#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fwk s LYS 6 N 0.00 1.01 0.02 2.12 -2.85 -1.26 -0.68 119.74 118.10 1fwk s LYS 6 Ca 0.00 -0.46 0.02 0.00 -1.00 0.00 0.00 55.97 54.53 1fwk s LYS 6 Cb 0.00 0.45 -0.01 0.00 -2.06 0.00 0.00 37.83 36.21 1fwk s LYS 6 CO 0.00 -0.37 -0.06 0.54 0.10 0.00 0.00 175.35 175.56 1fwk s VAL 7 N -2.97 0.39 -0.06 1.79 0.11 -0.26 -5.00 120.40 114.41 1fwk s VAL 7 Ca -0.02 -0.62 0.05 0.00 -2.93 0.00 0.00 61.98 58.46 1fwk s VAL 7 Cb 0.00 -0.41 -0.01 0.00 -1.53 0.00 0.00 36.38 34.43 1fwk s VAL 7 CO -0.06 -0.16 -0.22 -0.60 -3.33 0.00 0.00 175.10 170.73 1fwk s ARG 8 N -0.84 2.63 0.05 1.54 3.52 -1.26 -1.15 118.95 123.44 1fwk s ARG 8 Ca -0.05 -0.85 0.03 0.00 -0.13 0.00 0.00 55.73 54.73 1fwk s ARG 8 Cb -0.06 -2.24 -0.03 0.00 -1.56 0.00 0.00 34.95 31.06 1fwk s ARG 8 CO -0.00 0.40 -0.09 0.54 -0.81 0.00 0.00 175.30 175.34 1fwk s VAL 9 N -0.20 0.70 -0.22 7.11 0.11 0.12 -0.23 120.40 127.79 1fwk s VAL 9 Ca -0.02 -1.19 -0.05 0.00 -2.93 0.00 0.00 61.98 57.80 1fwk s VAL 9 Cb -0.13 -0.79 -0.02 0.00 -1.53 0.00 0.00 36.38 33.91 1fwk s VAL 9 CO 0.03 -0.37 -0.01 -0.54 -3.33 0.00 0.00 175.10 170.88 1fwk s LYS 10 N -1.74 3.48 -0.23 1.54 1.02 -0.39 -0.91 119.74 122.50 1fwk s LYS 10 Ca -0.07 -0.58 0.00 0.00 0.02 0.00 0.00 55.97 55.35 1fwk s LYS 10 Cb -0.09 -3.08 0.03 0.00 -0.52 0.00 0.00 37.83 34.18 1fwk s LYS 10 CO 0.01 -0.15 -0.11 0.00 -0.92 0.00 0.00 175.35 174.18 1fwk s ALA 11 N 1.39 2.58 0.52 5.17 0.00 -0.18 -2.11 121.76 129.12 1fwk s ALA 11 Ca 0.05 -1.47 -0.17 0.00 0.00 0.00 0.00 51.96 50.37 1fwk s ALA 11 Cb -0.14 -1.54 -0.08 0.00 0.00 0.00 0.00 23.12 21.36 1fwk s ALA 11 CO -0.01 -0.79 0.99 -1.25 0.00 0.00 0.00 175.76 174.70 1fwk s PRO 12 N 1.26 3.91 0.74 0.00 0.04 -1.26 -0.34 135.00 139.36 1fwk s PRO 12 Ca -0.01 0.98 -0.11 0.00 0.04 0.00 0.00 61.00 61.90 1fwk s PRO 12 Cb -0.17 -2.13 0.04 0.00 0.04 0.00 0.00 34.50 32.29 1fwk s PRO 12 CO -0.07 -0.30 1.09 0.00 0.04 0.00 0.00 177.00 177.76 1fwk s THR 14 N -2.84 0.18 -0.20 0.00 -4.23 -0.73 -2.11 115.64 105.71 1fwk s THR 14 Ca 0.62 -1.49 0.01 0.00 -1.18 0.00 0.00 61.69 59.65 1fwk s THR 14 Cb -0.17 -1.25 0.04 0.00 1.34 0.00 0.00 72.50 72.45 1fwk s THR 14 CO 0.54 -0.82 -0.15 -0.55 -0.54 0.00 0.00 174.62 173.09 1fwk s SER 15 N -2.62 3.50 0.33 3.99 0.15 -0.38 -3.42 113.70 115.25 1fwk s SER 15 Ca 0.02 -0.88 0.06 0.00 0.70 0.00 0.00 55.95 55.85 1fwk s SER 15 Cb 0.04 -1.42 -0.01 0.00 -1.71 0.00 0.00 66.02 62.92 1fwk s SER 15 CO -0.08 -0.09 0.47 0.00 1.20 0.00 0.00 173.24 174.74 1fwk s ALA 16 N 1.28 4.17 0.00 5.45 0.00 -1.26 -1.06 121.76 130.35 1fwk s ALA 16 Ca -0.00 -1.40 0.00 0.00 0.00 0.00 0.00 51.96 50.56 1fwk s ALA 16 Cb -0.16 -1.72 0.00 0.00 0.00 0.00 0.00 23.12 21.24 1fwk s ALA 16 CO -0.10 -0.03 0.00 0.09 0.00 0.00 0.00 175.76 175.72 1fwk n ASN 17 N -1.65 0.00 -3.83 0.00 3.02 -0.84 -0.63 115.26 111.34 1fwk n ASN 17 Ca -0.01 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.20 1fwk n ASN 17 Cb 0.58 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.77 1fwk n ASN 17 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1fwk n LEU 18 N 0.00 -2.13 0.00 3.41 4.77 -1.26 -1.44 117.00 120.35 1fwk n LEU 18 Ca 0.00 -1.08 0.00 0.00 -0.03 0.00 0.00 56.01 54.90 1fwk n LEU 18 Cb 0.00 -2.18 0.00 0.00 -2.33 0.00 0.00 43.42 38.91 1fwk n LEU 18 CO 0.00 0.54 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 1fwk n GLY 19 N -1.84 1.44 0.00 -0.72 0.00 -1.26 -3.29 105.19 99.52 1fwk n GLY 19 Ca -0.14 0.12 0.14 0.00 0.00 0.00 0.00 46.02 46.14 1fwk n GLY 19 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1fwk n VAL 20 N 0.00 0.05 -0.58 1.61 0.24 -1.25 -3.55 118.33 114.86 1fwk n VAL 20 Ca 0.00 0.01 -0.01 0.00 -2.04 0.00 0.00 64.34 62.30 1fwk n VAL 20 Cb 0.00 -0.58 0.27 0.00 -1.47 0.00 0.00 33.84 32.07 1fwk n VAL 20 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1fwk n GLY 21 N 0.82 3.05 3.71 7.63 0.00 -0.52 -4.68 105.19 115.20 1fwk n GLY 21 Ca 0.18 -0.77 -0.64 0.00 0.00 0.00 0.00 46.02 44.79 1fwk n GLY 21 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1fwk n PHE 22 N 0.13 1.81 -0.97 1.61 7.35 -1.17 0.17 117.46 126.39 1fwk n PHE 22 Ca 0.29 0.93 0.00 0.00 -0.76 0.00 0.00 57.45 57.92 1fwk n PHE 22 Cb 1.13 -2.31 0.00 0.00 0.35 0.00 0.00 39.48 38.65 1fwk n PHE 22 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 1fwk n ASP 23 N 4.72 -4.47 0.04 -2.13 9.92 -1.26 -4.77 116.55 118.60 1fwk n ASP 23 Ca 0.31 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.57 1fwk n ASP 23 Cb 0.00 -2.31 0.00 0.00 -0.64 0.00 0.00 41.12 38.17 1fwk n ASP 23 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1fwk n VAL 24 N -2.34 0.82 -2.21 2.53 0.31 0.13 -4.80 118.33 112.77 1fwk n VAL 24 Ca 0.00 0.27 -0.33 0.00 -0.01 0.00 0.00 64.34 64.28 1fwk n VAL 24 Cb 0.29 -1.46 -0.01 0.00 -0.91 0.00 0.00 33.84 31.75 1fwk n VAL 24 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1fwk s PHE 25 N -2.00 3.17 -0.13 3.52 2.99 -0.09 -1.15 117.98 124.29 1fwk s PHE 25 Ca 0.00 1.50 -0.25 0.00 0.00 0.00 0.00 56.93 58.18 1fwk s PHE 25 Cb 0.00 -2.93 0.06 0.00 0.00 0.00 0.00 43.02 40.15 1fwk s PHE 25 CO 0.00 -0.81 0.62 0.20 -0.00 0.00 0.00 175.22 175.23 1fwk s GLY 26 N -2.85 -0.48 -0.04 4.36 0.00 -0.52 -1.98 107.32 105.81 1fwk s GLY 26 Ca 0.62 1.41 0.02 0.00 0.00 0.00 0.00 44.72 46.77 1fwk s GLY 26 CO 0.34 1.12 -0.07 -2.27 0.00 0.00 0.00 173.10 172.22 1fwk s LEU 27 N -0.52 1.52 -0.02 0.66 2.96 -0.22 -1.13 118.68 121.92 1fwk s LEU 27 Ca -0.06 -0.17 -0.26 0.00 -0.22 0.00 0.00 54.13 53.42 1fwk s LEU 27 Cb -0.03 -0.53 -0.04 0.00 0.50 0.00 0.00 46.19 46.09 1fwk s LEU 27 CO 0.05 -0.01 0.79 0.00 -1.32 0.00 0.00 176.35 175.87 1fwk s LEU 29 N 0.61 4.04 -0.06 0.00 1.43 -0.90 -0.24 118.68 123.56 1fwk s LEU 29 Ca 0.42 0.41 0.10 0.00 -1.03 0.00 0.00 54.13 54.03 1fwk s LEU 29 Cb -0.19 -3.27 -0.24 0.00 0.03 0.00 0.00 46.19 42.52 1fwk s LEU 29 CO 0.22 -0.28 0.60 1.17 0.23 0.00 0.00 176.35 178.30 1fwk n LYS 30 N -1.76 0.65 -3.91 1.70 4.81 -0.51 -3.71 118.16 115.44 1fwk n LYS 30 Ca -0.05 0.29 -0.11 0.00 -0.87 0.00 0.00 58.31 57.57 1fwk n LYS 30 Cb 0.56 -1.77 -0.11 0.00 0.02 0.00 0.00 35.03 33.73 1fwk n LYS 30 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1fwk s GLU 31 N -2.59 0.31 0.84 1.64 8.01 -1.26 -4.67 118.70 120.98 1fwk s GLU 31 Ca -0.07 -0.36 -0.12 0.00 0.01 0.00 0.00 54.97 54.42 1fwk s GLU 31 Cb 0.08 0.12 0.10 0.00 -4.31 0.00 0.00 34.13 30.12 1fwk s GLU 31 CO 0.82 -0.06 1.17 -2.14 0.01 0.00 0.00 175.26 175.06 1fwk s PRO 32 N -1.06 1.72 0.11 0.39 0.02 -1.26 -4.86 135.00 130.07 1fwk s PRO 32 Ca -0.12 0.15 -0.15 0.00 0.02 0.00 0.00 61.00 60.90 1fwk s PRO 32 Cb -0.07 -1.92 0.03 0.00 0.02 0.00 0.00 34.50 32.56 1fwk s PRO 32 CO 0.00 -1.77 0.38 1.52 -0.33 0.00 0.00 177.00 176.80 1fwk s TYR 33 N -3.50 -0.16 0.23 6.54 -0.85 -1.26 -0.96 117.35 117.37 1fwk s TYR 33 Ca 0.63 -0.15 -0.09 0.00 -0.52 0.00 0.00 57.07 56.94 1fwk s TYR 33 Cb -0.12 0.22 -0.07 0.00 0.38 0.00 0.00 41.96 42.37 1fwk s TYR 33 CO 0.50 -0.67 0.54 -0.51 -1.52 0.00 0.00 175.55 173.89 1fwk s ASP 34 N -2.75 6.59 -0.22 -0.18 1.11 0.54 -2.71 116.67 119.05 1fwk s ASP 34 Ca 0.03 0.87 -0.02 0.00 0.18 0.00 0.00 52.55 53.61 1fwk s ASP 34 Cb 0.02 -2.21 0.01 0.00 1.07 0.00 0.00 42.92 41.81 1fwk s ASP 34 CO -0.11 -0.08 -0.08 -0.69 1.18 0.00 0.00 175.17 175.39 1fwk s VAL 35 N -1.83 2.96 -0.07 -1.27 1.01 -0.13 -1.01 120.40 120.05 1fwk s VAL 35 Ca 0.47 -0.73 0.04 0.00 0.00 0.00 0.00 61.98 61.75 1fwk s VAL 35 Cb -0.11 -2.37 0.00 0.00 0.00 0.00 0.00 36.38 33.90 1fwk s VAL 35 CO 0.22 0.38 -0.20 -0.63 0.00 0.00 0.00 175.10 174.88 1fwk s ILE 36 N 1.40 1.73 -0.08 2.22 1.01 -0.09 -0.81 121.20 126.58 1fwk s ILE 36 Ca 0.04 -0.85 0.04 0.00 0.00 0.00 0.00 60.65 59.88 1fwk s ILE 36 Cb -0.15 -1.50 -0.01 0.00 0.01 0.00 0.00 42.46 40.81 1fwk s ILE 36 CO -0.06 0.49 -0.19 -0.70 0.00 0.00 0.00 174.94 174.48 1fwk s GLU 37 N 0.28 2.81 -0.11 2.79 2.12 -0.03 0.12 118.70 126.69 1fwk s GLU 37 Ca -0.13 -0.79 0.02 0.00 0.36 0.00 0.00 54.97 54.42 1fwk s GLU 37 Cb -0.16 -2.35 0.02 0.00 0.26 0.00 0.00 34.13 31.90 1fwk s GLU 37 CO 0.06 0.37 -0.14 0.08 -0.54 0.00 0.00 175.26 175.09 1fwk s VAL 38 N -0.11 1.44 -0.06 3.70 1.01 -0.30 -0.16 120.40 125.92 1fwk s VAL 38 Ca -0.04 -0.61 0.05 0.00 0.00 0.00 0.00 61.98 61.38 1fwk s VAL 38 Cb -0.14 -1.33 -0.00 0.00 0.00 0.00 0.00 36.38 34.91 1fwk s VAL 38 CO 0.04 0.43 -0.19 -0.70 0.00 0.00 0.00 175.10 174.68 1fwk s GLU 39 N 1.04 2.10 0.23 2.72 2.12 -0.42 -1.10 118.70 125.38 1fwk s GLU 39 Ca -0.06 -0.69 -0.30 0.00 0.36 0.00 0.00 54.97 54.28 1fwk s GLU 39 Cb -0.15 -1.77 -0.09 0.00 0.26 0.00 0.00 34.13 32.39 1fwk s GLU 39 CO -0.02 0.25 1.07 0.00 -0.54 0.00 0.00 175.26 176.01 1fwk s ALA 40 N 0.08 3.37 0.09 6.30 0.00 0.15 -0.92 121.76 130.84 1fwk s ALA 40 Ca -0.06 0.80 0.04 0.00 0.00 0.00 0.00 51.96 52.74 1fwk s ALA 40 Cb -0.13 -3.31 -0.03 0.00 0.00 0.00 0.00 23.12 19.64 1fwk s ALA 40 CO 0.03 -0.11 -0.11 0.96 0.00 0.00 0.00 175.76 176.53 1fwk s ILE 41 N -0.76 0.99 0.23 0.00 -4.36 -0.43 -4.90 121.20 111.98 1fwk s ILE 41 Ca 0.46 -1.52 -0.06 0.00 -0.26 0.00 0.00 60.65 59.27 1fwk s ILE 41 Cb -0.30 -1.24 0.13 0.00 1.25 0.00 0.00 42.46 42.30 1fwk s ILE 41 CO 0.37 -0.45 1.75 0.44 0.24 0.00 0.00 174.94 177.29 1fwk h ASP 42 N 3.81 0.97 -3.56 4.36 3.32 -1.96 0.15 116.42 123.51 1fwk h ASP 42 Ca -0.38 -0.20 -0.52 0.00 0.02 0.00 0.00 57.03 55.95 1fwk h ASP 42 Cb 1.19 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.48 1fwk h ASP 42 CO 0.49 0.94 0.43 1.51 -1.72 0.00 0.00 179.24 180.89 1fwk s ASP 43 N -6.50 7.36 -0.53 6.45 -4.77 -1.26 -4.53 116.67 112.89 1fwk s ASP 43 Ca -0.11 1.97 -0.21 0.00 -3.30 0.00 0.00 52.55 50.90 1fwk s ASP 43 Cb 0.15 -2.60 -0.19 0.00 -1.09 0.00 0.00 42.92 39.19 1fwk s ASP 43 CO 0.83 -0.16 1.79 0.29 0.70 0.00 0.00 175.17 178.63 1fwk n LYS 44 N 2.55 1.08 -3.94 2.11 5.02 -1.26 -3.12 118.16 120.60 1fwk n LYS 44 Ca 0.03 -1.48 -0.10 0.00 -2.02 0.00 0.00 58.31 54.74 1fwk n LYS 44 Cb 0.47 -2.68 -0.10 0.00 -0.02 0.00 0.00 35.03 32.70 1fwk n LYS 44 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1fwk s