54.64 3iwk s TRP 446 Cb -0.14 -2.24 0.02 0.00 -0.81 0.00 0.00 33.47 30.30 3iwk s TRP 446 CO -0.10 0.41 -0.09 0.42 -0.51 0.00 0.00 176.95 177.08 3iwk s ILE 447 N -0.12 2.73 -1.75 2.03 1.01 -1.26 -0.81 121.20 123.03 3iwk s ILE 447 Ca 0.17 -0.97 -0.01 0.00 0.00 0.00 0.00 60.65 59.84 3iwk s ILE 447 Cb -0.13 -2.33 0.00 0.00 0.01 0.00 0.00 42.46 40.01 3iwk s ILE 447 CO 0.05 0.29 0.10 0.59 0.00 0.00 0.00 174.94 175.97 3iwk n ASN 448 N 4.66 -5.95 -2.54 3.58 3.02 0.00 -4.96 115.26 113.07 3iwk n ASN 448 Ca -0.18 -0.06 -0.04 0.00 -0.03 0.00 0.00 54.58 54.27 3iwk n ASN 448 Cb 0.48 -4.93 0.02 0.00 -0.61 0.00 0.00 39.78 34.74 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 -1.80 -1.51 0.00 0.00 0.00 -1.26 -4.64 121.76 112.55 3iwk s ALA 450 Ca 0.15 1.87 0.00 0.00 0.00 0.00 0.00 51.96 53.98 3iwk s ALA 450 Cb -0.03 -1.45 0.00 0.00 0.00 0.00 0.00 23.12 21.64 3iwk s ALA 450 CO 0.07 -0.74 0.00 1.04 0.00 0.00 0.00 175.76 176.13 3iwk n GLN 451 N 5.22 0.00 -1.62 0.00 1.13 -1.26 -4.50 117.38 116.34 3iwk n GLN 451 Ca -0.12 0.00 -0.47 0.00 -1.94 0.00 0.00 57.00 54.47 3iwk n GLN 451 Cb 0.51 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.82 3iwk n GLN 451 CO 0.00 0.00 0.00 -2.30 -1.44 0.00 0.00 177.06 173.32 3iwk n PRO 452 N 0.00 1.59 -3.79 -1.09 -0.02 -1.26 -4.95 135.00 125.49 3iwk n PRO 452 Ca 0.00 0.57 -0.29 0.00 -2.02 0.00 0.00 63.50 61.76 3iwk n PRO 452 Cb 0.00 -2.13 -0.13 0.00 -0.02 0.00 0.00 33.50 31.22 3iwk n PRO 452 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3iwk s SER 453 N 0.10 3.89 0.20 2.55 1.04 -1.26 -5.10 113.70 115.12 3iwk s SER 453 Ca 0.70 -2.99 -0.30 0.00 0.48 0.00 0.00 55.95 53.84 3iwk s SER 453 Cb -0.75 -1.27 -0.09 0.00 0.10 0.00 0.00 66.02 64.02 3iwk s SER 453 CO 0.51 -0.22 1.30 -0.36 0.98 0.00 0.00 173.24 175.46 3iwk s PHE 454 N -0.18 3.26 0.49 5.02 0.40 -1.26 -4.91 117.98 120.80 3iwk s PHE 454 Ca 0.20 1.24 0.37 0.00 -0.60 0.00 0.00 56.93 58.14 3iwk s PHE 454 Cb -0.19 -3.60 1.93 0.00 0.51 0.00 0.00 43.02 41.68 3iwk s PHE 454 CO -0.04 -1.84 2.22 0.97 0.70 0.00 0.00 175.22 177.22 3iwk h ILE 455 N 3.72 0.19 0.00 0.64 -0.00 -1.99 -2.11 117.51 117.96 3iwk h ILE 455 Ca -0.45 -0.22 0.00 0.00 -0.00 0.00 0.00 64.86 64.19 3iwk h ILE 455 Cb 1.21 1.18 0.00 0.00 -0.00 0.00 0.00 36.82 39.21 3iwk h ILE 455 CO 0.77 0.03 -0.11 1.56 -0.00 0.00 0.00 178.15 180.40 3iwk h GLN 456 N 0.00 0.00 -6.01 2.19 7.50 -1.94 0.70 115.11 117.55 3iwk h