#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t44 s ALA 7 N 0.00 2.82 0.09 1.79 0.00 -1.26 -4.51 121.76 120.68 1t44 s ALA 7 Ca 0.00 0.54 0.02 0.00 0.00 0.00 0.00 51.96 52.52 1t44 s ALA 7 Cb 0.00 -3.25 -0.04 0.00 0.00 0.00 0.00 23.12 19.83 1t44 s ALA 7 CO 0.00 -0.51 0.14 -0.51 0.00 0.00 0.00 175.76 174.89 1t44 s LEU 8 N -3.87 4.03 -0.12 0.00 1.43 -0.07 -0.86 118.68 119.21 1t44 s LEU 8 Ca 0.66 0.08 -0.00 0.00 -1.03 0.00 0.00 54.13 53.85 1t44 s LEU 8 Cb -0.16 -2.67 0.02 0.00 0.03 0.00 0.00 46.19 43.41 1t44 s LEU 8 CO 0.26 0.15 -0.10 -0.69 0.23 0.00 0.00 176.35 176.21 1t44 s VAL 9 N -1.50 1.21 -0.21 -1.59 1.01 -0.11 -0.81 120.40 118.40 1t44 s VAL 9 Ca 0.32 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 61.90 1t44 s VAL 9 Cb -0.12 -1.18 0.05 0.00 0.00 0.00 0.00 36.38 35.12 1t44 s VAL 9 CO 0.25 0.40 -0.08 0.00 0.00 0.00 0.00 175.10 175.66 1t44 s ASP 11 N 1.42 5.88 -0.26 0.00 3.68 0.22 -2.90 116.67 124.71 1t44 s ASP 11 Ca -0.03 -1.70 -0.17 0.00 2.13 0.00 0.00 52.55 52.78 1t44 s ASP 11 Cb -0.17 -2.08 -0.03 0.00 -1.45 0.00 0.00 42.92 39.18 1t44 s ASP 11 CO -0.07 -0.70 0.46 0.20 0.13 0.00 0.00 175.17 175.19 1t44 s ASN 12 N 2.78 6.37 0.49 -0.34 -0.87 -1.26 -1.72 114.94 120.40 1t44 s ASN 12 Ca 0.04 0.44 0.03 0.00 -1.57 0.00 0.00 52.86 51.80 1t44 s ASN 12 Cb -0.26 -2.25 -0.01 0.00 -0.02 0.00 0.00 41.25 38.70 1t44 s ASN 12 CO 0.02 -0.25 0.11 -0.83 -2.57 0.00 0.00 177.10 173.59 1t44 s GLY 13 N 1.57 2.74 0.29 0.66 0.00 -0.63 -4.93 107.32 107.03 1t44 s GLY 13 Ca 0.19 -1.00 -0.02 0.00 0.00 0.00 0.00 44.72 43.89 1t44 s GLY 13 CO 0.09 -2.10 1.94 1.76 0.00 0.00 0.00 173.10 174.80 1t44 h SER 14 N 1.28 0.93 0.00 1.64 0.02 -1.92 -3.33 113.55 112.16 1t44 h SER 14 Ca -0.42 -0.05 -0.29 0.00 -0.84 0.00 0.00 61.79 60.19 1t44 h SER 14 Cb 1.30 -0.23 -0.05 0.00 0.14 0.00 0.00 62.40 63.55 1t44 h SER 14 CO 0.71 0.71 -2.05 0.61 -1.14 0.00 0.00 176.83 175.67 1t44 n GLY 15 N -1.31 -0.27 2.95 -3.77 0.00 -1.26 -4.72 105.19 96.81 1t44 n GLY 15 Ca 0.08 -0.11 -0.16 0.00 0.00 0.00 0.00 46.02 45.83 1t44 n GLY 15 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1t44 s LEU 16 N -6.32 2.00 -0.12 0.99 1.43 -1.25 -1.20 118.68 114.21 1t44 s LEU 16 Ca -0.25 -0.09 -0.17 0.00 -1.03 0.00 0.00 54.13 52.59 1t44 s LEU 16 Cb 0.07 -0.26 -0.04 0.00 0.03 0.00 0.00 46.19 45.99 1t44 s LEU 16 CO 0.40 0.06 0.43 -0.69 0.23 0.00 0.00 176.35 176.78 1t44 s VAL 17 N -0.11 5.21 -0.24 -1.59 1.01 0.17 -1.61 120.40 123.24 1t44 s VAL 17 Ca 0.02 0.85 -0.02 0.00 0.00 0.00 0.00 61.98 62.83 1t44 s VAL 17 Cb -0.02 -3.77 0.02 0.00 0.00 0.00 0.00 36.38 32.61 1t44 s VAL 17 CO -0.00 0.36 -0.06 -0.54 0.00 0.00 0.00 175.10 174.86 1t44 s LYS 18 N 0.47 2.94 0.05 2.72 3.01 -0.70 -1.67 119.74 126.56 1t44 s LYS 18 Ca 0.23 -0.91 0.04 0.00 -1.01 0.00 0.00 55.97 54.33 1t44 s LYS 18 Cb -0.15 -2.98 -0.03 0.00 -1.01 0.00 0.00 37.83 33.67 1t44 s LYS 18 CO 0.09 -0.36 -0.12 0.00 0.51 0.00 0.00 175.35 175.48 1t44 s ALA 19 N 1.35 0.93 0.00 5.17 0.00 -0.27 -0.61 121.76 128.33 1t44 s ALA 19 Ca 0.01 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.11 1t44 s ALA 19 Cb -0.16 -0.06 0.00 0.00 0.00 0.00 0.00 23.12 22.90 1t44 s ALA 19 CO -0.05 0.10 0.00 0.41 0.00 0.00 0.00 175.76 176.23 1t44 n GLY 20 N 1.49 0.72 3.50 0.00 0.00 -0.35 -0.98 105.19 109.58 1t44 n GLY 20 Ca -0.21 -0.72 -0.33 0.00 0.00 0.00 0.00 46.02 44.76 1t44 n GLY 20 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1t44 s PHE 21 N -2.39 2.89 0.30 1.61 0.08 -1.26 -0.93 117.98 118.28 1t44 s PHE 21 Ca 0.00 -0.22 -0.30 0.00 0.12 0.00 0.00 56.93 56.53 1t44 s PHE 21 Cb 0.00 -1.78 -0.12 0.00 -0.57 0.00 0.00 43.02 40.55 1t44 s PHE 21 CO 0.00 0.11 1.45 0.00 -0.10 0.00 0.00 175.22 176.68 1t44 n ALA 22 N 2.81 1.81 0.00 5.36 0.00 -0.04 -2.18 120.51 128.27 1t44 n ALA 22 Ca -0.18 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1t44 n ALA 22 Cb 0.53 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.62 1t44 n ALA 22 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t44 n GLY 23 N 1.54 2.64 3.85 0.00 0.00 -1.20 -4.75 105.19 107.28 1t44 n GLY 23 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 1t44 n GLY 23 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1t44 s ASP 24 N -1.26 6.65 0.00 1.61 1.01 -0.93 -4.98 116.67 118.76 1t44 s ASP 24 Ca 0.00 1.42 0.29 0.00 0.71 0.00 0.00 52.55 54.97 1t44 s ASP 24 Cb 0.00 -2.44 1.24 0.00 1.01 0.00 0.00 42.92 42.72 1t44 s ASP 24 CO 0.00 -0.46 1.88 -0.90 0.21 0.00 0.00 175.17 175.90 1t44 n ASP 25 N -1.23 0.31 -3.52 0.27 5.75 -1.26 -4.88 116.55 111.98 1t44 n ASP 25 Ca 0.05 -0.32 -0.11 0.00 -0.01 0.00 0.00 54.79 54.40 1t44 n ASP 25 Cb 0.54 -0.14 -0.02 0.00 -1.03 0.00 0.00 41.12 40.46 1t44 n ASP 25 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1t44 s ALA 26 N -2.60 -1.45 0.53 2.12 0.00 -1.26 -4.91 121.76 114.18 1t44 s ALA 26 Ca 0.26 0.28 -0.22 0.00 0.00 0.00 0.00 51.96 52.28 1t44 s ALA 26 Cb 0.20 0.87 -0.05 0.00 0.00 0.00 0.00 23.12 24.13 1t44 s ALA 26 CO 0.50 -0.81 1.31 -1.25 0.00 0.00 0.00 175.76 175.51 1t44 s PRO 27 N -3.79 3.26 0.23 0.00 0.04 -1.26 -4.79 135.00 128.70 1t44 s PRO 27 Ca 0.03 2.12 0.04 0.00 0.04 0.00 0.00 61.00 63.23 1t44 s PRO 27 Cb -0.02 -2.27 0.23 0.00 0.04 0.00 0.00 34.50 32.47 1t44 s PRO 27 CO -0.09 -1.05 1.54 0.00 0.04 0.00 0.00 177.00 177.44 1t44 h ARG 28 N 1.56 0.25 -3.24 4.56 2.47 -1.42 -3.47 114.38 115.10 1t44 h ARG 28 Ca -0.51 -0.18 -0.19 0.00 -1.26 0.00 0.00 59.98 57.85 1t44 h ARG 28 Cb 1.29 0.03 -0.27 0.00 -1.65 0.00 0.00 29.97 29.36 1t44 h ARG 28 CO 0.58 0.79 -0.51 0.00 0.56 0.00 0.00 179.97 181.39 1t44 s ALA 29 N -3.74 -0.46 -0.08 0.04 0.00 -0.86 -5.03 121.76 111.63 1t44 s ALA 29 Ca -0.04 0.62 0.01 0.00 0.00 0.00 0.00 51.96 52.55 1t44 s ALA 29 Cb 0.12 -0.37 0.02 0.00 0.00 0.00 0.00 23.12 22.88 1t44 s ALA 29 CO 0.80 -0.11 -0.09 0.08 0.00 0.00 0.00 175.76 176.44 1t44 s VAL 30 N 0.39 1.00 0.06 0.00 1.01 -1.26 -1.12 120.40 120.48 1t44 s VAL 30 Ca -0.02 -0.34 -0.17 0.00 0.00 