#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nwk s ALA 7 N 0.00 2.76 0.12 2.41 0.00 -1.26 -4.40 121.76 121.38 1nwk s ALA 7 Ca 0.00 0.45 0.06 0.00 0.00 0.00 0.00 51.96 52.47 1nwk s ALA 7 Cb 0.00 -3.24 -0.04 0.00 0.00 0.00 0.00 23.12 19.84 1nwk s ALA 7 CO 0.00 -0.72 -0.04 -0.51 0.00 0.00 0.00 175.76 174.49 1nwk s LEU 8 N -4.29 3.28 -0.11 0.00 1.43 -0.28 -0.65 118.68 118.06 1nwk s LEU 8 Ca 0.65 -0.30 -0.00 0.00 -1.03 0.00 0.00 54.13 53.44 1nwk s LEU 8 Cb -0.16 -2.02 0.02 0.00 0.03 0.00 0.00 46.19 44.06 1nwk s LEU 8 CO 0.33 0.16 -0.08 -0.69 0.23 0.00 0.00 176.35 176.30 1nwk s VAL 9 N -1.38 1.00 -0.19 -1.59 1.01 -0.31 -0.85 120.40 118.09 1nwk s VAL 9 Ca 0.25 -0.28 0.01 0.00 0.00 0.00 0.00 61.98 61.96 1nwk s VAL 9 Cb -0.11 -1.02 0.03 0.00 0.00 0.00 0.00 36.38 35.29 1nwk s VAL 9 CO 0.17 0.36 -0.16 0.00 0.00 0.00 0.00 175.10 175.47 1nwk s ASP 11 N 1.32 5.15 -0.39 0.00 2.15 0.54 -2.72 116.67 122.72 1nwk s ASP 11 Ca 0.02 -1.83 -0.20 0.00 0.43 0.00 0.00 52.55 50.96 1nwk s ASP 11 Cb -0.15 -1.79 0.01 0.00 -0.30 0.00 0.00 42.92 40.69 1nwk s ASP 11 CO -0.10 -0.46 0.63 0.20 -0.17 0.00 0.00 175.17 175.27 1nwk s ASN 12 N 1.62 6.38 0.45 -0.34 -0.87 -1.26 -1.19 114.94 119.72 1nwk s ASN 12 Ca 0.05 -0.05 0.08 0.00 -1.57 0.00 0.00 52.86 51.37 1nwk s ASN 12 Cb -0.22 -2.32 -0.00 0.00 -0.02 0.00 0.00 41.25 38.69 1nwk s ASN 12 CO -0.03 -0.66 0.45 -0.83 -2.57 0.00 0.00 177.10 173.45 1nwk s GLY 13 N 1.87 2.10 0.42 0.66 0.00 -0.23 -4.96 107.32 107.18 1nwk s GLY 13 Ca 0.23 -1.81 0.10 0.00 0.00 0.00 0.00 44.72 43.25 1nwk s GLY 13 CO 0.16 -1.69 2.00 1.48 0.00 0.00 0.00 173.10 175.05 1nwk h SER 14 N 0.86 0.25 0.00 1.64 4.64 -1.91 -3.32 113.55 115.71 1nwk h SER 14 Ca -0.40 -0.03 -0.15 0.00 -0.47 0.00 0.00 61.79 60.74 1nwk h SER 14 Cb 1.27 -0.06 -0.03 0.00 -0.31 0.00 0.00 62.40 63.27 1nwk h SER 14 CO 0.54 0.30 -1.57 0.61 -0.87 0.00 0.00 176.83 175.83 1nwk n GLY 15 N -1.18 -0.30 3.03 -0.77 0.00 -1.26 -4.71 105.19 100.00 1nwk n GLY 15 Ca -0.00 -0.11 -0.15 0.00 0.00 0.00 0.00 46.02 45.76 1nwk n GLY 15 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nwk s LEU 16 N -5.01 2.13 -0.18 0.99 1.43 -1.25 -0.94 118.68 115.86 1nwk s LEU 16 Ca -0.08 -0.33 -0.09 0.00 -1.03 0.00 0.00 54.13 52.60 1nwk s LEU 16 Cb 0.03 -0.29 -0.05 0.00 0.03 0.00 0.00 46.19 45.92 1nwk s LEU 16 CO 0.30 -0.05 0.12 -0.69 0.23 0.00 0.00 176.35 176.26 1nwk s VAL 17 N -0.74 5.32 -0.16 -1.59 1.01 0.34 -1.07 120.40 123.51 1nwk s VAL 17 Ca -0.03 0.15 0.01 0.00 0.00 0.00 0.00 61.98 62.12 1nwk s VAL 17 Cb -0.06 -3.40 0.01 0.00 0.00 0.00 0.00 36.38 32.93 1nwk s VAL 17 CO 0.00 0.48 -0.19 -0.54 0.00 0.00 0.00 175.10 174.85 1nwk s LYS 18 N 0.06 3.05 0.03 2.72 3.01 -0.33 -2.05 119.74 126.23 1nwk s LYS 18 Ca 0.09 -0.82 -0.01 0.00 -1.01 0.00 0.00 55.97 54.22 1nwk s LYS 18 Cb -0.11 -2.55 -0.03 0.00 -1.01 0.00 0.00 37.83 34.13 1nwk s LYS 18 CO -0.00 -0.11 -0.02 0.00 0.51 0.00 0.00 175.35 175.73 1nwk s ALA 19 N 1.06 0.29 0.00 5.17 0.00 0.28 -0.34 121.76 128.21 1nwk s ALA 19 Ca -0.01 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.08 1nwk s ALA 19 Cb -0.14 0.21 0.00 0.00 0.00 0.00 0.00 23.12 23.19 1nwk s ALA 19 CO -0.07 -0.26 0.00 0.41 0.00 0.00 0.00 175.76 175.84 1nwk n GLY 20 N 0.88 -1.15 3.87 0.00 0.00 -0.83 -1.09 105.19 106.88 1nwk n GLY 20 Ca -0.19 -0.86 -0.36 0.00 0.00 0.00 0.00 46.02 44.61 1nwk n GLY 20 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1nwk s PHE 21 N -3.00 3.57 0.32 1.61 0.40 -1.26 -1.17 117.98 118.45 1nwk s PHE 21 Ca 0.00 0.49 -0.29 0.00 -0.60 0.00 0.00 56.93 56.53 1nwk s PHE 21 Cb 0.00 -1.92 -0.12 0.00 0.51 0.00 0.00 43.02 41.50 1nwk s PHE 21 CO 0.00 0.71 1.48 0.00 0.70 0.00 0.00 175.22 178.11 1nwk n ALA 22 N 1.85 2.05 0.00 5.36 0.00 0.18 -1.88 120.51 128.07 1nwk n ALA 22 Ca -0.19 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1nwk n ALA 22 Cb 0.55 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.61 1nwk n ALA 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nwk n GLY 23 N 1.34 2.49 3.77 0.00 0.00 -1.25 -4.78 105.19 106.76 1nwk n GLY 23 Ca 0.06 -0.34 -0.35 0.00 0.00 0.00 0.00 46.02 45.38 1nwk n GLY 23 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1nwk s ASP 24 N 0.23 5.59 0.18 1.61 1.01 -0.79 -4.92 116.67 119.58 1nwk s ASP 24 Ca 0.00 2.23 0.26 0.00 0.71 0.00 0.00 52.55 55.75 1nwk s ASP 24 Cb 0.00 -2.59 0.89 0.00 1.01 0.00 0.00 42.92 42.24 1nwk s ASP 24 CO 0.00 -1.31 1.78 0.47 0.21 0.00 0.00 175.17 176.32 1nwk n ASP 25 N -1.37 0.66 -3.56 0.27 9.92 -1.26 -4.87 116.55 116.34 1nwk n ASP 25 Ca 0.12 0.58 -0.12 0.00 -0.53 0.00 0.00 54.79 54.84 1nwk n ASP 25 Cb 0.51 -0.75 -0.04 0.00 -0.64 0.00 0.00 41.12 40.20 1nwk n ASP 25 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1nwk s ALA 26 N -3.11 -1.22 0.33 2.24 0.00 -1.26 -4.92 121.76 113.81 1nwk s ALA 26 Ca 0.10 0.30 -0.29 0.00 0.00 0.00 0.00 51.96 52.08 1nwk s ALA 26 Cb 0.13 0.63 -0.10 0.00 0.00 0.00 0.00 23.12 23.77 1nwk s ALA 26 CO 0.55 -0.62 1.39 -1.25 0.00 0.00 0.00 175.76 175.82 1nwk s PRO 27 N -3.30 4.27 0.26 0.00 0.04 -1.26 -4.87 135.00 130.14 1nwk s PRO 27 Ca -0.00 2.33 0.17 0.00 0.04 0.00 0.00 61.00 63.54 1nwk s PRO 27 Cb 0.00 -3.05 0.07 0.00 0.04 0.00 0.00 34.50 31.56 1nwk s PRO 27 CO -0.09 -0.33 1.34 0.00 0.04 0.00 0.00 177.00 177.96 1nwk h ARG 28 N 3.65 0.00 -4.69 4.56 3.08 -1.60 -3.45 114.38 115.93 1nwk h ARG 28 Ca -0.49 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.01 1nwk h ARG 28 Cb 1.23 0.00 -0.34 0.00 0.08 0.00 0.00 29.97 30.94 1nwk h ARG 28 CO 0.68 0.35 -0.83 0.00 -1.07 0.00 0.00 179.97 179.10 1nwk s ALA 29 N -3.03 1.50 -0.06 0.04 0.00 -0.25 -5.02 121.76 114.95 1nwk s ALA 29 Ca 0.03 -0.58 -0.02 0.00 0.00 0.00 0.00 51.96 51.39 1nwk s ALA 29 Cb 0.07 -0.68 0.03 0.00 0.00 0.00 0.00 23.12 22.55 1nwk s ALA 29 CO 0.75 0.07 0.06 0.08 0.00 0.00 0.00 175.76 176.72 1nwk s VAL 30 N 0.74 -0.09 0.10 0.00 1.01 -1.26 -0.56 120.40 120.34 1nwk s VAL 30 Ca -0.12 0.34 -0.10 0.00 0.00 0.00 0.00 61.98 62.09 1nwk s VAL 30 Cb -0.16 -0.22 0.00 0.00 0.00 0.00 0.00 36.38 36.00 1nwk s VAL 30 CO 0.03 0.12 0.22 0.72 0.00 0.00 0.00 175.10 176.19 1nwk s PHE 31 N 2.16 0.11 0.25 5.22 -0.71 -0.87 -4.96 117.98 119.18 1nwk s PHE 31 Ca 0.05 -0.52 -0.31 0.00 -1.04 0.00 0.00 56.93 55.10 1nwk s PHE 31 Cb -0.13 -0.01 -0.12 0.00 -1.21 0.00 0.00 43.02 41.55 1nwk s PHE 31 CO -0.04 -0.57 1.67 -2.30 -1.34 0.00 0.00 175.22 172.64 1nwk n PRO 32 N -0.09 2.76 -1.65 1.99 -0.02 -1.26 -0.50 135.00 136.22 1nwk n PRO 32 Ca -0.15 0.99 -0.41 0.00 -2.02 0.00 0.00 63.50 61.91 1nwk n PRO 32 Cb 0.63 -2.81 -0.01 0.00 -0.02 0.00 0.00 33.50 31.29 1nwk n PRO 32 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1nwk n SER 33 N 3.13 6.53 -4.12 2.55 2.88 -0.11 -3.84 113.62 120.63 1nwk n SER 33 Ca 0.12 -2.79 -0.23 0.00 -1.33 0.00 0.00 58.87 54.65 1nwk n SER 33 Cb 0.36 -1.56 -0.15 0.00 -0.75 0.00 0.00 64.21 62.10 1nwk n SER 33 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1nwk s ILE 34 N 1.96 1.17 -0.07 2.46 1.01 -1.26 -4.32 121.20 122.15 1nwk s ILE 34 Ca 0.57 -0.68 0.04 0.00 0.00 0.00 0.00 60.65 60.58 1nwk s ILE 34 Cb 0.16 -0.98 -0.00 0.00 0.01 0.00 0.00 42.46 41.64 1nwk s ILE 34 CO -0.07 0.30 -0.21 -0.69 0.00 0.00 0.00 174.94 174.27 1nwk s VAL 35 N -0.40 1.77 -0.14 2.92 1.01 -0.23 -1.18 120.40 124.14 1nwk s VAL 35 Ca 0.05 -0.87 -0.03 0.00 0.00 0.00 0.00 61.98 61.13 1nwk s VAL 35 Cb -0.06 -1.53 -0.03 0.00 0.00 0.00 0.00 36.38 34.77 1nwk s VAL 35 CO -0.00 0.50 -0.03 -0.83 0.00 0.00 0.00 175.10 174.73 1nwk s GLY 36 N 0.21 1.74 -0.05 4.51 0.00 0.88 -0.53 107.32 114.08 1nwk s GLY 36 Ca -0.11 -0.82 0.04 0.00 0.00 0.00 0.00 44.72 43.83 1nwk s GLY 36 CO 0.05 -0.20 -0.18 0.50 0.00 0.00 0.00 173.10 173.27 1nwk s ARG 37 N 0.05 1.94 0.51 2.90 0.52 -0.44 -1.40 118.95 123.03 1nwk s ARG 37 Ca 0.00 -0.64 -0.21 0.00 -0.52 0.00 0.00 55.73 54.37 1nwk s ARG 37 Cb -0.13 -1.65 -0.08 0.00 0.52 0.00 0.00 34.95 33.61 1nwk s ARG 37 CO 0.03 0.23 0.92 -2.30 0.02 0.00 0.00 175.30 174.20 1nwk n PRO 38 N 3.22 1.07 -0.96 3.54 -0.02 -1.26 -0.04 135.00 140.56 1nwk n PRO 38 Ca -0.19 0.40 -0.11 0.00 -2.02 0.00 0.00 63.50 61.58 1nwk n PRO 38 Cb 0.53 -2.04 0.22 0.00 -0.02 0.00 0.00 33.50 32.19 1nwk n PRO 38 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1nwk n ARG 39 N -0.30 2.90 -4.12 -0.52 1.74 -1.19 -4.74 116.66 110.43 1nwk n ARG 39 Ca 0.11 -2.63 -0.10 0.00 -0.77 0.00 0.00 57.85 54.46 1nwk n ARG 39 Cb 0.43 -2.07 -0.10 0.00 -1.02 0.00 0.00 32.46 29.70 1nwk n ARG 39 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1nwk s SER 52 N -0.86 0.89 0.23 0.55 1.04 -1.26 -5.08 113.70 109.21 1nwk s SER 52 Ca 0.48 -0.88 0.09 0.00 0.48 0.00 0.00 55.95 56.12 1nwk s SER 52 Cb 0.39 0.11 -0.05 0.00 0.10 0.00 0.00 66.02 66.57 1nwk s SER 52 CO 0.11 -0.43 -0.17 -0.31 0.98 0.00 0.00 173.24 173.42 1nwk s TYR 53 N -3.10 1.92 0.01 5.02 1.51 -0.49 -4.95 117.35 117.27 1nwk s TYR 53 Ca 0.05 -0.48 0.03 0.00 -1.01 0.00 0.00 57.07 55.66 1nwk s TYR 53 Cb 0.02 -0.88 -0.01 0.00 -0.11 0.00 0.00 41.96 40.98 1nwk s TYR 53 CO -0.05 0.48 -0.09 0.08 -1.11 0.00 0.00 175.55 174.86 1nwk s VAL 54 N -2.71 0.74 0.00 0.71 1.01 -1.26 -0.08 120.40 118.80 1nwk s VAL 54 Ca 0.24 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.68 1nwk s VAL 54 Cb -0.03 -0.65 0.00 0.00 0.00 0.00 0.00 36.38 35.71 1nwk s VAL 54 CO 0.10 0.11 0.00 0.61 0.00 0.00 0.00 175.10 175.91 1nwk n GLY 55 N 2.57 1.10 0.37 4.51 0.00 -0.33 -3.51 105.19 109.91 1nwk n GLY 55 Ca -0.15 -0.77 0.12 0.00 0.00 0.00 0.00 46.02 45.22 1nwk n GLY 55 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1nwk h ASP 56 N 9.24 0.60 -0.57 1.61 3.32 -1.91 -0.49 116.42 128.22 1nwk h ASP 56 Ca 0.00 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.05 1nwk h ASP 56 Cb 0.00 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 39.43 1nwk h ASP 56 CO 0.00 0.32 0.27 -0.33 -1.72 0.00 0.00 179.24 177.78 1nwk h GLU 57 N 0.64 0.86 -0.08 3.56 5.08 -1.97 -1.91 114.58 120.76 1nwk h GLU 57 Ca 0.41 -0.12 -0.08 0.00 -1.00 0.00 0.00 59.36 58.57 1nwk h GLU 57 Cb 0.67 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1nwk h GLU 57 CO -0.17 0.68 -0.25 0.00 -1.00 0.00 0.00 179.01 178.27 1nwk h ALA 58 N 1.45 0.14 -0.60 3.43 0.00 -1.22 -3.25 119.26 119.20 1nwk h ALA 58 Ca 0.21 -0.40 0.07 0.00 0.00 0.00 0.00 54.91 54.79 1nwk h ALA 58 Cb 0.12 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.83 1nwk h ALA 58 CO -0.02 0.13 0.27 1.96 0.00 0.00 0.00 179.25 181.59 1nwk h GLN 59 N -0.17 0.49 -0.55 0.00 4.20 -1.24 -1.49 115.11 116.35 1nwk h GLN 59 Ca -0.01 -0.03 0.15 0.00 0.06 0.00 0.00 58.65 58.82 1nwk h GLN 59 Cb 0.87 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.52 1nwk h GLN 59 CO 0.05 0.32 0.39 1.03 -0.67 0.00 0.00 178.83 179.95 1nwk h SER 60 N 0.50 0.05 -0.90 1.46 0.87 -1.40 -2.41 113.55 111.72 1nwk h SER 60 Ca 0.29 0.00 -0.42 0.00 -1.23 0.00 0.00 61.79 60.43 1nwk h SER 60 Cb 0.28 -0.01 -0.25 0.00 -0.44 0.00 0.00 62.40 61.98 1nwk h SER 60 CO -0.24 0.03 0.52 0.29 -0.53 0.00 0.00 176.83 176.90 1nwk n LYS 61 N -4.39 2.63 -1.70 2.24 5.02 -0.56 -5.00 118.16 116.40 1nwk n LYS 61 Ca 0.10 -3.04 -0.40 0.00 -2.02 0.00 0.00 58.31 52.95 1nwk n LYS 61 Cb 0.59 -2.17 0.02 0.00 -0.02 0.00 0.00 35.03 33.45 1nwk n LYS 61 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1nwk n ARG 62 N -0.88 1.72 0.00 1.97 0.63 -0.91 -2.05 116.66 117.14 1nwk n ARG 62 Ca 0.54 0.62 0.00 0.00 -0.92 0.00 0.00 57.85 58.09 1nwk n ARG 62 Cb 1.57 -2.39 0.00 0.00 0.45 0.00 0.00 32.46 32.10 1nwk n ARG 62 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1nwk n GLY 63 N 0.87 2.57 0.06 5.14 0.00 -1.26 -4.60 105.19 107.97 1nwk n GLY 63 Ca 0.08 -0.66 0.13 0.00 0.00 0.00 0.00 46.02 45.58 1nwk n GLY 63 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1nwk n ILE 64 N 0.00 0.33 -4.38 -0.61 -5.35 -1.08 -4.76 119.36 103.50 1nwk n ILE 64 Ca 0.00 -0.16 -0.19 0.00 -0.27 0.00 0.00 62.75 62.13 1nwk n ILE 64 Cb 0.00 -0.53 -0.14 0.00 -1.74 0.00 0.00 39.64 37.23 1nwk n ILE 64 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1nwk s LEU 65 N -3.85 2.09 -0.07 7.28 1.43 -0.87 -3.20 118.68 121.49 1nwk s LEU 65 Ca 0.12 -0.31 -0.20 0.00 -1.03 0.00 0.00 54.13 52.71 1nwk s LEU 65 Cb 0.15 -0.53 -0.04 0.00 0.03 0.00 0.00 46.19 45.80 1nwk s LEU 65 CO 0.57 0.07 0.57 -0.89 0.23 0.00 0.00 176.35 176.90 1nwk s THR 66 N -0.54 5.07 0.05 5.49 2.01 0.95 -4.59 115.64 124.08 1nwk s THR 66 Ca 0.02 1.17 -0.15 0.00 0.31 0.00 0.00 61.69 63.05 1nwk s THR 66 Cb -0.06 -3.91 -0.06 0.00 0.01 0.00 0.00 72.50 68.48 1nwk s THR 66 CO 0.00 0.33 0.46 -0.76 -0.69 0.00 0.00 174.62 173.96 1nwk s LEU 67 N 0.44 4.45 -0.03 4.42 1.43 -1.26 -1.32 118.68 126.79 1nwk s LEU 67 Ca 0.31 1.01 0.02 0.00 -1.03 0.00 0.00 54.13 54.44 1nwk s LEU 67 Cb -0.17 -2.81 0.01 0.00 0.03 0.00 0.00 46.19 43.25 1nwk s LEU 67 CO 0.14 0.26 -0.10 -0.54 0.23 0.00 0.00 176.35 176.35 1nwk s LYS 68 N -1.35 1.11 -0.59 1.70 1.02 0.31 -4.99 119.74 116.95 1nwk s LYS 68 Ca 0.28 -0.33 -0.08 0.00 0.02 0.00 0.00 55.97 55.87 1nwk s LYS 68 Cb -0.16 -1.01 0.15 0.00 -0.52 0.00 0.00 37.83 36.29 1nwk s LYS 68 CO 0.16 0.10 0.46 0.71 -0.92 0.00 0.00 175.35 175.86 1nwk s TYR 69 N 0.29 3.50 0.31 3.18 1.51 -1.26 -1.07 117.35 123.81 1nwk s TYR 69 Ca -0.05 -2.19 0.36 0.00 -1.01 0.00 0.00 57.07 54.18 1nwk s TYR 69 Cb -0.10 -3.46 1.90 0.00 -0.11 0.00 0.00 41.96 40.19 1nwk s TYR 69 CO 0.01 -0.94 2.10 -1.00 -1.11 0.00 0.00 175.55 174.61 1nwk h PRO 70 N 7.84 0.00 -4.89 -1.71 0.13 -1.91 -3.39 132.00 128.07 1nwk h PRO 70 Ca -0.08 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.38 1nwk h PRO 70 Cb 1.03 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 31.85 1nwk h PRO 70 CO 0.79 0.00 -0.73 0.42 -0.23 0.00 0.00 178.00 178.25 1nwk s ILE 71 N -3.89 3.05 -0.51 -3.56 1.01 -1.26 0.24 121.20 116.27 1nwk s ILE 71 Ca -0.03 -0.98 0.04 0.00 0.00 0.00 0.00 60.65 59.67 1nwk s ILE 71 Cb 0.10 -2.56 0.41 0.00 0.01 0.00 0.00 42.46 40.42 1nwk s ILE 71 CO 0.36 0.17 1.28 -0.62 0.00 0.00 0.00 174.94 176.13 1nwk n GLU 72 N 4.70 3.31 0.00 2.79 1.02 -1.26 -4.49 120.64 126.70 1nwk n GLU 72 Ca -0.16 -4.32 0.00 0.00 -0.02 0.00 0.00 57.16 52.66 1nwk n GLU 72 Cb 0.47 -2.25 0.00 0.00 -0.02 0.00 0.00 31.44 29.64 1nwk n GLU 72 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1nwk n GLY 74 N -0.49 0.00 3.70 0.62 0.00 -1.26 -4.70 105.19 103.05 1nwk n GLY 74 Ca 0.42 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.09 1nwk n GLY 74 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nwk s ILE 75 N -0.06 4.84 0.07 -0.61 -1.09 -1.26 -4.11 121.20 118.97 1nwk s ILE 75 Ca 0.00 -0.03 -0.31 0.00 -2.23 0.00 0.00 60.65 58.08 1nwk s ILE 75 Cb 0.00 -3.13 -0.07 0.00 -1.58 0.00 0.00 42.46 37.68 1nwk s ILE 75 CO 0.00 0.53 1.43 -0.63 -1.23 0.00 0.00 174.94 175.04 1nwk s ILE 76 N -0.25 3.41 -0.09 2.92 1.01 -1.26 -4.39 121.20 122.54 1nwk s ILE 76 Ca 0.08 0.93 0.05 0.00 0.00 0.00 0.00 60.65 61.71 1nwk s ILE 76 Cb -0.12 -3.60 -0.07 0.00 0.01 0.00 0.00 42.46 38.68 1nwk s ILE 76 CO 0.01 0.04 0.15 0.35 0.00 0.00 0.00 174.94 175.49 1nwk n THR 77 N 4.29 0.00 -3.69 2.92 -2.24 0.14 -4.94 114.28 110.76 1nwk n THR 77 Ca 0.13 -0.22 -0.26 0.00 -2.27 0.00 0.00 64.05 61.43 1nwk n THR 77 Cb 0.42 0.62 -0.17 0.00 -2.10 0.00 0.00 70.33 69.10 1nwk n THR 77 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1nwk s ASN 78 N -2.16 2.35 0.26 3.42 3.84 -1.22 -5.04 114.94 116.39 1nwk s ASN 78 Ca -0.00 -0.55 0.09 0.00 0.21 0.00 0.00 52.86 52.60 1nwk s ASN 78 Cb 0.03 -0.41 0.31 0.00 -0.55 0.00 0.00 41.25 40.63 1nwk s ASN 78 CO 0.21 -0.30 1.58 -0.50 -2.79 0.00 0.00 177.10 175.31 1nwk h TRP 79 N 8.33 0.07 -0.34 0.43 4.06 -1.92 -1.57 115.95 125.01 1nwk h TRP 79 Ca -0.16 -0.03 -0.15 0.00 2.06 0.00 0.00 58.89 60.61 1nwk h TRP 79 Cb 1.13 -0.01 -0.01 0.00 -1.00 0.00 0.00 29.16 29.27 1nwk h TRP 79 CO 0.29 0.67 -0.39 -0.44 -3.56 0.00 0.00 178.44 175.01 1nwk h ASP 80 N 0.04 0.89 -0.07 -3.49 3.32 -1.99 -0.90 116.42 114.22 1nwk h ASP 80 Ca -0.01 -0.41 -0.19 0.00 0.02 0.00 0.00 57.03 56.45 1nwk h ASP 80 Cb 1.13 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 40.43 1nwk h ASP 80 CO 0.09 1.17 -0.63 0.44 -1.72 0.00 0.00 179.24 178.59 1nwk h ASP 81 N 0.68 0.78 -0.44 6.45 3.32 -1.98 -2.70 116.42 122.52 1nwk h ASP 81 Ca 0.05 -0.45 -0.06 0.00 0.02 0.00 0.00 57.03 56.60 1nwk h ASP 81 Cb 0.96 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.27 1nwk h ASP 81 CO 0.09 1.22 0.08 -0.03 -1.72 0.00 0.00 179.24 178.87 1nwk h MET 82 N 0.50 0.79 -0.89 3.56 4.05 -1.19 -1.33 114.93 120.42 1nwk h MET 82 Ca -0.01 -0.18 -0.02 0.00 -0.28 0.00 0.00 59.70 59.22 1nwk h MET 82 Cb 1.22 -0.11 -0.04 0.00 -0.80 0.00 0.00 31.60 31.87 1nwk h MET 82 CO 0.13 0.74 0.48 1.49 0.23 0.00 0.00 176.91 179.98 1nwk h GLU 83 N 0.75 1.24 -0.57 0.39 4.81 -1.02 -0.67 114.58 119.51 1nwk h GLU 83 Ca 0.16 -0.14 -0.10 0.00 -0.13 0.00 0.00 59.36 59.15 1nwk h GLU 83 Cb 0.34 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 1nwk h GLU 83 CO 0.01 0.90 -0.03 0.87 -0.73 0.00 0.00 179.01 180.03 1nwk h LYS 84 N 1.24 1.01 -0.37 1.92 1.79 -1.04 -0.80 116.57 120.32 1nwk h LYS 84 Ca 0.31 -0.33 -0.02 0.00 -2.18 0.00 0.00 60.65 58.43 1nwk h LYS 84 Cb 0.03 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 30.57 1nwk h LYS 84 CO -0.05 1.01 0.14 0.82 -1.08 0.00 0.00 179.45 180.29 1nwk h ILE 85 N 0.92 1.19 -0.65 1.86 2.04 -0.53 -0.77 117.51 121.57 1nwk h ILE 85 Ca 0.16 -0.60 -0.07 0.00 1.00 0.00 0.00 64.86 65.35 1nwk h ILE 85 Cb 0.58 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 37.53 1nwk h ILE 85 CO 0.03 0.21 0.12 -0.50 0.00 0.00 0.00 178.15 178.02 1nwk h TRP 86 N 0.45 1.11 -0.67 1.37 6.55 -0.99 -0.89 115.95 122.88 1nwk h TRP 86 Ca 0.12 -0.14 -0.01 0.00 0.95 0.00 0.00 58.89 59.81 1nwk h TRP 86 Cb 0.19 -0.31 -0.03 0.00 -0.86 0.00 0.00 29.16 28.15 1nwk h TRP 86 CO -0.00 0.93 0.40 1.25 -1.05 0.00 0.00 178.44 179.96 1nwk h HIS 87 N 0.99 0.89 -0.73 0.49 2.76 -0.89 -1.99 115.15 116.68 1nwk h HIS 87 Ca 0.20 -0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.34 1nwk h HIS 87 Cb 0.41 -0.29 -0.03 0.00 1.55 0.00 0.00 27.41 29.04 1nwk h HIS 87 CO 0.03 0.61 0.35 1.25 -1.30 0.00 0.00 177.93 178.87 1nwk h HIS 88 N 0.91 1.05 0.06 5.26 -0.00 -0.79 -1.18 115.15 120.46 1nwk h HIS 88 Ca 0.24 -0.05 0.00 0.00 -0.00 0.00 0.00 60.37 60.56 1nwk h HIS 88 Cb -0.01 -0.32 -0.01 0.00 -0.00 0.00 0.00 27.41 27.07 1nwk h HIS 88 CO -0.01 0.77 -0.06 1.15 -0.00 0.00 0.00 177.93 179.78 1nwk h THR 89 N 1.02 0.86 0.26 6.26 2.02 -0.71 -0.53 112.91 122.08 1nwk h THR 89 Ca 0.25 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.42 1nwk h THR 89 Cb 0.12 0.86 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 1nwk h THR 89 CO -0.03 0.00 -0.12 -0.26 0.37 0.00 0.00 175.52 175.47 1nwk h PHE 90 N -0.13 -0.32 0.00 3.16 0.04 -1.26 0.53 116.94 118.94 1nwk h PHE 90 Ca 0.00 -0.01 -0.16 0.00 2.80 0.00 0.00 57.97 60.61 1nwk h PHE 90 Cb 0.13 0.11 -0.03 0.00 2.20 0.00 0.00 35.95 38.36 1nwk h PHE 90 CO -0.10 0.04 -1.04 1.88 -0.60 0.00 0.00 178.31 178.49 1nwk h TYR 91 N -0.83 0.00 0.00 -0.55 0.05 -1.30 0.42 116.97 114.75 1nwk h TYR 91 Ca -0.04 0.00 -0.26 0.00 0.05 0.00 0.00 58.73 58.48 1nwk h TYR 91 Cb 0.51 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.21 1nwk h TYR 91 CO 0.05 0.64 -1.96 0.09 -1.05 0.00 0.00 178.16 175.92 1nwk n ASN 92 N -3.09 2.37 -0.04 3.88 5.03 -0.35 -4.27 115.26 118.79 1nwk n ASN 92 Ca -0.05 -0.02 -0.01 0.00 0.87 0.00 0.00 54.58 55.37 1nwk n ASN 92 Cb 0.83 -0.32 -0.00 0.00 -1.02 0.00 0.00 39.78 39.26 1nwk n ASN 92 CO 0.00 0.00 0.00 -0.33 -1.83 0.00 0.00 177.26 175.10 1nwk h GLU 93 N -0.15 0.00 0.00 3.52 4.39 -1.19 -3.40 114.58 117.76 1nwk h GLU 93 Ca -0.39 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.13 1nwk h GLU 93 Cb 1.54 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 30.16 1nwk h GLU 93 CO -0.11 0.00 -0.87 -0.07 -1.16 0.00 0.00 179.01 176.80 1nwk h LEU 94 N -0.67 0.00 -2.13 1.33 3.38 -1.02 -3.48 115.31 112.71 1nwk h LEU 94 Ca 0.00 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.62 1nwk h LEU 94 Cb 0.12 0.00 0.13 0.00 0.09 0.00 0.00 40.66 41.00 1nwk h LEU 94 CO 0.00 0.87 -0.84 0.54 0.09 0.00 0.00 178.44 179.10 1nwk n ARG 95 N -3.40 -4.12 -4.49 1.13 1.74 0.91 -5.00 116.66 103.44 1nwk n ARG 95 Ca 0.00 0.73 -0.24 0.00 -0.77 0.00 0.00 57.85 57.58 1nwk n ARG 95 Cb 0.86 -5.41 -0.10 0.00 -1.02 0.00 0.00 32.46 26.78 1nwk n ARG 95 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1nwk s VAL 96 N -3.48 1.91 -0.51 1.55 -7.23 0.11 -4.97 120.40 107.77 1nwk s VAL 96 Ca 0.20 -2.15 -0.17 0.00 -1.81 0.00 0.00 61.98 58.05 1nwk s VAL 96 Cb -0.04 -2.57 0.09 0.00 0.56 0.00 0.00 36.38 34.43 1nwk s VAL 96 CO 0.78 -0.24 0.50 0.00 -0.31 0.00 0.00 175.10 175.83 1nwk s ALA 97 N -2.83 3.55 0.47 1.32 0.00 -1.26 -4.39 121.76 118.62 1nwk s ALA 97 Ca 0.31 -2.22 0.23 0.00 0.00 0.00 0.00 51.96 50.28 1nwk s ALA 97 Cb 0.03 -3.23 1.26 0.00 0.00 0.00 0.00 23.12 21.18 1nwk s ALA 97 CO 0.14 -1.94 1.87 -1.00 0.00 0.00 0.00 175.76 174.84 1nwk h PRO 98 N 8.88 0.22 0.00 0.00 0.13 -1.92 -0.80 132.00 138.51 1nwk h PRO 98 Ca -0.29 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1nwk h PRO 98 Cb 1.10 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1nwk h PRO 98 CO 0.97 0.14 0.00 -0.85 -0.23 0.00 0.00 178.00 178.04 1nwk n GLU 99 N -4.42 0.02 -0.01 0.86 0.00 -1.25 -2.16 120.64 113.67 1nwk n GLU 99 Ca 0.19 0.37 0.09 0.00 0.00 0.00 0.00 57.16 57.81 1nwk n GLU 99 Cb 0.80 -1.54 0.08 0.00 0.00 0.00 0.00 31.44 30.78 1nwk n GLU 99 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1nwk n GLU 100 N -1.58 1.57 -4.35 3.44 1.02 -0.31 -4.07 120.64 116.36 1nwk n GLU 100 Ca 0.02 -1.62 -0.21 0.00 -0.02 0.00 0.00 57.16 55.33 1nwk n GLU 100 Cb 0.10 -1.35 -0.16 0.00 -0.02 0.00 0.00 31.44 30.01 1nwk n GLU 100 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1nwk s HIS 101 N -1.48 1.01 0.38 -0.32 3.76 -0.92 -4.68 115.29 113.05 1nwk s HIS 101 Ca 0.22 -0.32 -0.27 0.00 -0.15 0.00 0.00 55.06 54.54 1nwk s HIS 101 Cb 0.15 -0.80 -0.09 0.00 1.11 0.00 0.00 32.58 32.95 1nwk s HIS 101 CO 0.23 -0.20 1.26 -2.14 -0.85 0.00 0.00 174.74 173.04 1nwk s PRO 102 N 0.71 4.10 -0.12 8.40 0.02 -1.26 -4.29 135.00 142.56 1nwk s PRO 102 Ca -0.12 2.08 0.02 0.00 0.02 0.00 0.00 61.00 63.00 1nwk s PRO 102 Cb -0.14 -2.83 0.01 0.00 0.02 0.00 0.00 34.50 31.56 1nwk s PRO 102 CO 0.02 -0.35 -0.18 0.99 -0.33 0.00 0.00 177.00 177.14 1nwk s THR 103 N -1.26 1.74 -0.20 0.99 2.01 0.17 -1.13 115.64 117.96 1nwk s THR 103 Ca 0.55 -0.79 -0.10 0.00 0.31 0.00 0.00 61.69 61.65 1nwk s THR 103 Cb -0.36 -1.56 -0.05 0.00 0.01 0.00 0.00 72.50 70.53 1nwk s THR 103 CO 0.47 0.49 0.13 -0.22 -0.69 0.00 0.00 174.62 174.80 1nwk s LEU 104 N 0.88 4.16 0.20 4.42 0.20 -0.03 -1.79 118.68 126.72 1nwk s LEU 104 Ca -0.07 0.20 0.10 0.00 0.69 0.00 0.00 54.13 55.04 1nwk s LEU 104 Cb -0.15 -2.08 -0.04 0.00 -0.43 0.00 0.00 46.19 43.48 1nwk s LEU 104 CO -0.01 0.16 -0.14 -0.76 -0.29 0.00 0.00 176.35 175.31 1nwk s LEU 105 N 0.46 2.78 0.22 -0.68 1.43 0.45 -1.19 118.68 122.15 1nwk s LEU 105 Ca 0.07 -0.72 0.08 0.00 -1.03 0.00 0.00 54.13 52.54 1nwk s LEU 105 Cb -0.11 -1.45 -0.04 0.00 0.03 0.00 0.00 46.19 44.61 1nwk s LEU 105 CO -0.01 0.10 -0.01 0.42 0.23 0.00 0.00 176.35 177.08 1nwk s THR 106 N -1.81 3.57 0.04 5.49 -4.23 -1.10 -1.33 115.64 116.27 1nwk s THR 106 Ca 0.24 -1.66 0.00 0.00 -1.18 0.00 0.00 61.69 59.10 1nwk s THR 106 Cb -0.08 -2.85 -0.03 0.00 1.34 0.00 0.00 72.50 70.89 1nwk s THR 106 CO 0.14 -0.23 -0.04 -1.83 -0.54 0.00 0.00 174.62 172.12 1nwk s GLU 107 N -3.28 0.48 0.78 3.99 -1.05 -0.31 -4.67 118.70 114.64 1nwk s GLU 107 Ca 0.29 -0.89 -0.11 0.00 -0.15 0.00 0.00 54.97 54.11 1nwk s GLU 107 Cb -0.08 0.06 0.06 0.00 -0.44 0.00 0.00 34.13 33.73 1nwk s GLU 107 CO 0.19 -0.05 1.08 0.00 0.95 0.00 0.00 175.26 177.43 1nwk s ALA 108 N -2.44 2.24 0.42 -0.84 0.00 -1.26 -1.13 121.76 118.74 1nwk s ALA 108 Ca -0.05 0.04 -0.25 0.00 0.00 0.00 0.00 51.96 51.70 1nwk s ALA 108 Cb -0.03 -3.19 -0.08 0.00 0.00 0.00 0.00 23.12 19.82 1nwk s ALA 108 CO -0.04 -1.72 1.25 -2.14 0.00 0.00 0.00 175.76 173.11 1nwk s PRO 109 N -5.01 3.93 -1.29 0.00 0.02 -1.26 -2.74 135.00 128.65 1nwk s PRO 109 Ca 0.61 2.02 0.00 0.00 