GLN 456 Ca -0.00 0.00 -0.68 0.00 0.50 0.00 0.00 58.65 58.47 3iwk h GLN 456 Cb 0.18 0.00 -0.19 0.00 0.05 0.00 0.00 27.48 27.52 3iwk h GLN 456 CO 0.00 0.00 -0.68 0.00 -1.50 0.00 0.00 178.83 176.66 3iwk s ALA 457 N -3.16 3.04 0.35 3.87 0.00 -0.80 -4.19 121.76 120.88 3iwk s ALA 457 Ca 0.08 -0.86 -0.28 0.00 0.00 0.00 0.00 51.96 50.90 3iwk s ALA 457 Cb 0.10 -1.32 -0.11 0.00 0.00 0.00 0.00 23.12 21.79 3iwk s ALA 457 CO 0.64 0.53 1.42 -1.25 0.00 0.00 0.00 175.76 177.11 3iwk s PRO 458 N -0.68 4.21 -0.10 0.00 0.04 -1.26 -4.26 135.00 132.94 3iwk s PRO 458 Ca 0.10 2.43 -0.00 0.00 0.04 0.00 0.00 61.00 63.57 3iwk s PRO 458 Cb -0.11 -3.01 0.02 0.00 0.04 0.00 0.00 34.50 31.43 3iwk s PRO 458 CO 0.02 -0.40 -0.07 -0.46 0.04 0.00 0.00 177.00 176.13 3iwk s TRP 459 N -1.05 1.35 0.00 0.56 -0.11 0.31 -4.96 118.94 115.05 3iwk s TRP 459 Ca 0.52 -0.63 0.00 0.00 1.22 0.00 0.00 56.10 57.21 3iwk s TRP 459 Cb -0.44 -1.15 0.00 0.00 -1.50 0.00 0.00 33.47 30.39 3iwk s TRP 459 CO 0.58 -0.46 0.00 0.41 -4.62 0.00 0.00 176.95 172.86 3iwk n GLY 460 N 4.85 0.81 3.87 5.86 0.00 -1.26 -0.35 105.19 118.96 3iwk n GLY 460 Ca -0.13 -0.96 -0.25 0.00 0.00 0.00 0.00 46.02 44.68 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 2.32 0.47 -0.02 0.00 -1.26 -3.90 107.32 104.93 3iwk s GLY 461 Ca 0.00 -1.53 0.02 0.00 0.00 0.00 0.00 44.72 43.21 3iwk s GLY 461 CO 0.00 -1.88 0.03 -0.26 0.00 0.00 0.00 173.10 170.98 3iwk s ILE 462 N -2.68 1.15 0.00 0.90 -4.36 -0.14 -4.01 121.20 112.07 3iwk s ILE 462 Ca 0.38 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.77 3iwk s ILE 462 Cb -0.01 -2.31 0.00 0.00 1.25 0.00 0.00 42.46 41.39 3iwk s ILE 462 CO 0.23 0.00 0.00 0.29 0.24 0.00 0.00 174.94 175.70 3iwk n LYS 463 N -1.15 0.00 0.00 0.37 5.02 -1.26 -2.06 118.16 119.09 3iwk n LYS 463 Ca -0.15 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.25 3iwk n LYS 463 Cb 0.67 0.00 0.59 0.00 -0.02 0.00 0.00 35.03 36.26 3iwk n LYS 463 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3iwk n ARG 464 N 14.00 0.44 0.00 1.97 5.12 -0.38 -2.28 116.66 135.53 3iwk n ARG 464 Ca 0.00 0.05 0.14 0.00 -1.93 0.00 0.00 57.85 56.11 3iwk n ARG 464 Cb 0.00 -1.50 0.66 0.00 -1.16 0.00 0.00 32.46 30.46 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 -1.19 0.00 0.00 0.55 7.64 -0.87 -4.76 113.62 114.99 3iwk n SER 465 Ca 0.13 0.19 0.00 0.00 1.01 0.00 0.00 58.87 60.19 3iwk n SER 465 Cb 0.14 -0.39 0.00 0.00 -1.01 0.00 