0.00 0.00 61.98 61.45 1t44 s VAL 30 Cb -0.04 -0.97 0.03 0.00 0.00 0.00 0.00 36.38 35.40 1t44 s VAL 30 CO -0.02 0.34 0.39 0.72 0.00 0.00 0.00 175.10 176.54 1t44 s PHE 31 N 1.17 -0.22 0.29 5.22 -0.12 -0.67 -4.98 117.98 118.66 1t44 s PHE 31 Ca -0.05 0.11 -0.29 0.00 -0.05 0.00 0.00 56.93 56.65 1t44 s PHE 31 Cb -0.14 0.20 -0.10 0.00 -0.63 0.00 0.00 43.02 42.35 1t44 s PHE 31 CO -0.02 -0.59 1.27 -1.25 -0.05 0.00 0.00 175.22 174.58 1t44 s PRO 32 N -2.76 4.42 -1.41 1.99 0.04 -1.26 -0.66 135.00 135.36 1t44 s PRO 32 Ca -0.03 2.10 -0.14 0.00 0.04 0.00 0.00 61.00 62.96 1t44 s PRO 32 Cb -0.00 -3.12 0.06 0.00 0.04 0.00 0.00 34.50 31.48 1t44 s PRO 32 CO -0.04 -0.12 2.10 0.45 0.04 0.00 0.00 177.00 179.42 1t44 n SER 33 N 1.34 4.21 -4.03 6.66 2.88 -0.34 -3.94 113.62 120.39 1t44 n SER 33 Ca 0.01 -2.89 -0.12 0.00 -1.33 0.00 0.00 58.87 54.54 1t44 n SER 33 Cb 0.43 -1.64 -0.12 0.00 -0.75 0.00 0.00 64.21 62.13 1t44 n SER 33 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 1t44 s ILE 34 N 2.91 0.42 -0.08 2.46 -4.36 -1.26 -4.17 121.20 117.12 1t44 s ILE 34 Ca 0.47 -0.98 0.04 0.00 -0.26 0.00 0.00 60.65 59.92 1t44 s ILE 34 Cb 0.12 -0.50 0.00 0.00 1.25 0.00 0.00 42.46 43.33 1t44 s ILE 34 CO -0.05 -0.38 -0.19 -0.69 0.24 0.00 0.00 174.94 173.87 1t44 s VAL 35 N -1.31 1.68 0.01 8.37 1.01 -0.65 -1.75 120.40 127.76 1t44 s VAL 35 Ca -0.11 -0.81 0.08 0.00 0.00 0.00 0.00 61.98 61.14 1t44 s VAL 35 Cb -0.09 -1.47 -0.02 0.00 0.00 0.00 0.00 36.38 34.80 1t44 s VAL 35 CO 0.00 0.48 -0.24 -0.83 0.00 0.00 0.00 175.10 174.50 1t44 s GLY 36 N 0.36 1.25 0.08 4.51 0.00 0.23 -1.09 107.32 112.66 1t44 s GLY 36 Ca -0.14 -1.12 0.05 0.00 0.00 0.00 0.00 44.72 43.51 1t44 s GLY 36 CO 0.06 -0.98 -0.13 0.50 0.00 0.00 0.00 173.10 172.55 1t44 s ARG 37 N -0.87 0.85 0.17 2.90 0.52 -0.77 -0.81 118.95 120.93 1t44 s ARG 37 Ca 0.10 -1.03 -0.28 0.00 -0.52 0.00 0.00 55.73 54.00 1t44 s ARG 37 Cb -0.09 -0.78 -0.00 0.00 0.52 0.00 0.00 34.95 34.60 1t44 s ARG 37 CO 0.00 0.16 1.55 -1.35 0.02 0.00 0.00 175.30 175.68 1t44 h PRO 38 N 4.05 -0.10 0.00 3.54 0.11 -1.89 -1.06 132.00 136.66 1t44 h PRO 38 Ca -0.40 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1t44 h PRO 38 Cb 1.19 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1t44 h PRO 38 CO 0.44 -0.07 0.00 0.38 -0.21 0.00 0.00 178.00 178.54 1t44 h ASP 51 N -0.10 0.00 -5.17 -2.05 -0.00 -2.08 -3.43 116.42 103.58 1t44 h ASP 51 Ca 0.18 0.00 -0.07 0.00 -0.00 0.00 0.00 57.03 57.14 1t44 h ASP 51 Cb 0.50 0.00 -0.13 0.00 -0.00 0.00 0.00 39.33 39.70 1t44 h ASP 51 CO -0.85 0.00 -0.22 -0.94 -0.00 0.00 0.00 179.24 177.22 1t44 s SER 52 N -5.32 -0.04 0.06 4.15 1.04 -1.26 -5.05 113.70 107.27 1t44 s SER 52 Ca 0.05 -0.64 0.03 0.00 0.48 0.00 0.00 55.95 55.87 1t44 s SER 52 Cb 0.09 0.44 -0.03 0.00 0.10 0.00 0.00 66.02 66.62 1t44 s SER 52 CO 0.56 -0.87 -0.10 -0.31 0.98 0.00 0.00 173.24 173.50 1t44 s TYR 53 N -3.89 0.88 0.03 5.02 1.51 0.01 -4.99 117.35 115.91 1t44 s TYR 53 Ca 0.10 -0.54 0.05 0.00 -1.01 0.00 0.00 57.07 55.67 1t44 s TYR 53 Cb 0.03 -0.51 -0.02 0.00 -0.11 0.00 0.00 41.96 41.35 1t44 s TYR 53 CO -0.06 -0.04 -0.16 0.08 -1.11 0.00 0.00 175.55 174.27 1t44 s VAL 54 N -1.65 1.25 0.00 0.71 1.01 -1.26 -0.60 120.40 119.85 1t44 s VAL 54 Ca -0.04 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 60.96 1t44 s VAL 54 Cb -0.08 -1.11 0.00 0.00 0.00 0.00 0.00 36.38 35.19 1t44 s VAL 54 CO 0.00 0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.83 1t44 n GLY 55 N 2.05 1.73 0.37 4.51 0.00 -0.72 -3.01 105.19 110.12 1t44 n GLY 55 Ca -0.17 -0.55 0.12 0.00 0.00 0.00 0.00 46.02 45.42 1t44 n GLY 55 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1t44 h ASP 56 N 5.24 0.63 0.73 1.61 2.03 -1.92 -1.24 116.42 123.50 1t44 h ASP 56 Ca 0.00 0.04 -0.17 0.00 -0.73 0.00 0.00 57.03 56.16 1t44 h ASP 56 Cb 0.00 -0.09 -0.02 0.00 -0.83 0.00 0.00 39.33 38.39 1t44 h ASP 56 CO 0.00 0.32 -0.81 1.05 -1.03 0.00 0.00 179.24 178.77 1t44 h GLU 57 N 0.67 0.06 -0.68 4.15 4.11 -1.94 -0.76 114.58 120.19 1t44 h GLU 57 Ca 0.43 -0.06 -0.08 0.00 0.07 0.00 0.00 59.36 59.73 1t44 h GLU 57 Cb 0.71 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.95 1t44 h GLU 57 CO -0.19 0.84 0.13 0.00 0.07 0.00 0.00 179.01 179.86 1t44 h ALA 58 N 1.14 0.94 -0.02 1.06 0.00 -1.37 -1.80 119.26 119.22 1t44 h ALA 58 Ca -0.02 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 1t44 h ALA 58 Cb 1.43 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1t44 h ALA 58 CO 0.11 0.66 0.00 0.37 0.00 0.00 0.00 179.25 180.40 1t44 h GLN 59 N 1.04 0.03 0.00 0.00 5.75 -1.10 -2.32 115.11 118.50 1t44 h GLN 59 Ca 0.21 -0.01 -0.09 0.00 -0.15 0.00 0.00 58.65 58.61 1t44 h GLN 59 Cb 0.41 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.95 1t44 h GLN 59 CO 0.01 0.29 -0.42 0.66 -2.65 0.00 0.00 178.83 176.72 1t44 h SER 60 N -0.24 0.00 -0.51 -0.69 4.64 -1.12 -2.64 113.55 112.99 1t44 h SER 60 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1t44 h SER 60 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1t44 h SER 60 CO 0.00 0.42 0.00 0.29 -0.87 0.00 0.00 176.83 176.67 1t44 n LYS 61 N -3.84 4.18 0.20 4.77 5.02 -0.68 -4.62 118.16 123.18 1t44 n LYS 61 Ca -0.01 -2.68 0.14 0.00 -2.02 0.00 0.00 58.31 53.74 1t44 n LYS 61 Cb 0.48 -2.09 0.66 0.00 -0.02 0.00 0.00 35.03 34.05 1t44 n LYS 61 CO 0.00 0.00 0.00 0.07 -0.52 0.00 0.00 177.40 176.95 1t44 h ARG 62 N 3.48 0.00 -0.98 1.97 0.11 -1.03 -2.22 114.38 115.72 1t44 h ARG 62 Ca 0.00 0.00 0.20 0.00 0.10 0.00 0.00 59.98 60.28 1t44 h ARG 62 Cb 1.68 0.00 -0.09 0.00 1.11 0.00 0.00 29.97 32.67 1t44 h ARG 62 CO 0.38 0.00 0.62 0.78 0.10 0.00 0.00 179.97 181.85 1t44 h GLY 63 N 1.18 1.43 -1.12 0.08 0.00 -1.85 -2.91 103.07 99.88 1t44 h GLY 63 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.04 1t44 h GLY 63 CO 0.00 -0.05 0.00 0.29 0.00 0.00 0.00 176.54 176.78 1t44 n ILE 64 N -4.66 0.70 -4.47 2.60 -5.35 -0.84 -5.03 119.36 102.32 1t44 n ILE 64 Ca 0.22 -0.85 -0.24 0.00 -0.27 0.00 0.00 62.75 61.61 1t44 