0.02 0.00 0.00 61.00 63.64 1nwk s PRO 109 Cb -0.16 -2.67 0.00 0.00 0.02 0.00 0.00 34.50 31.70 1nwk s PRO 109 CO 0.56 -0.48 0.00 1.28 -0.33 0.00 0.00 177.00 178.02 1nwk n LEU 110 N -0.02 -1.44 -4.70 -5.54 4.77 -1.26 -4.97 117.00 103.84 1nwk n LEU 110 Ca 0.05 0.10 -0.42 0.00 -0.03 0.00 0.00 56.01 55.71 1nwk n LEU 110 Cb 0.45 -2.12 -0.03 0.00 -2.33 0.00 0.00 43.42 39.39 1nwk n LEU 110 CO 0.53 -0.34 0.99 0.21 -1.33 0.00 0.00 177.39 177.46 1nwk s ASN 111 N -2.52 6.96 0.46 -1.43 2.47 -1.11 -4.97 114.94 114.81 1nwk s ASN 111 Ca 0.00 2.08 -0.24 0.00 0.42 0.00 0.00 52.86 55.12 1nwk s ASN 111 Cb 0.00 -2.57 -0.08 0.00 -1.45 0.00 0.00 41.25 37.14 1nwk s ASN 111 CO 0.00 -0.59 1.26 -2.65 -3.72 0.00 0.00 177.10 171.41 1nwk n PRO 112 N 4.46 1.80 -0.29 0.43 -0.02 -1.26 -4.89 135.00 135.23 1nwk n PRO 112 Ca 0.11 0.65 0.01 0.00 -2.02 0.00 0.00 63.50 62.25 1nwk n PRO 112 Cb 0.45 -2.41 0.21 0.00 -0.02 0.00 0.00 33.50 31.73 1nwk n PRO 112 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1nwk h LYS 113 N 1.81 1.08 -0.54 -0.52 1.57 -2.00 -1.60 116.57 116.37 1nwk h LYS 113 Ca -0.49 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.24 1nwk h LYS 113 Cb 1.30 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 33.34 1nwk h LYS 113 CO 0.58 0.72 0.36 0.00 -0.57 0.00 0.00 179.45 180.54 1nwk h ALA 114 N 1.48 1.64 -0.35 3.86 0.00 -1.99 -1.15 119.26 122.74 1nwk h ALA 114 Ca 0.34 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.17 1nwk h ALA 114 Cb -0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1nwk h ALA 114 CO -0.10 0.33 0.02 -0.91 0.00 0.00 0.00 179.25 178.59 1nwk h ASN 115 N 0.71 0.59 -0.70 0.00 4.21 -1.66 -1.34 115.58 117.40 1nwk h ASN 115 Ca 0.20 -0.29 -0.01 0.00 1.21 0.00 0.00 56.30 57.41 1nwk h ASN 115 Cb -0.05 -0.16 -0.03 0.00 -1.12 0.00 0.00 38.32 36.96 1nwk h ASN 115 CO -0.05 0.74 0.41 -0.09 -1.29 0.00 0.00 177.43 177.15 1nwk h ARG 116 N 0.42 0.97 -0.40 0.81 2.43 -1.09 -0.66 114.38 116.86 1nwk h ARG 116 Ca 0.10 -0.09 -0.09 0.00 -0.81 0.00 0.00 59.98 59.09 1nwk h ARG 116 Cb 0.43 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 1nwk h ARG 116 CO 0.01 0.69 -0.11 0.93 -1.51 0.00 0.00 179.97 179.99 1nwk h GLU 117 N 0.98 0.78 -0.67 0.20 5.08 -0.96 -1.86 114.58 118.13 1nwk h GLU 117 Ca 0.25 -0.31 -0.08 0.00 -1.00 0.00 0.00 59.36 58.23 1nwk h GLU 117 Cb -0.01 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 1nwk h GLU 117 CO -0.05 0.92 0.11 -0.22 -1.00 0.00 0.00 179.01 178.77 1nwk h LYS 118 N 0.59 1.11 -0.48 2.33 1.63 -0.81 -0.55 116.57 120.39 1nwk h LYS 118 Ca 0.10 -0.30 0.02 0.00 -0.85 0.00 0.00 60.65 59.62 1nwk h LYS 118 Cb 0.64 -0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 32.11 1nwk h LYS 118 CO 0.04 1.01 0.30 0.52 -3.45 0.00 0.00 179.45 177.87 1nwk h MET 119 N 1.03 0.58 -0.52 1.90 2.86 -1.01 -1.25 114.93 118.51 1nwk h MET 119 Ca 0.20 -0.03 -0.05 0.00 -2.06 0.00 0.00 59.70 57.75 1nwk h MET 119 Cb 0.44 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.95 1nwk h MET 119 CO 0.01 0.38 0.12 1.15 1.06 0.00 0.00 176.91 179.64 1nwk h THR 120 N 0.60 1.24 -0.73 2.22 2.02 -1.01 -1.86 112.91 115.40 1nwk h THR 120 Ca 0.19 -0.88 -0.02 0.00 0.77 0.00 0.00 66.41 66.47 1nwk h THR 120 Cb -0.01 0.81 -0.03 0.00 -1.74 0.00 0.00 68.15 67.18 1nwk h THR 120 CO -0.07 0.32 0.39 -0.61 0.37 0.00 0.00 175.52 175.91 1nwk h GLN 121 N 0.73 1.03 -0.33 6.66 -0.00 -0.76 -2.46 115.11 119.98 1nwk h GLN 121 Ca 0.16 -0.13 -0.04 0.00 -0.00 0.00 0.00 58.65 58.64 1nwk h GLN 121 Cb 0.35 -0.20 -0.01 0.00 0.00 0.00 0.00 27.48 27.62 1nwk h GLN 121 CO 0.00 0.78 0.05 0.82 0.00 0.00 0.00 178.83 180.48 1nwk h ILE 122 N 1.01 1.24 -0.70 2.39 2.04 -1.06 -0.36 117.51 122.06 1nwk h ILE 122 Ca 0.26 -0.83 0.01 0.00 1.00 0.00 0.00 64.86 65.30 1nwk h ILE 122 Cb 0.06 1.13 -0.04 0.00 -0.74 0.00 0.00 36.82 37.23 1nwk h ILE 122 CO -0.04 0.28 0.46 0.24 0.00 0.00 0.00 178.15 179.08 1nwk h MET 123 N 0.38 0.90 0.11 2.37 2.86 -1.15 0.16 114.93 120.56 1nwk h MET 123 Ca 0.10 -0.05 -0.18 0.00 -2.06 0.00 0.00 59.70 57.50 1nwk h MET 123 Cb 0.35 -0.20 0.02 0.00 0.06 0.00 0.00 31.60 31.83 1nwk h MET 123 CO 0.01 0.59 -0.79 0.74 1.06 0.00 0.00 176.91 178.52 1nwk h PHE 124 N 0.92 0.58 0.10 -0.22 0.04 -1.40 -1.21 116.94 115.76 1nwk h PHE 124 Ca 0.26 -0.40 -0.30 0.00 2.80 0.00 0.00 57.97 60.34 1nwk h PHE 124 Cb -0.07 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.03 1nwk h PHE 124 CO -0.03 1.28 -1.50 0.93 -0.60 0.00 0.00 178.31 178.40 1nwk h GLU 125 N -0.29 0.22 0.01 1.51 5.08 -1.07 -2.51 114.58 117.53 1nwk h GLU 125 Ca -0.13 -0.38 -0.20 0.00 -1.00 0.00 0.00 59.36 57.65 1nwk h GLU 125 Cb 1.59 0.14 -0.03 0.00 0.50 0.00 0.00 28.75 30.95 1nwk h GLU 125 CO 0.15 1.08 -1.08 1.15 -1.00 0.00 0.00 179.01 179.30 1nwk h THR 126 N 0.06 1.06 -0.00 1.13 2.02 -0.84 -3.40 112.91 112.94 1nwk h THR 126 Ca -0.23 -2.23 0.00 0.00 0.77 0.00 0.00 66.41 64.73 1nwk h THR 126 Cb 2.00 2.46 0.00 0.00 -1.74 0.00 0.00 68.15 70.86 1nwk h THR 126 CO 0.16 0.40 -0.81 0.49 0.37 0.00 0.00 175.52 176.13 1nwk n PHE 127 N -4.40 0.00 -3.88 3.16 3.72 -1.02 -5.00 117.46 110.03 1nwk n PHE 127 Ca -0.28 0.00 -0.29 0.00 -0.05 0.00 0.00 57.45 56.83 1nwk n PHE 127 Cb 0.67 -0.07 0.03 0.00 -0.94 0.00 0.00 39.48 39.17 1nwk n PHE 127 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1nwk n ASN 128 N -1.36 -4.17 -4.77 4.37 3.02 -0.50 -3.88 115.26 107.98 1nwk n ASN 128 Ca 0.05 -0.79 -0.35 0.00 -0.03 0.00 0.00 54.58 53.46 1nwk n ASN 128 Cb 0.34 -3.90 0.02 0.00 -0.61 0.00 0.00 39.78 35.63 1nwk n ASN 128 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1nwk s VAL 129 N -3.37 3.01 0.09 2.41 -7.23 -0.92 -4.04 120.40 110.35 1nwk s VAL 129 Ca 0.55 0.60 0.16 0.00 -1.81 0.00 0.00 61.98 61.48 1nwk s VAL 129 Cb -0.27 -3.21 0.07 0.00 0.56 0.00 0.00 36.38 33.53 1nwk s VAL 129 CO 0.83 -0.16 1.61 1.55 -0.31 0.00 0.00 175.10 178.62 1nwk h PRO 130 N 0.90 0.00 -2.56 4.82 0.13 -1.75 -3.44 132.00 130.10 1nwk h PRO 130 Ca -0.50 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.70 1nwk h PRO 130 Cb 1.27 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.27 1nwk h PRO 130 CO 0.56 0.48 0.38 0.00 -0.23 0.00 0.00 178.00 179.19 1nwk s ALA 131 N -3.37 -1.71 0.29 -0.56 0.00 -1.26 -1.53 121.76 113.61 1nwk s ALA 131 Ca 0.01 0.73 -0.15 0.00 0.00 0.00 0.00 51.96 52.55 1nwk s ALA 131 Cb 0.10 0.61 0.01 0.00 0.00 0.00 0.00 23.12 23.85 1nwk s ALA 131 CO 0.72 -0.75 0.60 0.00 0.00 0.00 0.00 175.76 176.32 1nwk s MET 132 N -3.38 1.76 -0.15 0.00 0.23 -0.23 -0.66 119.30 116.87 1nwk s MET 132 Ca 0.04 -1.25 -0.25 0.00 -1.03 0.00 0.00 55.69 53.20 1nwk s MET 132 Cb -0.01 0.53 0.06 0.00 -1.53 0.00 0.00 34.83 33.88 1nwk s MET 132 CO -0.09 -0.77 0.64 -0.47 -2.03 0.00 0.00 175.02 172.29 1nwk s TYR 133 N -3.64 -0.65 -0.12 3.16 5.04 -0.74 -0.67 117.35 119.73 1nwk s TYR 133 Ca 0.19 1.39 0.03 0.00 -2.44 0.00 0.00 57.07 56.24 1nwk s TYR 133 Cb -0.03 0.30 0.01 0.00 0.35 0.00 0.00 41.96 42.58 1nwk s TYR 133 CO 0.10 -0.45 -0.21 0.08 -1.34 0.00 0.00 175.55 173.73 1nwk s VAL 134 N -0.38 1.94 0.13 3.14 1.01 -1.26 -0.41 120.40 124.57 1nwk s VAL 134 Ca -0.05 -0.92 0.09 0.00 0.00 0.00 0.00 61.98 61.10 1nwk s VAL 134 Cb -0.03 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 1nwk s VAL 134 CO 0.05 0.53 -0.22 0.00 0.00 0.00 0.00 175.10 175.45 1nwk s ALA 135 N 0.67 2.03 0.04 5.51 0.00 -0.44 -4.98 121.76 124.59 1nwk s ALA 135 Ca -0.11 -1.37 -0.30 0.00 0.00 0.00 0.00 51.96 50.17 1nwk s ALA 135 Cb -0.16 -0.27 -0.05 0.00 0.00 0.00 0.00 23.12 22.64 1nwk s ALA 135 CO 0.02 0.39 1.08 0.42 0.00 0.00 0.00 175.76 177.67 1nwk s ILE 136 N -1.32 4.42 0.19 0.00 1.01 -1.26 -1.16 121.20 123.08 1nwk s ILE 136 Ca 0.11 1.77 -0.15 0.00 0.00 0.00 0.00 60.65 62.38 1nwk s ILE 136 Cb -0.09 -4.13 0.16 0.00 0.01 0.00 0.00 42.46 38.41 1nwk s ILE 136 CO 0.05 0.15 1.65 1.56 0.00 0.00 0.00 174.94 178.36 1nwk h GLN 137 N 6.65 0.02 -0.99 2.79 4.20 -1.44 -1.97 115.11 124.37 1nwk h GLN 137 Ca -0.42 -0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.32 1nwk h GLN 137 Cb 1.22 -0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.94 1nwk h GLN 137 CO 0.77 0.01 0.65 0.00 -0.67 0.00 0.00 178.83 179.60 1nwk h ALA 138 N 1.51 1.33 -0.54 3.87 0.00 -1.93 -1.51 119.26 122.01 1nwk h ALA 138 Ca 0.26 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 1nwk h ALA 138 Cb 0.39 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1nwk h ALA 138 CO -0.52 0.59 0.15 0.28 0.00 0.00 0.00 179.25 179.75 1nwk h VAL 139 N 1.29 1.24 -0.95 0.00 2.07 -1.78 -1.80 116.25 116.32 1nwk h VAL 139 Ca 0.38 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 67.08 1nwk h VAL 139 Cb -0.06 0.76 -0.05 0.00 -1.52 0.00 0.00 31.29 30.42 1nwk h VAL 139 CO -0.10 0.30 0.60 -0.07 0.02 0.00 0.00 177.57 178.32 1nwk h LEU 140 N 0.75 1.12 -1.18 2.57 3.38 -0.69 -0.82 115.31 120.43 1nwk h LEU 140 Ca 0.17 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.05 1nwk h LEU 140 Cb 0.31 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1nwk h LEU 140 CO -0.00 0.83 0.15 0.28 0.09 0.00 0.00 178.44 179.79 1nwk h SER 141 N 1.30 0.67 -0.31 -0.43 0.02 -0.89 -0.58 113.55 113.34 1nwk h SER 141 Ca 0.34 -0.10 -0.07 0.00 -0.84 0.00 0.00 61.79 61.13 1nwk h SER 141 Cb -0.10 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.25 1nwk h SER 141 CO -0.07 0.64 -0.09 0.25 -1.14 0.00 0.00 176.83 176.42 1nwk h LEU 142 N 0.71 0.60 -1.28 5.07 5.85 -0.46 -2.59 115.31 123.22 1nwk h LEU 142 Ca 0.17 -0.37 0.01 0.00 0.84 0.00 0.00 57.88 58.53 1nwk h LEU 142 Cb 0.21 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.04 1nwk h LEU 142 CO -0.01 0.84 0.49 1.88 -0.34 0.00 0.00 178.44 181.30 1nwk h TYR 143 N 0.37 0.92 0.00 1.25 0.05 -0.73 -0.38 116.97 118.45 1nwk h TYR 143 Ca 0.08 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.87 1nwk h TYR 143 Cb 0.58 -0.31 -0.00 0.00 1.01 0.00 0.00 36.73 38.01 1nwk h TYR 143 CO 0.05 0.57 -0.04 0.00 -1.05 0.00 0.00 178.16 177.69 1nwk h ALA 144 N 1.54 1.31 -0.26 3.88 0.00 -0.73 0.51 119.26 125.51 1nwk h ALA 144 Ca 0.28 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1nwk h ALA 144 Cb -0.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1nwk h ALA 144 CO -0.07 0.05 0.00 -1.13 0.00 0.00 0.00 179.25 178.11 1nwk n SER 145 N -3.59 2.67 -0.61 0.00 3.41 -0.18 -4.96 113.62 110.35 1nwk n SER 145 Ca -0.02 -1.87 -0.03 0.00 -0.26 0.00 0.00 58.87 56.68 1nwk n SER 145 Cb 0.15 -0.17 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 1nwk n SER 145 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1nwk n GLY 146 N 1.34 0.52 3.37 5.00 0.00 0.17 -5.07 105.19 110.52 1nwk n GLY 146 Ca 0.18 -0.67 -0.10 0.00 0.00 0.00 0.00 46.02 45.44 1nwk n GLY 146 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1nwk s ARG 147 N -4.66 1.21 0.00 1.61 1.70 -1.11 -5.03 118.95 112.66 1nwk s ARG 147 Ca 0.04 -1.15 0.02 0.00 -0.47 0.00 0.00 55.73 54.16 1nwk s ARG 147 Cb -0.02 0.40 0.01 0.00 -0.57 0.00 0.00 34.95 34.77 1nwk s ARG 147 CO 0.05 -0.45 0.48 0.25 -1.08 0.00 0.00 175.30 174.54 1nwk n THR 148 N -0.24 0.00 -4.18 4.99 -2.24 -1.26 -3.52 114.28 107.83 1nwk n THR 148 Ca -0.07 -0.50 -0.16 0.00 -2.27 0.00 0.00 64.05 61.05 1nwk n THR 148 Cb 0.63 1.03 -0.15 0.00 -2.10 0.00 0.00 70.33 69.74 1nwk n THR 148 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1nwk s THR 149 N -0.28 0.45 -5.00 4.28 2.01 -1.26 -0.53 115.64 115.31 1nwk s THR 149 Ca 0.02 -0.23 0.00 0.00 0.31 0.00 0.00 61.69 61.79 1nwk s THR 149 Cb 0.01 -0.39 0.00 0.00 0.01 0.00 0.00 72.50 72.13 1nwk s THR 149 CO 0.02 0.14 0.00 0.61 -0.69 0.00 0.00 174.62 174.70 1nwk n GLY 150 N 3.04 -1.63 3.17 4.40 0.00 -0.31 -4.90 105.19 108.96 1nwk n GLY 150 Ca -0.14 -1.52 -0.32 0.00 0.00 0.00 0.00 46.02 44.04 1nwk n GLY 150 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1nwk s ILE 151 N -1.76 2.04 -0.14 -0.61 2.07 -0.42 -0.26 121.20 122.13 1nwk s ILE 151 Ca 0.00 -0.97 -0.12 0.00 -1.41 0.00 0.00 60.65 58.15 1nwk s ILE 151 Cb 0.00 -1.80 -0.05 0.00 0.13 0.00 0.00 42.46 40.74 1nwk s ILE 151 CO 0.00 0.55 0.25 -0.69 -1.91 0.00 0.00 174.94 173.13 1nwk s VAL 152 N 0.78 5.33 -0.39 4.00 