0.00 64.21 62.94 3iwk n SER 465 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3iwk n GLY 466 N 1.27 -0.04 3.62 0.23 0.00 -0.97 -0.45 105.19 108.85 3iwk n GLY 466 Ca 0.10 -2.07 -0.08 0.00 0.00 0.00 0.00 46.02 43.97 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 -0.33 0.00 1.61 -0.71 -0.56 -3.82 117.98 114.17 3iwk s PHE 467 Ca 0.00 0.05 0.00 0.00 -1.04 0.00 0.00 56.93 55.94 3iwk s PHE 467 Cb 0.00 0.61 0.00 0.00 -1.21 0.00 0.00 43.02 42.42 3iwk s PHE 467 CO 0.00 -0.89 0.00 0.41 -1.34 0.00 0.00 175.22 173.40 3iwk n GLY 468 N -0.39 0.35 2.94 1.99 0.00 -1.26 -1.98 105.19 106.83 3iwk n GLY 468 Ca -0.10 -1.77 -0.20 0.00 0.00 0.00 0.00 46.02 43.95 3iwk n GLY 468 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3iwk s ARG 469 N -2.61 0.88 0.46 1.61 1.81 -1.26 -4.38 118.95 115.46 3iwk s ARG 469 Ca 0.00 -0.18 0.08 0.00 -1.72 0.00 0.00 55.73 53.91 3iwk s ARG 469 Cb 0.00 -0.85 0.02 0.00 -0.45 0.00 0.00 34.95 33.68 3iwk s ARG 469 CO 0.00 -0.00 0.59 -2.00 -0.68 0.00 0.00 175.30 173.21 3iwk s GLU 470 N 0.61 2.65 0.42 3.54 2.56 0.52 -3.80 118.70 125.19 3iwk s GLU 470 Ca -0.09 -1.39 0.00 0.00 0.00 0.00 0.00 54.97 53.49 3iwk s GLU 470 Cb -0.12 -2.66 0.00 0.00 2.00 0.00 0.00 34.13 33.35 3iwk s GLU 470 CO 0.01 -0.41 0.00 1.28 -0.56 0.00 0.00 175.26 175.58 3iwk n LEU 471 N -1.90 -0.70 0.00 2.70 4.77 -1.26 -0.53 117.00 120.09 3iwk n LEU 471 Ca 0.09 1.62 0.00 0.00 -0.03 0.00 0.00 56.01 57.69 3iwk n LEU 471 Cb 0.60 -2.17 0.00 0.00 -2.33 0.00 0.00 43.42 39.52 3iwk n LEU 471 CO 0.40 -1.50 0.00 0.61 -1.33 0.00 0.00 177.39 175.56 3iwk n GLY 472 N -3.60 0.85 0.18 -0.72 0.00 0.24 -0.74 105.19 101.41 3iwk n GLY 472 Ca -0.06 -0.69 0.04 0.00 0.00 0.00 0.00 46.02 45.31 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 -0.48 1.61 5.08 -1.89 -3.11 114.58 115.78 3iwk h GLU 473 Ca 0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 3iwk h GLU 473 Cb 0.00 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 3iwk h GLU 473 CO 0.00 0.40 0.12 -1.49 -1.00 0.00 0.00 179.01 177.04 3iwk h TRP 474 N 0.00 0.75 -0.60 4.33 6.55 -1.85 -1.82 115.95 123.31 3iwk h TRP 474 Ca -0.00 -0.06 0.03 0.00 0.95 0.00 0.00 58.89 59.81 3iwk h TRP 474 Cb 0.83 -0.22 -0.04 0.00 -0.86 0.00 0.00 29.16 28.87 3iwk h TRP 474 CO 0.00 0.63 0.36 0.78 -1.05 0.00 0.00 178.44 179.16 3iwk h GLY 475 N 0.91 0.85 0.81 1.49 0.00 -0.86 -2.14 103.07 104.13 3iwk h GLY 475 Ca 0.16 -0.27 -0.00 0.00 