GLU 45 N 5.31 0.40 -0.28 1.97 2.12 -1.26 -4.93 118.70 122.02 1fwk s GLU 45 Ca 0.54 -0.57 -0.03 0.00 0.36 0.00 0.00 54.97 55.28 1fwk s GLU 45 Cb 0.13 0.15 0.04 0.00 0.26 0.00 0.00 34.13 34.71 1fwk s GLU 45 CO 0.15 -0.08 -0.01 0.42 -0.54 0.00 0.00 175.26 175.20 1fwk s ILE 46 N -1.60 3.10 -0.13 -3.70 1.01 -1.26 -1.52 121.20 117.10 1fwk s ILE 46 Ca -0.14 -1.15 -0.03 0.00 0.00 0.00 0.00 60.65 59.32 1fwk s ILE 46 Cb -0.08 -2.68 -0.03 0.00 0.01 0.00 0.00 42.46 39.68 1fwk s ILE 46 CO -0.01 0.03 -0.01 -0.63 0.00 0.00 0.00 174.94 174.32 1fwk s ILE 47 N 1.32 4.16 -0.04 2.92 1.01 -0.21 -4.63 121.20 125.73 1fwk s ILE 47 Ca -0.02 -0.28 0.03 0.00 0.00 0.00 0.00 60.65 60.38 1fwk s ILE 47 Cb -0.18 -2.80 0.00 0.00 0.01 0.00 0.00 42.46 39.49 1fwk s ILE 47 CO -0.02 0.53 -0.13 -0.63 0.00 0.00 0.00 174.94 174.69 1fwk s ILE 48 N -0.10 1.14 -0.05 2.92 1.01 -1.26 0.15 121.20 125.01 1fwk s ILE 48 Ca 0.03 -0.54 0.04 0.00 0.00 0.00 0.00 60.65 60.19 1fwk s ILE 48 Cb -0.13 -1.00 -0.00 0.00 0.01 0.00 0.00 42.46 41.34 1fwk s ILE 48 CO 0.02 0.34 -0.19 -1.61 0.00 0.00 0.00 174.94 173.50 1fwk s GLU 49 N 0.22 2.07 -0.01 2.79 2.02 -0.52 -4.76 118.70 120.52 1fwk s GLU 49 Ca -0.06 -0.68 0.02 0.00 0.02 0.00 0.00 54.97 54.27 1fwk s GLU 49 Cb -0.11 -1.74 -0.00 0.00 0.10 0.00 0.00 34.13 32.37 1fwk s GLU 49 CO 0.02 0.24 -0.05 0.08 0.02 0.00 0.00 175.26 175.57 1fwk s VAL 50 N 0.10 0.43 -1.54 2.63 1.01 -1.26 -0.49 120.40 121.28 1fwk s VAL 50 Ca -0.07 -0.22 0.29 0.00 0.00 0.00 0.00 61.98 61.99 1fwk s VAL 50 Cb -0.13 -0.38 0.58 0.00 0.00 0.00 0.00 36.38 36.45 1fwk s VAL 50 CO 0.03 0.13 2.03 -0.90 0.00 0.00 0.00 175.10 176.40 1fwk n ASP 51 N 3.07 0.00 -4.29 3.32 5.75 -0.96 -4.55 116.55 118.88 1fwk n ASP 51 Ca -0.14 -0.29 -0.37 0.00 -0.01 0.00 0.00 54.79 53.98 1fwk n ASP 51 Cb 0.57 -0.23 -0.13 0.00 -1.03 0.00 0.00 41.12 40.31 1fwk n ASP 51 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1fwk s ASP 52 N -2.46 5.16 0.00 -1.12 -1.08 -1.26 -4.99 116.67 110.92 1fwk s ASP 52 Ca 0.31 -0.96 0.26 0.00 -0.52 0.00 0.00 52.55 51.64 1fwk s ASP 52 Cb 0.20 -1.85 1.55 0.00 -1.46 0.00 0.00 42.92 41.36 1fwk s ASP 52 CO 0.42 -0.26 1.92 0.29 0.52 0.00 0.00 175.17 178.06 1fwk n LYS 53 N 4.82 0.84 -0.02 4.34 4.76 -1.26 -2.21 118.16 129.43 1fwk n LYS 53 Ca -0.14 0.00 0.13 0.00 -2.87 0.00 0.00 58.31 55.43 1fwk n LYS 53 Cb 0.46 -1.48 0.57 0.00 -1.84 0.00 0.00 35.03 32.74 1fwk n LYS 53 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1fwk n ASN 54 N -0.98 1.04 -4.33 4.39 4.13 -1.26 -4.77 115.26 113.47 1fwk n ASN 54 Ca 0.20 -1.44 -0.33 0.00 1.68 0.00 0.00 54.58 54.68 1fwk n ASN 54 Cb 0.09 -0.03 -0.15 0.00 -1.54 0.00 0.00 39.78 38.15 1fwk n ASN 54 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1fwk s ILE 55 N -1.94 2.90 0.66 2.41 1.01 -0.94 -5.11 121.20 120.19 1fwk s ILE 55 Ca 0.37 -0.70 -0.17 0.00 0.00 0.00 0.00 60.65 60.15 1fwk s ILE 55 Cb 0.19 -2.22 -0.03 0.00 0.01 0.00 0.00 42.46 40.41 1fwk s ILE 55 CO 0.31 0.52 0.93 -2.65 0.00 0.00 0.00 174.94 174.04 1fwk n PRO 56 N 3.73 0.70 -0.00 2.79 -0.02 -1.26 -4.91 135.00 136.03 1fwk n PRO 56 Ca -0.18 0.29 0.03 0.00 -2.02 0.00 0.00 63.50 61.61 1fwk n PRO 56 Cb 0.52 -2.16 -0.04 0.00 -0.02 0.00 0.00 33.50 31.81 1fwk n PRO 56 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1fwk n THR 57 N -2.09 0.00 -1.94 3.45 -2.24 -1.26 -4.54 114.28 105.66 1fwk n THR 57 Ca 0.13 -0.34 -0.43 0.00 -2.27 0.00 0.00 64.05 61.15 1fwk n THR 57 Cb 0.48 0.97 -0.03 0.00 -2.10 0.00 0.00 70.33 69.66 1fwk n THR 57 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1fwk s ASP 58 N -1.65 6.28 0.00 3.42 -1.08 -1.26 -4.22 116.67 118.16 1fwk s ASP 58 Ca 0.02 1.94 0.00 0.00 -0.52 0.00 0.00 52.55 53.99 1fwk s ASP 58 Cb 0.05 -2.53 0.00 0.00 -1.46 0.00 0.00 42.92 38.98 1fwk s ASP 58 CO 0.26 -1.29 0.95 -0.81 0.52 0.00 0.00 175.17 174.80 1fwk n PRO 59 N 7.74 0.00 0.00 4.34 -0.04 -1.26 -0.43 135.00 145.34 1fwk n PRO 59 Ca 0.21 0.45 0.12 0.00 -0.04 0.00 0.00 63.50 64.23 1fwk n PRO 59 Cb 0.44 -1.55 0.06 0.00 -0.04 0.00 0.00 33.50 32.41 1fwk n PRO 59 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1fwk n ASP 60 N -1.45 2.68 -0.01 3.54 8.00 -1.26 -2.92 116.55 125.12 1fwk n ASP 60 Ca -0.00 -1.84 -0.01 0.00 0.71 0.00 0.00 54.79 53.65 1fwk n ASP 60 Cb 0.05 0.16 -0.02 0.00 -0.02 0.00 0.00 41.12 41.30 1fwk n ASP 60 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1fwk n LYS 61 N 0.89 2.80 -2.68 -1.24 5.02 0.42 -4.89 118.16 118.49 1fwk n LYS 61 Ca 0.12 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.99 1fwk n LYS 61 Cb 0.56 -1.06 -0.03 0.00 -0.02 0.00 0.00 35.03 34.48 1fwk n LYS 61 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1fwk s ASN 62 N -3.50 7.25 0.39 4.39 3.84 -0.20 -4.91 114.94 122.20 1fwk s ASN 62 Ca -0.02 1.57 0.14 0.00 0.21 0.00 0.00 52.86 54.76 1fwk s ASN 62 Cb 0.01 -2.56 0.98 0.00 -0.55 0.00 0.00 41.25 39.12 1fwk s ASN 62 CO 0.08 -0.43 1.86 -0.37 -2.79 0.00 0.00 177.10 175.45 1fwk h VAL 63 N 5.04 0.73 -0.95 -5.21 -1.51 -1.91 0.29 116.25 112.74 1fwk h VAL 63 Ca -0.33 -0.18 0.02 0.00 -1.23 0.00 0.00 66.70 64.98 1fwk h VAL 63 Cb 1.16 0.17 -0.05 0.00 -2.13 0.00 0.00 31.29 30.44 1fwk h VAL 63 CO 0.84 0.09 0.63 0.00 -1.23 0.00 0.00 177.57 177.90 1fwk h ALA 64 N 1.61 1.22 -0.32 5.19 0.00 -1.92 0.16 119.26 125.20 1fwk h ALA 64 Ca 0.47 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 55.18 1fwk h ALA 64 Cb 1.00 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1fwk h ALA 64 CO -0.20 0.57 -0.36 0.78 0.00 0.00 0.00 179.25 180.04 1fwk h GLY 65 N 1.26 0.78 0.95 0.00 0.00 -0.66 -0.43 103.07 104.99 1fwk h GLY 65 Ca 0.36 -0.76 -0.06 0.00 0.00 0.00 0.00 47.33 46.87 1fwk h GLY 65 CO -0.09 0.69 0.03 -2.22 0.00 0.00 0.00 176.54 174.96 1fwk h ILE 66 N 0.60 1.25 -0.28 2.60 2.04 -0.63 -1.87 117.51 121.23 1fwk h ILE 66 Ca 0.06 -0.95 -0.06 0.00 1.00 0.00 0.00 64.86 64.91 1fwk h ILE 66 Cb 0.89 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 38.02 1fwk h ILE 66 CO 0.08 0.33 -0.04 0.58 0.00 0.00 0.00 178.15 179.09 1fwk h VAL 67 N 0.56 1.27 -0.65 1.67 2.07 -0.93 -2.73 116.25 117.52 1fwk h VAL 67 Ca 0.12 -1.04 0.01 0.00 0.82 0.00 0.00 66.70 66.61 1fwk h VAL 67 Cb 0.43 1.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 1fwk h VAL 67 CO 0.01 0.33 0.43 0.00 0.02 0.00 0.00 177.57 178.36 1fwk h ALA 68 N 0.79 0.83 -0.11 1.67 0.00 -1.01 -1.96 119.26 119.47 1fwk h ALA 68 Ca 0.07 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1fwk h ALA 68 Cb 0.51 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1fwk h ALA 68 CO 0.02 0.26 0.07 -0.22 0.00 0.00 0.00 179.25 179.39 1fwk h LYS 69 N 0.88 0.15 -0.94 0.00 3.64 -1.33 0.36 116.57 119.33 1fwk h LYS 69 Ca 0.24 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.66 1fwk h LYS 69 Cb -0.10 -0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 31.63 1fwk h LYS 69 CO -0.05 0.11 0.61 -0.22 -2.27 0.00 0.00 179.45 177.63 1fwk h LYS 70 N 0.15 1.10 0.02 1.90 1.63 -1.33 0.42 116.57 120.45 1fwk h LYS 70 Ca 0.04 -0.07 -0.23 0.00 -0.85 0.00 0.00 60.65 59.54 1fwk h LYS 70 Cb -0.01 -0.25 0.00 0.00 -0.60 0.00 0.00 32.23 31.38 1fwk h LYS 70 CO -0.01 0.72 -0.98 0.52 -3.45 0.00 0.00 179.45 176.25 1fwk h MET 71 N 1.13 0.40 0.16 1.90 2.86 -0.88 -1.67 114.93 118.83 1fwk h MET 71 Ca 0.40 -0.45 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 1fwk h MET 71 Cb 0.11 0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.90 1fwk h MET 71 CO -0.15 1.12 -0.08 0.82 1.06 0.00 0.00 176.91 179.68 1fwk h ILE 72 N 0.21 0.85 0.66 -1.22 1.08 0.29 -2.22 117.51 117.16 1fwk h ILE 72 Ca -0.09 -0.03 -0.03 0.00 -0.39 0.00 0.00 64.86 64.32 1fwk h ILE 72 Cb 1.63 0.87 -0.00 0.00 -3.07 0.00 0.00 36.82 36.24 1fwk h ILE 72 CO 0.17 0.01 -0.42 0.44 -0.69 0.00 0.00 178.15 177.66 1fwk h ASP 73 N -0.23 -1.06 -0.88 1.72 5.19 -0.16 -1.21 116.42 119.78 1fwk h ASP 73 Ca -0.02 0.06 0.22 0.00 -0.62 0.00 0.00 57.03 56.66 1fwk h ASP 73 Cb 0.18 0.31 -0.13 0.00 0.18 0.00 0.00 39.33 39.87 1fwk h ASP 73 CO 0.04 -0.64 0.35 0.44 -3.12 0.00 0.00 179.24 176.31 1fwk h ASP 74 N -1.01 0.26 -0.43 6.45 3.32 -1.32 0.15 116.42 123.83 1fwk h ASP 74 Ca -0.09 0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1fwk h ASP 74 Cb 0.81 0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.52 1fwk h ASP 74 CO 0.08 -0.03 0.00 0.49 -1.72 0.00 0.00 179.24 178.07 1fwk n PHE 75 N -5.08 0.57 -4.14 4.55 3.01 -0.84 -4.93 117.46 110.60 1fwk n PHE 75 Ca 0.21 -0.29 -0.31 0.00 1.01 0.00 0.00 57.45 58.08 1fwk n PHE 75 Cb 0.64 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 40.07 1fwk n PHE 75 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1fwk n ASN 76 N 0.85 -0.98 -4.73 4.37 3.02 0.51 -4.86 115.26 113.43 1fwk n ASN 76 Ca 0.16 -1.08 -0.41 0.00 -0.03 0.00 0.00 54.58 53.22 1fwk n ASN 76 Cb 0.40 -2.58 -0.03 0.00 -0.61 0.00 0.00 39.78 36.96 1fwk n ASN 76 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1fwk s ILE 77 N -3.82 3.45 -0.01 2.41 1.01 -0.72 -4.96 121.20 118.56 1fwk s ILE 77 Ca 0.26 1.15 -0.25 0.00 0.00 0.00 0.00 60.65 61.82 1fwk s ILE 77 Cb -0.14 -3.74 -0.19 0.00 0.01 0.00 0.00 42.46 38.40 1fwk s ILE 77 CO 0.93 0.15 1.28 1.23 0.00 0.00 0.00 174.94 178.54 1fwk h GLY 78 N 5.73 -0.12 -0.87 6.18 0.00 -1.90 -3.47 103.07 108.62 1fwk h GLY 78 Ca -0.44 0.04 -0.43 0.00 0.00 0.00 0.00 47.33 46.50 1fwk h GLY 78 CO 0.78 -0.04 0.18 0.54 0.00 0.00 0.00 176.54 178.00 1fwk s LYS 79 N -4.49 -0.34 0.24 4.80 1.02 -1.26 -4.67 119.74 115.03 1fwk s LYS 79 Ca -0.15 0.15 0.02 0.00 0.02 0.00 0.00 55.97 56.00 1fwk s LYS 79 Cb 0.02 -1.68 0.02 0.00 -0.52 0.00 0.00 37.83 35.67 1fwk s LYS 79 CO 0.63 -3.17 0.15 0.41 -0.92 0.00 0.00 175.35 172.45 1fwk n GLY 80 N -1.27 3.08 3.15 -3.33 0.00 0.51 -4.79 105.19 102.54 1fwk n GLY 80 Ca 0.10 -2.24 -0.11 0.00 0.00 0.00 0.00 46.02 43.77 1fwk n GLY 80 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1fwk s VAL 81 N -1.33 0.10 -0.18 1.61 -7.23 -0.58 -1.31 120.40 111.48 1fwk s VAL 81 Ca 0.12 -0.82 -0.02 0.00 -1.81 0.00 0.00 61.98 59.45 1fwk s VAL 81 Cb -0.01 -0.72 -0.01 0.00 0.56 0.00 0.00 36.38 36.20 1fwk s VAL 81 CO 0.07 -0.45 -0.10 -0.75 -0.31 0.00 0.00 175.10 173.56 1fwk s LYS 82 N -2.07 3.33 -0.20 4.82 2.20 -0.09 -1.04 119.74 126.69 1fwk s LYS 82 Ca -0.09 -0.68 -0.02 0.00 -0.36 0.00 0.00 55.97 54.82 1fwk s LYS 82 Cb -0.04 -2.80 -0.00 0.00 -1.51 0.00 0.00 37.83 33.48 1fwk s LYS 82 CO -0.01 -0.04 -0.09 0.42 -0.36 0.00 0.00 175.35 175.27 1fwk s ILE 83 N 1.01 3.05 -0.22 5.43 1.01 0.12 -1.30 121.20 130.30 1fwk s ILE 83 Ca -0.01 -0.61 -0.04 0.00 0.00 0.00 0.00 60.65 59.99 1fwk s ILE 83 Cb -0.15 -2.36 -0.01 0.00 0.01 0.00 0.00 42.46 39.95 1fwk s ILE 83 CO -0.01 0.46 -0.02 -0.89 0.00 0.00 0.00 174.94 174.48 1fwk s THR 84 N 1.29 3.55 -0.17 2.92 2.01 0.77 -1.43 115.64 124.58 1fwk s THR 84 Ca 0.03 -0.43 -0.02 0.00 0.31 0.00 0.00 61.69 61.59 1fwk s THR 84 Cb -0.14 -2.62 -0.01 0.00 0.01 0.00 0.00 72.50 69.73 1fwk s THR 84 CO -0.04 0.41 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.57 1fwk s ILE 85 N 1.45 3.18 -0.33 1.82 1.01 0.36 -0.85 121.20 127.84 1fwk s ILE 85 Ca 0.05 -0.59 -0.05 0.00 0.00 0.00 0.00 60.65 60.06 1fwk s ILE 85 Cb -0.14 -2.38 0.05 0.00 0.01 0.00 0.00 42.46 39.99 1fwk s ILE 85 CO -0.02 0.49 0.08 -0.54 0.00 0.00 0.00 174.94 174.95 1fwk s LYS 86 N 0.81 2.55 0.26 2.79 1.02 0.01 -2.27 119.74 124.91 1fwk s LYS 86 Ca -0.03 -1.23 -0.29 0.00 0.02 0.00 0.00 55.97 54.43 1fwk s LYS 86 Cb -0.15 -3.39 -0.09 0.00 -0.52 0.00 0.00 37.83 33.67 1fwk s LYS 86 CO 0.01 -0.67 1.20 0.15 -0.92 0.00 0.00 175.35 175.12 1fwk s LYS 87 N 1.35 4.51 -0.06 1.68 -0.14 -1.26 -0.96 119.74 124.86 1fwk s LYS 87 Ca -0.02 1.96 -0.02 0.00 -1.36 0.00 0.00 55.97 56.52 1fwk s LYS 87 Cb -0.20 -3.17 -0.27 0.00 -1.68 0.00 0.00 37.83 32.52 1fwk s LYS 87 CO 0.01 -0.01 0.61 0.78 -0.76 0.00 0.00 175.35 175.98 1fwk h GLY 88 N 4.18 0.26 -3.62 -3.33 0.00 -1.87 -3.47 103.07 95.23 1fwk h GLY 88 Ca -0.47 -0.66 -0.08 0.00 0.00 0.00 0.00 47.33 46.12 1fwk h GLY 88 CO 0.69 0.58 -0.18 0.54 0.00 0.00 0.00 176.54 178.17 1fwk s VAL 89 N -2.59 0.08 0.62 4.60 0.11 -1.26 -4.71 120.40 117.25 1fwk s VAL 89 Ca -0.14 -0.63 -0.16 0.00 -2.93 0.00 0.00 61.98 58.12 1fwk s VAL 89 Cb 0.07 -1.01 -0.02 0.00 -1.53 0.00 0.00 36.38 33.88 1fwk s VAL 89 CO 0.82 -0.35 1.10 -0.75 -3.33 0.00 0.00 175.10 172.59 1fwk s LYS 90 N -2.85 3.04 0.80 1.54 2.47 -1.26 -4.81 119.74 118.67 1fwk s LYS 90 Ca -0.03 1.37 -0.11 0.00 -1.56 0.00 0.00 55.97 55.64 1fwk s LYS 90 Cb 0.00 -1.98 0.07 0.00 -1.46 0.00 0.00 37.83 34.46 1fwk s LYS 90 CO -0.05 -1.06 1.09 0.00 0.16 0.00 0.00 175.35 175.49 1fwk s ALA 91 N -2.28 2.14 -0.49 3.13 0.00 -1.26 -3.91 121.76 119.09 1fwk s ALA 91 Ca 0.67 -0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.57 1fwk s ALA 91 Cb -0.20 -3.16 0.00 0.00 0.00 0.00 0.00 23.12 19.76 1fwk s ALA 91 CO 0.38 -1.81 0.00 0.41 0.00 0.00 0.00 175.76 174.74 1fwk n GLY 92 N -1.71 0.71 0.63 0.00 0.00 -1.26 -4.90 105.19 98.65 1fwk n GLY 92 Ca 0.07 -0.42 0.08 0.00 0.00 0.00 0.00 46.02 45.75 1fwk n GLY 92 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1fwk n SER 93 N 0.33 2.31 0.00 1.61 3.41 -1.25 -1.96 113.62 118.06 1fwk n SER 93 Ca -0.05 -1.65 0.00 0.00 -0.26 0.00 0.00 58.87 56.91 1fwk n SER 93 Cb 0.22 -0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 1fwk n SER 93 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1fwk n GLY 94 N 0.88 0.59 1.30 5.00 0.00 -0.92 -1.51 105.19 110.54 1fwk n GLY 94 Ca 0.09 -0.07 0.03 0.00 0.00 0.00 0.00 46.02 46.08 1fwk n GLY 94 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1fwk n LEU 95 N 0.00 4.65 -3.65 0.99 4.77 -1.26 -3.72 117.00 118.79 1fwk n LEU 95 Ca 0.00 -3.16 -0.21 0.00 -0.03 0.00 0.00 56.01 52.61 1fwk n LEU 95 Cb 0.00 -0.62 0.05 0.00 -2.33 0.00 0.00 43.42 40.52 1fwk n LEU 95 CO 0.00 0.78 0.01 0.61 -1.33 0.00 0.00 177.39 177.46 1fwk n GLY 96 N -0.37 -0.34 0.06 -0.72 0.00 -1.22 -1.77 105.19 100.82 1fwk n GLY 96 Ca 0.28 0.13 -0.12 0.00 0.00 0.00 0.00 46.02 46.31 1fwk n GLY 96 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1fwk h SER 97 N -1.95 0.04 0.04 1.61 0.87 -1.87 -0.13 113.55 112.16 1fwk h SER 97 Ca -0.60 -0.24 -0.07 0.00 -1.23 0.00 0.00 61.79 59.65 1fwk h SER 97 Cb 1.36 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 63.29 1fwk h SER 97 CO 0.56 0.28 -0.20 0.77 -0.53 0.00 0.00 176.83 177.71 1fwk h SER 98 N -0.19 0.29 -0.76 6.23 4.64 -1.92 -2.39 113.55 119.45 1fwk h SER 98 Ca 0.01 -0.08 -0.02 0.00 -0.47 0.00 0.00 61.79 61.23 1fwk h SER 98 Cb 0.25 -0.08 -0.04 0.00 -0.31 0.00 0.00 62.40 62.23 1fwk h SER 98 CO 0.00 0.50 0.39 0.00 -0.87 0.00 0.00 176.83 176.85 1fwk h ALA 99 N 1.53 1.23 -0.30 5.18 0.00 -1.87 0.20 119.26 125.23 1fwk h ALA 99 Ca 0.05 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.86 1fwk h ALA 99 Cb 0.51 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 1fwk h ALA 99 CO 0.03 0.60 0.05 0.00 0.00 0.00 0.00 179.25 179.93 1fwk h ALA 100 N 1.34 0.30 -0.40 0.00 0.00 -0.49 -0.40 119.26 119.61 1fwk h ALA 100 Ca 0.27 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.19 1fwk h ALA 100 Cb 0.08 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1fwk h ALA 100 CO -0.04 -0.36 0.05 0.77 0.00 0.00 0.00 179.25 179.66 1fwk h SER 101 N 0.15 0.64 -0.32 0.00 0.02 -1.36 0.40 113.55 113.08 1fwk h SER 101 Ca 0.14 -0.27 -0.01 0.00 -0.84 0.00 0.00 61.79 60.80 1fwk h SER 101 Cb 0.16 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.51 1fwk h SER 101 CO -0.19 0.76 0.16 0.28 -1.14 0.00 0.00 176.83 176.70 1fwk h SER 102 N 0.51 0.41 -0.20 3.07 0.02 -0.68 -0.56 113.55 116.13 1fwk h SER 102 Ca 0.12 -0.11 -0.16 0.00 -0.84 0.00 0.00 61.79 60.80 1fwk h SER 102 Cb 0.40 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.84 1fwk h SER 102 CO 0.01 0.41 -0.51 0.00 -1.14 0.00 0.00 176.83 175.60 1fwk h ALA 103 N 1.02 0.33 -0.77 3.77 0.00 -1.08 -0.90 119.26 121.63 1fwk h ALA 103 Ca 0.11 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 1fwk h ALA 103 Cb 0.10 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1fwk h ALA 103 CO -0.02 0.51 0.45 0.78 0.00 0.00 0.00 179.25 180.98 1fwk h GLY 104 N 0.40 1.14 0.76 0.00 0.00 -0.86 -0.69 103.07 103.82 1fwk h GLY 104 Ca -0.01 -0.49 -0.02 0.00 0.00 0.00 0.00 47.33 46.81 1fwk h GLY 104 CO 0.11 0.48 -0.00 -0.84 0.00 0.00 0.00 176.54 176.28 1fwk h THR 105 N 1.07 1.26 -0.86 4.70 2.02 -1.05 0.22 112.91 120.27 1fwk h THR 105 Ca 0.28 -0.83 0.07 0.00 0.77 0.00 0.00 66.41 66.69 1fwk h THR 105 Cb -0.01 1.59 -0.06 0.00 -1.74 0.00 0.00 68.15 67.93 1fwk h THR 105 CO -0.05 0.24 0.53 0.00 0.37 0.00 0.00 175.52 176.61 1fwk h ALA 106 N 0.74 1.19 -0.32 6.16 0.00 -0.94 0.92 119.26 127.01 1fwk h ALA 106 Ca 0.03 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.80 1fwk h ALA 106 Cb 0.37 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1fwk h ALA 106 CO 0.01 0.24 -0.38 -0.92 0.00 0.00 0.00 179.25 178.20 1fwk h TYR 107 N 0.94 0.88 -0.04 0.00 3.20 -0.95 -2.12 116.97 118.89 1fwk h TYR 107 Ca 0.38 -0.25 -0.00 0.00 3.14 0.00 0.00 58.73 62.00 1fwk h TYR 107 Cb 0.22 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.30 1fwk h TYR 107 CO -0.04 1.01 0.01 0.00 -1.64 0.00 0.00 178.16 177.50 1fwk h ALA 108 N 0.96 0.05 -0.45 1.82 0.00 0.27 -1.40 119.26 120.51 1fwk h ALA 108 Ca 0.05 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 54.90 1fwk h ALA 108 Cb 0.92 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.64 1fwk h ALA 108 CO 0.08 -0.33 0.13 0.82 0.00 0.00 0.00 179.25 179.96 1fwk h ILE 109 N -0.18 0.81 -0.84 0.00 1.08 -0.83 0.20 117.51 117.75 1fwk h ILE 109 Ca 0.01 -0.10 0.07 0.00 -0.39 0.00 0.00 64.86 64.45 1fwk h ILE 109 Cb 0.25 0.50 -0.06 0.00 -3.07 0.00 0.00 36.82 34.44 1fwk h ILE 109 CO 0.00 0.05 0.55 -1.13 -0.69 0.00 0.00 178.15 176.93 1fwk h ASN 110 N 0.28 0.80 0.11 1.72 -1.24 -1.15 -1.79 115.58 114.31 1fwk h ASN 110 Ca 0.22 0.01 -0.01 0.00 0.71 0.00 0.00 56.30 57.23 1fwk h ASN 110 Cb 0.25 -0.16 0.00 0.00 0.73 0.00 0.00 38.32 39.14 1fwk h ASN 110 CO -0.25 0.51 -0.05 -0.33 -1.29 0.00 0.00 177.43 176.01 1fwk h GLU 111 N 0.90 -0.15 -0.28 6.67 4.39 -0.07 -2.21 114.58 123.84 1fwk h GLU 111 Ca 0.37 0.01 0.06 0.00 0.34 0.00 0.00 59.36 60.14 1fwk h GLU 111 Cb 0.26 0.03 -0.08 0.00 -0.10 0.00 0.00 28.75 28.87 1fwk h GLU 111 CO -0.14 0.32 -0.35 1.25 -1.16 0.00 0.00 179.01 178.94 1fwk h LEU 112 N -0.90 -1.13 -2.68 1.33 5.85 -0.52 -2.44 115.31 114.82 1fwk h LEU 112 Ca -0.02 0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.88 1fwk h LEU 112 Cb 0.54 0.50 0.00 0.00 0.37 0.00 0.00 40.66 42.06 1fwk h LEU 112 CO 0.03 -0.35 0.00 0.49 -0.34 0.00 0.00 178.44 178.26 1fwk n PHE 113 N -5.42 1.37 -4.11 1.25 3.01 -0.69 -4.79 117.46 108.08 1fwk n PHE 113 Ca -0.01 -0.49 -0.33 0.00 1.01 0.00 0.00 57.45 57.63 1fwk n PHE 113 Cb 0.34 -0.34 -0.04 0.00 -0.01 0.00 0.00 39.48 39.43 1fwk n PHE 113 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1fwk n LYS 114 N 0.53 -1.45 0.00 -1.08 4.01 -0.92 -4.88 118.16 114.36 1fwk n LYS 114 Ca 0.19 0.20 0.14 0.00 -0.51 0.00 0.00 58.31 58.33 1fwk n LYS 114 Cb 0.85 -3.66 0.58 0.00 -0.51 0.00 0.00 35.03 32.29 1fwk n LYS 114 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1fwk n LEU 115 N -4.61 0.10 -2.64 -0.35 4.77 -0.85 -4.93 117.00 108.49 1fwk n LEU 115 Ca -0.26 0.38 -0.13 0.00 -0.03 0.00 0.00 56.01 55.97 1fwk n LEU 115 Cb 0.66 -0.43 -0.00 0.00 -2.33 0.00 0.00 43.42 41.31 1fwk n LEU 115 CO 0.78 0.02 -0.11 0.59 -1.33 0.00 0.00 177.39 177.34 1fwk n ASN 116 N -1.46 -3.53 -4.78 -1.43 3.02 -1.26 -4.94 115.26 100.89 1fwk n ASN 116 Ca 0.08 0.11 -0.37 0.00 -0.03 0.00 0.00 54.58 54.37 1fwk n ASN 116 Cb 0.33 -3.00 -0.04 0.00 -0.61 0.00 0.00 39.78 36.45 1fwk n ASN 116 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1fwk s LEU 117 N -5.72 4.25 0.79 3.41 1.02 -1.26 -5.05 118.68 116.11 1fwk s LEU 117 Ca 0.08 2.05 -0.11 0.00 0.02 0.00 0.00 54.13 56.17 1fwk s LEU 117 Cb -0.04 -4.05 0.06 0.00 0.02 0.00 0.00 46.19 42.18 1fwk s LEU 117 CO 0.10 -0.36 1.10 1.51 0.02 0.00 0.00 176.35 178.72 1fwk s ASP 118 N -1.45 4.59 0.26 2.29 3.84 -1.26 -4.85 116.67 120.10 1fwk s ASP 118 Ca 0.54 1.26 -0.04 0.00 -0.00 0.00 0.00 52.55 54.31 1fwk s ASP 118 Cb -0.23 -2.00 0.34 0.00 -1.38 0.00 0.00 42.92 39.65 1fwk s ASP 118 CO 0.29 -1.90 1.92 0.11 -0.00 0.00 0.00 175.17 175.59 1fwk h LYS 119 N -1.04 1.23 -0.38 2.11 1.57 -1.99 -2.12 116.57 115.94 1fwk h LYS 119 Ca -0.47 -0.07 0.03 0.00 -1.87 0.00 0.00 60.65 58.27 1fwk h LYS 119 Cb 1.27 -0.28 -0.03 0.00 0.08 0.00 0.00 32.23 33.27 1fwk h LYS 119 CO 0.60 0.81 0.19 1.25 -0.57 0.00 0.00 179.45 181.73 1fwk h LEU 120 N 1.27 0.27 -1.08 2.94 5.85 -1.98 -0.96 115.31 121.62 1fwk h LEU 120 Ca 0.38 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 59.11 1fwk h LEU 120 Cb -0.05 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 40.91 1fwk h LEU 120 CO -0.11 0.20 0.51 0.50 -0.34 0.00 0.00 178.44 179.21 1fwk h LYS 121 N 0.38 1.14 -0.86 1.25 1.63 -1.77 0.39 116.57 118.74 1fwk h LYS 121 Ca 0.16 -0.10 -0.03 0.00 -0.85 0.00 0.00 60.65 59.83 1fwk h LYS 121 Cb 0.07 -0.24 -0.04 0.00 -0.60 0.00 0.00 32.23 31.42 1fwk h LYS 121 CO -0.12 0.80 0.42 -0.07 -3.45 0.00 0.00 179.45 177.03 1fwk h LEU 122 N 1.16 1.12 -0.54 5.20 3.38 -0.84 -0.23 115.31 124.56 1fwk h LEU 122 Ca 0.30 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 58.11 1fwk h LEU 122 Cb -0.06 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.38 1fwk h LEU 122 CO -0.06 0.93 0.20 0.58 0.09 0.00 0.00 178.44 180.18 1fwk h VAL 123 N 1.22 1.23 0.01 1.22 2.07 -0.34 0.57 116.25 122.24 1fwk h VAL 123 Ca 0.30 -0.73 0.01 0.00 0.82 0.00 0.00 66.70 67.10 1fwk h VAL 123 Cb 0.10 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 1fwk h VAL 123 CO -0.04 0.28 -0.09 -0.78 0.02 0.00 0.00 177.57 176.96 1fwk h ASP 124 N 0.75 -0.24 -0.59 0.57 3.58 -0.38 0.17 116.42 120.28 1fwk h ASP 124 Ca 0.18 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.67 1fwk h ASP 124 Cb 0.23 0.10 -0.03 0.00 1.72 0.00 0.00 39.33 41.36 1fwk h ASP 124 CO -0.01 -0.13 0.38 1.88 -2.88 0.00 0.00 179.24 178.48 1fwk h TYR 125 N -0.16 0.75 -0.28 0.28 0.99 -0.86 -2.33 116.97 115.36 1fwk h TYR 125 Ca 0.03 0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.76 1fwk h TYR 125 Cb 0.19 -0.25 -0.01 0.00 1.00 0.00 0.00 36.73 37.65 1fwk h TYR 125 CO -0.15 0.48 0.11 0.00 -0.00 0.00 0.00 178.16 178.61 1fwk h ALA 126 N 1.20 1.68 0.00 3.88 0.00 -0.60 -1.76 119.26 123.66 1fwk h ALA 126 Ca 0.21 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1fwk h ALA 126 Cb -0.07 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 1fwk h ALA 126 CO -0.04 0.26 -0.00 0.66 0.00 0.00 0.00 179.25 180.12 1fwk h SER 127 N 0.39 0.00 0.21 0.00 4.64 -0.38 -0.26 113.55 118.15 1fwk h SER 127 Ca 0.10 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.35 1fwk h SER 127 Cb 0.08 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.16 1fwk h SER 127 CO -0.01 0.00 -0.28 1.88 -0.87 0.00 0.00 176.83 177.56 1fwk h TYR 128 N 0.00 0.13 -0.59 4.77 0.99 -1.35 -0.64 116.97 120.27 1fwk h TYR 128 Ca -0.00 -0.02 -0.06 0.00 2.00 0.00 0.00 58.73 60.64 1fwk h TYR 128 Cb 0.17 -0.03 -0.03 0.00 1.00 0.00 0.00 36.73 37.84 1fwk h TYR 128 CO 0.00 0.39 0.11 0.78 -0.00 0.00 0.00 178.16 179.44 1fwk h GLY 129 N 0.94 1.02 1.86 3.88 0.00 -1.17 -2.10 103.07 107.50 1fwk h GLY 129 Ca 0.02 -0.63 -0.13 0.00 0.00 0.00 0.00 47.33 46.58 1fwk h GLY 129 CO 0.04 0.59 -0.58 0.83 0.00 0.00 0.00 176.54 177.42 1fwk h GLU 130 N 0.90 0.15 -0.45 4.80 4.39 -1.28 -0.50 114.58 122.58 1fwk h GLU 130 Ca 0.19 -0.10 -0.09 0.00 0.34 0.00 0.00 59.36 59.70 1fwk h GLU 130 Cb 0.37 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.02 1fwk h GLU 130 CO 0.01 0.69 -0.08 1.25 -1.16 0.00 0.00 179.01 179.72 1fwk h LEU 131 N 0.11 0.77 0.03 1.33 5.85 -0.78 0.08 115.31 122.70 1fwk h LEU 131 Ca -0.00 -0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.50 1fwk h LEU 131 Cb 1.06 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.88 1fwk h LEU 131 CO 0.08 0.88 -0.02 0.00 -0.34 0.00 0.00 178.44 179.05 1fwk h ALA 132 N 1.20 -0.05 0.00 1.25 0.00 -1.17 -1.26 119.26 119.24 1fwk h ALA 132 Ca 0.13 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1fwk h ALA 132 Cb 0.55 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1fwk h ALA 132 CO 0.03 -0.17 0.00 -1.13 0.00 0.00 0.00 179.25 177.99 1fwk n SER 133 N -4.78 0.00 0.00 0.00 3.41 -0.22 -4.03 113.62 108.00 1fwk n SER 133 Ca -0.09 0.24 0.00 0.00 -0.26 0.00 0.00 58.87 58.77 1fwk n SER 133 Cb 0.33 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 63.89 1fwk n SER 133 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1fwk n SER 134 N -1.39 0.03 0.00 4.04 3.41 0.01 -4.96 113.62 114.76 1fwk n SER 134 Ca 0.07 -0.72 0.00 0.00 -0.26 0.00 0.00 58.87 57.97 1fwk n SER 134 Cb 0.20 0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 1fwk n SER 134 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1fwk n GLY 135 N 0.01 2.46 3.01 5.00 0.00 -0.47 -5.00 105.19 110.20 1fwk n GLY 135 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 1fwk n GLY 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1fwk s ALA 136 N -2.77 0.65 -1.53 4.61 0.00 -1.24 -4.96 121.76 116.52 1fwk s ALA 136 Ca 0.00 -0.41 -0.09 0.00 0.00 0.00 0.00 51.96 51.45 1fwk s ALA 136 Cb 0.00 -0.13 -0.02 0.00 0.00 0.00 0.00 23.12 22.97 1fwk s ALA 136 CO 0.00 0.14 2.71 1.17 0.00 0.00 0.00 175.76 179.78 1fwk n LYS 137 N 2.64 3.81 -2.87 0.00 4.81 -1.26 -2.60 118.16 122.69 1fwk n LYS 137 Ca -0.15 -2.58 -0.39 0.00 -0.87 0.00 0.00 58.31 54.32 1fwk n LYS 137 Cb 0.57 -2.82 -0.06 0.00 0.02 0.00 0.00 35.03 32.74 1fwk n LYS 137 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 1fwk s HIS 138 N 1.47 3.91 -0.74 5.64 3.76 -1.26 -4.93 115.29 123.15 1fwk s HIS 138 Ca 0.63 1.76 0.07 0.00 -0.15 0.00 0.00 55.06 57.37 1fwk s HIS 138 Cb 0.17 -2.87 0.11 0.00 1.11 0.00 0.00 32.58 31.10 1fwk s HIS 138 CO -0.07 0.45 0.90 0.00 -0.85 0.00 0.00 174.74 175.18 1fwk n ALA 139 N 1.41 2.33 0.34 -1.40 0.00 -1.26 -4.70 120.51 117.23 1fwk n ALA 139 Ca -0.03 -0.78 0.09 0.00 0.00 0.00 0.00 53.44 52.72 1fwk n ALA 139 Cb 0.48 -0.25 0.38 0.00 0.00 0.00 0.00 19.45 20.07 1fwk n ALA 139 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1fwk n ASP 140 N 0.28 0.35 -0.11 0.00 5.75 -1.26 -0.45 116.55 121.10 1fwk n ASP 140 Ca 0.05 0.61 -0.16 0.00 -0.01 0.00 0.00 54.79 55.28 1fwk n ASP 140 Cb 0.25 -0.67 -0.10 0.00 -1.03 0.00 0.00 41.12 39.57 1fwk n ASP 140 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1fwk n ASN 141 N -1.91 2.24 0.21 -1.12 3.02 -1.26 -4.40 115.26 112.04 1fwk n ASN 141 Ca 0.02 -0.09 0.08 0.00 -0.03 0.00 0.00 54.58 54.56 1fwk n ASN 141 Cb 0.15 -0.37 0.40 0.00 -0.61 0.00 0.00 39.78 39.35 1fwk n ASN 141 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 1fwk h VAL 142 N -0.06 0.70 0.17 2.41 -1.51 -1.81 -2.57 116.25 113.59 1fwk h VAL 142 Ca -0.50 -1.29 -0.01 0.00 -1.23 0.00 0.00 66.70 63.67 1fwk h VAL 142 Cb 1.75 1.83 0.00 0.00 -2.13 0.00 0.00 31.29 32.74 1fwk h VAL 142 CO -0.10 0.28 -0.08 0.00 -1.23 0.00 0.00 177.57 176.44 1fwk h ALA 143 N 1.71 -0.23 -0.02 5.19 0.00 -0.98 -1.64 119.26 123.28 1fwk h ALA 143 Ca -0.00 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.70 1fwk h ALA 143 Cb 0.81 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1fwk h ALA 143 CO 0.04 -0.57 -0.50 -1.00 0.00 0.00 0.00 179.25 177.21 1fwk h PRO 144 N -0.35 0.04 -0.49 0.00 0.13 -1.76 -0.09 132.00 129.49 1fwk h PRO 144 Ca -0.02 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 65.07 1fwk h PRO 144 Cb 0.27 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.38 1fwk h PRO 144 CO 0.04 0.53 0.24 0.00 -0.23 0.00 0.00 178.00 178.58 1fwk h ALA 145 N 1.46 1.51 0.00 -0.56 0.00 -1.25 0.90 119.26 121.32 1fwk h ALA 145 Ca -0.00 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1fwk h ALA 145 Cb 0.90 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1fwk h ALA 145 CO 0.07 0.40 -0.30 0.82 0.00 0.00 0.00 179.25 180.23 1fwk h ILE 146 N 0.68 1.17 0.00 0.00 1.08 -0.96 0.86 117.51 120.34 1fwk h ILE 146 Ca 0.17 -1.98 -0.09 0.00 -0.39 0.00 0.00 64.86 62.58 1fwk h ILE 146 Cb 0.06 2.31 -0.01 0.00 -3.07 0.00 0.00 36.82 36.11 1fwk h ILE 146 CO -0.02 0.39 -0.41 -0.26 -0.69 0.00 0.00 178.15 177.16 1fwk h PHE 147 N -1.00 0.00 -0.67 1.37 -1.00 -1.02 -3.36 116.94 111.26 1fwk h PHE 147 Ca -0.07 0.00 0.08 0.00 2.81 0.00 0.00 57.97 60.78 1fwk h PHE 147 Cb 0.85 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.39 1fwk h PHE 147 CO 0.16 0.41 -0.16 0.41 -1.61 0.00 0.00 178.31 177.53 1fwk n GLY 148 N 0.53 -1.83 7.00 -1.45 0.00 0.31 -4.68 105.19 105.06 1fwk n GLY 148 Ca 0.00 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.59 1fwk n GLY 148 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1fwk n GLY 149 N -2.43 2.27 3.45 -0.02 0.00 -0.55 -4.66 105.19 103.25 1fwk n GLY 149 Ca -0.00 -0.51 -0.33 0.00 0.00 0.00 0.00 46.02 45.18 1fwk n GLY 149 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1fwk s PHE 150 N 0.00 2.73 0.10 1.61 5.36 -0.87 -0.71 117.98 126.20 1fwk s PHE 150 Ca 0.00 -0.29 0.04 0.00 -0.96 0.00 0.00 56.93 55.72 1fwk s PHE 150 Cb 0.00 -1.68 -0.04 0.00 -0.34 0.00 0.00 43.02 40.96 1fwk s PHE 150 CO 0.00 0.08 -0.10 0.95 -1.46 0.00 0.00 175.22 174.69 1fwk s THR 151 N -0.45 0.97 -0.10 0.12 -4.23 -0.29 -0.46 115.64 111.20 1fwk s THR 151 Ca 0.05 -1.70 0.00 0.00 -1.18 0.00 0.00 61.69 58.87 1fwk s THR 151 Cb -0.12 -1.43 0.02 0.00 1.34 0.00 0.00 72.50 72.31 1fwk s THR 151 CO 0.02 -0.58 -0.10 -0.04 -0.54 0.00 0.00 174.62 173.38 1fwk s MET 152 N -2.92 1.68 -0.47 3.99 1.00 -0.02 -1.44 119.30 121.13 1fwk s MET 152 Ca 0.07 -0.34 -0.21 0.00 0.00 0.00 0.00 55.69 55.21 1fwk s MET 152 Cb -0.02 -1.61 0.03 0.00 0.00 0.00 0.00 34.83 33.24 1fwk s MET 152 CO -0.00 -0.18 0.68 0.08 0.00 0.00 0.00 175.02 175.60 1fwk s VAL 153 N 1.38 4.78 -1.61 -6.03 1.01 -0.30 -0.67 120.40 118.96 1fwk s VAL 153 Ca -0.01 0.00 0.15 0.00 0.00 0.00 0.00 61.98 62.13 1fwk s VAL 153 Cb -0.14 -4.27 0.28 0.00 0.00 0.00 0.00 36.38 32.26 1fwk s VAL 153 CO -0.05 -0.71 1.18 0.35 0.00 0.00 0.00 175.10 175.87 1fwk n THR 154 N 5.85 0.52 -3.62 3.92 -2.24 -0.87 -4.63 114.28 113.21 1fwk n THR 154 Ca -0.02 -0.76 -0.07 0.00 -2.27 0.00 0.00 64.05 60.93 1fwk n THR 154 Cb 0.47 0.90 -0.06 0.00 -2.10 