n ILE 64 Cb 0.64 0.72 -0.10 0.00 -1.74 0.00 0.00 39.64 39.16 1t44 n ILE 64 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1t44 s LEU 65 N -0.97 2.61 0.04 7.28 1.43 -1.10 -4.41 118.68 123.57 1t44 s LEU 65 Ca 0.19 -1.06 0.05 0.00 -1.03 0.00 0.00 54.13 52.29 1t44 s LEU 65 Cb 0.11 -1.04 -0.04 0.00 0.03 0.00 0.00 46.19 45.25 1t44 s LEU 65 CO 0.15 -0.02 -0.10 0.42 0.23 0.00 0.00 176.35 177.03 1t44 s THR 66 N -2.57 3.40 0.10 5.49 -4.23 -0.40 -4.88 115.64 112.54 1t44 s THR 66 Ca 0.30 -1.02 0.05 0.00 -1.18 0.00 0.00 61.69 59.85 1t44 s THR 66 Cb -0.03 -2.51 -0.04 0.00 1.34 0.00 0.00 72.50 71.26 1t44 s THR 66 CO 0.14 0.29 -0.02 -0.76 -0.54 0.00 0.00 174.62 173.73 1t44 s LEU 67 N -1.69 3.38 0.04 4.79 1.43 -1.26 -1.85 118.68 123.52 1t44 s LEU 67 Ca 0.18 -0.23 0.05 0.00 -1.03 0.00 0.00 54.13 53.10 1t44 s LEU 67 Cb -0.11 -2.12 -0.02 0.00 0.03 0.00 0.00 46.19 43.97 1t44 s LEU 67 CO 0.09 0.17 -0.14 -0.54 0.23 0.00 0.00 176.35 176.16 1t44 s LYS 68 N -2.33 0.91 -0.29 1.70 1.02 -0.25 -4.99 119.74 115.51 1t44 s LYS 68 Ca 0.25 -0.76 -0.01 0.00 0.02 0.00 0.00 55.97 55.47 1t44 s LYS 68 Cb -0.11 -0.91 0.04 0.00 -0.52 0.00 0.00 37.83 36.33 1t44 s LYS 68 CO 0.18 0.22 -0.02 0.71 -0.92 0.00 0.00 175.35 175.52 1t44 s TYR 69 N -0.87 3.22 -0.23 3.18 1.51 -1.26 -1.63 117.35 121.26 1t44 s TYR 69 Ca 0.01 -1.83 0.27 0.00 -1.01 0.00 0.00 57.07 54.52 1t44 s TYR 69 Cb -0.08 -2.08 1.19 0.00 -0.11 0.00 0.00 41.96 40.87 1t44 s TYR 69 CO 0.01 -0.79 1.82 -1.00 -1.11 0.00 0.00 175.55 174.48 1t44 h PRO 70 N 7.99 0.00 -5.16 -1.71 0.13 -1.88 -3.42 132.00 127.95 1t44 h PRO 70 Ca -0.24 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.23 1t44 h PRO 70 Cb 1.07 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 31.89 1t44 h PRO 70 CO 0.54 0.00 -0.81 0.42 -0.23 0.00 0.00 178.00 177.91 1t44 s ILE 71 N -3.48 2.55 -0.12 -3.56 1.01 -1.26 -0.75 121.20 115.59 1t44 s ILE 71 Ca 0.02 -0.80 0.03 0.00 0.00 0.00 0.00 60.65 59.90 1t44 s ILE 71 Cb 0.09 -2.08 0.01 0.00 0.01 0.00 0.00 42.46 40.49 1t44 s ILE 71 CO 0.41 0.52 -0.21 -1.61 0.00 0.00 0.00 174.94 174.05 1t44 s GLU 72 N 0.93 2.79 -1.72 2.79 2.02 -0.62 -4.62 118.70 120.27 1t44 s GLU 72 Ca -0.03 -0.78 -0.19 0.00 0.02 0.00 0.00 54.97 53.99 1t44 s GLU 72 Cb -0.15 -2.23 0.17 0.00 0.10 0.00 0.00 34.13 32.02 1t44 s GLU 72 CO -0.02 0.03 0.77 0.72 0.02 0.00 0.00 175.26 176.78 1t44 n HIS 73 N 3.93 -1.68 -0.02 1.61 8.25 -1.26 -1.38 115.22 124.66 1t44 n HIS 73 Ca -0.20 0.78 0.00 0.00 -0.26 0.00 0.00 57.72 58.04 1t44 n HIS 73 Cb 0.52 -2.81 0.00 0.00 1.12 0.00 0.00 29.99 28.82 1t44 n HIS 73 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1t44 n GLY 74 N -1.34 1.83 3.59 -1.41 0.00 -1.26 -4.73 105.19 101.87 1t44 n GLY 74 Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 1t44 n GLY 74 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1t44 s ILE 75 N -2.65 4.24 -0.01 -0.61 -1.09 -0.48 -4.34 121.20 116.26 1t44 s ILE 75 Ca 0.00 -0.25 -0.30 0.00 -2.23 0.00 0.00 60.65 57.87 1t44 s ILE 75 Cb 0.00 -2.85 -0.06 0.00 -1.58 0.00 0.00 42.46 37.98 1t44 s ILE 75 CO 0.00 0.52 1.52 -0.63 -1.23 0.00 0.00 174.94 175.13 1t44 s ILE 76 N -0.06 3.57 -0.01 2.92 1.01 -1.26 -1.59 121.20 125.78 1t44 s ILE 76 Ca 0.03 0.88 0.00 0.00 0.00 0.00 0.00 60.65 61.56 1t44 s ILE 76 Cb -0.13 -3.57 -0.00 0.00 0.01 0.00 0.00 42.46 38.78 1t44 s ILE 76 CO 0.02 -0.03 0.26 0.35 0.00 0.00 0.00 174.94 175.54 1t44 n THR 77 N 4.98 0.00 -3.65 2.92 -2.24 0.07 -4.91 114.28 111.44 1t44 n THR 77 Ca 0.15 -0.50 -0.29 0.00 -2.27 0.00 0.00 64.05 61.14 1t44 n THR 77 Cb 0.43 1.00 -0.14 0.00 -2.10 0.00 0.00 70.33 69.52 1t44 n THR 77 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1t44 s ASN 78 N -0.50 3.73 0.25 3.42 3.84 -1.04 -5.01 114.94 119.64 1t44 s ASN 78 Ca 0.00 -1.78 0.02 0.00 0.21 0.00 0.00 52.86 51.31 1t44 s ASN 78 Cb 0.00 -0.72 0.30 0.00 -0.55 0.00 0.00 41.25 40.28 1t44 s ASN 78 CO 0.00 -0.39 1.63 -0.50 -2.79 0.00 0.00 177.10 175.05 1t44 h TRP 79 N 7.82 0.50 -0.46 0.43 4.06 -1.91 -0.82 115.95 125.57 1t44 h TRP 79 Ca -0.11 -0.15 -0.08 0.00 2.06 0.00 0.00 58.89 60.62 1t44 h TRP 79 Cb 0.99 -0.11 -0.02 0.00 -1.00 0.00 0.00 29.16 29.03 1t44 h TRP 79 CO 0.37 0.78 -0.04 -0.44 -3.56 0.00 0.00 178.44 175.56 1t44 h ASP 80 N 0.34 0.83 0.49 -3.49 3.32 -2.00 -1.35 116.42 114.56 1t44 h ASP 80 Ca 0.03 -0.33 -0.15 0.00 0.02 0.00 0.00 57.03 56.60 1t44 h ASP 80 Cb 0.89 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.21 1t44 h ASP 80 CO 0.08 0.95 -0.66 0.44 -1.72 0.00 0.00 179.24 178.33 1t44 h ASP 81 N 0.68 0.18 -0.76 6.45 5.19 -1.97 -2.89 116.42 123.31 1t44 h ASP 81 Ca 0.13 -0.12 -0.02 0.00 -0.62 0.00 0.00 57.03 56.40 1t44 h ASP 81 Cb 0.55 -0.05 -0.04 0.00 0.18 0.00 0.00 39.33 39.97 1t44 h ASP 81 CO 0.03 0.79 0.40 -0.03 -3.12 0.00 0.00 179.24 177.32 1t44 h MET 82 N 0.11 1.08 -0.70 3.56 4.05 -0.92 -1.18 114.93 120.93 1t44 h MET 82 Ca -0.01 -0.13 -0.02 0.00 -0.28 0.00 0.00 59.70 59.26 1t44 h MET 82 Cb 1.19 -0.21 -0.03 0.00 -0.80 0.00 0.00 31.60 31.75 1t44 h MET 82 CO 0.10 0.80 0.35 0.93 0.23 0.00 0.00 176.91 179.32 1t44 h GLU 83 N 1.08 0.99 -0.69 0.39 5.08 -1.09 -1.06 114.58 119.27 1t44 h GLU 83 Ca 0.27 -0.13 -0.07 0.00 -1.00 0.00 0.00 59.36 58.43 1t44 h GLU 83 Cb 0.05 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.09 1t44 h GLU 83 CO -0.04 0.75 0.14 0.87 -1.00 0.00 0.00 179.01 179.73 1t44 h LYS 84 N 0.99 1.12 -0.44 2.33 1.57 -1.16 -0.53 116.57 120.44 1t44 h LYS 84 Ca 0.24 -0.28 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1t44 h LYS 84 Cb 0.08 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 1t44 h LYS 84 CO -0.03 1.01 0.22 0.82 -0.57 0.00 0.00 179.45 180.90 1t44 h ILE 85 N 1.05 1.17 -0.45 1.86 1.08 -0.68 -1.54 117.51 120.00 1t44 h ILE 85 Ca 0.21 -0.47 -0.12 0.00 -0.39 0.00 0.00 64.86 64.09 1t44 h ILE 85 Cb 0.41 0.68 -0.02 0.00 -3.07 0.00 0.00 36.82 34.82 1t44 h ILE 85 CO 0.01 0.19 -0.18 -0.50 -0.69 0.00 0.00 178.15 176.97 1t44 h TRP 86 N 0.57 1.01 -0.52 1.37 