1.01 -0.20 -0.71 120.40 130.22 1nwk s VAL 152 Ca -0.08 0.45 -0.10 0.00 0.00 0.00 0.00 61.98 62.25 1nwk s VAL 152 Cb -0.16 -3.56 0.05 0.00 0.00 0.00 0.00 36.38 32.71 1nwk s VAL 152 CO -0.01 0.48 0.22 -0.22 0.00 0.00 0.00 175.10 175.56 1nwk s LEU 153 N -0.10 4.86 -0.25 3.92 2.96 0.62 -0.36 118.68 130.33 1nwk s LEU 153 Ca 0.16 -1.25 -0.05 0.00 -0.22 0.00 0.00 54.13 52.77 1nwk s LEU 153 Cb -0.13 -1.99 0.00 0.00 0.50 0.00 0.00 46.19 44.58 1nwk s LEU 153 CO 0.04 -0.45 0.00 -0.62 -1.32 0.00 0.00 176.35 174.01 1nwk s ASP 154 N 1.79 4.65 -0.13 3.68 -1.08 -0.26 -0.30 116.67 125.02 1nwk s ASP 154 Ca 0.02 -0.56 -0.01 0.00 -0.52 0.00 0.00 52.55 51.48 1nwk s ASP 154 Cb -0.21 -1.79 0.03 0.00 -1.46 0.00 0.00 42.92 39.50 1nwk s ASP 154 CO 0.04 -0.09 -0.04 -0.55 0.52 0.00 0.00 175.17 175.05 1nwk s SER 155 N 1.47 2.32 0.00 -0.34 0.15 -0.24 -0.68 113.70 116.39 1nwk s SER 155 Ca 0.04 -0.41 0.00 0.00 0.70 0.00 0.00 55.95 56.27 1nwk s SER 155 Cb -0.16 -0.76 0.00 0.00 -1.71 0.00 0.00 66.02 63.40 1nwk s SER 155 CO -0.01 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 174.87 1nwk n GLY 156 N 4.97 1.40 0.11 9.45 0.00 -0.96 -1.59 105.19 118.58 1nwk n GLY 156 Ca -0.11 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.79 1nwk n GLY 156 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1nwk n ASP 157 N 0.00 0.73 -0.00 1.61 2.03 -1.26 -1.21 116.55 118.45 1nwk n ASP 157 Ca 0.00 0.02 0.00 0.00 0.52 0.00 0.00 54.79 55.33 1nwk n ASP 157 Cb 0.00 0.42 -0.00 0.00 -0.72 0.00 0.00 41.12 40.81 1nwk n ASP 157 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1nwk n GLY 158 N 1.88 0.06 3.24 0.27 0.00 -1.26 -0.88 105.19 108.49 1nwk n GLY 158 Ca -0.35 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.56 1nwk n GLY 158 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nwk s VAL 159 N -1.95 0.10 -0.05 1.61 0.11 -1.26 -4.19 120.40 114.78 1nwk s VAL 159 Ca -0.00 -0.85 0.03 0.00 -2.93 0.00 0.00 61.98 58.23 1nwk s VAL 159 Cb 0.00 -1.09 0.00 0.00 -1.53 0.00 0.00 36.38 33.76 1nwk s VAL 159 CO 0.01 -0.47 -0.15 -0.89 -3.33 0.00 0.00 175.10 170.27 1nwk s THR 160 N -3.15 1.26 0.08 5.04 2.01 -0.47 -2.25 115.64 118.16 1nwk s THR 160 Ca -0.01 -0.60 0.05 0.00 0.31 0.00 0.00 61.69 61.44 1nwk s THR 160 Cb 0.01 -1.10 -0.03 0.00 0.01 0.00 0.00 72.50 71.39 1nwk s THR 160 CO -0.07 0.37 -0.13 -1.00 -0.69 0.00 0.00 174.62 173.10 1nwk s HIS 161 N 0.23 1.15 -0.21 4.92 3.76 0.15 -0.26 115.29 125.02 1nwk s HIS 161 Ca -0.07 -0.51 -0.02 0.00 -0.15 0.00 0.00 55.06 54.31 1nwk s HIS 161 Cb -0.12 -0.64 0.00 0.00 1.11 0.00 0.00 32.58 32.93 1nwk s HIS 161 CO 0.02 0.04 -0.08 -0.80 -0.85 0.00 0.00 174.74 173.07 1nwk s ASN 162 N -1.91 4.01 -0.28 1.40 0.01 -0.40 -1.11 114.94 116.67 1nwk s ASN 162 Ca -0.01 -0.50 0.00 0.00 -0.71 0.00 0.00 52.86 51.65 1nwk s ASN 162 Cb -0.08 -1.67 0.08 0.00 0.41 0.00 0.00 41.25 39.99 1nwk s ASN 162 CO 0.02 -0.03 0.04 -0.69 -1.51 0.00 0.00 177.10 174.94 1nwk s VAL 163 N 1.42 1.23 0.13 1.60 1.01 0.51 -1.72 120.40 124.59 1nwk s VAL 163 Ca 0.05 -1.41 -0.30 0.00 0.00 0.00 0.00 61.98 60.32 1nwk s VAL 163 Cb -0.14 -1.79 -0.06 0.00 0.00 0.00 0.00 36.38 34.38 1nwk s VAL 163 CO -0.06 -0.46 1.01 -2.16 0.00 0.00 0.00 175.10 173.43 1nwk s PRO 164 N 1.47 4.66 -0.06 2.72 0.04 -1.26 -1.03 135.00 141.54 1nwk s PRO 164 Ca 0.05 1.54 0.02 0.00 0.04 0.00 0.00 61.00 62.64 1nwk s PRO 164 Cb -0.18 -3.35 0.02 0.00 0.04 0.00 0.00 34.50 31.03 1nwk s PRO 164 CO -0.15 0.16 -0.09 0.42 0.04 0.00 0.00 177.00 177.38 1nwk s ILE 165 N -0.04 0.89 -0.20 0.56 1.01 0.64 -1.52 121.20 122.55 1nwk s ILE 165 Ca 0.48 -0.33 0.01 0.00 0.00 0.00 0.00 60.65 60.82 1nwk s ILE 165 Cb -0.25 -0.85 0.03 0.00 0.01 0.00 0.00 42.46 41.40 1nwk s ILE 165 CO 0.31 0.31 -0.15 -0.47 0.00 0.00 0.00 174.94 174.94 1nwk s TYR 166 N 0.83 2.70 -1.34 3.97 5.04 -0.08 -1.16 117.35 127.31 1nwk s TYR 166 Ca -0.12 -1.71 -0.04 0.00 -2.44 0.00 0.00 57.07 52.76 1nwk s TYR 166 Cb -0.15 -1.80 -0.00 0.00 0.35 0.00 0.00 41.96 40.36 1nwk s TYR 166 CO 0.02 -0.79 0.53 0.39 -1.34 0.00 0.00 175.55 174.36 1nwk n GLU 167 N 4.62 -3.18 -0.40 4.97 1.02 -0.77 -1.44 120.64 125.46 1nwk n GLU 167 Ca -0.17 0.45 0.00 0.00 -0.02 0.00 0.00 57.16 57.41 1nwk n GLU 167 Cb 0.48 -4.55 0.00 0.00 -0.02 0.00 0.00 31.44 27.35 1nwk n GLU 167 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1nwk n GLY 168 N -1.86 2.12 3.43 0.62 0.00 0.31 -5.01 105.19 104.80 1nwk n GLY 168 Ca -0.27 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.39 1nwk n GLY 168 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1nwk s TYR 169 N -3.37 3.06 -0.09 1.61 5.04 -0.52 -5.02 117.35 118.06 1nwk s TYR 169 Ca 0.00 -0.50 -0.30 0.00 -2.44 0.00 0.00 57.07 53.83 1nwk s TYR 169 Cb 0.00 -2.19 -0.02 0.00 0.35 0.00 0.00 41.96 40.11 1nwk s TYR 169 CO 0.00 -0.36 1.05 0.00 -1.34 0.00 0.00 175.55 174.90 1nwk s ALA 170 N 1.45 3.41 -0.83 3.97 0.00 -1.26 -0.90 121.76 127.59 1nwk s ALA 170 Ca 0.05 0.44 -0.23 0.00 0.00 0.00 0.00 51.96 52.22 1nwk s ALA 170 Cb -0.15 -3.45 0.06 0.00 0.00 0.00 0.00 23.12 19.59 1nwk s ALA 170 CO 0.02 -0.61 1.23 -0.51 0.00 0.00 0.00 175.76 175.89 1nwk s LEU 171 N 1.97 3.85 0.28 0.00 1.43 -0.58 -4.92 118.68 120.73 1nwk s LEU 171 Ca 0.50 -1.12 0.03 0.00 -1.03 0.00 0.00 54.13 52.51 1nwk s LEU 171 Cb -0.20 -2.50 0.67 0.00 0.03 0.00 0.00 46.19 44.19 1nwk s LEU 171 CO 0.20 -1.53 1.72 -0.65 0.23 0.00 0.00 176.35 176.32 1nwk h PRO 172 N 9.66 0.48 0.00 1.29 0.11 -1.93 -1.39 132.00 140.21 1nwk h PRO 172 Ca -0.08 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.01 1nwk h PRO 172 Cb 1.04 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.04 1nwk h PRO 172 CO 1.27 0.32 0.00 1.12 -0.21 0.00 0.00 178.00 180.50 1nwk h HIS 173 N 0.49 0.00 -0.17 0.65 2.07 -1.97 -2.78 115.15 113.45 1nwk h HIS 173 Ca 0.53 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.05 1nwk h HIS 173 Cb 0.93 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.91 1nwk h HIS 173 CO -0.11 0.00 0.00 0.00 -3.07 0.00 0.00 177.93 174.75 1nwk n ALA 174 N -2.06 2.42 -2.32 6.11 0.00 -0.53 -4.98 120.51 119.14 1nwk n ALA 174 Ca -0.01 -0.80 -0.42 0.00 0.00 0.00 0.00 53.44 52.21 1nwk n ALA 174 Cb 0.18 -0.61 -0.03 0.00 0.00 0.00 0.00 19.45 18.99 1nwk n ALA 174 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1nwk s ILE 175 N -1.32 4.01 0.05 0.00 1.01 -1.05 -4.59 121.20 119.31 1nwk s ILE 175 Ca 0.25 1.53 0.05 0.00 0.00 0.00 0.00 60.65 62.47 1nwk s ILE 175 Cb 0.16 -3.98 -0.04 0.00 0.01 0.00 0.00 42.46 38.61 1nwk s ILE 175 CO 0.22 0.16 -0.06 -0.04 0.00 0.00 0.00 174.94 175.23 1nwk s MET 176 N 0.60 2.43 -0.04 2.79 -1.94 -0.70 -4.97 119.30 117.46 1nwk s MET 176 Ca 0.55 -0.83 0.02 0.00 -1.71 0.00 0.00 55.69 53.72 1nwk s MET 176 Cb -0.29 -2.45 0.01 0.00 2.01 0.00 0.00 34.83 34.11 1nwk s MET 176 CO 0.31 0.56 -0.09 0.50 -0.01 0.00 0.00 175.02 176.29 1nwk s ARG 177 N -1.82 1.17 -0.21 2.03 3.52 -1.26 -1.27 118.95 121.10 1nwk s ARG 177 Ca 0.20 -0.31 0.01 0.00 -0.13 0.00 0.00 55.73 55.50 1nwk s ARG 177 Cb -0.11 -1.05 0.05 0.00 -1.56 0.00 0.00 34.95 32.27 1nwk s ARG 177 CO 0.11 0.06 -0.08 -1.17 -0.81 0.00 0.00 175.30 173.41 1nwk s LEU 178 N 0.46 2.30 -0.90 -0.88 2.96 0.64 -5.01 118.68 118.24 1nwk s LEU 178 Ca -0.08 -0.95 -0.07 0.00 -0.22 0.00 0.00 54.13 52.81 1nwk s LEU 178 Cb -0.12 -1.18 -0.12 0.00 0.50 0.00 0.00 46.19 45.27 1nwk s LEU 178 CO 0.01 -0.18 2.72 0.47 -1.32 0.00 0.00 176.35 178.06 1nwk n ASP 179 N 4.70 6.17 -3.71 3.68 8.00 -1.26 -1.37 116.55 132.76 1nwk n ASP 179 Ca -0.14 -2.40 -0.12 0.00 0.71 0.00 0.00 54.79 52.84 1nwk n ASP 179 Cb 0.46 -1.29 -0.13 0.00 -0.02 0.00 0.00 41.12 40.15 1nwk n ASP 179 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1nwk s LEU 180 N 0.09 0.17 0.00 0.64 0.20 -1.26 -4.96 118.68 113.56 1nwk s LEU 180 Ca 0.56 0.60 0.00 0.00 0.69 0.00 0.00 54.13 55.97 1nwk s LEU 180 Cb 0.18 0.82 0.00 0.00 -0.43 0.00 0.00 46.19 46.76 1nwk s LEU 180 CO -0.03 -0.19 0.00 0.00 -0.29 0.00 0.00 176.35 175.84 1nwk n ALA 181 N 4.51 0.00 -0.30 5.97 0.00 -1.26 -3.85 120.51 125.58 1nwk n ALA 181 Ca -0.21 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.36 1nwk n ALA 181 Cb 0.52 0.00 0.30 0.00 0.00 0.00 0.00 19.45 20.28 1nwk n ALA 181 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1nwk h GLY 182 N 0.00 1.51 0.73 0.00 0.00 -1.09 -1.60 103.07 102.61 1nwk h GLY 182 Ca 0.00 -0.16 0.04 0.00 0.00 0.00 0.00 47.33 47.21 1nwk h GLY 182 CO 0.00 -0.27 0.18 -0.09 0.00 0.00 0.00 176.54 176.37 1nwk h ARG 183 N 0.39 0.36 -0.26 4.80 2.43 -1.27 -0.91 114.38 119.92 1nwk h ARG 183 Ca 0.55 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.61 1nwk h ARG 183 Cb 1.05 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.50 1nwk h ARG 183 CO -0.53 0.24 -0.24 -0.44 -1.51 0.00 0.00 179.97 177.49 1nwk h ASP 184 N 0.37 0.50 -0.21 -3.80 3.32 -1.53 -2.25 116.42 112.82 1nwk h ASP 184 Ca 0.18 -0.17 -0.12 0.00 0.02 0.00 0.00 57.03 56.94 1nwk h ASP 184 Cb 0.12 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 1nwk h ASP 184 CO -0.15 0.74 -0.30 -0.07 -1.72 0.00 0.00 179.24 177.74 1nwk h LEU 185 N 0.44 0.73 -0.26 1.55 3.38 -0.83 -0.54 115.31 119.80 1nwk h LEU 185 Ca 0.07 -0.29 -0.04 0.00 0.09 0.00 0.00 57.88 57.71 1nwk h LEU 185 Cb 0.66 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1nwk h LEU 185 CO 0.05 0.99 0.02 0.74 0.09 0.00 0.00 178.44 180.33 1nwk h THR 186 N 0.61 1.24 -0.62 0.22 2.02 -1.02 -0.70 112.91 114.66 1nwk h THR 186 Ca 0.07 -0.84 -0.03 0.00 0.77 0.00 0.00 66.41 66.38 1nwk h THR 186 Cb 0.81 1.29 -0.03 0.00 -1.74 0.00 0.00 68.15 68.48 1nwk h THR 186 CO 0.07 0.27 0.26 0.44 0.37 0.00 0.00 175.52 176.92 1nwk h ASP 187 N 0.24 0.81 -0.39 4.18 3.32 -1.25 -1.52 116.42 121.81 1nwk h ASP 187 Ca 0.08 -0.10 -0.12 0.00 0.02 0.00 0.00 57.03 56.90 1nwk h ASP 187 Cb 0.37 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 1nwk h ASP 187 CO 0.01 0.72 -0.23 0.22 -1.72 0.00 0.00 179.24 178.24 1nwk h TYR 188 N 0.88 0.99 -0.78 4.55 3.20 -0.89 -2.23 116.97 122.70 1nwk h TYR 188 Ca 0.21 -0.26 -0.05 0.00 3.14 0.00 0.00 58.73 61.77 1nwk h TYR 188 Cb 0.16 -0.22 -0.03 0.00 1.54 0.00 0.00 36.73 38.17 1nwk h TYR 188 CO 0.01 1.04 0.31 1.25 -1.64 0.00 0.00 178.16 179.13 1nwk h LEU 189 N 0.66 1.08 -0.84 2.82 5.85 -0.81 -1.26 115.31 122.81 1nwk h LEU 189 Ca 0.08 -0.17 0.06 0.00 0.84 0.00 0.00 57.88 58.69 1nwk h LEU 189 Cb 0.80 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 41.49 1nwk h LEU 189 CO 0.07 0.96 0.52 0.24 -0.34 0.00 0.00 178.44 179.89 1nwk h MET 190 N 1.14 0.94 0.08 1.25 2.86 -1.09 -1.47 114.93 118.64 1nwk h MET 190 Ca 0.26 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.84 1nwk h MET 190 Cb 0.22 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 31.67 1nwk h MET 190 CO -0.02 0.62 -0.04 -0.22 1.06 0.00 0.00 176.91 178.32 1nwk h LYS 191 N 0.97 -0.10 0.00 1.72 1.63 -0.78 -3.22 116.57 116.79 1nwk h LYS 191 Ca 0.36 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.17 1nwk h LYS 191 Cb 0.14 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.79 1nwk h LYS 191 CO -0.16 0.25 0.00 -0.84 -3.45 0.00 0.00 179.45 175.25 1nwk h ILE 192 N -0.47 0.00 0.00 2.00 3.07 -1.12 -2.42 117.51 118.57 1nwk h ILE 192 Ca -0.01 -0.46 0.00 0.00 1.55 0.00 0.00 64.86 65.94 1nwk h ILE 192 Cb 0.40 1.42 0.00 0.00 -0.27 0.00 0.00 36.82 38.37 1nwk h ILE 192 CO 0.02 0.00 0.00 0.18 -1.05 0.00 0.00 178.15 177.30 1nwk n LEU 193 N -2.94 0.37 0.13 0.16 4.77 -0.56 -2.04 117.00 116.88 1nwk n LEU 193 Ca 0.01 0.58 -0.02 0.00 -0.03 0.00 0.00 56.01 56.56 1nwk n LEU 193 Cb 0.29 -0.53 0.12 0.00 -2.33 0.00 0.00 43.42 40.98 1nwk n LEU 193 CO 0.26 -0.38 0.44 0.71 -1.33 0.00 0.00 177.39 177.08 1nwk h THR 194 N 0.00 1.41 -0.95 -5.08 1.35 -1.41 -2.84 112.91 105.39 1nwk h THR 194 Ca 0.00 -2.34 0.16 0.00 -0.55 0.00 0.00 66.41 63.68 1nwk h THR 194 Cb 0.35 2.29 -0.08 0.00 -1.73 0.00 0.00 68.15 68.97 1nwk h THR 194 CO 0.00 0.65 0.60 -0.33 -0.25 0.00 0.00 175.52 176.20 1nwk h GLU 195 N 0.00 0.70 -0.17 4.72 5.08 -1.58 0.58 114.58 123.92 1nwk h GLU 195 Ca -0.01 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1nwk h GLU 195 Cb 1.23 