0.00 0.00 70.33 69.54 1fwk n THR 154 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1fwk s ASN 155 N -1.14 -0.26 0.00 3.42 3.84 -1.24 -4.93 114.94 114.62 1fwk s ASN 155 Ca 0.26 0.40 0.06 0.00 0.21 0.00 0.00 52.86 53.79 1fwk s ASN 155 Cb 0.15 0.37 -0.06 0.00 -0.55 0.00 0.00 41.25 41.16 1fwk s ASN 155 CO 0.21 -0.16 0.30 -1.22 -2.79 0.00 0.00 177.10 173.44 1fwk n TYR 156 N 1.29 0.00 -3.65 0.43 4.02 -1.26 -0.94 117.16 117.04 1fwk n TYR 156 Ca -0.09 0.00 -0.29 0.00 -0.01 0.00 0.00 57.90 57.51 1fwk n TYR 156 Cb 0.57 0.00 -0.13 0.00 -0.02 0.00 0.00 39.34 39.77 1fwk n TYR 156 CO 0.00 0.00 0.00 -1.83 -1.01 0.00 0.00 176.86 174.02 1fwk s GLU 157 N -1.52 1.16 0.49 -0.72 1.03 -1.26 -3.12 118.70 114.76 1fwk s GLU 157 Ca 0.03 -1.92 -0.05 0.00 0.03 0.00 0.00 54.97 53.06 1fwk s GLU 157 Cb 0.05 -2.12 0.11 0.00 -0.80 0.00 0.00 34.13 31.37 1fwk s GLU 157 CO 0.25 -1.19 0.67 -0.35 -1.33 0.00 0.00 175.26 173.31 1fwk n PRO 158 N 3.56 -0.31 -1.96 -4.83 -0.04 -1.26 -5.05 135.00 125.10 1fwk n PRO 158 Ca 0.11 -1.34 -0.42 0.00 -0.04 0.00 0.00 63.50 61.81 1fwk n PRO 158 Cb 0.36 -0.60 -0.03 0.00 -0.04 0.00 0.00 33.50 33.19 1fwk n PRO 158 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1fwk s LEU 159 N 0.00 4.37 -0.01 1.53 2.96 -1.18 -4.64 118.68 121.70 1fwk s LEU 159 Ca 0.40 2.55 0.02 0.00 -0.22 0.00 0.00 54.13 56.89 1fwk s LEU 159 Cb -0.02 -3.58 -0.01 0.00 0.50 0.00 0.00 46.19 43.08 1fwk s LEU 159 CO 0.28 -0.82 -0.08 -1.61 -1.32 0.00 0.00 176.35 172.80 1fwk s GLU 160 N 1.55 0.65 -0.04 1.98 2.02 -0.12 -4.93 118.70 119.81 1fwk s GLU 160 Ca 0.70 -0.28 0.00 0.00 0.02 0.00 0.00 54.97 55.42 1fwk s GLU 160 Cb -0.42 -0.63 0.02 0.00 0.10 0.00 0.00 34.13 33.20 1fwk s GLU 160 CO 0.31 0.16 -0.02 0.08 0.02 0.00 0.00 175.26 175.82 1fwk s VAL 161 N -0.15 0.32 -0.17 2.63 1.01 -1.26 -2.05 120.40 120.73 1fwk s VAL 161 Ca 0.02 0.02 -0.03 0.00 0.00 0.00 0.00 61.98 61.99 1fwk s VAL 161 Cb -0.03 -0.40 -0.02 0.00 0.00 0.00 0.00 36.38 35.93 1fwk s VAL 161 CO -0.00 0.18 -0.06 -0.76 0.00 0.00 0.00 175.10 174.46 1fwk s LEU 162 N 1.06 3.01 -0.15 3.92 1.43 0.16 -4.95 118.68 123.17 1fwk s LEU 162 Ca -0.09 -0.26 -0.06 0.00 -1.03 0.00 0.00 54.13 52.69 1fwk s LEU 162 Cb -0.14 -1.73 -0.04 0.00 0.03 0.00 0.00 46.19 44.31 1fwk s LEU 162 CO -0.01 0.10 0.05 -2.28 0.23 0.00 0.00 176.35 174.44 1fwk s HIS 163 N 0.75 3.24 -0.28 0.29 5.65 -1.26 -0.84 115.29 122.84 1fwk s HIS 163 Ca -0.02 0.11 0.02 0.00 0.25 0.00 0.00 55.06 55.41 1fwk s HIS 163 Cb -0.15 -1.99 0.08 0.00 -1.18 0.00 0.00 32.58 29.34 1fwk s HIS 163 CO 0.02 0.26 -0.00 0.42 -0.65 0.00 0.00 174.74 174.79 1fwk s ILE 164 N -0.04 1.74 0.49 0.89 1.01 0.39 -5.01 121.20 120.67 1fwk s ILE 164 Ca 0.06 -1.67 -0.23 0.00 0.00 0.00 0.00 60.65 58.81 1fwk s ILE 164 Cb -0.12 -2.12 -0.06 0.00 0.01 0.00 0.00 42.46 40.16 1fwk s ILE 164 CO 0.01 -0.35 1.25 -2.16 0.00 0.00 0.00 174.94 173.70 1fwk s PRO 165 N 1.24 3.53 -0.43 2.79 0.04 -1.26 -2.05 135.00 138.86 1fwk s PRO 165 Ca 0.02 1.99 -0.09 0.00 0.04 0.00 0.00 61.00 62.96 1fwk s PRO 165 Cb -0.19 -2.38 0.09 0.00 0.04 0.00 0.00 34.50 32.06 1fwk s PRO 165 CO -0.10 -0.80 0.28 0.42 0.04 0.00 0.00 177.00 176.85 1fwk s ILE 166 N -1.42 4.23 -2.91 0.56 -1.09 -1.26 -4.87 121.20 114.43 1fwk s ILE 166 Ca 0.66 -1.49 0.24 0.00 -2.23 0.00 0.00 60.65 57.83 1fwk s ILE 166 Cb -0.34 -3.64 0.24 0.00 -1.58 0.00 0.00 42.46 37.14 1fwk s ILE 166 CO 0.41 -0.58 1.32 0.47 -1.23 0.00 0.00 174.94 175.33 1fwk n ASP 167 N 4.92 2.89 -4.92 3.58 8.00 -1.26 -4.94 116.55 124.82 1fwk n ASP 167 Ca -0.09 -1.95 -0.20 0.00 0.71 0.00 0.00 54.79 53.26 1fwk n ASP 167 Cb 0.42 -0.02 -0.02 0.00 -0.02 0.00 0.00 41.12 41.49 1fwk n ASP 167 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1fwk s PHE 168 N -1.96 2.82 0.10 1.24 -0.12 -1.26 -5.08 117.98 113.72 1fwk s PHE 168 Ca 0.30 -0.40 -0.30 0.00 -0.05 0.00 0.00 56.93 56.48 1fwk s PHE 168 Cb 0.20 -2.14 -0.06 0.00 -0.63 0.00 0.00 43.02 40.39 1fwk s PHE 168 CO 0.30 -0.13 1.19 0.21 -0.05 0.00 0.00 175.22 176.75 1fwk s LYS 169 N -4.17 4.46 -0.30 1.99 2.47 -1.26 -5.00 119.74 117.92 1fwk s LYS 169 Ca 0.48 1.79 -0.03 0.00 -1.56 0.00 0.00 55.97 56.65 1fwk s LYS 169 Cb -0.06 -3.32 0.11 0.00 -1.46 0.00 0.00 37.83 33.10 1fwk s LYS 169 CO 0.29 -0.20 0.14 -1.17 0.16 0.00 0.00 175.35 174.58 1fwk s LEU 170 N 0.70 0.60 0.36 5.43 2.96 -1.26 -5.11 118.68 122.36 1fwk s LEU 170 Ca 0.57 -1.44 -0.26 0.00 -0.22 0.00 0.00 54.13 52.78 1fwk s LEU 170 Cb -0.30 -0.35 -0.09 0.00 0.50 0.00 0.00 46.19 45.95 1fwk s LEU 170 CO 0.31 -0.42 1.07 -1.81 -1.32 0.00 0.00 176.35 174.19 1fwk s ASP 171 N 1.93 6.91 -0.03 3.68 1.01 -1.26 -3.39 116.67 125.52 1fwk s ASP 171 Ca 0.11 2.14 0.03 0.00 0.71 0.00 0.00 52.55 55.53 1fwk s ASP 171 Cb -0.17 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.16 1fwk s ASP 171 CO -0.31 -0.39 -0.10 -0.63 0.21 0.00 0.00 175.17 173.95 1fwk s ILE 172 N -1.47 0.87 -0.09 0.77 1.01 -0.42 -4.10 121.20 117.76 1fwk s ILE 172 Ca 0.53 -0.41 0.05 0.00 0.00 0.00 0.00 60.65 60.81 1fwk s ILE 172 Cb -0.26 -0.76 -0.00 0.00 0.01 0.00 0.00 42.46 41.45 1fwk s ILE 172 CO 0.33 0.26 -0.24 -0.76 0.00 0.00 0.00 174.94 174.53 1fwk s LEU 173 N 0.13 2.08 -0.15 2.97 1.02 -0.32 0.23 118.68 124.65 1fwk s LEU 173 Ca -0.02 -0.55 0.02 0.00 0.02 0.00 0.00 54.13 53.60 1fwk s LEU 173 Cb -0.08 -1.40 0.01 0.00 0.02 0.00 0.00 46.19 44.74 1fwk s LEU 173 CO 0.01 0.18 -0.20 -0.63 0.02 0.00 0.00 176.35 175.72 1fwk s ILE 174 N 0.22 1.97 -0.21 -0.59 -1.09 0.07 -0.52 121.20 121.05 1fwk s ILE 174 Ca -0.15 -0.91 -0.06 0.00 -2.23 0.00 0.00 60.65 57.30 1fwk s ILE 174 Cb -0.17 -1.76 -0.03 0.00 -1.58 0.00 0.00 42.46 38.92 1fwk s ILE 174 CO 0.08 0.53 0.02 0.00 -1.23 0.00 0.00 174.94 174.34 1fwk s ALA 175 N 0.99 3.11 -0.53 9.38 0.00 -0.60 -0.78 121.76 133.33 1fwk s ALA 175 Ca -0.03 -0.98 -0.06 0.00 0.00 0.00 0.00 51.96 50.89 1fwk s ALA 175 Cb -0.15 -1.85 0.14 0.00 0.00 0.00 0.00 23.12 21.27 1fwk s ALA 175 CO -0.05 -0.16 0.38 0.42 0.00 0.00 0.00 175.76 176.35 1fwk s ILE 176 N 1.01 3.97 0.81 0.00 1.01 -0.04 -1.23 121.20 126.73 1fwk s ILE 176 Ca 0.02 -2.26 -0.14 0.00 0.00 0.00 0.00 60.65 58.27 1fwk s ILE 176 Cb -0.14 -3.61 0.06 0.00 0.01 0.00 0.00 42.46 38.78 1fwk s ILE 176 CO 0.02 -0.81 1.05 -2.65 0.00 0.00 0.00 174.94 172.55 1fwk n PRO 177 N 4.32 0.17 -2.00 2.79 -0.02 -1.26 -4.56 135.00 134.45 1fwk n PRO 177 Ca 0.00 0.13 -0.37 0.00 -2.02 0.00 0.00 63.50 61.24 1fwk n PRO 177 Cb 0.41 -2.31 -0.01 0.00 -0.02 0.00 0.00 33.50 31.57 1fwk n PRO 177 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1fwk n ASN 178 N -2.68 7.39 -3.82 2.55 5.15 -1.26 -4.84 115.26 117.75 1fwk n ASN 178 Ca 0.13 -3.40 -0.09 0.00 -0.60 0.00 0.00 54.58 50.61 1fwk n ASN 178 Cb 0.51 -1.23 -0.07 0.00 -0.53 0.00 0.00 39.78 38.45 1fwk n ASN 178 CO 0.00 0.00 0.00 0.27 1.40 0.00 0.00 177.26 178.93 1fwk s ILE 179 N -2.84 0.13 0.17 -1.44 -4.36 -1.26 -5.18 121.20 106.42 1fwk s ILE 179 Ca 0.52 -1.08 0.07 0.00 -0.26 0.00 0.00 60.65 59.89 1fwk s ILE 179 Cb 0.28 -1.31 -0.04 0.00 1.25 0.00 0.00 42.46 42.64 1fwk s ILE 179 CO -0.19 -0.60 -0.14 -0.94 0.24 0.00 0.00 174.94 173.31 1fwk s SER 180 N -2.84 2.26 -0.15 4.36 1.04 -1.26 -4.67 113.70 112.43 1fwk s SER 180 Ca 0.04 -0.95 -0.01 0.00 0.48 0.00 0.00 55.95 55.52 1fwk s SER 180 Cb 0.04 -0.09 0.04 0.00 0.10 0.00 0.00 66.02 66.11 1fwk s SER 180 CO -0.11 -0.18 -0.03 -0.63 0.98 0.00 0.00 173.24 173.26 1fwk s ILE 181 N -2.73 0.92 0.85 -1.02 1.01 -0.83 -4.96 121.20 114.46 1fwk s ILE 181 Ca 0.17 -0.50 -0.13 0.00 0.00 0.00 0.00 60.65 60.19 1fwk s ILE 181 Cb -0.02 -1.14 0.12 0.00 0.01 0.00 0.00 42.46 41.44 1fwk s ILE 181 CO 0.04 0.11 1.22 0.21 0.00 0.00 0.00 174.94 176.52 1fwk s ASN 182 N 1.71 4.04 0.53 3.58 3.84 -1.26 -4.59 114.94 122.79 1fwk s ASN 182 Ca 0.01 0.57 0.28 0.00 0.21 0.00 0.00 52.86 53.93 1fwk s ASN 182 Cb -0.15 -0.91 1.47 0.00 -0.55 0.00 0.00 41.25 41.10 1fwk s ASN 182 CO -0.07 -2.17 2.07 0.00 -2.79 0.00 0.00 177.10 174.13 1fwk h THR 183 N -1.22 0.51 0.01 -5.21 1.03 -1.94 -1.52 112.91 104.56 1fwk h THR 183 Ca -0.45 -0.53 -0.00 0.00 -0.01 0.00 0.00 66.41 65.42 1fwk h THR 183 Cb 1.30 1.35 0.00 0.00 -1.07 0.00 0.00 68.15 69.73 1fwk h THR 183 CO 0.56 0.11 -0.00 0.11 -0.01 0.00 0.00 175.52 176.28 1fwk h LYS 184 N 0.00 -0.01 -0.67 0.00 1.57 -1.95 -3.24 116.57 112.28 1fwk h LYS 184 Ca -0.00 0.00 0.20 0.00 -1.87 0.00 0.00 60.65 58.98 1fwk h LYS 184 Cb 0.35 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.63 1fwk h LYS 184 CO 0.01 0.63 0.52 0.93 -0.57 0.00 0.00 179.45 180.98 1fwk h GLU 185 N -0.99 0.00 0.16 3.15 5.08 -1.92 -1.86 114.58 118.19 1fwk h GLU 185 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1fwk h GLU 185 Cb 0.65 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.90 1fwk h GLU 185 CO 0.00 0.00 -0.08 0.00 -1.00 0.00 0.00 179.01 177.93 1fwk h ALA 186 N 1.60 -0.22 -0.64 3.43 0.00 -1.30 -2.98 119.26 119.14 1fwk h ALA 186 Ca 0.32 -0.15 -0.39 0.00 0.00 0.00 0.00 54.91 54.69 1fwk h ALA 186 Cb 1.36 0.08 -0.19 0.00 0.00 0.00 0.00 17.79 19.04 1fwk h ALA 186 CO -0.00 -0.49 0.50 2.89 0.00 0.00 0.00 179.25 182.15 1fwk n ARG 187 N -5.06 1.95 0.00 0.00 -4.01 -0.73 -3.24 116.66 105.57 1fwk n ARG 187 Ca -0.09 -2.03 0.03 0.00 -1.04 0.00 0.00 57.85 54.72 1fwk n ARG 187 Cb 0.20 -1.80 -0.03 0.00 -3.04 0.00 0.00 32.46 27.80 1fwk n ARG 187 CO 0.00 0.00 0.00 0.39 -3.04 0.00 0.00 177.63 174.98 1fwk n GLU 188 N -0.31 5.03 -0.11 2.89 1.02 -1.04 -4.52 120.64 123.60 1fwk n GLU 188 Ca 0.40 -0.02 -0.21 0.00 -0.02 0.00 0.00 57.16 57.31 1fwk n GLU 188 Cb 0.93 -0.77 -0.09 0.00 -0.02 0.00 0.00 31.44 31.48 1fwk n GLU 188 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1fwk n ILE 189 N -1.09 1.51 -1.58 -3.67 -0.00 -1.20 -5.00 119.36 108.33 1fwk n ILE 189 Ca 0.01 -0.07 -0.60 0.00 -0.00 0.00 0.00 62.75 62.10 1fwk n ILE 189 Cb 0.09 -2.07 -0.08 0.00 -0.00 0.00 0.00 39.64 37.58 1fwk n ILE 189 CO 0.00 0.00 0.00 0.18 -0.00 0.00 0.00 176.55 176.73 1fwk n LEU 190 N -4.42 0.66 -4.78 1.39 4.32 -1.25 -5.00 117.00 107.93 1fwk n LEU 190 Ca -0.33 1.15 -0.30 0.00 -0.02 0.00 0.00 56.01 56.52 1fwk n LEU 190 Cb 0.66 -0.97 