6.55 -1.03 -0.79 115.95 123.10 1t44 h TRP 86 Ca 0.15 -0.22 -0.00 0.00 0.95 0.00 0.00 58.89 59.77 1t44 h TRP 86 Cb 0.09 -0.24 -0.03 0.00 -0.86 0.00 0.00 29.16 28.12 1t44 h TRP 86 CO -0.01 0.99 0.31 1.25 -1.05 0.00 0.00 178.44 179.93 1t44 h HIS 87 N 0.78 0.69 -0.85 0.49 2.76 -0.90 -1.35 115.15 116.77 1t44 h HIS 87 Ca 0.11 -0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.25 1t44 h HIS 87 Cb 0.72 -0.23 -0.04 0.00 1.55 0.00 0.00 27.41 29.41 1t44 h HIS 87 CO 0.04 0.48 0.43 1.25 -1.30 0.00 0.00 177.93 178.83 1t44 h HIS 88 N 0.70 1.21 -0.10 5.26 -0.00 -1.08 -0.31 115.15 120.82 1t44 h HIS 88 Ca 0.19 -0.05 -0.00 0.00 -0.00 0.00 0.00 60.37 60.51 1t44 h HIS 88 Cb -0.01 -0.38 -0.00 0.00 -0.00 0.00 0.00 27.41 27.02 1t44 h HIS 88 CO -0.03 0.86 0.06 1.15 -0.00 0.00 0.00 177.93 179.97 1t44 h THR 89 N 1.21 1.08 -0.00 6.26 2.02 -0.62 -0.29 112.91 122.57 1t44 h THR 89 Ca 0.30 -0.23 -0.00 0.00 0.77 0.00 0.00 66.41 67.25 1t44 h THR 89 Cb 0.09 1.05 -0.00 0.00 -1.74 0.00 0.00 68.15 67.55 1t44 h THR 89 CO -0.04 0.07 -0.00 -0.26 0.37 0.00 0.00 175.52 175.66 1t44 h PHE 90 N 0.07 0.01 0.11 3.16 0.05 -1.07 0.14 116.94 119.40 1t44 h PHE 90 Ca 0.04 -0.00 -0.35 0.00 3.82 0.00 0.00 57.97 61.48 1t44 h PHE 90 Cb 0.07 -0.00 -0.02 0.00 2.00 0.00 0.00 35.95 38.00 1t44 h PHE 90 CO -0.05 0.51 -1.90 1.88 -0.18 0.00 0.00 178.31 178.58 1t44 h TYR 91 N -0.50 0.41 0.06 -0.55 -1.99 -1.11 -0.16 116.97 113.12 1t44 h TYR 91 Ca 0.00 -0.30 -0.37 0.00 2.00 0.00 0.00 58.73 60.06 1t44 h TYR 91 Cb 0.51 -0.02 -0.04 0.00 2.00 0.00 0.00 36.73 39.18 1t44 h TYR 91 CO 0.10 1.61 -2.18 0.09 -0.00 0.00 0.00 178.16 177.79 1t44 n ASN 92 N -3.41 1.78 -0.11 3.88 5.03 -0.19 -3.86 115.26 118.37 1t44 n ASN 92 Ca -0.28 0.08 -0.19 0.00 0.87 0.00 0.00 54.58 55.06 1t44 n ASN 92 Cb 1.05 -0.47 -0.08 0.00 -1.02 0.00 0.00 39.78 39.27 1t44 n ASN 92 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1t44 n GLU 93 N -3.30 0.55 0.15 3.52 -0.58 -0.75 -4.51 120.64 115.72 1t44 n GLU 93 Ca -0.36 0.37 0.10 0.00 -0.42 0.00 0.00 57.16 56.85 1t44 n GLU 93 Cb 1.04 -1.58 0.07 0.00 -0.57 0.00 0.00 31.44 30.40 1t44 n GLU 93 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1t44 h LEU 94 N -1.00 0.00 -2.63 -4.62 3.38 -1.09 -3.48 115.31 105.87 1t44 h LEU 94 Ca -0.35 0.00 -0.42 0.00 0.09 0.00 0.00 57.88 57.20 1t44 h LEU 94 Cb 1.23 0.00 0.07 0.00 0.09 0.00 0.00 40.66 42.05 1t44 h LEU 94 CO -0.21 0.10 -0.90 0.54 0.09 0.00 0.00 178.44 178.05 1t44 n ARG 95 N -2.93 -2.44 -4.48 1.13 1.74 -0.23 -4.99 116.66 104.46 1t44 n ARG 95 Ca 0.01 0.52 -0.23 0.00 -0.77 0.00 0.00 57.85 57.39 1t44 n ARG 95 Cb 0.58 -4.59 -0.10 0.00 -1.02 0.00 0.00 32.46 27.33 1t44 n ARG 95 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1t44 s VAL 96 N -3.58 1.73 -0.38 1.55 -7.23 -0.30 -5.01 120.40 107.20 1t44 s VAL 96 Ca 0.30 -2.11 -0.17 0.00 -1.81 0.00 0.00 61.98 58.19 1t44 s VAL 96 Cb -0.10 -2.60 0.00 0.00 0.56 0.00 0.00 36.38 34.25 1t44 s VAL 96 CO 0.84 -0.20 0.45 0.00 -0.31 0.00 0.00 175.10 175.88 1t44 s ALA 97 N -2.94 3.46 0.49 1.32 0.00 -1.26 -4.43 121.76 118.40 1t44 s ALA 97 Ca 0.32 -1.24 0.14 0.00 0.00 0.00 0.00 51.96 51.18 1t44 s ALA 97 Cb 0.05 -2.99 1.17 0.00 0.00 0.00 0.00 23.12 21.35 1t44 s ALA 97 CO 0.14 -1.33 2.13 -1.35 0.00 0.00 0.00 175.76 175.34 1t44 h PRO 98 N 8.58 0.13 0.00 0.00 0.11 -1.92 -1.72 132.00 137.17 1t44 h PRO 98 Ca -0.28 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1t44 h PRO 98 Cb 1.12 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1t44 h PRO 98 CO 0.77 0.09 0.12 1.05 -0.21 0.00 0.00 178.00 179.81 1t44 h GLU 99 N 0.13 0.00 -0.00 1.05 9.09 -1.70 -2.40 114.58 120.75 1t44 h GLU 99 Ca 0.04 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.45 1t44 h GLU 99 Cb -0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 1t44 h GLU 99 CO -0.01 0.00 -0.82 -1.91 0.05 0.00 0.00 179.01 176.32 1t44 n GLU 100 N -2.39 0.06 -4.13 1.06 4.07 -0.65 -4.11 120.64 114.55 1t44 n GLU 100 Ca -0.02 -0.05 -0.25 0.00 -0.06 0.00 0.00 57.16 56.79 1t44 n GLU 100 Cb 0.16 -1.50 -0.17 0.00 -0.06 0.00 0.00 31.44 29.87 1t44 n GLU 100 CO 0.00 0.00 0.00 -1.01 -0.06 0.00 0.00 177.13 176.06 1t44 s HIS 101 N -2.97 1.30 0.37 4.31 3.76 -0.90 -4.64 115.29 116.51 1t44 s HIS 101 Ca 0.10 -0.55 -0.28 0.00 -0.15 0.00 0.00 55.06 54.18 1t44 s HIS 101 Cb 0.17 -1.06 -0.11 0.00 1.11 0.00 0.00 32.58 32.68 1t44 s HIS 101 CO 0.80 -0.38 1.36 -2.30 -0.85 0.00 0.00 174.74 173.37 1t44 n PRO 102 N 4.49 2.29 -4.08 8.40 -0.02 -1.26 -4.38 135.00 140.45 1t44 n PRO 102 Ca -0.17 0.81 -0.27 0.00 -2.02 0.00 0.00 63.50 61.84 1t44 n PRO 102 Cb 0.51 -2.46 -0.17 0.00 -0.02 0.00 0.00 33.50 31.36 1t44 n PRO 102 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1t44 s THR 103 N -1.12 1.18 -0.25 3.45 2.01 -0.47 -0.90 115.64 119.55 1t44 s THR 103 Ca 0.55 -0.41 -0.12 0.00 0.31 0.00 0.00 61.69 62.02 1t44 s THR 103 Cb -0.53 -1.15 -0.05 0.00 0.01 0.00 0.00 72.50 70.79 1t44 s THR 103 CO 0.62 0.39 0.23 -0.22 -0.69 0.00 0.00 174.62 174.95 1t44 s LEU 104 N 1.44 4.08 0.28 4.42 0.20 0.01 -2.13 118.68 126.98 1t44 s LEU 104 Ca 0.01 0.15 0.09 0.00 0.69 0.00 0.00 54.13 55.07 1t44 s LEU 104 Cb -0.13 -2.20 -0.04 0.00 -0.43 0.00 0.00 46.19 43.38 1t44 s LEU 104 CO -0.06 -0.02 0.05 -0.76 -0.29 0.00 0.00 176.35 175.26 1t44 s LEU 105 N 1.46 3.29 0.27 -0.68 1.43 -0.26 -1.13 118.68 123.05 1t44 s LEU 105 Ca 0.10 -0.62 0.09 0.00 -1.03 0.00 0.00 54.13 52.67 1t44 s LEU 105 Cb -0.15 -1.80 -0.04 0.00 0.03 0.00 0.00 46.19 44.23 1t44 s LEU 105 CO 0.08 -0.06 0.01 0.42 0.23 0.00 0.00 176.35 177.03 1t44 s THR 106 N -2.32 3.45 0.05 5.49 -4.23 -1.14 -1.47 115.64 115.47 1t44 s THR 106 Ca 0.33 -1.88 -0.04 0.00 -1.18 0.00 0.00 61.69 58.91 1t44 s THR 106 Cb -0.06 -2.87 -0.02 0.00 1.34 0.00 0.00 72.50 70.89 1t44 s THR 106 CO 0.21 -0.36 0.06 -1.83 -0.54 0.00 0.00 174.62 172.16 1t44 s GLU 107 N -3.69 0.64 0.65 3.99 -1.05 -0.15 -4.69 118.70 114.40 1t44 s GLU 107 Ca 0.32 -0.97 -0.16 0.00 -0.15 0.00 0.00 54.97 54.01 