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.32 1nwk h GLU 195 CO 0.09 0.46 0.00 0.54 -1.00 0.00 0.00 179.01 179.10 1nwk n ARG 196 N -4.62 1.44 -0.05 2.33 1.74 -1.18 -4.88 116.66 111.44 1nwk n ARG 196 Ca 0.20 -0.68 0.00 0.00 -0.77 0.00 0.00 57.85 56.60 1nwk n ARG 196 Cb 0.52 -1.21 0.00 0.00 -1.02 0.00 0.00 32.46 30.75 1nwk n ARG 196 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1nwk n GLY 197 N 0.86 1.25 3.78 -0.13 0.00 0.20 -5.04 105.19 106.11 1nwk n GLY 197 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.74 1nwk n GLY 197 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1nwk s TYR 198 N -2.49 3.44 -0.29 1.61 2.02 -1.08 -4.96 117.35 115.60 1nwk s TYR 198 Ca 0.00 1.70 0.01 0.00 -0.37 0.00 0.00 57.07 58.41 1nwk s TYR 198 Cb 0.00 -3.07 0.08 0.00 -0.40 0.00 0.00 41.96 38.57 1nwk s TYR 198 CO 0.00 -0.34 0.02 -1.54 -1.57 0.00 0.00 175.55 172.13 1nwk s SER 199 N -1.51 4.14 -0.32 2.29 1.04 -1.26 -3.27 113.70 114.81 1nwk s SER 199 Ca 0.54 -1.58 -0.05 0.00 0.48 0.00 0.00 55.95 55.34 1nwk s SER 199 Cb -0.22 -1.20 0.04 0.00 0.10 0.00 0.00 66.02 64.74 1nwk s SER 199 CO 0.28 -0.33 0.06 -0.36 0.98 0.00 0.00 173.24 173.87 1nwk s PHE 200 N 1.33 3.25 0.00 5.02 0.40 -1.26 -4.92 117.98 121.80 1nwk s PHE 200 Ca 0.04 -1.57 0.00 0.00 -0.60 0.00 0.00 56.93 54.80 1nwk s PHE 200 Cb -0.18 -2.21 0.00 0.00 0.51 0.00 0.00 43.02 41.14 1nwk s PHE 200 CO -0.12 -0.75 0.00 1.33 0.70 0.00 0.00 175.22 176.38 1nwk n VAL 201 N 4.74 0.00 -1.51 -0.44 0.24 -1.26 -4.86 118.33 115.24 1nwk n VAL 201 Ca -0.13 0.00 -0.29 0.00 -2.04 0.00 0.00 64.34 61.88 1nwk n VAL 201 Cb 0.44 -0.35 0.13 0.00 -1.47 0.00 0.00 33.84 32.59 1nwk n VAL 201 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 1nwk s THR 202 N -1.46 2.22 0.20 3.34 -4.23 -1.26 -4.81 115.64 109.65 1nwk s THR 202 Ca 0.00 0.07 -0.10 0.00 -1.18 0.00 0.00 61.69 60.48 1nwk s THR 202 Cb 0.00 -2.80 0.14 0.00 1.34 0.00 0.00 72.50 71.19 1nwk s THR 202 CO 0.00 -0.09 1.86 0.74 -0.54 0.00 0.00 174.62 176.58 1nwk h THR 203 N -1.45 1.20 -0.76 3.99 2.02 -1.99 0.58 112.91 116.50 1nwk h THR 203 Ca -0.50 -0.42 -0.06 0.00 0.77 0.00 0.00 66.41 66.21 1nwk h THR 203 Cb 1.32 0.16 -0.03 0.00 -1.74 0.00 0.00 68.15 67.86 1nwk h THR 203 CO 0.61 0.20 0.26 0.00 0.37 0.00 0.00 175.52 176.96 1nwk h ALA 204 N 1.25 1.00 -0.42 6.16 0.00 -2.01 -2.39 119.26 122.85 1nwk h ALA 204 Ca 0.26 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1nwk h ALA 204 Cb -0.06 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 1nwk h ALA 204 CO -0.05 0.67 -0.07 0.93 0.00 0.00 0.00 179.25 180.73 1nwk h GLU 205 N 1.13 0.72 -0.11 0.00 5.08 -1.72 -2.37 114.58 117.31 1nwk h GLU 205 Ca 0.25 -0.21 -0.04 0.00 -1.00 0.00 0.00 59.36 58.35 1nwk h GLU 205 Cb 0.29 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1nwk h GLU 205 CO -0.01 0.78 -0.12 -0.09 -1.00 0.00 0.00 179.01 178.56 1nwk h ARG 206 N 0.66 0.17 -0.65 2.33 2.43 -0.43 -1.82 114.38 117.08 1nwk h ARG 206 Ca 0.12 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.17 1nwk h ARG 206 Cb 0.51 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.01 1nwk h ARG 206 CO 0.03 0.31 0.07 0.93 -1.51 0.00 0.00 179.97 179.80 1nwk h GLU 207 N 0.17 1.10 -0.40 0.20 4.39 -1.00 -1.57 114.58 117.46 1nwk h GLU 207 Ca 0.03 -0.31 -0.03 0.00 0.34 0.00 0.00 59.36 59.40 1nwk h GLU 207 Cb 0.33 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 1nwk h GLU 207 CO 0.02 1.02 0.13 0.82 -1.16 0.00 0.00 179.01 179.84 1nwk h ILE 208 N 1.02 1.21 -0.74 3.13 2.04 -1.19 -2.51 117.51 120.47 1nwk h ILE 208 Ca 0.19 -0.70 -0.02 0.00 1.00 0.00 0.00 64.86 65.34 1nwk h ILE 208 Cb 0.48 0.92 -0.04 0.00 -0.74 0.00 0.00 36.82 37.44 1nwk h ILE 208 CO 0.02 0.25 0.39 0.58 0.00 0.00 0.00 178.15 179.38 1nwk h VAL 209 N 0.50 1.23 -0.63 1.67 2.07 -1.13 -0.61 116.25 119.35 1nwk h VAL 209 Ca 0.13 -0.59 -0.04 0.00 0.82 0.00 0.00 66.70 67.02 1nwk h VAL 209 Cb 0.25 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 1nwk h VAL 209 CO -0.00 0.26 0.21 -0.09 0.02 0.00 0.00 177.57 177.97 1nwk h ARG 210 N 1.04 0.95 -0.52 1.57 2.43 -1.09 0.34 114.38 119.10 1nwk h ARG 210 Ca 0.26 -0.17 -0.12 0.00 -0.81 0.00 0.00 59.98 59.14 1nwk h ARG 210 Cb 0.05 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.44 1nwk h ARG 210 CO -0.04 0.80 -0.13 0.22 -1.51 0.00 0.00 179.97 179.32 1nwk h ASP 211 N 0.92 1.02 -0.20 -3.80 3.58 -0.87 -0.76 116.42 116.31 1nwk h ASP 211 Ca 0.21 -0.36 -0.00 0.00 0.42 0.00 0.00 57.03 57.30 1nwk h ASP 211 Cb 0.24 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.00 1nwk h ASP 211 CO -0.01 1.14 0.11 0.40 -2.88 0.00 0.00 179.24 178.00 1nwk h ILE 212 N 0.88 1.11 -0.30 2.25 2.04 -0.62 -1.01 117.51 121.86 1nwk h ILE 212 Ca 0.13 -0.31 0.06 0.00 1.00 0.00 0.00 64.86 65.74 1nwk h ILE 212 Cb 0.70 0.95 -0.05 0.00 -0.74 0.00 0.00 36.82 37.68 1nwk h ILE 212 CO 0.05 0.11 -0.04 0.50 0.00 0.00 0.00 178.15 178.77 1nwk h LYS 213 N 0.22 0.04 0.00 2.37 3.64 -0.75 0.34 116.57 122.43 1nwk h LYS 213 Ca 0.07 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1nwk h LYS 213 Cb 0.08 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 1nwk h LYS 213 CO -0.01 0.02 0.00 0.93 -2.27 0.00 0.00 179.45 178.12 1nwk h GLU 214 N 0.04 0.00 0.00 1.90 5.08 -0.92 -2.90 114.58 117.78 1nwk h GLU 214 Ca 0.14 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.19 1nwk h GLU 214 Cb 0.21 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.40 1nwk h GLU 214 CO -0.28 0.00 -2.20 1.63 -1.00 0.00 0.00 179.01 177.16 1nwk n LYS 215 N -2.73 0.73 -0.00 2.33 4.76 -0.40 -4.82 118.16 118.02 1nwk n LYS 215 Ca 0.02 0.09 0.04 0.00 -2.87 0.00 0.00 58.31 55.59 1nwk n LYS 215 Cb 0.32 -1.43 -0.06 0.00 -1.84 0.00 0.00 35.03 32.02 1nwk n LYS 215 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1nwk n LEU 216 N -2.99 0.18 -4.84 -0.35 4.77 0.11 -5.04 117.00 108.85 1nwk n LEU 216 Ca -0.35 -0.21 -0.32 0.00 -0.03 0.00 0.00 56.01 55.10 1nwk n LEU 216 Cb 0.94 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 42.01 1nwk n LEU 216 CO 0.25 0.04 0.69 0.00 -1.33 0.00 0.00 177.39 177.05 1nwk s TYR 218 N -2.67 -0.45 -0.23 0.00 -0.85 -0.28 -4.43 117.35 108.44 1nwk s TYR 218 Ca 0.59 0.20 -0.13 0.00 -0.52 0.00 0.00 57.07 57.21 1nwk s TYR 218 Cb -0.11 0.53 -0.04 0.00 0.38 0.00 0.00 41.96 42.71 1nwk s TYR 218 CO 0.36 -0.87 0.28 0.08 -1.52 0.00 0.00 175.55 173.88 1nwk s VAL 219 N -3.78 5.27 0.39 -3.49 1.01 -0.47 -3.89 120.40 115.45 1nwk s VAL 219 Ca 0.03 0.44 -0.25 0.00 0.00 0.00 0.00 61.98 62.19 1nwk s VAL 219 Cb -0.01 -3.61 -0.09 0.00 0.00 0.00 0.00 36.38 32.67 1nwk s VAL 219 CO -0.10 0.29 1.12 0.00 0.00 0.00 0.00 175.10 176.40 1nwk s ALA 220 N 1.27 3.14 0.12 5.51 0.00 -1.26 -4.51 121.76 126.03 1nwk s ALA 220 Ca 0.13 0.86 -0.13 0.00 0.00 0.00 0.00 51.96 52.82 1nwk s ALA 220 Cb -0.14 -3.34 -0.05 0.00 0.00 0.00 0.00 23.12 19.59 1nwk s ALA 220 CO 0.07 -0.39 1.47 1.25 0.00 0.00 0.00 175.76 178.16 1nwk h LEU 221 N 2.66 0.86 -7.15 0.00 5.85 -1.96 -3.40 115.31 112.17 1nwk h LEU 221 Ca -0.48 -0.44 -0.56 0.00 0.84 0.00 0.00 57.88 57.23 1nwk h LEU 221 Cb 1.23 -0.24 -0.40 0.00 0.37 0.00 0.00 40.66 41.62 1nwk h LEU 221 CO 0.63 1.12 -0.76 -1.81 -0.34 0.00 0.00 178.44 177.28 1nwk s ASP 222 N -6.63 3.75 0.17 1.25 1.01 -1.26 -4.87 116.67 110.09 1nwk s ASP 222 Ca -0.12 -1.42 -0.22 0.00 0.71 0.00 0.00 52.55 51.50 1nwk s ASP 222 Cb 0.10 -0.76 0.08 0.00 1.01 0.00 0.00 42.92 43.35 1nwk s ASP 222 CO 0.85 -0.39 1.61 0.15 0.21 0.00 0.00 175.17 177.59 1nwk h PHE 223 N 8.15 -0.79 -0.58 4.23 3.57 -2.00 -1.02 116.94 128.51 1nwk h PHE 223 Ca -0.15 0.05 0.03 0.00 3.53 0.00 0.00 57.97 61.43 1nwk h PHE 223 Cb 1.04 0.41 -0.04 0.00 2.79 0.00 0.00 35.95 40.14 1nwk h PHE 223 CO 0.34 -0.36 0.35 0.93 -2.23 0.00 0.00 178.31 177.34 1nwk h GLU 224 N -0.22 0.67 -0.02 1.11 5.08 -1.98 -0.54 114.58 118.68 1nwk h GLU 224 Ca 0.18 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.40 1nwk h GLU 224 Cb 0.51 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1nwk h GLU 224 CO -0.53 0.44 -0.46 -0.91 -1.00 0.00 0.00 179.01 176.55 1nwk h ASN 225 N 0.69 0.04 -0.29 1.42 4.21 -1.93 -1.91 115.58 117.81 1nwk h ASN 225 Ca 0.24 -0.02 -0.17 0.00 1.21 0.00 0.00 56.30 57.56 1nwk h ASN 225 Cb 0.04 -0.01 -0.00 0.00 -1.12 0.00 0.00 38.32 37.22 1nwk h ASN 225 CO -0.11 0.50 -0.48 -0.08 -1.29 0.00 0.00 177.43 175.97 1nwk h GLU 226 N 0.03 0.86 -0.70 0.81 4.57 -0.52 -0.77 114.58 118.86 1nwk h GLU 226 Ca -0.00 -0.50 -0.02 0.00 -1.18 0.00 0.00 59.36 57.65 1nwk h GLU 226 Cb 0.83 0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.43 1nwk h GLU 226 CO 0.06 1.14 0.36 0.52 -1.18 0.00 0.00 179.01 179.91 1nwk h MET 227 N 0.68 0.99 -0.44 1.92 2.86 -0.85 -0.91 114.93 119.19 1nwk h MET 227 Ca 0.03 -0.13 -0.08 0.00 -2.06 0.00 0.00 59.70 57.46 1nwk h MET 227 Cb 1.07 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 32.52 1nwk h MET 227 CO 0.11 0.77 -0.06 0.00 1.06 0.00 0.00 176.91 178.79 1nwk h ALA 228 N 1.17 1.08 -0.33 6.32 0.00 -1.14 -1.57 119.26 124.79 1nwk h ALA 228 Ca 0.24 -0.29 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 1nwk h ALA 228 Cb 0.08 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1nwk h ALA 228 CO -0.03 0.57 -0.37 1.15 0.00 0.00 0.00 179.25 180.57 1nwk h THR 229 N 0.69 1.28 0.00 0.00 2.02 -0.78 -2.03 112.91 114.09 1nwk h THR 229 Ca 0.13 -1.53 -0.08 0.00 0.77 0.00 0.00 66.41 65.69 1nwk h THR 229 Cb 0.51 1.42 -0.01 0.00 -1.74 0.00 0.00 68.15 68.33 1nwk h THR 229 CO 0.03 0.50 -0.38 0.00 0.37 0.00 0.00 175.52 176.04 1nwk h ALA 230 N 0.94 1.09 0.00 6.16 0.00 -0.88 -2.67 119.26 123.91 1nwk h ALA 230 Ca 0.06 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 1nwk h ALA 230 Cb 0.92 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1nwk h ALA 230 CO 0.08 0.47 -0.70 0.00 0.00 0.00 0.00 179.25 179.11 1nwk h ALA 231 N 1.62 0.69 -0.28 0.00 0.00 -1.09 -3.34 119.26 116.87 1nwk h ALA 231 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1nwk h ALA 231 Cb 0.82 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1nwk h ALA 231 CO 0.05 0.21 0.00 -1.13 0.00 0.00 0.00 179.25 178.38 1nwk n SER 232 N -2.91 3.11 -3.38 0.00 3.41 -0.78 -5.01 113.62 108.06 1nwk n SER 232 Ca 0.00 -1.91 -0.05 0.00 -0.26 0.00 0.00 58.87 56.65 1nwk n SER 232 Cb 0.61 -0.18 0.01 0.00 -0.26 0.00 0.00 64.21 64.39 1nwk n SER 232 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1nwk s SER 233 N -1.41 -0.05 -0.08 4.04 0.15 -1.02 -5.03 113.70 110.31 1nwk s SER 233 Ca 0.31 -0.72 0.11 0.00 0.70 0.00 0.00 55.95 56.35 1nwk s SER 233 Cb 0.19 0.59 0.24 0.00 -1.71 0.00 0.00 66.02 65.33 1nwk s SER 233 CO 0.27 -1.16 1.16 -1.54 1.20 0.00 0.00 173.24 173.17 1nwk n SER 234 N -1.05 2.59 0.33 5.45 3.41 -1.26 -4.59 113.62 118.50 1nwk n SER 234 Ca -0.05 -2.55 0.22 0.00 -0.26 0.00 0.00 58.87 56.23 1nwk n SER 234 Cb 0.60 -0.28 1.18 0.00 -0.26 0.00 0.00 64.21 65.45 1nwk n SER 234 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1nwk h SER 235 N 0.62 0.00 0.00 4.04 4.64 -1.92 -1.99 113.55 118.94 1nwk h SER 235 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1nwk h SER 235 Cb 0.87 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 1nwk h SER 235 CO 0.04 0.00 -0.60 0.18 -0.87 0.00 0.00 176.83 175.58 1nwk n LEU 236 N -3.17 1.74 -4.77 5.97 4.77 -1.26 -4.98 117.00 115.30 1nwk n LEU 236 Ca -0.03 -0.67 -0.38 0.00 -0.03 0.00 0.00 56.01 54.89 1nwk n LEU 236 Cb 0.08 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.13 1nwk n LEU 236 CO 0.21 0.34 0.81 -1.61 -1.33 0.00 0.00 177.39 175.81 1nwk s GLU 237 N -2.61 4.21 0.02 3.23 2.02 -0.75 -4.74 118.70 120.07 1nwk s GLU 237 Ca 0.16 1.76 0.01 0.00 0.02 0.00 0.00 54.97 56.92 1nwk s GLU 237 Cb 0.18 -2.76 -0.01 0.00 0.10 0.00 0.00 34.13 31.64 1nwk s GLU 237 CO 0.65 -0.17 -0.04 0.15 0.02 0.00 0.00 175.26 175.87 1nwk s LYS 238 N -2.16 0.32 0.15 1.61 -0.14 -0.70 -4.98 119.74 113.83 1nwk s LYS 238 Ca 0.54 -0.40 -0.00 0.00 -1.36 0.00 0.00 55.97 54.75 1nwk s LYS 238 Cb -0.29 -0.14 -0.04 0.00 -1.68 0.00 0.00 37.83 35.68 1nwk s LYS 238 CO 0.37 0.02 0.31 -1.12 -0.76 0.00 0.00 175.35 174.18 1nwk s SER 239 N -0.83 6.38 -0.10 2.83 0.01 -1.26 -1.33 113.70 119.40 1nwk s SER 239 Ca -0.06 0.32 -0.04 0.00 1.31 0.00 0.00 55.95 57.48 1nwk s SER 239 Cb -0.06 -1.98 0.05 0.00 0.21 0.00 0.00 66.02 64.24 1nwk s SER 239 CO -0.00 0.05 0.21 -0.47 0.41 0.00 0.00 173.24 173.43 1nwk s TYR 240 N -1.72 -0.28 -0.10 2.43 5.04 -0.21 -4.99 117.35 117.52 1nwk s TYR 240 Ca 0.37 0.71 -0.23 0.00 -2.44 0.00 0.00 57.07 55.48 1nwk s TYR 240 Cb -0.12 -0.05 -0.03 0.00 0.35 0.00 0.00 41.96 42.11 1nwk s TYR 240 CO 0.28 -0.24 0.71 -2.00 -1.34 0.00 0.00 175.55 172.96 1nwk s GLU 241 N 1.60 4.38 0.56 4.97 2.12 -1.26 -1.30 118.70 129.76 1nwk s GLU 241 Ca -0.06 0.86 -0.06 0.00 0.36 0.00 0.00 54.97 56.07 1nwk s GLU 241 Cb -0.11 -3.49 -0.01 0.00 0.26 0.00 0.00 34.13 30.78 1nwk s GLU 241 CO -0.07 -0.04 0.87 -0.51 -0.54 0.00 0.00 175.26 174.97 1nwk s LEU 242 N 1.16 3.37 0.47 2.70 1.43 0.65 -4.97 118.68 123.49 1nwk s LEU 242 Ca 0.36 0.84 0.23 0.00 -1.03 0.00 0.00 54.13 54.53 1nwk s LEU 242 Cb -0.17 -3.72 1.25 0.00 0.03 0.00 0.00 46.19 43.57 1nwk s LEU 242 CO 0.16 -0.89 1.89 -0.65 0.23 0.00 0.00 176.35 177.09 1nwk h PRO 243 N -0.05 0.22 -0.08 1.29 0.11 -1.97 -0.72 132.00 130.80 1nwk h PRO 243 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1nwk h PRO 243 Cb 1.23 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1nwk h PRO 243 CO 0.61 0.15 0.00 -0.40 -0.21 0.00 0.00 178.00 178.15 1nwk n ASP 244 N -4.42 0.57 0.00 -2.05 3.85 -1.26 -4.88 116.55 108.36 1nwk n ASP 244 Ca 0.17 -1.69 0.00 0.00 -0.71 0.00 0.00 54.79 52.56 1nwk n ASP 244 Cb 0.76 -0.05 0.00 0.00 -1.35 0.00 0.00 41.12 40.48 1nwk n ASP 244 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1nwk n GLY 245 N 0.82 1.41 3.82 6.12 0.00 -0.28 -5.04 105.19 112.04 1nwk n GLY 245 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 1nwk n GLY 245 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nwk s GLN 246 N -0.56 3.03 -0.09 1.61 -0.21 -1.26 -4.79 119.66 117.39 1nwk s GLN 246 Ca 0.00 0.99 0.02 0.00 0.02 0.00 0.00 55.36 56.39 1nwk s GLN 246 Cb 0.00 -2.00 0.01 0.00 1.00 0.00 0.00 33.01 32.02 1nwk s GLN 246 CO 0.00 -1.03 -0.14 0.08 -2.12 0.00 0.00 175.29 172.08 1nwk s VAL 247 N -2.94 1.36 0.27 1.09 1.01 -1.26 -0.26 120.40 119.67 1nwk s VAL 247 Ca 0.59 -0.58 0.09 0.00 0.00 0.00 0.00 61.98 62.07 1nwk s VAL 247 Cb -0.14 -1.24 -0.04 0.00 0.00 0.00 0.00 36.38 34.96 1nwk s VAL 247 CO 0.51 0.41 0.07 0.27 0.00 0.00 0.00 175.10 176.36 1nwk s ILE 248 N 0.81 3.63 -0.05 2.22 -4.36 -0.42 -4.93 121.20 118.10 1nwk s ILE 248 Ca -0.11 -1.75 0.06 0.00 -0.26 0.00 0.00 60.65 58.59 1nwk s ILE 248 Cb -0.16 -3.00 -0.01 0.00 1.25 0.00 0.00 42.46 40.54 1nwk s ILE 248 CO 0.02 -0.34 -0.24 -0.89 0.24 0.00 0.00 174.94 173.72 1nwk s THR 249 N -2.29 1.98 -0.04 8.37 2.01 -1.26 -1.04 115.64 123.37 1nwk s THR 249 Ca 0.33 -1.04 0.05 0.00 0.31 0.00 0.00 61.69 61.34 1nwk s THR 249 Cb -0.06 -1.68 -0.01 0.00 0.01 0.00 0.00 72.50 70.77 1nwk s THR 249 CO 0.22 0.55 -0.19 -0.51 -0.69 0.00 0.00 174.62 174.00 1nwk s ILE 250 N -0.21 1.54 0.00 1.82 2.07 -0.44 -4.98 121.20 121.01 1nwk s ILE 250 Ca -0.02 -0.79 0.00 0.00 -1.41 0.00 0.00 60.65 58.43 1nwk s ILE 250 Cb -0.13 -1.32 0.00 0.00 0.13 0.00 0.00 42.46 41.14 1nwk s ILE 250 CO 0.03 0.44 0.00 0.61 -1.91 0.00 0.00 174.94 174.11 1nwk n GLY 251 N 3.03 0.98 0.03 1.50 0.00 -1.26 -1.72 105.19 107.75 1nwk n GLY 251 Ca -0.18 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.90 1nwk n GLY 251 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1nwk n ASN 252 N 0.00 0.12 0.25 1.61 0.23 -1.26 -1.89 115.26 114.32 1nwk n ASN 252 Ca 0.00 0.54 0.11 0.00 -0.53 0.00 0.00 54.58 54.70 1nwk n ASN 252 Cb 0.00 -0.56 0.66 0.00 -2.08 0.00 0.00 39.78 37.80 1nwk n ASN 252 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1nwk h GLU 253 N 0.00 0.00 -0.98 -3.83 3.07 -1.98 0.53 114.58 111.39 1nwk h GLU 253 Ca 0.00 0.00 0.04 0.00 -0.50 0.00 0.00 59.36 58.90 1nwk h GLU 253 Cb 0.18 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.04 1nwk h GLU 253 CO 0.00 0.15 0.64 0.00 -1.40 0.00 0.00 179.01 178.40 1nwk h ARG 254 N 0.00 1.18 0.00 2.33 3.08 -1.69 -2.79 114.38 116.49 1nwk h ARG 254 Ca -0.00 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1nwk h ARG 254 Cb 0.38 -0.27 0.00 0.00 0.08 0.00 0.00 29.97 30.17 1nwk h ARG 254 CO 0.02 0.78 -1.53 1.97 -1.07 0.00 0.00 179.97 180.14 1nwk n PHE 255 N -4.45 0.00 -0.01 3.04 1.16 -0.96 -1.13 117.46 115.10 1nwk n PHE 255 Ca 0.14 0.00 -0.03 0.00 -1.87 0.00 0.00 57.45 55.68 1nwk n PHE 255 Cb 0.12 -0.29 0.20 0.00 -1.61 0.00 0.00 39.48 37.90 1nwk n PHE 255 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1nwk h ARG 256 N 0.00 0.55 0.74 3.97 3.08 -0.87 -2.51 114.38 119.34 1nwk h ARG 256 Ca 0.00 -0.19 -0.03 0.00 0.07 0.00 0.00 59.98 59.83 1nwk h ARG 256 Cb 0.64 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.64 1nwk h ARG 256 CO 0.00 0.71 -0.47 0.00 -1.07 0.00 0.00 179.97 179.14 1nwk n PRO 258 N -5.41 0.10 0.31 0.00 -0.04 -1.23 -2.74 135.00 125.99 1nwk n PRO 258 Ca -0.14 0.23 0.17 0.00 -0.04 0.00 0.00 63.50 63.72 1nwk n PRO 258 Cb 0.48 -1.65 0.98 0.00 -0.04 0.00 0.00 33.50 33.27 1nwk n PRO 258 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1nwk h GLU 259 N 0.00 0.00 -0.49 0.54 4.57 -1.27 -1.35 114.58 116.58 1nwk h GLU 259 Ca 0.00 0.00 0.13 0.00 -1.18 0.00 0.00 59.36 58.31 1nwk h GLU 259 Cb 0.42 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.99 1nwk h GLU 259 CO 0.00 0.01 0.34 1.15 -1.18 0.00 0.00 179.01 179.33 1nwk h THR 260 N 0.00 0.79 -0.52 0.32 2.02 -1.58 0.18 112.91 114.12 1nwk h THR 260 Ca -0.00 -0.02 -0.03 0.00 0.77 0.00 0.00 66.41 67.13 1nwk h THR 260 Cb 0.03 0.71 -0.03 0.00 -1.74 0.00 0.00 68.15 67.12 1nwk h THR 260 CO 0.00 0.01 0.22 -0.07 0.37 0.00 0.00 175.52 176.05 1nwk h LEU 261 N 0.07 0.67 0.00 2.58 3.38 -1.49 -1.49 115.31 119.03 1nwk h LEU 261 Ca 0.23 -0.07 -0.12 0.00 0.09 0.00 0.00 57.88 58.00 1nwk h LEU 261 Cb 0.83 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 1nwk h LEU 261 CO -0.02 0.60 -1.43 0.49 0.09 0.00 0.00 178.44 178.17 1nwk n PHE 262 N -4.35 0.84 -3.55 1.13 3.72 -0.05 -1.33 117.46 113.86 1nwk n PHE 262 Ca 0.04 0.27 -0.27 0.00 -0.05 0.00 0.00 57.45 57.44 1nwk n PHE 262 Cb 0.15 -1.00 -0.10 0.00 -0.94 0.00 0.00 39.48 37.58 1nwk n PHE 262 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1nwk n GLN 263 N -2.77 0.89 0.31 -1.08 6.02 0.44 -3.91 117.38 117.28 1nwk n GLN 263 Ca -0.08 -3.69 0.18 0.00 -0.01 0.00 0.00 57.00 53.39 1nwk n GLN 263 Cb 0.77 -1.88 0.93 0.00 1.02 0.00 0.00 30.24 31.08 1nwk n GLN 263 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 1nwk h PRO 264 N 5.37 0.00 0.00 -1.09 0.11 -1.50 -1.23 132.00 133.66 1nwk h PRO 264 Ca 0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.32 1nwk h PRO 264 Cb 0.84 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.95 1nwk h PRO 264 CO 0.52 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.97 1nwk h SER 265 N 0.00 0.00 -0.61 -2.05 4.64 -1.76 -0.87 113.55 112.89 1nwk h SER 265 Ca 0.02 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.40 1nwk h SER 265 Cb 0.49 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.54 1nwk h SER 265 CO -0.00 0.00 0.41 -0.26 -0.87 0.00 0.00 176.83 176.11 1nwk h PHE 266 N 0.00 0.60 -0.31 4.77 -1.00 -1.52 -1.29 116.94 118.20 1nwk h PHE 266 Ca 0.00 0.02 -0.08 0.00 2.81 0.00 0.00 57.97 60.72 1nwk h PHE 266 Cb 0.14 -0.20 -0.05 0.00 3.61 0.00 0.00 35.95 39.45 1nwk h PHE 266 CO 0.00 0.33 -0.00 0.44 -1.61 0.00 0.00 178.31 177.46 1nwk n ILE 267 N -4.48 2.40 -1.64 -0.55 -5.35 -0.82 -4.96 119.36 103.97 1nwk n ILE 267 Ca 0.09 -2.17 -0.03 0.00 -0.27 0.00 0.00 62.75 60.36 1nwk n ILE 267 Cb 0.23 -0.28 -0.01 0.00 -1.74 0.00 0.00 39.64 37.84 1nwk n ILE 267 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1nwk n GLY 268 N -0.75 0.40 3.70 3.28 0.00 -0.48 -5.05 105.19 106.29 1nwk n GLY 268 Ca 0.26 -0.84 -0.35 0.00 0.00 0.00 0.00 46.02 45.10 1nwk n GLY 268 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1nwk s MET 269 N -3.34 3.38 0.00 1.61 -1.94 -0.40 -4.94 119.30 113.67 1nwk s MET 269 Ca 0.00 -0.34 0.30 0.00 -1.71 0.00 0.00 55.69 53.95 1nwk s MET 269 Cb 0.00 -3.00 1.55 0.00 2.01 0.00 0.00 34.83 35.40 1nwk s MET 269 CO 0.00 0.58 2.04 0.39 -0.01 0.00 0.00 175.02 178.02 1nwk n GLU 270 N 2.55 0.96 -1.52 2.03 4.71 -1.26 -2.52 120.64 125.58 1nwk n GLU 270 Ca -0.18 -0.21 -0.33 0.00 -0.01 0.00 0.00 57.16 56.43 1nwk n GLU 270 Cb 0.53 -1.50 0.07 0.00 -1.01 0.00 0.00 31.44 29.54 1nwk n GLU 270 CO 0.00 0.00 0.00 -1.12 0.09 0.00 0.00 177.13 176.10 1nwk s SER 271 N -2.19 4.65 0.52 1.62 0.01 -1.26 -5.01 113.70 112.05 1nwk s SER 271 Ca 0.39 2.04 -0.17 0.00 1.31 0.00 0.00 55.95 59.52 1nwk s SER 271 Cb 0.21 -2.55 -0.07 0.00 0.21 0.00 0.00 66.02 63.82 1nwk s SER 271 CO 0.40 -1.94 1.00 0.00 0.41 0.00 0.00 173.24 173.12 1nwk s ALA 272 N -2.41 2.96 0.92 1.44 0.00 -1.26 -4.45 121.76 118.97 1nwk s ALA 272 Ca 0.67 0.31 -0.12 0.00 0.00 0.00 0.00 51.96 52.83 1nwk s ALA 272 Cb -0.22 -3.17 0.15 0.00 0.00 0.00 0.00 23.12 19.88 1nwk s ALA 272 CO 0.46 -0.34 1.09 0.20 0.00 0.00 0.00 175.76 177.17 1nwk s GLY 273 N -2.76 1.61 0.53 0.00 0.00 -1.25 -4.72 107.32 100.73 1nwk s GLY 273 Ca 0.61 -0.04 0.22 0.00 0.00 0.00 0.00 44.72 45.51 1nwk s GLY 273 CO 0.29 0.47 2.08 0.16 0.00 0.00 0.00 173.10 176.10 1nwk h ILE 274 N -1.67 0.82 -0.33 0.90 3.07 -1.46 -1.03 117.51 117.81 1nwk h ILE 274 Ca -0.50 0.00 -0.15 0.00 1.55 0.00 0.00 64.86 65.76 1nwk h ILE 274 Cb 1.29 0.87 -0.00 0.00 -0.27 0.00 0.00 36.82 38.71 1nwk h ILE 274 CO 0.53 0.00 -0.37 1.12 -1.05 0.00 0.00 178.15 178.38 1nwk h HIS 275 N 0.00 1.00 -0.37 0.16 2.07 -1.91 -1.88 115.15 114.23 1nwk h HIS 275 Ca 0.11 -0.31 -0.15 0.00 -2.85 0.00 0.00 60.37 57.17 1nwk h HIS 275 Cb 0.47 -0.21 -0.01 0.00 2.57 0.00 0.00 27.41 30.24 1nwk h HIS 275 CO 0.00 1.11 -0.38 0.93 -3.07 0.00 0.00 177.93 176.52 1nwk h GLU 276 N 0.61 0.88 -0.16 5.12 5.08 -1.63 -2.24 114.58 122.24 1nwk h GLU 276 Ca 0.05 -0.46 -0.11 0.00 -1.00 0.00 0.00 59.36 57.84 1nwk h GLU 276 Cb 0.96 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 1nwk h GLU 276 CO 0.09 1.10 -0.36 1.79 -1.00 0.00 0.00 179.01 180.63 1nwk h THR 277 N 0.72 1.29 0.18 1.13 1.35 -1.22 0.50 112.91 116.86 1nwk h THR 277 Ca 0.06 -1.44 -0.01 0.00 -0.55 0.00 0.00 66.41 64.47 1nwk h THR 277 Cb 0.96 1.58 0.00 0.00 -1.73 0.00 0.00 68.15 68.95 1nwk h THR 277 CO 0.09 0.44 -0.08 0.74 -0.25 0.00 0.00 175.52 176.46 1nwk h THR 278 N 0.29 0.88 -0.18 6.82 2.02 -1.20 0.60 112.91 122.12 1nwk h THR 278 Ca 0.03 -0.24 0.02 0.00 0.77 0.00 0.00 66.41 66.99 1nwk h THR 278 Cb 0.78 1.03 -0.02 0.00 -1.74 0.00 0.00 68.15 68.19 1nwk h THR 278 CO 0.06 0.06 0.06 0.22 0.37 0.00 0.00 175.52 176.28 1nwk h TYR 279 N -0.35 0.10 -0.71 3.16 3.20 -1.24 -1.54 116.97 119.60 1nwk h TYR 279 Ca -0.02 0.01 0.02 0.00 3.14 0.00 0.00 58.73 61.88 1nwk h TYR 279 Cb 0.27 -0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.49 1nwk h TYR 279 CO -0.03 0.05 0.47 -0.91 -1.64 0.00 0.00 178.16 176.09 1nwk h ASN 280 N 0.14 0.77 0.06 -2.11 2.35 -0.76 -1.15 115.58 114.89 1nwk h ASN 280 Ca 0.08 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.81 1nwk h ASN 280 Cb 0.06 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.24 1nwk h ASN 280 CO -0.09 0.54 -0.03 -1.28 -1.65 0.00 0.00 177.43 174.92 1nwk h SER 281 N 0.90 -0.07 -0.93 5.81 0.87 -0.33 -2.72 113.55 117.09 1nwk h SER 281 Ca 0.27 -0.11 0.04 0.00 -1.23 0.00 0.00 61.79 60.76 1nwk h SER 281 Cb -0.02 0.02 -0.05 0.00 -0.44 0.00 0.00 62.40 61.91 1nwk h SER 281 CO -0.07 0.07 0.61 0.40 -0.53 0.00 0.00 176.83 177.31 1nwk h ILE 282 N -0.20 1.16 0.00 2.23 2.04 -0.81 -1.64 117.51 120.28 1nwk h ILE 282 Ca -0.01 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.45 1nwk h ILE 282 Cb 0.18 -0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.15 1nwk h ILE 282 CO 0.01 0.21 0.00 0.23 0.00 0.00 0.00 178.15 178.61 1nwk n MET 283 N -4.44 0.11 0.00 2.37 2.81 -0.48 -1.79 117.12 115.71 1nwk n MET 283 Ca 0.12 0.32 0.13 0.00 -1.81 0.00 0.00 57.70 56.47 1nwk n MET 283 Cb 0.10 -1.70 0.47 0.00 -0.71 0.00 0.00 33.22 