0.11 0.00 -1.62 0.00 0.00 43.42 41.60 1fwk n LEU 190 CO 0.14 -1.46 0.70 -2.84 -1.22 0.00 0.00 177.39 172.71 1fwk s PRO 191 N 0.94 1.80 -0.14 3.23 0.02 -1.26 -4.98 135.00 134.61 1fwk s PRO 191 Ca 0.93 0.70 0.06 0.00 0.02 0.00 0.00 61.00 62.71 1fwk s PRO 191 Cb -1.26 -1.88 -0.23 0.00 0.02 0.00 0.00 34.50 31.15 1fwk s PRO 191 CO 0.61 -1.83 0.28 1.63 -0.33 0.00 0.00 177.00 177.36 1fwk n LYS 192 N -3.59 0.69 -4.39 5.54 4.76 -1.26 -4.96 118.16 114.95 1fwk n LYS 192 Ca 0.07 0.20 -0.21 0.00 -2.87 0.00 0.00 58.31 55.50 1fwk n LYS 192 Cb 0.56 -1.66 -0.10 0.00 -1.84 0.00 0.00 35.03 31.98 1fwk n LYS 192 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1fwk s ALA 193 N -2.55 2.28 0.00 7.82 0.00 -1.26 -5.15 121.76 122.90 1fwk s ALA 193 Ca -0.17 -1.70 0.03 0.00 0.00 0.00 0.00 51.96 50.11 1fwk s ALA 193 Cb 0.07 -0.17 -0.01 0.00 0.00 0.00 0.00 23.12 23.01 1fwk s ALA 193 CO 0.77 0.18 -0.09 0.08 0.00 0.00 0.00 175.76 176.70 1fwk s VAL 194 N -2.62 0.70 0.62 0.00 1.01 -1.26 -5.14 120.40 113.72 1fwk s VAL 194 Ca 0.24 -0.48 -0.17 0.00 0.00 0.00 0.00 61.98 61.56 1fwk s VAL 194 Cb -0.03 -0.61 -0.02 0.00 0.00 0.00 0.00 36.38 35.72 1fwk s VAL 194 CO 0.10 0.12 1.18 -0.83 0.00 0.00 0.00 175.10 175.67 1fwk s GLY 195 N -0.40 2.55 0.26 4.51 0.00 -1.26 -4.88 107.32 108.10 1fwk s GLY 195 Ca 0.02 0.88 -0.05 0.00 0.00 0.00 0.00 44.72 45.57 1fwk s GLY 195 CO -0.00 1.26 1.94 -2.00 0.00 0.00 0.00 173.10 174.30 1fwk h LEU 196 N 0.55 1.10 -2.03 0.66 7.12 -2.00 -1.64 115.31 119.07 1fwk h LEU 196 Ca -0.49 -0.03 -0.02 0.00 0.13 0.00 0.00 57.88 57.47 1fwk h LEU 196 Cb 1.28 -0.28 -0.00 0.00 -0.53 0.00 0.00 40.66 41.14 1fwk h LEU 196 CO 0.54 0.80 -0.09 0.11 -0.13 0.00 0.00 178.44 179.67 1fwk h LYS 197 N 1.30 0.00 0.10 1.25 6.56 -1.99 -1.13 116.57 122.66 1fwk h LYS 197 Ca 0.35 0.00 -0.28 0.00 -1.06 0.00 0.00 60.65 59.66 1fwk h LYS 197 Cb -0.14 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.51 1fwk h LYS 197 CO -0.08 0.09 -1.37 -0.44 -2.06 0.00 0.00 179.45 175.59 1fwk h ASP 198 N 0.00 0.33 -0.37 0.86 3.32 -1.68 -1.72 116.42 117.16 1fwk h ASP 198 Ca -0.00 -0.41 0.01 0.00 0.02 0.00 0.00 57.03 56.65 1fwk h ASP 198 Cb 0.20 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 1fwk h ASP 198 CO 0.01 1.34 0.22 0.25 -1.72 0.00 0.00 179.24 179.34 1fwk h LEU 199 N 0.06 0.37 -0.42 1.55 5.85 -0.67 0.63 115.31 122.67 1fwk h LEU 199 Ca -0.18 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 1fwk h LEU 199 Cb 1.97 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 42.90 1fwk h LEU 199 CO 0.17 0.27 0.25 0.58 -0.34 0.00 0.00 178.44 179.36 1fwk h VAL 200 N 0.45 1.14 0.02 1.05 2.07 -1.29 -1.09 116.25 118.61 1fwk h VAL 200 Ca 0.14 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 67.33 1fwk h VAL 200 Cb -0.01 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 1fwk h VAL 200 CO -0.06 0.14 -0.01 -1.13 0.02 0.00 0.00 177.57 176.54 1fwk h ASN 201 N 0.55 -0.02 -0.36 0.57 -1.24 -0.82 -1.76 115.58 112.51 1fwk h ASN 201 Ca 0.15 -0.16 -0.05 0.00 0.71 0.00 0.00 56.30 56.95 1fwk h ASN 201 Cb 0.02 0.01 -0.02 0.00 0.73 0.00 0.00 38.32 39.05 1fwk h ASN 201 CO -0.03 0.15 0.05 0.78 -1.29 0.00 0.00 177.43 177.09 1fwk h ASN 202 N -0.19 0.65 -0.15 1.15 4.21 -0.80 -0.64 115.58 119.80 1fwk h ASN 202 Ca -0.00 -0.12 -0.02 0.00 1.21 0.00 0.00 56.30 57.37 1fwk h ASN 202 Cb 0.18 -0.17 -0.01 0.00 -1.12 0.00 0.00 38.32 37.21 1fwk h ASN 202 CO 0.00 0.68 0.03 0.58 -1.29 0.00 0.00 177.43 177.43 1fwk h VAL 203 N 0.66 1.21 -0.28 2.81 2.07 -1.13 -0.20 116.25 121.39 1fwk h VAL 203 Ca 0.14 -0.68 -0.00 0.00 0.82 0.00 0.00 66.70 66.97 1fwk h VAL 203 Cb 0.33 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 1fwk h VAL 203 CO 0.01 0.20 0.15 1.23 0.02 0.00 0.00 177.57 179.18 1fwk h GLY 204 N 0.04 0.41 1.23 2.17 0.00 -0.94 -1.13 103.07 104.84 1fwk h GLY 204 Ca 0.05 -0.18 -0.13 0.00 0.00 0.00 0.00 47.33 47.06 1fwk h GLY 204 CO 0.00 0.18 -0.27 0.50 0.00 0.00 0.00 176.54 176.94 1fwk h LYS 205 N 0.33 0.87 -0.40 4.80 1.79 -1.10 0.54 116.57 123.40 1fwk h LYS 205 Ca 0.10 -0.39 -0.07 0.00 -2.18 0.00 0.00 60.65 58.10 1fwk h LYS 205 Cb 0.06 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.67 1fwk h LYS 205 CO -0.02 1.04 -0.02 0.00 -1.08 0.00 0.00 179.45 179.37 1fwk h ALA 206 N 0.94 0.55 -0.59 3.86 0.00 -0.99 -1.08 119.26 121.95 1fwk h ALA 206 Ca 0.09 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 1fwk h ALA 206 Cb 0.83 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 1fwk h ALA 206 CO 0.07 0.35 0.18 0.00 0.00 0.00 0.00 179.25 179.85 1fwk h GLY 208 N 1.00 0.03 1.44 0.00 0.00 -0.46 -2.08 103.07 102.99 1fwk h GLY 208 Ca 0.19 -0.02 -0.12 0.00 0.00 0.00 0.00 47.33 47.38 1fwk h GLY 208 CO -0.01 0.02 -0.32 -0.33 0.00 0.00 0.00 176.54 175.90 1fwk h MET 209 N 0.02 0.63 0.07 4.80 2.86 -0.40 0.62 114.93 123.53 1fwk h MET 209 Ca 0.00 -0.28 -0.00 0.00 -2.06 0.00 0.00 59.70 57.35 1fwk h MET 209 Cb 0.47 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.11 1fwk h MET 209 CO 0.03 0.87 -0.03 0.28 1.06 0.00 0.00 176.91 179.12 1fwk h VAL 210 N 0.54 1.09 -0.55 -2.22 2.07 -1.10 -0.93 116.25 115.14 1fwk h VAL 210 Ca 0.06 -0.54 0.10 0.00 0.82 0.00 0.00 66.70 67.15 1fwk h VAL 210 Cb 0.81 1.44 -0.08 0.00 -1.52 0.00 0.00 31.29 31.94 1fwk h VAL 210 CO 0.07 0.13 0.07 0.22 0.02 0.00 0.00 177.57 178.09 1fwk h TYR 211 N -0.33 0.10 -0.64 1.57 3.20 -1.31 -1.27 116.97 118.29 1fwk h TYR 211 Ca -0.01 0.04 0.08 0.00 3.14 0.00 0.00 58.73 61.98 1fwk h TYR 211 Cb 0.29 0.04 -0.06 0.00 1.54 0.00 0.00 36.73 38.53 1fwk h TYR 211 CO 0.01 -0.06 0.30 0.00 -1.64 0.00 0.00 178.16 176.77 1fwk h ALA 212 N 1.45 0.86 -0.49 1.82 0.00 -0.36 -1.58 119.26 120.96 1fwk h ALA 212 Ca 0.28 0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.21 1fwk h ALA 212 Cb 0.42 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1fwk h ALA 212 CO -0.40 -0.08 0.17 -0.07 0.00 0.00 0.00 179.25 178.87 1fwk h LEU 213 N 0.54 0.70 -2.05 0.00 3.38 -0.04 0.91 115.31 118.75 1fwk h LEU 213 Ca 0.31 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1fwk h LEU 213 Cb 0.31 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 1fwk h LEU 213 CO -0.25 0.71 -0.08 1.88 0.09 0.00 0.00 178.44 180.79 1fwk h TYR 214 N 0.66 0.00 -0.47 1.13 -1.99 -0.89 -1.35 116.97 114.06 1fwk h TYR 214 Ca 0.16 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.89 1fwk h TYR 214 Cb 0.25 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.98 1fwk h TYR 214 CO 0.01 0.08 0.00 0.09 -0.00 0.00 0.00 178.16 178.34 1fwk n ASN 215 N -3.49 3.46 -4.07 3.88 3.02 -0.64 -4.97 115.26 112.46 1fwk n ASN 215 Ca -0.02 -1.96 -0.32 0.00 -0.03 0.00 0.00 54.58 52.24 1fwk n ASN 215 Cb 0.21 -0.31 -0.00 0.00 -0.61 0.00 0.00 39.78 39.07 1fwk n ASN 215 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1fwk n LYS 216 N 1.36 -4.09 -3.44 3.52 5.02 0.14 -4.90 118.16 115.77 1fwk n LYS 216 Ca 0.19 0.47 -0.44 0.00 -2.02 0.00 0.00 58.31 56.51 1fwk n LYS 216 Cb 0.57 -5.18 -0.04 0.00 -0.02 0.00 0.00 35.03 30.36 1fwk n LYS 216 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1fwk s ASP 217 N -3.46 6.39 0.40 4.39 -1.08 -0.19 -4.92 116.67 118.20 1fwk s ASP 217 Ca 0.61 -2.83 0.12 0.00 -0.52 0.00 0.00 52.55 49.92 1fwk s ASP 217 Cb -0.32 -2.11 0.84 0.00 -1.46 0.00 0.00 42.92 39.87 1fwk s ASP 217 CO 0.88 -0.49 1.91 0.11 0.52 0.00 0.00 175.17 178.11 1fwk h LYS 218 N 7.45 0.10 -0.33 4.34 1.57 -1.90 -1.43 116.57 126.37 1fwk h LYS 218 Ca 0.09 -0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.74 1fwk h LYS 218 Cb 1.00 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.29 1fwk h LYS 218 CO 0.76 0.31 -0.17 0.77 -0.57 0.00 0.00 179.45 180.55 1fwk h SER 219 N 0.09 0.73 -0.18 0.86 0.02 -1.91 -1.53 113.55 111.63 1fwk h SER 219 Ca 0.02 -0.41 -0.04 0.00 -0.84 0.00 0.00 61.79 60.51 1fwk h SER 219 Cb 0.44 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 1fwk h SER 219 CO 0.03 0.98 -0.05 0.25 -1.14 0.00 0.00 176.83 176.90 1fwk h LEU 220 N 0.47 0.35 -0.18 5.07 5.85 -1.87 -1.22 115.31 123.78 1fwk h LEU 220 Ca 0.07 -0.38 0.05 0.00 0.84 0.00 0.00 57.88 58.46 1fwk h LEU 220 Cb 0.71 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.59 1fwk h LEU 220 CO 0.05 0.65 -0.15 0.15 -0.34 0.00 0.00 178.44 178.79 1fwk h PHE 221 N 0.05 -0.39 -0.57 1.25 3.57 -1.25 -0.70 116.94 118.91 1fwk h PHE 221 Ca 0.04 0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.46 1fwk h PHE 221 Cb 0.50 0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.42 1fwk h PHE 221 CO 0.05 -0.22 -0.07 0.78 -2.23 0.00 0.00 178.31 176.62 1fwk h GLY 222 N -0.16 1.13 0.82 2.40 0.00 -1.29 -0.59 103.07 105.37 1fwk h GLY 222 Ca 0.11 -0.89 -0.02 0.00 0.00 0.00 0.00 47.33 46.53 1fwk h GLY 222 CO -0.28 0.82 0.02 -0.09 0.00 0.00 0.00 176.54 177.00 1fwk h ARG 223 N 0.93 0.29 -0.17 4.80 2.43 -1.01 -2.73 114.38 118.92 1fwk h ARG 223 Ca 0.15 -0.08 -0.08 0.00 -0.81 0.00 0.00 59.98 59.16 1fwk h ARG 223 Cb 0.64 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.15 1fwk h ARG 223 CO 0.04 0.47 -0.25 1.88 -1.51 0.00 0.00 179.97 180.61 1fwk h TYR 224 N 0.06 0.33 -0.11 2.20 0.99 -1.07 -2.44 116.97 116.93 1fwk h TYR 224 Ca 0.05 -0.06 0.03 0.00 2.00 0.00 0.00 58.73 60.75 1fwk h TYR 224 Cb 0.33 -0.08 -0.00 0.00 1.00 0.00 0.00 36.73 37.97 1fwk h TYR 224 CO 0.02 0.53 0.08 1.98 -0.00 0.00 0.00 178.16 180.78 1fwk h MET 225 N 0.27 0.00 -0.67 4.88 4.05 -0.86 -1.65 114.93 120.95 1fwk h MET 225 Ca 0.04 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.46 1fwk h MET 225 Cb 0.59 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.39 1fwk h MET 225 CO 0.04 0.00 0.00 -1.33 0.23 0.00 0.00 176.91 175.85 1fwk n MET 226 N -4.44 3.53 -0.16 0.39 2.81 -0.92 -3.84 117.12 114.49 1fwk n MET 226 Ca -0.00 -2.20 0.10 0.00 -1.81 0.00 0.00 57.70 53.79 1fwk n MET 226 Cb 0.20 -1.94 0.28 0.00 -0.71 0.00 0.00 33.22 31.05 1fwk n MET 226 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1fwk n SER 227 N 0.56 2.40 -4.71 7.83 7.64 -0.62 -4.96 113.62 121.76 1fwk n SER 227 Ca 0.20 -1.88 -0.42 0.00 1.01 0.00 0.00 58.87 57.78 1fwk n SER 227 Cb 0.85 -0.21 -0.03 0.00 -1.01 0.00 0.00 64.21 63.81 1fwk n SER 227 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1fwk s ASP 228 N -1.36 7.18 0.00 6.43 2.15 -1.26 -4.87 116.67 124.94 1fwk s ASP 228 Ca 0.34 1.85 0.11 0.00 0.43 0.00 0.00 52.55 55.28 1fwk s ASP 228 Cb 0.18 -2.57 0.03 0.00 -0.30 0.00 0.00 42.92 40.26 1fwk s ASP 228 CO 0.26 -0.41 0.75 0.29 -0.17 0.00 0.00 175.17 175.88 1fwk n LYS 229 N 4.13 1.51 -0.08 4.34 4.76 -1.26 -4.37 118.16 127.19 1fwk n LYS 229 Ca 0.08 -0.85 -0.19 0.00 -2.87 0.00 0.00 58.31 54.49 1fwk n LYS 229 Cb 0.48 -1.16 -0.12 0.00 -1.84 0.00 0.00 35.03 32.39 1fwk n LYS 229 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1fwk h VAL 230 N 1.63 1.25 0.00 -0.18 2.07 -1.97 -3.43 116.25 115.62 1fwk h VAL 230 Ca 0.00 -2.27 -0.05 0.00 0.82 0.00 0.00 66.70 65.20 1fwk h VAL 230 Cb 0.42 2.71 -0.01 0.00 -1.52 0.00 0.00 31.29 32.89 1fwk h VAL 230 CO 0.00 0.47 -1.19 -0.38 0.02 0.00 0.00 177.57 176.49 1fwk n ILE 231 N -4.44 0.19 -0.16 4.57 5.41 -1.26 -4.78 119.36 118.89 1fwk n ILE 231 Ca -0.23 -0.09 -0.04 0.00 1.00 0.00 0.00 62.75 63.39 1fwk n ILE 231 Cb 0.63 -0.74 0.06 0.00 -0.71 0.00 0.00 39.64 38.88 1fwk n ILE 231 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 1fwk h GLU 232 N 0.00 0.44 -0.87 0.38 4.81 -1.87 -1.38 114.58 116.08 1fwk h GLU 232 Ca -0.07 -0.03 0.17 0.00 -0.13 0.00 0.00 59.36 59.30 1fwk h GLU 232 Cb 1.13 -0.10 -0.07 0.00 0.63 0.00 0.00 28.75 30.35 1fwk h GLU 232 CO -0.01 0.29 0.57 -1.35 -0.73 0.00 0.00 179.01 177.78 1fwk h PRO 233 N 0.45 0.53 0.00 0.92 0.11 -1.84 0.65 132.00 132.81 1fwk h PRO 233 Ca 0.23 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 66.24 1fwk h PRO 233 Cb 0.17 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.16 1fwk h PRO 233 CO -0.18 0.35 -0.41 0.28 -0.21 0.00 0.00 178.00 177.82 1fwk h VAL 234 N 0.54 1.12 -0.12 3.15 2.07 -1.81 -3.36 116.25 117.85 1fwk h VAL 234 Ca 0.45 -1.98 -0.02 0.00 0.82 0.00 0.00 66.70 65.97 1fwk h VAL 234 Cb 0.91 2.26 -0.01 0.00 -1.52 0.00 0.00 31.29 32.93 1fwk h VAL 234 CO -0.19 0.38 -0.00 0.03 0.02 0.00 0.00 177.57 177.81 1fwk h ARG 235 N -1.00 0.16 0.00 1.57 3.08 -0.99 -2.45 114.38 114.75 1fwk h ARG 235 Ca -0.10 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 59.92 1fwk h ARG 235 Cb 0.90 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.92 1fwk h ARG 235 CO -0.06 0.18 -0.02 0.78 -1.07 0.00 0.00 179.97 179.78 1fwk h GLY 236 N 0.36 0.00 2.00 0.04 0.00 0.17 -2.14 103.07 103.49 1fwk h GLY 236 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1fwk h GLY 236 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.54 177.04 1fwk h LYS 237 N 0.00 0.00 -0.01 4.80 1.57 -1.58 -2.87 116.57 118.49 1fwk h LYS 237 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1fwk h LYS 237 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.43 1fwk h LYS 237 CO 0.00 0.00 -0.07 1.28 -0.57 0.00 0.00 179.45 180.09 1fwk n LEU 238 N -2.78 0.91 -4.19 2.94 4.77 -0.81 -4.78 117.00 113.06 1fwk n LEU 238 Ca 0.02 -0.25 -0.35 0.00 -0.03 0.00 0.00 56.01 55.41 1fwk n LEU 238 Cb 0.32 -0.07 -0.14 0.00 -2.33 0.00 0.00 43.42 41.20 1fwk n LEU 238 CO 0.26 0.16 -0.39 -0.63 -1.33 0.00 0.00 177.39 175.45 1fwk s ILE 239 N -2.20 2.90 -0.06 -0.08 1.01 -1.08 -5.02 121.20 116.65 1fwk s ILE 239 Ca 0.35 -1.12 -0.37 0.00 0.00 0.00 0.00 60.65 59.51 1fwk s ILE 239 Cb 0.21 -2.52 -0.15 0.00 0.01 0.00 0.00 42.46 40.00 1fwk s ILE 239 CO 0.41 0.12 1.60 -2.65 0.00 0.00 0.00 174.94 174.41 1fwk n PRO 240 N 4.65 1.42 -0.90 2.79 -0.02 -1.26 -1.55 135.00 140.14 1fwk n PRO 240 Ca -0.16 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 1fwk n PRO 240 Cb 0.46 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 1fwk n PRO 240 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1fwk n ASN 241 N 4.28 -3.46 -0.08 2.55 3.02 -1.26 -4.90 115.26 115.41 1fwk n ASN 241 Ca 0.22 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.67 1fwk n ASN 241 Cb 0.19 -2.21 -0.04 0.00 -0.61 0.00 0.00 39.78 37.11 1fwk n ASN 241 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1fwk h TYR 242 N 0.00 -1.13 -0.17 3.10 3.20 -1.55 0.31 116.97 120.74 1fwk h TYR 242 Ca 0.00 0.06 -0.06 0.00 3.14 0.00 0.00 58.73 61.87 1fwk h TYR 242 Cb 0.45 0.54 -0.01 0.00 1.54 0.00 0.00 36.73 39.25 1fwk h TYR 242 CO 0.29 -0.43 -0.17 0.74 -1.64 0.00 0.00 178.16 176.94 1fwk h PHE 243 N -0.36 0.29 -0.22 -3.82 -1.00 -1.84 0.22 116.94 110.21 1fwk h PHE 243 Ca 0.12 -0.04 -0.05 0.00 2.81 0.00 0.00 57.97 60.81 1fwk h PHE 243 Cb 0.58 -0.08 -0.01 0.00 3.61 0.00 0.00 35.95 40.06 1fwk h PHE 243 CO -0.55 0.44 -0.08 -0.22 -1.61 0.00 0.00 178.31 176.30 1fwk h LYS 244 N 0.26 0.44 -0.14 1.51 3.64 -1.72 -1.45 116.57 119.10 1fwk h LYS 244 Ca 0.05 -0.18 0.02 0.00 -1.27 0.00 0.00 60.65 59.26 1fwk h LYS 244 Cb 0.46 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 1fwk h LYS 244 CO 0.03 0.70 0.04 0.82 -2.27 0.00 0.00 179.45 178.76 1fwk h ILE 245 N 0.15 0.95 -0.40 2.00 2.04 0.06 0.51 117.51 122.82 1fwk h ILE 245 Ca 0.05 -0.03 0.08 0.00 1.00 0.00 0.00 64.86 65.96 1fwk h ILE 245 Cb 0.55 0.84 -0.08 0.00 -0.74 0.00 0.00 36.82 37.39 1fwk h ILE 245 CO 0.03 0.02 -0.16 0.50 0.00 0.00 0.00 178.15 178.54 1fwk h LYS 246 N 0.10 -0.07 -0.50 2.37 3.64 -0.85 0.18 116.57 121.44 1fwk h LYS 246 Ca 0.06 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.40 1fwk h LYS 246 Cb 0.05 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 1fwk h LYS 246 CO -0.08 -0.05 0.14 1.49 -2.27 0.00 0.00 179.45 178.69 1fwk h GLU 247 N -0.07 0.79 -0.40 1.90 4.57 -0.83 -1.52 114.58 119.01 1fwk h GLU 247 Ca 0.20 -0.18 -0.02 0.00 -1.18 0.00 0.00 59.36 58.18 1fwk h GLU 247 Cb 0.38 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.84 1fwk h GLU 247 CO -0.45 0.75 0.16 1.49 -1.18 0.00 0.00 179.01 179.77 1fwk h GLU 248 N 0.68 0.57 -0.02 1.92 4.81 0.16 -2.57 114.58 120.12 1fwk h GLU 248 Ca 0.16 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1fwk h GLU 248 Cb 0.30 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.57 1fwk h GLU 248 CO -0.00 0.47 -0.08 1.33 -0.73 0.00 0.00 179.01 180.00 1fwk n VAL 249 N -4.38 0.00 0.00 0.32 0.24 0.49 -4.79 118.33 110.22 1fwk n VAL 249 Ca 0.03 -0.42 0.00 0.00 -2.04 0.00 0.00 64.34 61.91 1fwk n VAL 249 Cb 0.14 1.28 0.00 0.00 -1.47 0.00 0.00 33.84 33.80 1fwk n VAL 249 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1fwk n LYS 250 N 0.91 0.00 -0.52 7.34 4.81 -0.59 -0.13 118.16 129.98 1fwk n LYS 250 Ca 0.14 0.00 0.10 0.00 -0.87 0.00 0.00 58.31 57.67 1fwk n LYS 250 Cb 0.54 0.00 0.33 0.00 0.02 0.00 0.00 35.03 35.92 1fwk n LYS 250 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1fwk n ASP 251 N -3.47 4.42 -0.63 3.14 8.00 -1.26 -4.15 116.55 122.61 1fwk n ASP 251 Ca 0.00 -2.35 0.07 0.00 0.71 0.00 0.00 54.79 53.22 1fwk n ASP 251 Cb 0.00 -0.53 0.08 0.00 -0.02 0.00 0.00 41.12 40.65 1fwk n ASP 251 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1fwk n LYS 252 N 1.09 1.31 -4.17 -1.24 5.02 0.81 -4.99 118.16 115.99 1fwk n LYS 252 Ca 0.24 -1.50 -0.15 0.00 -2.02 0.00 0.00 58.31 54.88 1fwk n LYS 252 Cb 0.80 -1.29 -0.11 0.00 -0.02 0.00 0.00 35.03 34.41 1fwk n LYS 252 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1fwk s VAL 253 N -1.19 0.97 0.15 -0.18 -7.23 -1.17 -0.88 120.40 110.86 1fwk s VAL 253 Ca 0.19 -1.55 0.18 0.00 -1.81 0.00 0.00 61.98 58.99 1fwk s VAL 253 Cb 0.13 -1.27 0.11 0.00 0.56 0.00 0.00 36.38 35.91 1fwk s VAL 253 CO 0.19 -0.48 1.69 1.88 -0.31 0.00 0.00 175.10 178.07 1fwk h TYR 254 N 3.75 0.00 0.00 2.82 -1.99 -0.43 -3.44 116.97 117.67 1fwk h TYR 254 Ca -0.38 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.35 1fwk h TYR 254 Cb 1.19 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.92 1fwk h TYR 254 CO 0.64 0.41 0.00 0.41 -0.00 0.00 0.00 178.16 179.62 1fwk n GLY 255 N 0.34 0.57 3.32 3.88 0.00 -1.25 -3.05 105.19 109.00 1fwk n GLY 255 Ca -0.00 -0.73 -0.14 0.00 0.00 0.00 0.00 46.02 45.15 1fwk n GLY 255 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1fwk s ILE 256 N -2.00 0.01 0.18 -0.61 2.07 -1.26 -1.58 121.20 118.02 1fwk s ILE 256 Ca 0.00 -0.11 -0.09 0.00 -1.41 0.00 0.00 60.65 59.04 1fwk s ILE 256 Cb 0.00 -0.63 0.03 0.00 0.13 0.00 0.00 42.46 41.99 1fwk s ILE 256 CO 0.00 -0.06 0.47 1.07 -1.91 0.00 0.00 174.94 174.51 1fwk n THR 257 N 2.36 0.00 -2.98 4.00 5.66 -0.17 -4.79 114.28 118.37 1fwk n THR 257 Ca -0.15 -0.48 -0.40 0.00 -3.05 0.00 0.00 64.05 59.97 1fwk n THR 257 Cb 0.57 0.51 -0.06 0.00 -1.55 0.00 0.00 70.33 69.80 1fwk n THR 257 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 1fwk s ILE 258 N -2.45 4.54 -0.36 1.09 1.01 -1.26 -0.61 121.20 123.16 1fwk s ILE 258 Ca 0.10 1.67 -0.22 0.00 0.00 0.00 0.00 60.65 62.20 1fwk s ILE 258 Cb -0.02 -4.13 0.01 0.00 0.01 0.00 0.00 42.46 38.32 1fwk s ILE 258 CO 0.06 0.45 0.72 -0.55 0.00 0.00 0.00 174.94 175.61 1fwk s SER 259 N -0.63 6.50 1.23 3.58 0.15 -0.63 -4.44 113.70 119.46 1fwk s SER 259 Ca 0.37 0.28 0.00 0.00 0.70 0.00 0.00 55.95 57.30 1fwk s SER 259 Cb -0.22 -2.37 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 1fwk s SER 259 CO 0.25 -0.66 0.00 0.61 1.20 0.00 0.00 173.24 174.63 1fwk n GLY 260 N 4.57 3.07 0.18 9.45 0.00 0.20 -1.23 105.19 121.43 1fwk n GLY 260 Ca 0.01 -0.31 0.14 0.00 0.00 0.00 0.00 46.02 45.86 1fwk n GLY 260 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1fwk n SER 261 N 2.18 0.56 0.00 1.61 7.64 -1.26 -4.90 113.62 119.45 1fwk n SER 261 Ca 0.00 -1.26 0.00 0.00 1.01 0.00 0.00 58.87 58.62 1fwk n SER 261 Cb 0.00 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 1fwk n SER 261 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1fwk n GLY 262 N 1.03 -2.76 0.10 0.23 0.00 -0.37 -4.93 105.19 98.49 1fwk n GLY 262 Ca 0.20 -1.73 0.14 0.00 0.00 0.00 0.00 46.02 44.64 1fwk n GLY 262 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1fwk n PRO 263 N -0.45 0.70 -1.70 1.61 -0.04 -1.21 -2.16 135.00 131.74 1fwk n PRO 263 Ca 0.00 -0.21 -0.38 0.00 -0.04 0.00 0.00 63.50 62.87 1fwk n PRO 263 Cb 0.00 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.02 1fwk n PRO 263 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1fwk