0.00 0.00 0.00 47.33 47.22 3iwk h GLY 475 CO -0.00 0.22 -0.02 -2.00 0.00 0.00 0.00 176.54 174.73 3iwk h LEU 476 N 0.70 -0.06 -1.79 3.11 6.46 -1.52 -3.12 115.31 119.08 3iwk h LEU 476 Ca 0.24 -0.18 0.06 0.00 -0.12 0.00 0.00 57.88 57.89 3iwk h LEU 476 Cb 0.04 0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 39.97 3iwk h LEU 476 CO -0.11 0.15 0.27 -0.33 -0.62 0.00 0.00 178.44 177.79 3iwk h GLU 477 N -0.26 0.24 -0.71 1.25 4.39 -1.21 -1.06 114.58 117.22 3iwk h GLU 477 Ca -0.01 -0.01 0.21 0.00 0.34 0.00 0.00 59.36 59.88 3iwk h GLU 477 Cb 0.23 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.80 3iwk h GLU 477 CO 0.01 0.16 0.58 -0.97 -1.16 0.00 0.00 179.01 177.64 3iwk h ASN 478 N 0.25 0.00 -0.23 1.42 -1.24 -1.32 -1.62 115.58 112.84 3iwk h ASN 478 Ca 0.17 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.18 3iwk h ASN 478 Cb 0.37 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.42 3iwk h ASN 478 CO -0.03 0.00 0.00 -1.22 -1.29 0.00 0.00 177.43 174.89 3iwk n TYR 479 N -4.04 0.30 -4.28 0.67 4.02 -0.41 -4.98 117.16 108.44 3iwk n TYR 479 Ca 0.14 -0.33 -0.31 0.00 -0.01 0.00 0.00 57.90 57.39 3iwk n TYR 479 Cb 0.85 -0.02 -0.09 0.00 -0.02 0.00 0.00 39.34 40.06 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 -0.97 3.32 0.14 7.72 1.43 -0.61 -1.06 118.68 128.64 3iwk s LEU 480 Ca 0.19 -0.16 0.07 0.00 -1.03 0.00 0.00 54.13 53.20 3iwk s LEU 480 Cb 0.11 -1.99 -0.04 0.00 0.03 0.00 0.00 46.19 44.30 3iwk s LEU 480 CO 0.15 0.23 -0.06 -0.94 0.23 0.00 0.00 176.35 175.96 3iwk s SER 481 N -1.86 4.53 -0.14 2.29 1.04 0.51 -4.78 113.70 115.28 3iwk s SER 481 Ca 0.21 -0.41 -0.16 0.00 0.48 0.00 0.00 55.95 56.08 3iwk s SER 481 Cb -0.11 -0.90 -0.04 0.00 0.10 0.00 0.00 66.02 65.07 3iwk s SER 481 CO 0.13 0.14 0.38 -0.69 0.98 0.00 0.00 173.24 174.18 3iwk s VAL 482 N -1.46 5.24 -0.20 5.02 1.01 -1.26 -1.60 120.40 127.16 3iwk s VAL 482 Ca 0.24 0.75 0.01 0.00 0.00 0.00 0.00 61.98 62.98 3iwk s VAL 482 Cb -0.10 -3.72 0.02 0.00 0.00 0.00 0.00 36.38 32.58 3iwk s VAL 482 CO 0.16 0.36 -0.17 -0.75 0.00 0.00 0.00 175.10 174.70 3iwk s LYS 483 N 0.50 2.90 -0.09 2.72 2.20 -0.40 -4.99 119.74 122.58 3iwk s LYS 483 Ca 0.21 -0.90 -0.30 0.00 -0.36 0.00 0.00 55.97 54.63 3iwk s LYS 483 Cb -0.14 -2.67 -0.02 0.00 -1.51 0.00 0.00 37.83 33.50 3iwk s LYS 483 CO 0.07 -0.27 1.03 -1.14 -0.36 0.00 0.00 175.35 174.68 3iwk s GLN 484 N 1.28 4.42 -0.28 4.03 0.74 -1.26 -1.30 119.66 127.30 