31.38 1nwk n MET 283 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1nwk n LYS 284 N -1.92 0.93 -3.99 0.03 4.76 -0.62 -4.89 118.16 112.47 1nwk n LYS 284 Ca 0.03 -0.49 -0.21 0.00 -2.87 0.00 0.00 58.31 54.76 1nwk n LYS 284 Cb 0.23 -1.49 -0.02 0.00 -1.84 0.00 0.00 35.03 31.90 1nwk n LYS 284 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1nwk n ASP 286 N -1.37 2.88 -0.09 0.00 -0.08 -1.26 -4.83 116.55 111.81 1nwk n ASP 286 Ca -0.09 1.08 0.26 0.00 -1.51 0.00 0.00 54.79 54.53 1nwk n ASP 286 Cb 0.57 -1.38 0.72 0.00 2.34 0.00 0.00 41.12 43.37 1nwk n ASP 286 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 1nwk h ILE 287 N 3.78 0.52 0.00 5.18 2.10 -1.94 -0.81 117.51 126.34 1nwk h ILE 287 Ca -0.46 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.48 1nwk h ILE 287 Cb 1.27 0.58 0.00 0.00 -1.09 0.00 0.00 36.82 37.58 1nwk h ILE 287 CO 0.88 0.00 0.00 0.47 -1.08 0.00 0.00 178.15 178.42 1nwk n ASP 288 N -4.12 0.00 -0.05 2.19 8.00 -1.26 -3.03 116.55 118.28 1nwk n ASP 288 Ca 0.15 0.08 0.01 0.00 0.71 0.00 0.00 54.79 55.75 1nwk n ASP 288 Cb 0.85 -0.34 -0.01 0.00 -0.02 0.00 0.00 41.12 41.61 1nwk n ASP 288 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 1nwk n ILE 289 N -1.34 0.00 -0.29 0.53 -5.35 -0.32 -4.71 119.36 107.88 1nwk n ILE 289 Ca 0.10 -0.46 0.03 0.00 -0.27 0.00 0.00 62.75 62.15 1nwk n ILE 289 Cb 0.21 1.02 0.17 0.00 -1.74 0.00 0.00 39.64 39.30 1nwk n ILE 289 CO 0.00 0.00 0.00 0.03 -1.76 0.00 0.00 176.55 174.82 1nwk h ARG 290 N 0.23 0.78 -0.91 6.28 3.08 -1.43 -1.17 114.38 121.23 1nwk h ARG 290 Ca 0.00 -0.05 0.10 0.00 0.07 0.00 0.00 59.98 60.10 1nwk h ARG 290 Cb 0.09 -0.18 -0.08 0.00 0.08 0.00 0.00 29.97 29.89 1nwk h ARG 290 CO 0.00 0.51 0.56 -0.22 -1.07 0.00 0.00 179.97 179.75 1nwk h LYS 291 N 0.80 0.90 -0.64 0.04 3.64 -1.84 -0.21 116.57 119.26 1nwk h LYS 291 Ca 0.40 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.65 1nwk h LYS 291 Cb 0.36 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 31.95 1nwk h LYS 291 CO -0.25 0.60 0.12 -0.44 -2.27 0.00 0.00 179.45 177.21 1nwk h ASP 292 N 0.93 0.99 -0.22 4.20 3.32 -1.55 -2.52 116.42 121.57 1nwk h ASP 292 Ca 0.43 -0.22 -0.07 0.00 0.02 0.00 0.00 57.03 57.19 1nwk h ASP 292 Cb 0.36 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.64 1nwk h ASP 292 CO -0.24 0.98 -0.14 -0.07 -1.72 0.00 0.00 179.24 178.06 1nwk h LEU 293 N 0.98 0.50 -1.08 1.55 3.38 -0.80 -2.76 115.31 117.08 1nwk h LEU 293 Ca 0.20 -0.43 0.08 0.00 0.09 0.00 0.00 57.88 57.82 1nwk h LEU 293 Cb 0.41 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 40.95 1nwk h LEU 293 CO 0.01 0.82 0.62 1.88 0.09 0.00 0.00 178.44 181.86 1nwk h TYR 294 N 0.17 1.12 -0.00 1.13 0.05 -1.01 -1.05 116.97 117.38 1nwk h TYR 294 Ca 0.04 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.85 1nwk h TYR 294 Cb 0.65 -0.36 0.00 0.00 1.01 0.00 0.00 36.73 38.03 1nwk h TYR 294 CO 0.07 0.55 -0.05 0.00 -1.05 0.00 0.00 178.16 177.68 1nwk n ALA 295 N -2.38 2.66 -2.93 3.88 0.00 -0.96 -1.62 120.51 119.15 1nwk n ALA 295 Ca 0.16 -0.23 -0.17 0.00 0.00 0.00 0.00 53.44 53.20 1nwk n ALA 295 Cb 0.24 -1.41 -0.01 0.00 0.00 0.00 0.00 19.45 18.27 1nwk n ALA 295 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1nwk n ASN 296 N -0.97 1.70 -4.56 0.00 3.02 -0.40 -4.36 115.26 109.68 1nwk n ASN 296 Ca 0.17 -3.03 -0.43 0.00 -0.03 0.00 0.00 54.58 51.26 1nwk n ASN 296 Cb 0.23 -0.57 -0.04 0.00 -0.61 0.00 0.00 39.78 38.79 1nwk n ASN 296 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1nwk s ASN 297 N -2.85 6.48 -0.16 6.41 0.01 -0.69 -1.30 114.94 122.84 1nwk s ASN 297 Ca 0.37 0.07 -0.05 0.00 -0.71 0.00 0.00 52.86 52.54 1nwk s ASN 297 Cb 0.38 -2.47 -0.03 0.00 0.41 0.00 0.00 41.25 39.54 1nwk s ASN 297 CO -0.05 -1.14 0.00 -0.69 -1.51 0.00 0.00 177.10 173.71 1nwk s VAL 298 N 3.97 4.25 -0.08 1.60 1.01 0.11 0.39 120.40 131.65 1nwk s VAL 298 Ca 0.38 -0.23 -0.11 0.00 0.00 0.00 0.00 61.98 62.01 1nwk s VAL 298 Cb -0.10 -2.88 -0.05 0.00 0.00 0.00 0.00 36.38 33.35 1nwk s VAL 298 CO 0.26 0.49 0.28 -0.04 0.00 0.00 0.00 175.10 176.08 1nwk s MET 299 N 0.31 3.80 0.00 2.72 -1.94 -0.40 -0.27 119.30 123.51 1nwk s MET 299 Ca -0.01 0.14 -0.07 0.00 -1.71 0.00 0.00 55.69 54.04 1nwk s MET 299 Cb -0.13 -3.25 0.00 0.00 2.01 0.00 0.00 34.83 33.46 1nwk s MET 299 CO 0.02 0.64 0.13 0.45 -0.01 0.00 0.00 175.02 176.25 1nwk s SER 300 N -0.77 0.04 0.00 3.03 0.15 0.59 -4.57 113.70 112.17 1nwk s SER 300 Ca 0.19 -0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.62 1nwk s SER 300 Cb -0.14 0.20 0.00 0.00 -1.71 0.00 0.00 66.02 64.37 1nwk s SER 300 CO 0.08 -0.36 0.00 0.61 1.20 0.00 0.00 173.24 174.77 1nwk n GLY 301 N 1.49 2.50 0.36 9.45 0.00 -0.56 -1.08 105.19 117.34 1nwk n GLY 301 Ca -0.23 -1.76 0.10 0.00 0.00 0.00 0.00 46.02 44.13 1nwk n GLY 301 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1nwk h GLY 302 N 0.00 0.83 1.00 -0.02 0.00 -1.70 -1.60 103.07 101.58 1nwk h GLY 302 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.09 1nwk h GLY 302 CO 0.00 0.15 0.00 2.41 0.00 0.00 0.00 176.54 179.10 1nwk n THR 303 N -4.49 0.00 0.13 4.70 -1.04 -0.62 -2.30 114.28 110.66 1nwk n THR 303 Ca 0.12 0.00 0.11 0.00 -2.04 0.00 0.00 64.05 62.24 1nwk n THR 303 Cb 0.34 -0.58 0.23 0.00 -1.82 0.00 0.00 70.33 68.50 1nwk n THR 303 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1nwk n THR 304 N -1.00 0.63 0.63 12.58 -2.24 -0.60 -4.45 114.28 119.83 1nwk n THR 304 Ca 0.20 -0.81 0.11 0.00 -2.27 0.00 0.00 64.05 61.28 1nwk n THR 304 Cb 0.09 0.86 0.45 0.00 -2.10 0.00 0.00 70.33 69.64 1nwk n THR 304 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1nwk n MET 305 N 1.42 0.10 -1.71 -0.78 2.81 -0.97 -4.87 117.12 113.11 1nwk n MET 305 Ca 0.19 0.22 -0.43 0.00 -1.81 0.00 0.00 57.70 55.87 1nwk n MET 305 Cb 0.58 -1.65 -0.03 0.00 -0.71 0.00 0.00 33.22 31.42 1nwk n MET 305 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1nwk n TYR 306 N -1.82 2.68 -1.82 2.03 4.02 -1.26 -4.93 117.16 116.06 1nwk n TYR 306 Ca 0.04 0.07 -0.39 0.00 -0.01 0.00 0.00 57.90 57.61 1nwk n TYR 306 Cb 0.28 -2.66 0.02 0.00 -0.02 0.00 0.00 39.34 36.96 1nwk n TYR 306 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 176.86 173.71 1nwk s PRO 307 N 1.14 3.61 0.00 -0.72 0.02 -1.26 -2.37 135.00 135.42 1nwk s PRO 307 Ca 0.76 2.35 0.00 0.00 0.02 0.00 0.00 61.00 64.13 1nwk s PRO 307 Cb -0.53 -2.59 0.00 0.00 0.02 0.00 0.00 34.50 31.40 1nwk s PRO 307 CO 0.33 -0.85 0.00 0.41 -0.33 0.00 0.00 177.00 176.56 1nwk n GLY 308 N 0.61 2.04 0.31 0.52 0.00 -1.26 -1.36 105.19 106.04 1nwk n GLY 308 Ca 0.06 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.03 1nwk n GLY 308 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1nwk h ILE 309 N 0.00 1.24 -0.33 -0.61 2.10 -1.70 -1.66 117.51 116.56 1nwk h ILE 309 Ca 0.00 -0.89 -0.02 0.00 1.08 0.00 0.00 64.86 65.02 1nwk h ILE 309 Cb 0.00 0.63 -0.01 0.00 -1.09 0.00 0.00 36.82 36.35 1nwk h ILE 309 CO 0.00 0.34 0.11 0.00 -1.08 0.00 0.00 178.15 177.51 1nwk h ALA 310 N 1.24 0.43 -0.74 0.18 0.00 -1.91 -0.53 119.26 117.93 1nwk h ALA 310 Ca 0.19 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 1nwk h ALA 310 Cb 0.34 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1nwk h ALA 310 CO 0.00 0.06 0.32 -0.44 0.00 0.00 0.00 179.25 179.19 1nwk h ASP 311 N 0.37 0.99 -0.25 0.00 3.32 -1.94 -0.86 116.42 118.05 1nwk h ASP 311 Ca 0.11 -0.13 -0.03 0.00 0.02 0.00 0.00 57.03 56.99 1nwk h ASP 311 Cb 0.24 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 1nwk h ASP 311 CO -0.00 0.86 0.03 -0.09 -1.72 0.00 0.00 179.24 178.32 1nwk h ARG 312 N 1.06 0.43 -0.82 3.56 9.65 -1.02 -1.82 114.38 125.42 1nwk h ARG 312 Ca 0.25 -0.12 -0.03 0.00 -1.10 0.00 0.00 59.98 58.98 1nwk h ARG 312 Cb 0.16 -0.05 -0.04 0.00 -1.39 0.00 0.00 29.97 28.66 1nwk h ARG 312 CO -0.03 0.57 0.41 0.52 2.80 0.00 0.00 179.97 184.24 1nwk h MET 313 N 0.23 1.17 -0.44 0.20 2.86 -0.85 -0.27 114.93 117.83 1nwk h MET 313 Ca 0.08 -0.16 0.01 0.00 -2.06 0.00 0.00 59.70 57.57 1nwk h MET 313 Cb 0.35 -0.22 -0.03 0.00 0.06 0.00 0.00 31.60 31.77 1nwk h MET 313 CO 0.01 0.88 0.27 0.37 1.06 0.00 0.00 176.91 179.51 1nwk h GLN 314 N 1.16 0.54 -0.25 1.72 5.75 -1.00 0.17 115.11 123.21 1nwk h GLN 314 Ca 0.28 -0.03 -0.04 0.00 -0.15 0.00 0.00 58.65 58.72 1nwk h GLN 314 Cb 0.09 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.51 1nwk h GLN 314 CO -0.04 0.36 0.01 -0.22 -2.65 0.00 0.00 178.83 176.29 1nwk h LYS 315 N 0.56 0.43 -0.49 1.69 3.64 -0.84 -2.15 116.57 119.41 1nwk h LYS 315 Ca 0.17 -0.13 -0.12 0.00 -1.27 0.00 0.00 60.65 59.30 1nwk h LYS 315 Cb -0.02 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 1nwk h LYS 315 CO -0.06 0.59 -0.16 0.93 -2.27 0.00 0.00 179.45 178.48 1nwk h GLU 316 N 0.21 0.95 -0.34 1.90 4.39 -0.86 -2.50 114.58 118.33 1nwk h GLU 316 Ca 0.07 -0.37 -0.17 0.00 0.34 0.00 0.00 59.36 59.24 1nwk h GLU 316 Cb 0.39 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 28.98 1nwk h GLU 316 CO 0.01 1.03 -0.44 0.82 -1.16 0.00 0.00 179.01 179.28 1nwk h ILE 317 N 0.84 1.28 -0.97 3.13 1.08 -0.99 -2.82 117.51 119.05 1nwk h ILE 317 Ca 0.12 -1.61 0.04 0.00 -0.39 0.00 0.00 64.86 63.02 1nwk h ILE 317 Cb 0.71 1.47 -0.06 0.00 -3.07 0.00 0.00 36.82 35.87 1nwk h ILE 317 CO 0.05 0.53 0.63 0.74 -0.69 0.00 0.00 178.15 179.42 1nwk h THR 318 N 0.71 1.15 -0.10 -0.27 2.02 -1.31 0.19 112.91 115.30 1nwk h THR 318 Ca 0.05 -0.41 -0.06 0.00 0.77 0.00 0.00 66.41 66.76 1nwk h THR 318 Cb 1.03 -0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 1nwk h THR 318 CO 0.10 0.22 -0.20 0.00 0.37 0.00 0.00 175.52 176.01 1nwk h ALA 319 N 1.44 1.49 0.00 6.16 0.00 -1.25 -3.12 119.26 123.99 1nwk h ALA 319 Ca 0.39 -0.23 -0.24 0.00 0.00 0.00 0.00 54.91 54.83 1nwk h ALA 319 Cb 0.04 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 1nwk h ALA 319 CO -0.13 0.36 -1.61 1.28 0.00 0.00 0.00 179.25 179.15 1nwk n LEU 320 N -4.24 0.82 -4.89 0.00 4.77 -0.57 -4.97 117.00 107.92 1nwk n LEU 320 Ca -0.01 0.38 -0.29 0.00 -0.03 0.00 0.00 56.01 56.05 1nwk n LEU 320 Cb 0.30 0.14 0.02 0.00 -2.33 0.00 0.00 43.42 41.55 1nwk n LEU 320 CO 0.38 0.28 0.63 0.00 -1.33 0.00 0.00 177.39 177.36 1nwk s ALA 321 N -2.75 3.14 0.50 -1.18 0.00 0.58 -5.02 121.76 117.02 1nwk s ALA 321 Ca -0.04 -0.38 -0.23 0.00 0.00 0.00 0.00 51.96 51.31 1nwk s ALA 321 Cb 0.08 -2.86 -0.07 0.00 0.00 0.00 0.00 23.12 20.27 1nwk s ALA 321 CO 0.82 -0.78 1.29 -2.30 0.00 0.00 0.00 175.76 174.79 1nwk n PRO 322 N -2.69 1.75 0.08 0.00 -0.02 -1.26 -4.88 135.00 127.98 1nwk n PRO 322 Ca 0.05 0.64 0.18 0.00 -2.02 0.00 0.00 63.50 62.35 1nwk n PRO 322 Cb 0.56 -2.46 0.72 0.00 -0.02 0.00 0.00 33.50 32.29 1nwk n PRO 322 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1nwk h SER 323 N 1.66 0.00 -0.60 2.55 4.64 -1.95 -1.49 113.55 118.36 1nwk h SER 323 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1nwk h SER 323 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 1nwk h SER 323 CO 0.58 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.89 1nwk n THR 324 N -4.20 1.61 -3.10 2.95 -2.24 -1.26 -4.93 114.28 103.10 1nwk n THR 324 Ca 0.06 -1.06 -0.39 0.00 -2.27 0.00 0.00 64.05 60.39 1nwk n THR 324 Cb 0.49 0.11 -0.05 0.00 -2.10 0.00 0.00 70.33 68.78 1nwk n THR 324 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 1nwk s MET 325 N -1.77 4.41 -0.28 -0.78 0.00 -0.56 -5.03 119.30 115.29 1nwk s MET 325 Ca 0.47 0.81 -0.26 0.00 0.00 0.00 0.00 55.69 56.71 1nwk s MET 325 Cb 0.30 -3.43 0.00 0.00 0.00 0.00 0.00 34.83 31.70 1nwk s MET 325 CO 0.23 0.13 0.89 0.21 0.00 0.00 0.00 175.02 176.49 1nwk s LYS 326 N 0.58 4.10 -0.13 4.11 2.20 -1.26 -4.96 119.74 124.38 1nwk s LYS 326 Ca 0.35 0.92 -0.03 0.00 -0.36 0.00 0.00 55.97 56.84 1nwk s LYS 326 Cb -0.18 -3.69 -0.03 0.00 -1.51 0.00 0.00 37.83 32.43 1nwk s LYS 326 CO 0.17 -0.66 -0.02 0.42 -0.36 0.00 0.00 175.35 174.90 1nwk s ILE 327 N 3.08 4.05 -0.07 5.43 -1.09 -1.26 -3.42 121.20 127.93 1nwk s ILE 327 Ca 0.37 -0.31 -0.03 0.00 -2.23 0.00 0.00 60.65 58.45 1nwk s ILE 327 Cb -0.14 -2.75 0.04 0.00 -1.58 0.00 0.00 42.46 38.02 1nwk s ILE 327 CO 0.10 0.53 0.15 -0.75 -1.23 0.00 0.00 174.94 173.74 1nwk s LYS 