n SER 264 N -0.97 1.95 -4.46 3.54 7.64 -0.57 -4.58 113.62 116.17 1fwk n SER 264 Ca 0.15 0.88 -0.33 0.00 1.01 0.00 0.00 58.87 60.58 1fwk n SER 264 Cb 0.27 -1.52 -0.13 0.00 -1.01 0.00 0.00 64.21 61.82 1fwk n SER 264 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1fwk s ILE 265 N -1.38 3.26 -0.14 0.44 1.01 -0.36 -1.60 121.20 122.43 1fwk s ILE 265 Ca 0.77 -0.62 0.00 0.00 0.00 0.00 0.00 60.65 60.80 1fwk s ILE 265 Cb -0.41 -2.34 -0.01 0.00 0.01 0.00 0.00 42.46 39.72 1fwk s ILE 265 CO 0.45 0.56 -0.15 -0.51 0.00 0.00 0.00 174.94 175.29 1fwk s ILE 266 N -0.24 2.76 0.14 2.92 2.07 0.22 -1.56 121.20 127.51 1fwk s ILE 266 Ca 0.02 -0.75 0.09 0.00 -1.41 0.00 0.00 60.65 58.60 1fwk s ILE 266 Cb -0.13 -2.15 -0.04 0.00 0.13 0.00 0.00 42.46 40.27 1fwk s ILE 266 CO 0.03 0.52 -0.22 0.00 -1.91 0.00 0.00 174.94 173.36 1fwk s ALA 267 N 0.59 2.06 -0.65 1.50 0.00 0.32 -1.00 121.76 124.58 1fwk s ALA 267 Ca -0.09 -1.40 0.03 0.00 0.00 0.00 0.00 51.96 50.50 1fwk s ALA 267 Cb -0.16 -0.26 0.16 0.00 0.00 0.00 0.00 23.12 22.86 1fwk s ALA 267 CO 0.03 0.37 0.44 -0.06 0.00 0.00 0.00 175.76 176.54 1fwk s PHE 268 N -1.44 3.45 0.45 0.00 0.40 -0.61 -1.17 117.98 119.06 1fwk s PHE 268 Ca 0.12 -3.20 -0.24 0.00 -0.60 0.00 0.00 56.93 53.01 1fwk s PHE 268 Cb -0.09 -2.85 -0.08 0.00 0.51 0.00 0.00 43.02 40.52 1fwk s PHE 268 CO 0.06 -0.66 1.29 -1.25 0.70 0.00 0.00 175.22 175.36 1fwk s PRO 269 N -0.91 3.73 0.56 0.24 0.04 -1.26 0.30 135.00 137.69 1fwk s PRO 269 Ca 0.22 2.10 -0.20 0.00 0.04 0.00 0.00 61.00 63.15 1fwk s PRO 269 Cb -0.14 -2.57 -0.05 0.00 0.04 0.00 0.00 34.50 31.79 1fwk s PRO 269 CO -0.09 -0.67 1.22 0.15 0.04 0.00 0.00 177.00 177.65 1fwk s LYS 270 N -2.50 3.17 0.25 4.56 1.02 -0.06 -4.69 119.74 121.49 1fwk s LYS 270 Ca 0.62 1.87 -0.04 0.00 0.02 0.00 0.00 55.97 58.44 1fwk s LYS 270 Cb -0.37 -2.08 0.47 0.00 -0.52 0.00 0.00 37.83 35.33 1fwk s LYS 270 CO 0.46 -1.06 1.72 0.93 -0.92 0.00 0.00 175.35 176.48 1fwk h GLU 271 N 1.22 0.39 0.00 1.68 3.07 -1.94 -1.56 114.58 117.44 1fwk h GLU 271 Ca -0.50 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.33 1fwk h GLU 271 Cb 1.29 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 29.11 1fwk h GLU 271 CO 0.57 0.26 0.00 -0.85 -1.40 0.00 0.00 179.01 177.58 1fwk n GLU 272 N -5.04 0.19 -0.11 2.33 0.28 -1.26 -3.39 120.64 113.65 1fwk n GLU 272 Ca 0.14 0.49 0.04 0.00 -0.16 0.00 0.00 57.16 57.68 1fwk n GLU 272 Cb 0.43 -1.92 0.06 0.00 1.43 0.00 0.00 31.44 31.44 1fwk n GLU 272 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 1fwk n PHE 273 N -2.28 0.00 -0.25 -1.84 3.01 -0.62 -4.85 117.46 110.62 1fwk n PHE 273 Ca 0.01 -0.58 0.09 0.00 1.01 0.00 0.00 57.45 57.97 1fwk n PHE 273 Cb 0.18 -0.09 0.34 0.00 -0.01 0.00 0.00 39.48 39.90 1fwk n PHE 273 CO 0.00 0.00 0.00 0.97 1.01 0.00 0.00 176.76 178.74 1fwk h ILE 274 N 1.40 0.94 -0.25 4.37 2.10 -1.49 -0.97 117.51 123.61 1fwk h ILE 274 Ca 0.00 -0.27 -0.07 0.00 1.08 0.00 0.00 64.86 65.60 1fwk h ILE 274 Cb 0.91 0.08 -0.01 0.00 -1.09 0.00 0.00 36.82 36.71 1fwk h ILE 274 CO 0.00 0.14 -0.10 0.44 -1.08 0.00 0.00 178.15 177.56 1fwk h ASP 275 N 0.79 0.52 -0.56 2.19 3.32 -1.88 -1.72 116.42 119.07 1fwk h ASP 275 Ca 0.40 -0.39 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 1fwk h ASP 275 Cb 0.47 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.85 1fwk h ASP 275 CO -0.17 0.80 0.12 -0.08 -1.72 0.00 0.00 179.24 178.19 1fwk h GLU 276 N 0.24 0.95 -0.15 3.56 4.81 -1.72 -0.10 114.58 122.17 1fwk h GLU 276 Ca 0.06 -0.22 -0.18 0.00 -0.13 0.00 0.00 59.36 58.89 1fwk h GLU 276 Cb 0.59 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.84 1fwk h GLU 276 CO 0.03 0.87 -0.64 0.28 -0.73 0.00 0.00 179.01 178.82 1fwk h VAL 277 N 0.91 1.33 -0.71 0.32 2.07 -1.18 -0.01 116.25 118.98 1fwk h VAL 277 Ca 0.19 -1.93 -0.06 0.00 0.82 0.00 0.00 66.70 65.72 1fwk h VAL 277 Cb 0.36 1.90 -0.03 0.00 -1.52 0.00 0.00 31.29 32.00 1fwk h VAL 277 CO 0.00 0.60 0.20 -0.08 0.02 0.00 0.00 177.57 178.31 1fwk h GLU 278 N 0.41 1.11 -0.30 1.57 4.81 -0.98 0.30 114.58 121.51 1fwk h GLU 278 Ca -0.01 -0.25 -0.12 0.00 -0.13 0.00 0.00 59.36 58.85 1fwk h GLU 278 Cb 1.21 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 30.43 1fwk h GLU 278 CO 0.12 0.96 -0.28 -0.91 -0.73 0.00 0.00 179.01 178.17 1fwk h ASN 279 N 1.06 0.76 -0.67 1.04 2.35 -0.75 -0.27 115.58 119.11 1fwk h ASN 279 Ca 0.23 -0.46 0.03 0.00 -0.55 0.00 0.00 56.30 55.54 1fwk h ASN 279 Cb 0.33 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 38.45 1fwk h ASN 279 CO -0.00 1.07 0.42 0.40 -1.65 0.00 0.00 177.43 177.66 1fwk h ILE 280 N 0.47 1.09 -0.67 2.81 2.04 -0.77 -0.99 117.51 121.48 1fwk h ILE 280 Ca 0.05 -0.28 -0.05 0.00 1.00 0.00 0.00 64.86 65.58 1fwk h ILE 280 Cb 0.85 0.20 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 1fwk h ILE 280 CO 0.07 0.15 0.22 -0.07 0.00 0.00 0.00 178.15 178.52 1fwk h LEU 281 N 0.82 0.96 -1.67 1.44 3.38 -0.71 -2.54 115.31 116.99 1fwk h LEU 281 Ca 0.27 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1fwk h LEU 281 Cb 0.02 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 1fwk h LEU 281 CO -0.10 0.91 -0.07 0.03 0.09 0.00 0.00 178.44 179.29 1fwk h ARG 282 N 0.97 0.12 -0.38 1.13 3.08 -0.36 0.21 114.38 119.14 1fwk h ARG 282 Ca 0.22 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.25 1fwk h ARG 282 Cb 0.28 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 1fwk h ARG 282 CO -0.01 0.20 0.25 -0.44 -1.07 0.00 0.00 179.97 178.91 1fwk h ASP 283 N 0.12 0.44 0.22 7.04 3.32 -0.76 -3.08 116.42 123.71 1fwk h ASP 283 Ca 0.03 -0.01 -0.34 0.00 0.02 0.00 0.00 57.03 56.72 1fwk h ASP 283 Cb 0.21 -0.11 -0.05 0.00 0.22 0.00 0.00 39.33 39.60 1fwk h ASP 283 CO 0.01 0.32 -2.06 -1.22 -1.72 0.00 0.00 179.24 174.57 1fwk n TYR 284 N -4.48 0.66 -3.60 4.55 4.02 -0.68 -4.90 117.16 112.73 1fwk n TYR 284 Ca 0.03 0.20 -0.23 0.00 -0.01 0.00 0.00 57.90 57.88 1fwk n TYR 284 Cb 0.06 -1.11 -0.16 0.00 -0.02 0.00 0.00 39.34 38.11 1fwk n TYR 284 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 1fwk s TYR 285 N -2.55 0.08 0.32 -0.72 1.51 0.64 -5.02 117.35 111.60 1fwk s TYR 285 Ca -0.14 -0.09 0.04 0.00 -1.01 0.00 0.00 57.07 55.87 1fwk s TYR 285 Cb 0.07 -0.58 0.66 0.00 -0.11 0.00 0.00 41.96 42.00 1fwk s TYR 285 CO 0.78 -0.47 1.87 0.93 -1.11 0.00 0.00 175.55 177.56 1fwk h GLU 286 N 8.40 0.85 -4.47 -0.62 5.08 -1.83 -3.28 114.58 118.71 1fwk h GLU 286 Ca -0.15 -0.05 -0.71 0.00 -1.00 0.00 0.00 59.36 57.45 1fwk h GLU 286 Cb 1.14 -0.19 -0.09 0.00 0.50 0.00 0.00 28.75 30.11 1fwk h GLU 286 CO 0.26 0.56 2.48 -1.71 -1.00 0.00 0.00 179.01 179.60 1fwk n ASN 287 N -4.56 4.54 -4.32 1.42 2.85 -1.26 -4.92 115.26 109.02 1fwk n ASN 287 Ca 0.17 -2.93 -0.32 0.00 -0.11 0.00 0.00 54.58 51.38 1fwk n ASN 287 Cb 0.35 -1.64 -0.15 0.00 1.24 0.00 0.00 39.78 39.58 1fwk n ASN 287 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 1fwk s THR 288 N 2.73 2.54 -0.04 -0.44 2.01 -1.23 -0.86 115.64 120.35 1fwk s THR 288 Ca 0.47 -0.87 0.07 0.00 0.31 0.00 0.00 61.69 61.67 1fwk s THR 288 Cb 0.09 -2.00 -0.01 0.00 0.01 0.00 0.00 72.50 70.58 1fwk s THR 288 CO -0.02 0.55 -0.24 -0.63 -0.69 0.00 0.00 174.62 173.60 1fwk s ILE 289 N 0.09 1.93 -0.20 1.82 1.01 0.04 -4.97 121.20 120.93 1fwk s ILE 289 Ca -0.09 -1.02 -0.08 0.00 0.00 0.00 0.00 60.65 59.46 1fwk s ILE 289 Cb -0.15 -1.62 -0.04 0.00 0.01 0.00 0.00 42.46 40.65 1fwk s ILE 289 CO 0.06 0.54 0.08 -0.60 0.00 0.00 0.00 174.94 175.02 1fwk s ARG 290 N -0.33 3.98 0.00 2.79 3.52 -1.26 -0.75 118.95 126.89 1fwk s ARG 290 Ca 0.02 -0.34 0.00 0.00 -0.13 0.00 0.00 55.73 55.28 1fwk s ARG 290 Cb -0.12 -3.28 0.00 0.00 -1.56 0.00 0.00 34.95 30.00 1fwk s ARG 290 CO 0.01 0.21 0.00 -2.37 -0.81 0.00 0.00 175.30 172.34 1fwk n THR 291 N 3.75 0.00 -3.87 4.11 5.66 0.14 -4.98 114.28 119.09 1fwk n THR 291 Ca -0.16 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.74 1fwk n THR 291 Cb 0.52 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 69.31 1fwk n THR 291 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 175.07 170.19 1fwk s GLU 292 N 1.15 2.20 0.24 1.09 -1.05 -1.26 -1.30 118.70 119.75 1fwk s GLU 292 Ca 0.00 -1.53 -0.30 0.00 -0.15 0.00 0.00 54.97 52.99 1fwk s GLU 292 Cb 0.00 0.59 -0.10 0.00 -0.44 0.00 0.00 34.13 34.18 1fwk s GLU 292 CO 0.00 -1.01 1.39 0.08 0.95 0.00 0.00 175.26 176.67 1fwk s VAL 293 N -2.39 2.84 0.55 1.83 1.01 -1.22 -1.42 120.40 121.61 1fwk s VAL 293 Ca 0.19 0.71 0.05 0.00 0.00 0.00 0.00 61.98 62.93 1fwk s VAL 293 Cb -0.04 -3.45 0.06 0.00 0.00 0.00 0.00 36.38 32.94 1fwk s VAL 293 CO 0.14 0.11 0.75 -0.83 0.00 0.00 0.00 175.10 175.27 1fwk s GLY 294 N 0.31 1.83 0.00 4.51 0.00 0.66 -4.50 107.32 110.13 1fwk s GLY 294 Ca 0.58 -1.75 0.17 0.00 0.00 0.00 0.00 44.72 43.73 1fwk s GLY 294 CO 0.42 -1.39 1.23 0.28 0.00 0.00 0.00 173.10 173.63 1fwk n LYS 295 N -2.25 2.11 0.00 2.90 4.76 -1.26 -1.48 118.16 122.94 1fwk n LYS 295 Ca 0.11 -1.95 0.00 0.00 -2.87 0.00 0.00 58.31 53.60 1fwk n LYS 295 Cb 0.60 -1.38 0.00 0.00 -1.84 0.00 0.00 35.03 32.41 1fwk n LYS 295 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1fwk n GLY 296 N 1.05 0.33 3.71 0.72 0.00 -1.26 -3.90 105.19 105.84 1fwk n GLY 296 Ca 0.14 -2.07 -0.40 0.00 0.00 0.00 0.00 46.02 43.69 1fwk n GLY 296 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1fwk n VAL 297 N 0.00 2.73 -3.74 1.61 0.31 0.30 -4.74 118.33 114.80 1fwk n VAL 297 Ca 0.00 -0.50 -0.13 0.00 -0.01 0.00 0.00 64.34 63.70 1fwk n VAL 297 Cb 0.00 -1.61 -0.08 0.00 -0.91 0.00 0.00 33.84 31.24 1fwk n VAL 297 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 1fwk s GLU 298 N -2.32 0.78 0.18 5.55 -1.05 -0.90 -5.00 118.70 115.94 1fwk s GLU 298 Ca 0.62 -0.34 -0.30 0.00 -0.15 0.00 0.00 54.97 54.80 1fwk s GLU 298 Cb -0.49 0.34 -0.09 0.00 -0.44 0.00 0.00 34.13 33.46 1fwk s GLU 298 CO 0.57 -0.24 1.36 0.08 0.95 0.00 0.00 175.26 177.98 1fwk s VAL 299 N -2.01 3.16 -2.02 1.83 1.01 -1.26 -1.26 120.40 119.86 1fwk s VAL 299 Ca -0.09 0.91 0.16 0.00 0.00 0.00 0.00 61.98 62.97 1fwk s VAL 299 Cb -0.03 -3.58 0.13 0.00 0.00 0.00 0.00 36.38 32.90 1fwk s VAL 299 CO 0.00 0.12 1.01 0.55 0.00 0.00 0.00 175.10 176.78