3iwk s GLN 484 Ca 0.03 1.43 -0.03 0.00 0.05 0.00 0.00 55.36 56.84 3iwk s GLN 484 Cb -0.14 -3.54 0.03 0.00 1.10 0.00 0.00 33.01 30.46 3iwk s GLN 484 CO -0.11 -0.31 -0.01 0.08 -0.55 0.00 0.00 175.29 174.39 3iwk s VAL 485 N 1.96 3.11 -0.09 1.34 1.01 0.05 -5.00 120.40 122.78 3iwk s VAL 485 Ca 0.49 -1.12 0.04 0.00 0.00 0.00 0.00 61.98 61.40 3iwk s VAL 485 Cb -0.19 -2.67 -0.01 0.00 0.00 0.00 0.00 36.38 33.51 3iwk s VAL 485 CO 0.19 0.05 -0.23 -0.89 0.00 0.00 0.00 175.10 174.21 3iwk s THR 486 N 1.32 2.15 -0.06 3.92 2.01 -1.26 -1.71 115.64 122.01 3iwk s THR 486 Ca -0.02 -1.00 0.02 0.00 0.31 0.00 0.00 61.69 61.00 3iwk s THR 486 Cb -0.18 -1.81 0.01 0.00 0.01 0.00 0.00 72.50 70.53 3iwk s THR 486 CO -0.02 0.56 -0.13 -0.60 -0.69 0.00 0.00 174.62 173.75 3iwk s ARG 487 N 0.15 1.67 -0.22 4.92 3.52 0.35 -5.00 118.95 124.34 3iwk s ARG 487 Ca -0.13 -0.43 -0.29 0.00 -0.13 0.00 0.00 55.73 54.76 3iwk s ARG 487 Cb -0.16 -1.39 0.01 0.00 -1.56 0.00 0.00 34.95 31.84 3iwk s ARG 487 CO 0.07 0.05 1.02 -0.47 -0.81 0.00 0.00 175.30 175.16 3iwk s TYR 488 N 0.58 3.35 -0.63 5.12 5.04 -1.26 -0.78 117.35 128.77 3iwk s TYR 488 Ca -0.13 1.45 0.16 0.00 -2.44 0.00 0.00 57.07 56.11 3iwk s TYR 488 Cb -0.15 -3.24 -0.19 0.00 0.35 0.00 0.00 41.96 38.73 3iwk s TYR 488 CO 0.03 -0.45 0.63 0.25 -1.34 0.00 0.00 175.55 174.67 3iwk n THR 489 N 5.24 0.00 -2.07 4.34 -2.24 -0.20 -4.97 114.28 114.37 3iwk n THR 489 Ca 0.11 -0.17 -0.32 0.00 -2.27 0.00 0.00 64.05 61.40 3iwk n THR 489 Cb 0.46 0.84 0.00 0.00 -2.10 0.00 0.00 70.33 69.53 3iwk n THR 489 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3iwk s SER 490 N -2.77 6.06 0.00 3.42 0.15 -1.21 -4.98 113.70 114.36 3iwk s SER 490 Ca 0.04 1.66 0.17 0.00 0.70 0.00 0.00 55.95 58.52 3iwk s SER 490 Cb 0.12 -2.51 0.36 0.00 -1.71 0.00 0.00 66.02 62.28 3iwk s SER 490 CO 0.67 -0.98 1.28 -0.67 1.20 0.00 0.00 173.24 174.74 3iwk n ASP 491 N -2.12 3.11 -4.79 5.45 4.64 -1.26 -4.97 116.55 116.61 3iwk n ASP 491 Ca 0.08 -1.90 -0.36 0.00 -1.38 0.00 0.00 54.79 51.22 3iwk n ASP 491 Cb 0.53 -0.24 -0.06 0.00 -1.04 0.00 0.00 41.12 40.32 3iwk n ASP 491 CO 0.00 0.00 0.00 -1.61 -0.82 0.00 0.00 177.20 174.77 3iwk s GLU 492 N -1.17 4.42 0.78 -0.67 0.41 -1.26 -5.04 118.70 116.17 3iwk s GLU 492 Ca 0.31 1.31 -0.14 0.00 -0.41 0.00 0.00 54.97 56.04 3iwk s GLU 492 Cb 0.17 -2.60 0.04 0.00 -1.78 0.00 0.00 34.13 29.97 3iwk s GLU 492 CO 0.24 0.12 1.00 -2.30 -0.49 0.00 0.00 175.26 