1t44 s GLU 107 Cb -0.06 0.24 -0.00 0.00 -0.44 0.00 0.00 34.13 33.87 1t44 s GLU 107 CO 0.20 -0.16 1.13 0.00 0.95 0.00 0.00 175.26 177.39 1t44 s ALA 108 N -3.35 2.44 0.33 -0.84 0.00 -1.26 -1.43 121.76 117.66 1t44 s ALA 108 Ca 0.01 0.67 -0.29 0.00 0.00 0.00 0.00 51.96 52.35 1t44 s ALA 108 Cb 0.03 -3.36 -0.12 0.00 0.00 0.00 0.00 23.12 19.68 1t44 s ALA 108 CO -0.08 -1.30 1.51 -2.30 0.00 0.00 0.00 175.76 173.59 1t44 n PRO 109 N -2.27 2.60 -1.88 0.00 -0.02 -1.26 -2.79 135.00 129.38 1t44 n PRO 109 Ca 0.11 0.92 -0.15 0.00 -2.02 0.00 0.00 63.50 62.35 1t44 n PRO 109 Cb 0.51 -2.65 -0.04 0.00 -0.02 0.00 0.00 33.50 31.31 1t44 n PRO 109 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1t44 n LEU 110 N 1.26 -1.42 -4.72 2.45 4.77 -1.26 -4.97 117.00 113.11 1t44 n LEU 110 Ca 0.05 0.18 -0.43 0.00 -0.03 0.00 0.00 56.01 55.78 1t44 n LEU 110 Cb 0.37 -2.27 -0.03 0.00 -2.33 0.00 0.00 43.42 39.16 1t44 n LEU 110 CO 0.64 -0.48 1.31 -3.20 -1.33 0.00 0.00 177.39 174.34 1t44 n ASN 111 N -0.72 3.83 -4.65 -1.43 5.15 -1.12 -4.90 115.26 111.42 1t44 n ASN 111 Ca -0.17 1.08 -0.43 0.00 -0.60 0.00 0.00 54.58 54.47 1t44 n ASN 111 Cb 0.57 -1.56 -0.00 0.00 -0.53 0.00 0.00 39.78 38.26 1t44 n ASN 111 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 1t44 n PRO 112 N 3.46 1.76 -0.31 1.20 -0.02 -1.26 -4.86 135.00 134.97 1t44 n PRO 112 Ca 0.14 0.62 0.04 0.00 -2.02 0.00 0.00 63.50 62.28 1t44 n PRO 112 Cb 0.34 -2.16 0.19 0.00 -0.02 0.00 0.00 33.50 31.86 1t44 n PRO 112 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1t44 h LYS 113 N 2.16 0.84 -0.26 -0.52 1.79 -2.01 -1.14 116.57 117.43 1t44 h LYS 113 Ca -0.44 -0.05 -0.03 0.00 -2.18 0.00 0.00 60.65 57.95 1t44 h LYS 113 Cb 1.31 -0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 31.76 1t44 h LYS 113 CO 0.61 0.55 0.02 0.00 -1.08 0.00 0.00 179.45 179.55 1t44 h ALA 114 N 1.48 1.56 -0.37 3.86 0.00 -2.00 -2.50 119.26 121.29 1t44 h ALA 114 Ca 0.43 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 55.09 1t44 h ALA 114 Cb 0.39 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1t44 h ALA 114 CO -0.25 0.32 -0.22 -0.91 0.00 0.00 0.00 179.25 178.19 1t44 h ASN 115 N 0.37 0.73 -0.29 0.00 4.21 -1.57 -1.44 115.58 117.60 1t44 h ASN 115 Ca 0.09 -0.26 -0.10 0.00 1.21 0.00 0.00 56.30 57.24 1t44 h ASN 115 Cb 0.22 -0.20 -0.02 0.00 -1.12 0.00 0.00 38.32 37.20 1t44 h ASN 115 CO 0.00 0.94 -0.15 0.03 -1.29 0.00 0.00 177.43 176.96 1t44 h ARG 116 N 0.63 0.73 -0.39 0.81 3.08 -1.19 -1.99 114.38 116.06 1t44 h ARG 116 Ca 0.09 -0.26 -0.15 0.00 0.07 0.00 0.00 59.98 59.74 1t44 h ARG 116 Cb 0.72 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.71 1t44 h ARG 116 CO 0.06 0.84 -0.33 0.93 -1.07 0.00 0.00 179.97 180.40 1t44 h GLU 117 N 0.65 0.91 -0.55 0.04 5.08 -1.27 -2.76 114.58 116.68 1t44 h GLU 117 Ca 0.11 -0.46 -0.02 0.00 -1.00 0.00 0.00 59.36 57.99 1t44 h GLU 117 Cb 0.63 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.86 1t44 h GLU 117 CO 0.04 1.11 0.27 -0.22 -1.00 0.00 0.00 179.01 179.21 1t44 h LYS 118 N 0.73 0.79 -0.22 2.33 3.11 -1.09 -1.07 116.57 121.16 1t44 h LYS 118 Ca 0.07 -0.12 0.00 0.00 -2.81 0.00 0.00 60.65 57.80 1t44 h LYS 118 Cb 0.92 -0.14 -0.01 0.00 -1.00 0.00 0.00 32.23 31.99 1t44 h LYS 118 CO 0.08 0.65 0.14 1.98 -2.81 0.00 0.00 179.45 179.49 1t44 h MET 119 N 0.74 0.29 -0.31 1.90 4.05 -1.35 -0.48 114.93 119.77 1t44 h MET 119 Ca 0.19 -0.02 0.03 0.00 -0.28 0.00 0.00 59.70 59.62 1t44 h MET 119 Cb 0.12 -0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 30.82 1t44 h MET 119 CO -0.02 0.20 0.11 1.15 0.23 0.00 0.00 176.91 178.57 1t44 h THR 120 N 0.29 0.92 -0.51 -0.77 2.02 -1.34 -1.73 112.91 111.80 1t44 h THR 120 Ca 0.08 -0.09 -0.02 0.00 0.77 0.00 0.00 66.41 67.15 1t44 h THR 120 Cb -0.03 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.01 1t44 h THR 120 CO -0.02 0.05 0.23 -0.61 0.37 0.00 0.00 175.52 175.54 1t44 h GLN 121 N 0.25 0.74 -0.44 6.66 4.15 -0.85 -2.45 115.11 123.17 1t44 h GLN 121 Ca 0.14 -0.12 -0.07 0.00 0.77 0.00 0.00 58.65 59.38 1t44 h GLN 121 Cb 0.11 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.65 1t44 h GLN 121 CO -0.14 0.63 0.01 0.82 -1.93 0.00 0.00 178.83 178.22 1t44 h ILE 122 N 0.67 1.26 -0.50 2.39 2.04 -0.96 0.27 117.51 122.68 1t44 h ILE 122 Ca 0.17 -1.02 0.05 0.00 1.00 0.00 0.00 64.86 65.06 1t44 h ILE 122 Cb 0.14 1.04 -0.05 0.00 -0.74 0.00 0.00 36.82 37.22 1t44 h ILE 122 CO -0.02 0.35 0.24 0.24 0.00 0.00 0.00 178.15 178.96 1t44 h MET 123 N 0.62 0.45 0.23 2.37 2.86 -1.12 -0.32 114.93 120.02 1t44 h MET 123 Ca 0.13 -0.03 -0.34 0.00 -2.06 0.00 0.00 59.70 57.40 1t44 h MET 123 Cb 0.48 -0.10 0.03 0.00 0.06 0.00 0.00 31.60 32.06 1t44 h MET 123 CO 0.02 0.30 -1.55 0.74 1.06 0.00 0.00 176.91 177.48 1t44 h PHE 124 N 0.47 0.89 0.07 -0.22 0.04 -1.39 -1.95 116.94 114.85 1t44 h PHE 124 Ca 0.22 -0.65 -0.35 0.00 2.80 0.00 0.00 57.97 60.00 1t44 h PHE 124 Cb 0.15 -0.04 -0.03 0.00 2.20 0.00 0.00 35.95 38.23 1t44 h PHE 124 CO -0.11 1.58 -1.97 0.39 -0.60 0.00 0.00 178.31 177.60 1t44 n GLU 125 N -3.67 0.71 -0.08 1.51 1.02 0.08 -2.65 120.64 117.56 1t44 n GLU 125 Ca -0.19 0.25 -0.15 0.00 -0.02 0.00 0.00 57.16 57.06 1t44 n GLU 125 Cb 1.10 -1.71 -0.11 0.00 -0.02 0.00 0.00 31.44 30.70 1t44 n GLU 125 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 1t44 h THR 126 N 0.04 1.24 -0.01 2.62 2.02 -1.20 -3.41 112.91 114.22 1t44 h THR 126 Ca -0.40 -2.08 0.00 0.00 0.77 0.00 0.00 66.41 64.69 1t44 h THR 126 Cb 2.03 2.50 0.00 0.00 -1.74 0.00 0.00 68.15 70.94 1t44 h THR 126 CO 0.07 0.42 -0.64 0.49 0.37 0.00 0.00 175.52 176.23 1t44 n PHE 127 N -4.57 0.00 -3.93 3.16 3.01 -1.04 -4.99 117.46 109.10 1t44 n PHE 127 Ca -0.16 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 57.99 1t44 n PHE 127 Cb 0.48 -0.05 0.02 0.00 -0.01 0.00 0.00 39.48 39.92 1t44 n PHE 127 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1t44 n ASN 128 N -0.83 -4.66 -4.73 4.37 4.05 -0.77 -3.78 115.26 108.90 1t44 n ASN 128 Ca 0.07 -0.79 -0.38 0.00 0.45 