328 N -0.05 0.08 -0.16 2.79 2.20 -0.64 -4.94 119.74 119.03 1nwk s LYS 328 Ca 0.02 0.39 -0.03 0.00 -0.36 0.00 0.00 55.97 56.00 1nwk s LYS 328 Cb -0.13 -0.19 -0.02 0.00 -1.51 0.00 0.00 37.83 35.98 1nwk s LYS 328 CO 0.02 -0.18 -0.06 0.42 -0.36 0.00 0.00 175.35 175.19 1nwk s ILE 329 N 1.31 3.62 -0.22 5.43 -1.09 -1.26 -1.70 121.20 127.29 1nwk s ILE 329 Ca -0.08 -0.45 -0.04 0.00 -2.23 0.00 0.00 60.65 57.85 1nwk s ILE 329 Cb -0.12 -2.58 -0.01 0.00 -1.58 0.00 0.00 42.46 38.17 1nwk s ILE 329 CO -0.06 0.49 -0.03 -0.63 -1.23 0.00 0.00 174.94 173.48 1nwk s ILE 330 N 0.54 3.50 -0.53 2.92 1.09 0.16 -4.96 121.20 123.93 1nwk s ILE 330 Ca -0.04 -0.45 0.04 0.00 -1.10 0.00 0.00 60.65 59.09 1nwk s ILE 330 Cb -0.15 -2.59 0.15 0.00 -1.06 0.00 0.00 42.46 38.81 1nwk s ILE 330 CO 0.03 0.42 0.34 0.00 -0.10 0.00 0.00 174.94 175.63 1nwk s ALA 331 N 1.40 2.66 0.34 9.38 0.00 -1.26 -1.27 121.76 133.01 1nwk s ALA 331 Ca 0.05 -3.03 -0.28 0.00 0.00 0.00 0.00 51.96 48.69 1nwk s ALA 331 Cb -0.14 -1.95 -0.12 0.00 0.00 0.00 0.00 23.12 20.90 1nwk s ALA 331 CO -0.02 -2.05 1.31 -2.30 0.00 0.00 0.00 175.76 172.70 1nwk n PRO 332 N 2.88 2.16 -0.13 0.00 -0.02 -1.26 -4.89 135.00 133.74 1nwk n PRO 332 Ca 0.15 0.76 0.11 0.00 -2.02 0.00 0.00 63.50 62.51 1nwk n PRO 332 Cb 0.37 -2.35 0.46 0.00 -0.02 0.00 0.00 33.50 31.96 1nwk n PRO 332 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1nwk h PRO 333 N 2.64 0.49 -0.65 0.52 0.11 -1.99 -1.39 132.00 131.73 1nwk h PRO 333 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1nwk h PRO 333 Cb 1.28 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1nwk h PRO 333 CO 0.63 0.32 0.00 -0.85 -0.21 0.00 0.00 178.00 177.89 1nwk n GLU 334 N -4.48 3.71 0.13 1.05 0.00 -1.26 -4.57 120.64 115.21 1nwk n GLU 334 Ca 0.11 -2.40 0.07 0.00 0.00 0.00 0.00 57.16 54.94 1nwk n GLU 334 Cb 0.38 -1.97 0.37 0.00 0.00 0.00 0.00 31.44 30.22 1nwk n GLU 334 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.13 180.02 1nwk n ARG 335 N 0.65 0.09 0.26 3.44 1.85 -0.53 -0.98 116.66 121.44 1nwk n ARG 335 Ca 0.21 0.56 0.11 0.00 -1.00 0.00 0.00 57.85 57.73 1nwk n ARG 335 Cb 0.89 -1.96 0.70 0.00 -1.05 0.00 0.00 32.46 31.04 1nwk n ARG 335 CO 0.00 0.00 0.00 -0.22 -0.01 0.00 0.00 177.63 177.40 1nwk h LYS 336 N 0.00 0.00 0.00 2.89 3.64 -1.81 -1.42 116.57 119.88 1nwk h LYS 336 Ca 0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1nwk h LYS 336 Cb 0.32 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.07 1nwk h LYS 336 CO 0.00 0.11 -0.43 0.66 -2.27 0.00 0.00 179.45 177.52 1nwk n TYR 337 N -3.92 0.00 -0.34 1.91 4.01 -0.15 -4.20 117.16 114.47 1nwk n TYR 337 Ca -0.02 -0.90 0.06 0.00 -0.16 0.00 0.00 57.90 56.88 1nwk n TYR 337 Cb 0.20 -0.16 0.22 0.00 -0.31 0.00 0.00 39.34 39.29 1nwk n TYR 337 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 1nwk h SER 338 N 0.50 0.81 0.03 7.72 0.02 -1.37 0.63 113.55 121.89 1nwk h SER 338 Ca -0.04 0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1nwk h SER 338 Cb 1.23 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.66 1nwk h SER 338 CO 0.02 0.42 -0.01 0.58 -1.14 0.00 0.00 176.83 176.70 1nwk h VAL 339 N 0.89 1.03 -0.51 2.27 2.07 -1.85 0.71 116.25 120.86 1nwk h VAL 339 Ca 0.47 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.80 1nwk h VAL 339 Cb 0.50 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 1nwk h VAL 339 CO -0.28 0.05 0.29 -0.25 0.02 0.00 0.00 177.57 177.40 1nwk h TRP 340 N -0.12 0.70 -0.80 1.57 7.01 -1.79 -1.87 115.95 120.64 1nwk h TRP 340 Ca -0.00 -0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.00 1nwk h TRP 340 Cb 0.11 -0.22 -0.04 0.00 -2.10 0.00 0.00 29.16 26.90 1nwk h TRP 340 CO -0.05 0.50 0.53 0.82 -2.79 0.00 0.00 178.44 177.45 1nwk h ILE 341 N 0.68 1.19 -0.83 2.65 2.04 -0.71 0.81 117.51 123.34 1nwk h ILE 341 Ca 0.18 -0.36 0.01 0.00 1.00 0.00 0.00 64.86 65.69 1nwk h ILE 341 Cb 0.03 0.03 -0.04 0.00 -0.74 0.00 0.00 36.82 36.10 1nwk h ILE 341 CO -0.03 0.19 0.55 1.23 0.00 0.00 0.00 178.15 180.09 1nwk h GLY 342 N 1.06 1.18 1.16 5.37 0.00 -0.49 -1.02 103.07 110.33 1nwk h GLY 342 Ca 0.30 -0.43 -0.08 0.00 0.00 0.00 0.00 47.33 47.12 1nwk h GLY 342 CO -0.07 0.41 0.08 -1.33 0.00 0.00 0.00 176.54 175.63 1nwk h GLY 343 N 1.11 1.11 0.98 4.60 0.00 -0.46 -2.07 103.07 108.34 1nwk h GLY 343 Ca 0.31 -0.73 -0.01 0.00 0.00 0.00 0.00 47.33 46.90 1nwk h GLY 343 CO -0.08 0.68 0.27 0.23 0.00 0.00 0.00 176.54 177.64 1nwk h SER 344 N 0.96 0.57 0.33 0.19 0.87 -0.23 0.57 113.55 116.83 1nwk h SER 344 Ca 0.19 -0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.66 1nwk h SER 344 Cb 0.44 -0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.25 1nwk h SER 344 CO 0.01 0.48 -0.18 0.40 -0.53 0.00 0.00 176.83 177.02 1nwk h ILE 345 N 0.62 0.64 -0.28 2.23 2.04 -1.05 -2.10 117.51 119.60 1nwk h ILE 345 Ca 0.17 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.02 1nwk h ILE 345 Cb 0.03 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 1nwk h ILE 345 CO -0.03 0.00 0.16 0.25 0.00 0.00 0.00 178.15 178.53 1nwk h LEU 346 N -0.47 0.35 -2.06 1.44 5.85 -1.24 -2.72 115.31 116.46 1nwk h LEU 346 Ca -0.04 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.60 1nwk h LEU 346 Cb 0.37 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.31 1nwk h LEU 346 CO 0.06 0.33 0.00 0.00 -0.34 0.00 0.00 178.44 178.49 1nwk h ALA 347 N 1.04 1.00 -0.01 1.25 0.00 -0.85 -2.50 119.26 119.18 1nwk h ALA 347 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1nwk h ALA 347 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1nwk h ALA 347 CO -0.02 0.00 -0.15 -1.13 0.00 0.00 0.00 179.25 177.95 1nwk n SER 348 N -3.04 0.91 -4.25 0.00 3.41 -0.80 -4.59 113.62 105.26 1nwk n SER 348 Ca -0.01 -0.92 -0.43 0.00 -0.26 0.00 0.00 58.87 57.25 1nwk n SER 348 Cb 0.20 0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.19 1nwk n SER 348 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1nwk n LEU 349 N -0.59 5.73 0.28 1.04 4.77 -0.94 -4.80 117.00 122.48 1nwk n LEU 349 Ca 0.15 -4.30 0.18 0.00 -0.03 0.00 0.00 56.01 52.01 1nwk n LEU 349 Cb 0.32 -1.63 0.95 0.00 -2.33 0.00 0.00 43.42 40.73 1nwk n LEU 349 CO 0.23 0.77 1.15 0.77 -1.33 0.00 0.00 177.39 178.98 1nwk h SER 350 N 6.76 0.00 -0.28 -1.43 4.64 -1.87 -1.22 113.55 120.15 1nwk h SER 350 Ca 0.41 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.72 1nwk h SER 350 Cb 0.78 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.85 1nwk h SER 350 CO 1.49 0.00 0.14 0.74 -0.87 0.00 0.00 176.83 178.33 1nwk h THR 351 N 0.00 1.12 -0.60 2.95 2.02 -1.99 -1.06 112.91 115.36 1nwk h THR 351 Ca 0.03 -0.37 -0.24 0.00 0.77 0.00 0.00 66.41 66.60 1nwk h THR 351 Cb 0.27 0.73 -0.15 0.00 -1.74 0.00 0.00 68.15 67.27 1nwk h THR 351 CO -0.00 0.14 0.31 0.49 0.37 0.00 0.00 175.52 176.83 1nwk n PHE 352 N -4.42 1.92 0.14 3.16 3.01 -0.46 -4.58 117.46 116.24 1nwk n PHE 352 Ca 0.02 -1.14 0.19 0.00 1.01 0.00 0.00 57.45 57.53 1nwk n PHE 352 Cb 0.13 -0.62 0.76 0.00 -0.01 0.00 0.00 39.48 39.73 1nwk n PHE 352 CO 0.00 0.00 0.00 -0.56 1.01 0.00 0.00 176.76 177.21 1nwk h GLN 353 N 1.37 0.00 0.00 -1.08 3.07 -1.29 0.19 115.11 117.37 1nwk h GLN 353 Ca 0.30 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.04 1nwk h GLN 353 Cb 2.06 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.62 1nwk h GLN 353 CO 0.63 0.00 0.00 0.00 0.09 0.00 0.00 178.83 179.55 1nwk n GLN 354 N -3.55 0.05 0.21 0.06 -0.00 -1.26 -1.93 117.38 110.96 1nwk n GLN 354 Ca 0.05 0.32 0.10 0.00 -0.00 0.00 0.00 57.00 57.47 1nwk n GLN 354 Cb 0.56 -1.61 0.29 0.00 -0.00 0.00 0.00 30.24 29.49 1nwk n GLN 354 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.06 177.58 1nwk h MET 355 N 0.00 0.00 -6.98 2.61 2.86 -0.99 -3.45 114.93 108.98 1nwk h MET 355 Ca 0.00 0.00 -0.54 0.00 -2.06 0.00 0.00 59.70 57.10 1nwk h MET 355 Cb 0.26 0.00 0.11 0.00 0.06 0.00 0.00 31.60 32.03 1nwk h MET 355 CO 0.00 0.17 0.67 -1.58 1.06 0.00 0.00 176.91 177.23 1nwk s TRP 356 N -3.33 2.58 -0.31 -0.22 0.52 -0.81 -4.96 118.94 112.40 1nwk s TRP 356 Ca 0.04 1.32 -0.20 0.00 0.02 0.00 0.00 56.10 57.28 1nwk s TRP 356 Cb 0.07 -3.83 -0.01 0.00 -1.15 0.00 0.00 33.47 28.56 1nwk s TRP 356 CO 0.66 -2.64 0.60 0.42 0.02 0.00 0.00 176.95 176.01 1nwk s ILE 357 N -1.23 4.96 0.59 2.03 1.01 0.15 -4.90 121.20 123.81 1nwk s ILE 357 Ca 0.60 0.75 -0.04 0.00 0.00 0.00 0.00 60.65 61.96 1nwk s ILE 357 Cb -0.42 -3.98 0.02 0.00 0.01 0.00 0.00 42.46 38.09 1nwk s ILE 357 CO 0.53 -0.15 0.87 0.42 0.00 0.00 0.00 174.94 176.61 1nwk s THR 358 N 2.56 3.25 0.21 2.92 -4.23 -1.26 -1.06 115.64 118.03 1nwk s THR 358 Ca 0.24 -0.25 -0.09 0.00 -1.18 0.00 0.00 61.69 60.41 1nwk s THR 358 Cb -0.15 -3.29 0.17 0.00 1.34 0.00 0.00 72.50 70.57 1nwk s THR 358 CO 0.12 -0.27 1.85 0.50 -0.54 0.00 0.00 174.62 176.29 1nwk h LYS 359 N -0.13 1.09 -0.48 3.99 1.63 -1.56 -1.53 116.57 119.57 1nwk h LYS 359 Ca -0.45 -0.10 0.01 0.00 -0.85 0.00 0.00 60.65 59.26 1nwk h LYS 359 Cb 1.28 -0.22 -0.03 0.00 -0.60 0.00 0.00 32.23 32.65 1nwk h LYS 359 CO 0.59 0.77 0.30 0.37 -3.45 0.00 0.00 179.45 178.03 1nwk h GLN 360 N 1.09 0.58 -0.10 1.90 4.15 -1.94 0.12 115.11 120.91 1nwk h GLN 360 Ca 0.28 -0.04 -0.04 0.00 0.77 0.00 0.00 58.65 59.63 1nwk h GLN 360 Cb -0.03 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.52 1nwk h GLN 360 CO -0.05 0.39 -0.14 0.93 -1.93 0.00 0.00 178.83 178.03 1nwk h GLU 361 N 0.60 0.16 -0.35 1.69 5.08 -1.86 -2.24 114.58 117.66 1nwk h GLU 361 Ca 0.18 -0.03 -0.17 0.00 -1.00 0.00 0.00 59.36 58.34 1nwk h GLU 361 Cb -0.02 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 1nwk h GLU 361 CO -0.07 0.30 -0.44 -0.92 -1.00 0.00 0.00 179.01 176.89 1nwk h TYR 362 N 0.15 1.12 0.18 4.33 3.20 -0.25 -2.07 116.97 123.63 1nwk h TYR 362 Ca 0.03 -0.36 0.00 0.00 3.14 0.00 0.00 58.73 61.55 1nwk h TYR 362 Cb 0.34 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.37 1nwk h TYR 362 CO 0.00 1.19 -0.15 -0.44 -1.64 0.00 0.00 178.16 177.12 1nwk h ASP 363 N 0.74 -0.38 0.74 -2.11 3.32 -0.41 0.50 116.42 118.80 1nwk h ASP 363 Ca 0.05 0.03 -0.14 0.00 0.02 0.00 0.00 57.03 56.99 1nwk h ASP 363 Cb 1.04 0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.70 1nwk h ASP 363 CO 0.10 -0.23 -0.68 1.05 -1.72 0.00 0.00 179.24 177.77 1nwk h GLU 364 N -0.34 0.00 0.00 3.56 4.11 -1.55 -3.35 114.58 117.01 1nwk h GLU 364 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.42 1nwk h GLU 364 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1nwk h GLU 364 CO -0.02 0.68 -1.47 0.00 0.07 0.00 0.00 179.01 178.27 1nwk n ALA 365 N -2.39 2.65 -0.05 1.06 0.00 -0.78 -5.12 120.51 115.88 1nwk n ALA 365 Ca -0.01 -0.32 0.01 0.00 0.00 0.00 0.00 53.44 53.12 1nwk n ALA 365 Cb 0.68 -0.46 -0.00 0.00 0.00 0.00 0.00 19.45 19.67 1nwk n ALA 365 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nwk n GLY 366 N 1.69 -2.24 0.43 0.00 0.00 0.17 -4.32 105.19 100.92 1nwk n GLY 366 Ca -0.02 -1.51 0.25 0.00 0.00 0.00 0.00 46.02 44.73 1nwk n GLY 366 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1nwk h PRO 367 N 0.00 0.00 0.00 1.61 0.11 -1.91 -2.51 132.00 129.30 1nwk h PRO 367 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1nwk h PRO 367 Cb 0.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.15 1nwk h PRO 367 CO 0.00 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.66 1nwk n SER 368 N -4.15 0.60 0.28 -2.05 3.41 -1.26 -2.40 113.62 108.05 1nwk n SER 368 Ca 0.14 0.72 0.17 0.00 -0.26 0.00 0.00 58.87 59.64 1nwk n SER 368 Cb 0.80 -0.82 0.76 0.00 -0.26 0.00 0.00 64.21 64.68 1nwk n SER 368 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 1nwk h ILE 369 N 0.00 0.09 0.00 -1.33 -0.00 -1.66 -3.05 117.51 111.56 1nwk h ILE 369 Ca 0.00 -0.49 -0.04 0.00 -0.00 0.00 0.00 64.86 64.33 1nwk h ILE 369 Cb 0.15 1.44 -0.01 0.00 -0.00 0.00 0.00 36.82 38.40 1nwk h ILE 369 CO 0.00 0.03 -0.19 1.62 -0.00 0.00 0.00 178.15 179.61 1nwk h VAL 370 N 0.00 0.87 0.00 2.19 3.04 -1.72 -3.51 116.25 117.12 1nwk h VAL 370 Ca -0.00 -0.72 0.00 0.00 -1.01 0.00 0.00 66.70 64.97 1nwk h VAL 370 Cb 0.44 1.42 0.00 0.00 -2.01 0.00 0.00 31.29 31.14 1nwk h VAL 370 CO 0.00 0.19 0.00 1.41 -1.01 0.00 0.00 177.57 178.16