173.84 3iwk n PRO 493 N 0.15 0.28 -0.09 0.39 -0.02 -1.26 -4.93 135.00 129.52 3iwk n PRO 493 Ca 0.04 0.16 -0.09 0.00 -2.02 0.00 0.00 63.50 61.58 3iwk n PRO 493 Cb 0.51 -2.27 -0.02 0.00 -0.02 0.00 0.00 33.50 31.70 3iwk n PRO 493 CO 0.00 0.00 0.00 2.35 1.98 0.00 0.00 175.50 179.83 3iwk h TRP 494 N -0.66 0.41 0.00 6.00 -0.00 -1.99 -3.47 115.95 116.24 3iwk h TRP 494 Ca -0.46 -0.01 0.00 0.00 -0.00 0.00 0.00 58.89 58.42 3iwk h TRP 494 Cb 1.31 -0.13 0.00 0.00 -0.00 0.00 0.00 29.16 30.34 3iwk h TRP 494 CO 0.42 0.34 0.00 0.41 -0.00 0.00 0.00 178.44 179.61 3iwk n GLY 495 N -0.96 0.42 0.13 2.65 0.00 -1.26 -4.95 105.19 101.22 3iwk n GLY 495 Ca -0.02 -1.00 -0.22 0.00 0.00 0.00 0.00 46.02 44.78 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 0.52 -2.47 1.61 2.91 -2.04 -3.47 115.95 113.01 3iwk h TRP 496 Ca 0.00 -0.38 -0.52 0.00 1.13 0.00 0.00 58.89 59.12 3iwk h TRP 496 Cb 0.17 -0.02 -0.02 0.00 -0.51 0.00 0.00 29.16 28.78 3iwk h TRP 496 CO 0.00 1.53 -0.46 0.71 -1.03 0.00 0.00 178.44 179.19 3iwk s TYR 497 N -2.49 3.46 -0.10 2.65 2.02 -1.26 -5.08 117.35 116.56 3iwk s TYR 497 Ca -0.18 0.08 -0.30 0.00 -0.37 0.00 0.00 57.07 56.30 3iwk s TYR 497 Cb 0.04 -1.64 -0.02 0.00 -0.40 0.00 0.00 41.96 39.94 3iwk s TYR 497 CO 0.80 0.50 1.20 -0.65 -1.57 0.00 0.00 175.55 175.83 3iwk s GLN 498 N -3.41 4.31 0.51 -0.62 -1.52 -1.26 -5.01 119.66 112.66 3iwk s GLN 498 Ca 0.34 1.64 -0.22 0.00 -1.95 0.00 0.00 55.36 55.17 3iwk s GLN 498 Cb -0.10 -3.63 -0.07 0.00 -0.22 0.00 0.00 33.01 28.99 3iwk s GLN 498 CO 0.28 -0.53 1.23 -2.30 -0.25 0.00 0.00 175.29 173.72 3iwk n PRO 499 N 5.69 1.58 -1.84 2.91 -0.02 -1.26 -4.89 135.00 137.18 3iwk n PRO 499 Ca 0.12 0.58 -0.41 0.00 -2.02 0.00 0.00 63.50 61.76 3iwk n PRO 499 Cb 0.46 -2.40 -0.01 0.00 -0.02 0.00 0.00 33.50 31.53 3iwk n PRO 499 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 3iwk s PRO 500 N -2.59 4.15 -0.51 0.52 0.02 -1.26 -4.81 135.00 130.53 3iwk s PRO 500 Ca 0.69 2.51 -0.27 0.00 0.02 0.00 0.00 61.00 63.95 3iwk s PRO 500 Cb -0.45 -3.03 -0.04 0.00 0.02 0.00 0.00 34.50 31.00 3iwk s PRO 500 CO 0.52 -0.55 2.05 -1.12 -0.33 0.00 0.00 177.00 177.57 3iwk s SER 501 N 0.28 5.10 0.00 2.53 0.01 -1.26 -5.33 113.70 115.02 3iwk s SER 501 Ca 0.59 0.80 0.00 0.00 1.31 0.00 0.00 55.95 58.66 3iwk s SER 501 Cb -0.46 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.25 3iwk s SER 501 CO 0.51 -2.42 0.33 0.29 0.41 0.00 0.00 173.24 172.35