0.00 0.00 54.58 53.94 1t44 n ASN 128 Cb 0.39 -3.73 0.06 0.00 1.23 0.00 0.00 39.78 37.73 1t44 n ASN 128 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 177.26 175.54 1t44 n VAL 129 N -4.63 4.52 0.21 3.44 0.24 -0.96 -4.06 118.33 117.09 1t44 n VAL 129 Ca 0.05 -0.50 0.10 0.00 -2.04 0.00 0.00 64.34 61.95 1t44 n VAL 129 Cb 0.52 -1.55 0.31 0.00 -1.47 0.00 0.00 33.84 31.65 1t44 n VAL 129 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 1t44 h PRO 130 N 0.87 0.00 -1.88 7.34 0.13 -1.76 -3.43 132.00 133.27 1t44 h PRO 130 Ca -0.51 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.67 1t44 h PRO 130 Cb 1.33 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.26 1t44 h PRO 130 CO 0.54 0.18 0.44 0.00 -0.23 0.00 0.00 178.00 178.93 1t44 s ALA 131 N -3.36 -1.86 0.12 -0.56 0.00 -1.26 -1.60 121.76 113.24 1t44 s ALA 131 Ca 0.03 1.35 -0.17 0.00 0.00 0.00 0.00 51.96 53.18 1t44 s ALA 131 Cb 0.08 -0.23 0.04 0.00 0.00 0.00 0.00 23.12 23.00 1t44 s ALA 131 CO 0.65 -0.43 0.41 0.00 0.00 0.00 0.00 175.76 176.40 1t44 s MET 132 N -1.69 1.07 -0.02 0.00 0.23 -0.03 -1.37 119.30 117.50 1t44 s MET 132 Ca -0.02 -0.66 -0.18 0.00 -1.03 0.00 0.00 55.69 53.79 1t44 s MET 132 Cb -0.00 0.47 0.03 0.00 -1.53 0.00 0.00 34.83 33.80 1t44 s MET 132 CO 0.01 -0.42 0.39 -0.47 -2.03 0.00 0.00 175.02 172.50 1t44 s TYR 133 N -3.69 -0.28 -0.09 3.16 6.14 -0.90 -0.76 117.35 120.93 1t44 s TYR 133 Ca 0.02 0.43 0.03 0.00 0.64 0.00 0.00 57.07 58.19 1t44 s TYR 133 Cb 0.01 0.16 0.01 0.00 0.42 0.00 0.00 41.96 42.57 1t44 s TYR 133 CO -0.11 -0.44 -0.18 0.08 0.64 0.00 0.00 175.55 175.53 1t44 s VAL 134 N -1.37 1.61 0.14 3.14 1.01 -1.26 -1.10 120.40 122.58 1t44 s VAL 134 Ca -0.13 -0.75 0.10 0.00 0.00 0.00 0.00 61.98 61.20 1t44 s VAL 134 Cb -0.04 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.88 1t44 s VAL 134 CO 0.05 0.46 -0.22 0.00 0.00 0.00 0.00 175.10 175.39 1t44 s ALA 135 N 0.56 2.15 0.01 5.51 0.00 -0.54 -4.73 121.76 124.72 1t44 s ALA 135 Ca -0.15 -1.44 -0.30 0.00 0.00 0.00 0.00 51.96 50.06 1t44 s ALA 135 Cb -0.17 -0.28 -0.05 0.00 0.00 0.00 0.00 23.12 22.62 1t44 s ALA 135 CO 0.05 0.39 1.18 0.42 0.00 0.00 0.00 175.76 177.81 1t44 s ILE 136 N -1.44 4.19 0.14 0.00 1.01 -1.26 -0.98 121.20 122.86 1t44 s ILE 136 Ca 0.13 1.55 -0.21 0.00 0.00 0.00 0.00 60.65 62.13 1t44 s ILE 136 Cb -0.09 -4.00 0.01 0.00 0.01 0.00 0.00 42.46 38.40 1t44 s ILE 136 CO 0.06 0.08 1.66 1.56 0.00 0.00 0.00 174.94 178.30 1t44 h GLN 137 N 7.05 -0.15 -0.84 2.79 4.20 -1.57 -2.27 115.11 124.31 1t44 h GLN 137 Ca -0.39 0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.33 1t44 h GLN 137 Cb 1.20 0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.97 1t44 h GLN 137 CO 0.83 -0.10 0.52 0.00 -0.67 0.00 0.00 178.83 179.41 1t44 h ALA 138 N 0.97 1.33 -0.43 3.87 0.00 -1.93 -1.96 119.26 121.11 1t44 h ALA 138 Ca 0.12 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1t44 h ALA 138 Cb 0.34 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1t44 h ALA 138 CO -0.30 0.59 -0.05 0.28 0.00 0.00 0.00 179.25 179.77 1t44 h VAL 139 N 1.16 1.27 -1.00 0.00 2.07 -1.85 -1.97 116.25 115.92 1t44 h VAL 139 Ca 0.31 -1.12 0.11 0.00 0.82 0.00 0.00 66.70 66.81 1t44 h VAL 139 Cb -0.07 1.12 -0.08 0.00 -1.52 0.00 0.00 31.29 30.73 1t44 h VAL 139 CO -0.06 0.38 0.63 -0.07 0.02 0.00 0.00 177.57 178.48 1t44 h LEU 140 N 0.63 0.94 -0.86 2.57 3.38 -0.85 -1.84 115.31 119.28 1t44 h LEU 140 Ca 0.12 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.07 1t44 h LEU 140 Cb 0.56 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.13 1t44 h LEU 140 CO 0.03 0.52 0.15 0.28 0.09 0.00 0.00 178.44 179.52 1t44 h SER 141 N 1.02 0.94 -0.34 -0.43 0.02 -0.83 -1.20 113.55 112.73 1t44 h SER 141 Ca 0.48 -0.19 -0.05 0.00 -0.84 0.00 0.00 61.79 61.20 1t44 h SER 141 Cb 0.44 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 1t44 h SER 141 CO -0.25 0.91 0.03 0.25 -1.14 0.00 0.00 176.83 176.63 1t44 h LEU 142 N 0.95 0.56 -0.87 5.07 5.85 -0.67 -2.71 115.31 123.50 1t44 h LEU 142 Ca 0.20 -0.29 0.04 0.00 0.84 0.00 0.00 57.88 58.68 1t44 h LEU 142 Cb 0.34 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.16 1t44 h LEU 142 CO 0.00 0.71 0.55 1.88 -0.34 0.00 0.00 178.44 181.24 1t44 h TYR 143 N 0.40 1.03 -0.01 1.25 0.99 -1.12 -1.81 116.97 117.70 1t44 h TYR 143 Ca 0.10 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.86 1t44 h TYR 143 Cb 0.41 -0.34 -0.00 0.00 1.00 0.00 0.00 36.73 37.80 1t44 h TYR 143 CO 0.03 0.57 0.01 0.00 -0.00 0.00 0.00 178.16 178.77 1t44 h ALA 144 N 1.38 1.93 -0.05 3.88 0.00 -1.00 -0.52 119.26 124.86 1t44 h ALA 144 Ca 0.36 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1t44 h ALA 144 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1t44 h ALA 144 CO -0.14 -0.01 0.00 -1.13 0.00 0.00 0.00 179.25 177.98 1t44 n SER 145 N -4.42 0.57 -2.06 0.00 3.41 -0.69 -4.93 113.62 105.50 1t44 n SER 145 Ca -0.03 -1.51 -0.13 0.00 -0.26 0.00 0.00 58.87 56.95 1t44 n SER 145 Cb 0.10 -0.03 0.04 0.00 -0.26 0.00 0.00 64.21 64.05 1t44 n SER 145 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1t44 n GLY 146 N 0.91 0.11 3.12 5.00 0.00 -0.20 -5.06 105.19 109.07 1t44 n GLY 146 Ca 0.15 -0.20 -0.16 0.00 0.00 0.00 0.00 46.02 45.81 1t44 n GLY 146 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1t44 s ARG 147 N -5.56 0.68 -0.01 1.61 0.52 -1.13 -5.04 118.95 110.02 1t44 s ARG 147 Ca 0.28 -0.86 0.13 0.00 -0.52 0.00 0.00 55.73 54.75 1t44 s ARG 147 Cb -0.12 -0.56 -0.17 0.00 0.52 0.00 0.00 34.95 34.61 1t44 s ARG 147 CO 0.34 0.12 0.41 0.25 0.02 0.00 0.00 175.30 176.44 1t44 n THR 148 N 1.35 0.00 -4.40 0.02 -2.24 -1.26 -3.81 114.28 103.94 1t44 n THR 148 Ca -0.22 -0.25 -0.20 0.00 -2.27 0.00 0.00 64.05 61.11 1t44 n THR 148 Cb 0.54 0.59 -0.15 0.00 -2.10 0.00 0.00 70.33 69.21 1t44 n THR 148 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1t44 s THR 149 N -2.57 0.79 0.00 4.28 2.01 -1.26 -0.95 115.64 117.94 1t44 s THR 149 Ca -0.00 -0.38 0.00 0.00 0.31 0.00 0.00 61.69 61.62 1t44 s THR 149 Cb 0.09 -0.69 0.00 0.00 0.01 0.00 0.00 72.50 71.91 1t44 s THR 149 CO 0.54 0.24 0.00 0.61 -0.69 0.00 0.00 174.62 175.32 1t44 n GLY 150 N 3.19 -0.44 3.12 4.40 0.00 -0.52 -4.89 105.19 110.05 1t44 n GLY 150 Ca -0.17 -1.26 -0.31 0.00 0.00 0.00 0.00 46.02 44.27 1t44 n GLY 150 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1t44 s ILE 151 N -2.00 1.86 -0.12 -0.61 2.07 -0.33 -0.40 121.20 121.67 1t44 s ILE 151 Ca 0.00 -0.85 -0.13 0.00 -1.41 0.00 0.00 60.65 58.26 1t44 s ILE 151 Cb 0.00 -1.67 -0.05 0.00 0.13 0.00 0.00 42.46 40.88 1t44 s ILE 151 CO 0.00 0.51 0.30 -0.69 -1.91 0.00 0.00 174.94 173.15 1t44 s VAL 152 N 0.96 5.27 -0.40 4.00 1.01 -0.63 -1.13 120.40 129.49 1t44 s VAL 152 Ca -0.05 0.58 -0.12 0.00 0.00 0.00 0.00 61.98 62.39 1t44 s VAL 152 Cb -0.15 -3.62 0.04 0.00 0.00 0.00 0.00 36.38 32.65 1t44 s VAL 152 CO -0.04 0.46 0.25 -0.22 0.00 0.00 0.00 175.10 175.55 1t44 s LEU 153 N -0.08 4.95 -0.27 3.92 2.96 0.37 -0.97 118.68 129.56 1t44 s LEU 153 Ca 0.18 -1.09 -0.04 0.00 -0.22 0.00 0.00 54.13 52.96 1t44 s LEU 153 Cb -0.14 -2.06 0.01 0.00 0.50 0.00 0.00 46.19 44.51 1t44 s LEU 153 CO 0.06 -0.45 0.01 -0.62 -1.32 0.00 0.00 176.35 174.03 1t44 s ASP 154 N 1.76 4.71 -0.12 3.68 3.68 -0.61 -0.22 116.67 129.55 1t44 s ASP 154 Ca 0.03 -0.73 -0.02 0.00 2.13 0.00 0.00 52.55 53.96 1t44 s ASP 154 Cb -0.20 -1.78 0.04 0.00 -1.45 0.00 0.00 42.92 39.53 1t44 s ASP 154 CO 0.07 -0.14 0.01 -0.55 0.13 0.00 0.00 175.17 174.68 1t44 s SER 155 N 1.43 2.07 0.00 -0.34 0.15 -0.45 -0.74 113.70 115.83 1t44 s SER 155 Ca 0.02 -0.34 0.00 0.00 0.70 0.00 0.00 55.95 56.33 1t44 s SER 155 Cb -0.17 -0.53 0.00 0.00 -1.71 0.00 0.00 66.02 63.61 1t44 s SER 155 CO -0.01 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.82 1t44 n GLY 156 N 5.10 3.72 0.11 9.45 0.00 -0.92 -1.69 105.19 120.95 1t44 n GLY 156 Ca -0.08 -1.67 -0.00 0.00 0.00 0.00 0.00 46.02 44.27 1t44 n GLY 156 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1t44 h ASP 157 N 0.00 0.00 0.00 1.61 3.58 -1.94 0.30 116.42 119.97 1t44 h ASP 157 Ca 0.00 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.37 1t44 h ASP 157 Cb 0.00 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 1t44 h ASP 157 CO 0.00 0.60 -1.30 0.61 -2.88 0.00 0.00 179.24 176.27 1t44 n GLY 158 N 1.34 -0.22 3.34 -0.78 0.00 -1.26 -0.17 105.19 107.45 1t44 n GLY 158 Ca -0.05 -0.08 -0.14 0.00 0.00 0.00 0.00 46.02 45.75 1t44 n GLY 158 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1t44 s VAL 159 N -2.12 0.04 -0.05 1.61 0.11 -1.26 -4.30 120.40 114.44 1t44 s VAL 159 Ca -0.02 -0.34 0.06 0.00 -2.93 0.00 0.00 61.98 58.74 1t44 s VAL 159 Cb 0.01 -0.85 -0.01 0.00 -1.53 0.00 0.00 36.38 34.01 1t44 s VAL 159 CO 0.18 -0.19 -0.23 -0.89 -3.33 0.00 0.00 175.10 170.64 1t44 s THR 160 N -1.79 1.89 0.05 5.04 2.01 -0.23 -2.17 115.64 120.43 1t44 s THR 160 Ca -0.09 -0.98 0.05 0.00 0.31 0.00 0.00 61.69 60.98 1t44 s THR 160 Cb -0.02 -1.60 -0.02 0.00 0.01 0.00 0.00 72.50 70.87 1t44 s THR 160 CO 0.03 0.53 -0.15 -1.00 -0.69 0.00 0.00 174.62 173.34 1t44 s HIS 161 N -0.18 1.29 -0.26 4.92 3.76 0.09 -0.07 115.29 124.84 1t44 s HIS 161 Ca -0.02 -0.37 -0.09 0.00 -0.15 0.00 0.00 55.06 54.43 1t44 s HIS 161 Cb -0.13 -0.76 -0.04 0.00 1.11 0.00 0.00 32.58 32.77 1t44 s HIS 161 CO 0.03 0.05 0.13 -0.80 -0.85 0.00 0.00 174.74 173.29 1t44 s ASN 162 N -1.25 5.59 -0.33 1.40 -0.87 -0.45 -1.57 114.94 117.47 1t44 s ASN 162 Ca 0.02 -0.09 0.03 0.00 -1.57 0.00 0.00 52.86 51.24 1t44 s ASN 162 Cb -0.08 -2.02 0.10 0.00 -0.02 0.00 0.00 41.25 39.23 1t44 s ASN 162 CO 0.02 -0.03 0.06 -0.69 -2.57 0.00 0.00 177.10 173.89 1t44 s VAL 163 N 1.61 1.90 0.23 1.60 1.01 -0.14 -1.74 120.40 124.87 1t44 s VAL 163 Ca 0.07 -2.08 -0.30 0.00 0.00 0.00 0.00 61.98 59.66 1t44 s VAL 163 Cb -0.15 -2.41 -0.09 0.00 0.00 0.00 0.00 36.38 33.73 1t44 s VAL 163 CO 0.07 -0.61 0.99 -2.16 0.00 0.00 0.00 175.10 173.38 1t44 s PRO 164 N 1.10 4.78 -0.02 2.72 0.04 -1.26 -1.60 135.00 140.76 1t44 s PRO 164 Ca 0.10 1.57 0.01 0.00 0.04 0.00 0.00 61.00 62.73 1t44 s PRO 164 Cb -0.19 -3.27 0.01 0.00 0.04 0.00 0.00 34.50 31.10 1t44 s PRO 164 CO -0.13 0.40 -0.04 0.42 0.04 0.00 0.00 177.00 177.69 1t44 s ILE 165 N -1.02 0.42 -0.08 0.56 1.01 0.47 -1.18 121.20 121.38 1t44 s ILE 165 Ca 0.43 -0.14 0.00 0.00 0.00 0.00 0.00 60.65 60.94 1t44 s ILE 165 Cb -0.27 -0.41 0.02 0.00 0.01 0.00 0.00 42.46 41.81 1t44 s ILE 165 CO 0.34 0.16 -0.06 -0.47 0.00 0.00 0.00 174.94 174.91 1t44 s TYR 166 N 0.44 1.17 -1.57 3.97 6.14 -0.29 -1.44 117.35 125.77 1t44 s TYR 166 Ca -0.05 -0.49 -0.14 0.00 0.64 0.00 0.00 57.07 57.03 1t44 s TYR 166 Cb -0.09 -1.01 0.10 0.00 0.42 0.00 0.00 41.96 41.39 1t44 s TYR 166 CO -0.00 -0.37 0.87 0.39 0.64 0.00 0.00 175.55 177.07 1t44 n GLU 167 N 4.62 -4.54 0.00 4.97 1.02 -0.93 -2.25 120.64 123.53 1t44 n GLU 167 Ca -0.15 0.51 0.00 0.00 -0.02 0.00 0.00 57.16 57.49 1t44 n GLU 167 Cb 0.50 -5.28 0.00 0.00 -0.02 0.00 0.00 31.44 26.65 1t44 n GLU 167 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1t44 n GLY 168 N -1.60 0.20 3.02 0.62 0.00 -0.12 -5.02 105.19 102.28 1t44 n GLY 168 Ca 0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 1t44 n GLY 168 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1t44 s TYR 169 N -2.02 1.09 0.59 1.61 1.51 -0.95 -5.06 117.35 114.11 1t44 s TYR 169 Ca 0.00 -0.30 -0.20 0.00 -1.01 0.00 0.00 57.07 55.56 1t44 s TYR 169 Cb 0.00 -0.78 -0.03 0.00 -0.11 0.00 0.00 41.96 41.04 1t44 s TYR 169 CO 0.00 -0.13 1.33 0.00 -1.11 0.00 0.00 175.55 175.64 1t44 s ALA 170 N 0.25 2.62 -0.66 3.71 0.00 -1.26 -1.14 121.76 125.28 1t44 s ALA 170 Ca -0.05 1.28 -0.15 0.00 0.00 0.00 0.00 51.96 53.04 1t44 s ALA 170 Cb -0.10 -3.56 0.17 0.00 0.00 0.00 0.00 23.12 19.63 1t44 s ALA 170 CO 0.01 -1.47 0.61 -0.51 0.00 0.00 0.00 175.76 174.40 1t44 s LEU 171 N -3.90 6.41 0.23 0.00 1.43 -0.32 -4.87 118.68 117.65 1t44 s LEU 171 Ca 0.77 -2.19 -0.07 0.00 -1.03 0.00 0.00 54.13 51.60 1t44 s LEU 171 Cb -0.39 -2.20 0.29 0.00 0.03 0.00 0.00 46.19 43.92 1t44 s LEU 171 CO 0.44 -0.73 1.83 -0.65 0.23 0.00 0.00 176.35 177.48 1t44 h PRO 172 N 8.38 0.83 -0.07 1.29 0.11 -1.94 -1.96 132.00 138.65 1t44 h PRO 172 Ca -0.12 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 65.96 1t44 h PRO 172 Cb 1.07 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 31.99 1t44 h PRO 172 CO 0.91 0.55 0.07 1.12 -0.21 0.00 0.00 178.00 180.44 1t44 h HIS 173 N 0.86 0.00 -0.02 0.65 2.07 -1.98 -2.60 115.15 114.13 1t44 h HIS 173 Ca 0.34 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.86 1t44 h HIS 173 Cb 0.17 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.15 1t44 h HIS 173 CO -0.05 0.00 -0.32 0.00 -3.07 0.00 0.00 177.93 174.49 1t44 n ALA 174 N -2.38 3.21 -1.96 6.11 0.00 -0.74 -4.97 120.51 119.78 1t44 n ALA 174 Ca -0.01 -0.57 -0.41 0.00 0.00 0.00 0.00 53.44 52.44 1t44 n ALA 174 Cb 0.17 -0.91 -0.03 0.00 0.00 0.00 0.00 19.45 18.68 1t44 n ALA 174 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1t44 s ILE 175 N -2.38 2.92 -0.09 0.00 1.01 -0.98 -4.62 121.20 117.05 1t44 s ILE 175 Ca 0.23 0.74 0.01 0.00 0.00 0.00 0.00 60.65 61.62 1t44 s ILE 175 Cb 0.19 -3.47 -0.02 0.00 0.01 0.00 0.00 42.46 39.16 1t44 s ILE 175 CO 0.50 0.10 -0.10 -0.04 0.00 0.00 0.00 174.94 175.41 1t44 s MET 176 N 0.05 2.98 -0.12 2.79 -1.94 -0.71 -4.99 119.30 117.36 1t44 s MET 176 Ca 0.60 -0.62 0.01 0.00 -1.71 0.00 0.00 55.69 53.97 1t44 s MET 176 Cb -0.40 -2.59 -0.01 0.00 2.01 0.00 0.00 34.83 33.84 1t44 s MET 176 CO 0.39 0.48 -0.15 0.50 -0.01 0.00 0.00 175.02 176.23 1t44 s ARG 177 N -0.32 3.28 -0.14 2.03 3.52 -1.26 -1.34 118.95 124.72 1t44 s ARG 177 Ca 0.04 -0.72 0.01 0.00 -0.13 0.00 0.00 55.73 54.93 1t44 s ARG 177 Cb -0.13 -2.56 0.02 0.00 -1.56 0.00 0.00 34.95 30.72 1t44 s ARG 177 CO 0.02 0.24 -0.15 -1.17 -0.81 0.00 0.00 175.30 173.43 1t44 s LEU 178 N 0.27 1.74 -1.37 -0.88 0.20 0.90 -5.01 118.68 114.53 1t44 s LEU 178 Ca -0.11 -0.48 -0.08 0.00 0.69 0.00 0.00 54.13 54.15 1t44 s LEU 178 Cb -0.16 -1.18 0.09 0.00 -0.43 0.00 0.00 46.19 44.51 1t44 s LEU 178 CO 0.06 -0.02 2.34 0.47 -0.29 0.00 0.00 176.35 178.90 1t44 n ASP 179 N 4.55 7.08 -3.52 3.68 10.43 -1.26 -1.07 116.55 136.45 1t44 n ASP 179 Ca -0.18 -3.02 -0.17 0.00 2.57 0.00 0.00 54.79 53.99 1t44 n ASP 179 Cb 0.50 -1.45 -0.13 0.00 1.84 0.00 0.00 41.12 41.89 1t44 n ASP 179 CO 0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 177.20 175.91 1t44 s LEU 180 N -0.91 -0.15 0.00 0.64 2.96 -1.26 -5.03 118.68 114.93 1t44 s LEU 180 Ca 0.52 -0.08 0.00 0.00 -0.22 0.00 0.00 54.13 54.35 1t44 s LEU 180 Cb 0.16 0.44 0.00 0.00 0.50 0.00 0.00 46.19 47.29 1t44 s LEU 180 CO -0.06 -0.31 0.00 0.00 -1.32 0.00 0.00 176.35 174.66 1t44 n ALA 181 N 5.32 0.00 -0.26 5.97 0.00 -1.26 -4.14 120.51 126.15 1t44 n ALA 181 Ca -0.05 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.39 1t44 n ALA 181 Cb 0.50 0.00 0.13 0.00 0.00 0.00 0.00 19.45 20.08 1t44 n ALA 181 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1t44 h GLY 182 N 0.00 1.12 1.02 0.00 0.00 -0.76 -1.83 103.07 102.63 1t44 h GLY 182 Ca 0.00 -0.28 -0.03 0.00 0.00 0.00 0.00 47.33 47.02 1t44 h GLY 182 CO 0.00 0.14 0.33 -0.09 0.00 0.00 0.00 176.54 176.91 1t44 h ARG 183 N 0.73 1.08 -0.56 4.80 2.43 -0.82 -0.29 114.38 121.75 1t44 h ARG 183 Ca 0.35 -0.18 -0.04 0.00 -0.81 0.00 0.00 59.98 59.30 1t44 h ARG 183 Cb 0.28 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 29.62 1t44 h ARG 183 CO -0.22 0.86 0.18 -0.44 -1.51 0.00 0.00 179.97 178.85 1t44 h ASP 184 N 1.04 0.77 -0.26 -3.80 5.19 -1.59 -1.20 116.42 116.58 1t44 h ASP 184 Ca 0.25 -0.11 -0.07 0.00 -0.62 0.00 0.00 57.03 56.47 1t44 h ASP 184 Cb 0.16 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.47 1t44 h ASP 184 CO -0.03 0.72 -0.11 -0.07 -3.12 0.00 0.00 179.24 176.63 1t44 h LEU 185 N 0.81 0.54 -0.52 1.55 4.07 -0.81 -1.65 115.31 119.31 1t44 h LEU 185 Ca 0.19 -0.40 0.05 0.00 0.08 0.00 0.00 57.88 57.80 1t44 h LEU 185 Cb 0.22 -0.15 -0.05 0.00 1.08 0.00 0.00 40.66 41.76 1t44 h LEU 185 CO -0.01 0.82 0.24 0.74 -1.08 0.00 0.00 178.44 179.15 1t44 h THR 186 N 0.26 0.92 -0.52 0.22 2.02 -0.86 -0.85 112.91 114.10 1t44 h THR 186 Ca 0.06 -0.16 -0.07 0.00 0.77 0.00 0.00 66.41 67.01 1t44 h THR 186 Cb 0.61 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 67.41 1t44 h THR 186 CO 0.04 0.09 0.05 0.44 0.37 0.00 0.00 175.52 176.50 1t44 h ASP 187 N 0.47 0.81 -0.31 4.18 3.32 -1.06 -1.73 116.42 122.09 1t44 h ASP 187 Ca 0.24 -0.18 -0.14 0.00 0.02 0.00 0.00 57.03 56.97 1t44 h ASP 187 Cb 0.18 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.51 1t44 h ASP 187 CO -0.19 0.84 -0.35 0.22 -1.72 0.00 0.00 179.24 178.05 1t44 h TYR 188 N 0.80 0.95 -0.76 4.55 3.20 -0.99 -1.13 116.97 123.58 1t44 h TYR 188 Ca 0.16 -0.29 0.01 0.00 3.14 0.00 0.00 58.73 61.74 1t44 h TYR 188 Cb 0.40 -0.20 -0.04 0.00 1.54 0.00 0.00 36.73 38.44 1t44 h TYR 188 CO 0.02 1.08 0.50 1.25 -1.64 0.00 0.00 178.16 179.37 1t44 h LEU 189 N 0.56 0.88 -0.90 2.82 5.85 -0.98 -0.90 115.31 122.64 1t44 h LEU 189 Ca 0.05 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.75 1t44 h LEU 189 Cb 0.93 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.70 1t44 h LEU 189 CO 0.08 0.64 0.60 -0.03 -0.34 0.00 0.00 178.44 179.39 1t44 h MET 190 N 1.03 1.18 0.03 1.25 4.05 -1.09 -0.34 114.93 121.05 1t44 h MET 190 Ca 0.28 -0.07 -0.00 0.00 -0.28 0.00 0.00 59.70 59.63 1t44 h MET 190 Cb -0.12 -0.27 0.00 0.00 -0.80 0.00 0.00 31.60 30.42 1t44 h MET 190 CO -0.06 0.78 -0.01 -0.22 0.23 0.00 0.00 176.91 177.63 1t44 h LYS 191 N 1.22 -0.04 0.00 0.39 3.64 -0.25 -1.12 116.57 120.41 1t44 h LYS 191 Ca 0.33 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.57 1t44 h LYS 191 Cb -0.14 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.67 1t44 h LYS 191 CO -0.07 0.06 -0.67 -0.84 -2.27 0.00 0.00 179.45 175.65 1t44 h ILE 192 N -0.13 1.31 -0.25 2.00 3.07 -0.98 -1.57 117.51 120.96 1t44 h ILE 192 Ca -0.00 -2.45 -0.14 0.00 1.55 0.00 0.00 64.86 63.81 1t44 h ILE 192 Cb 0.11 2.39 -0.01 0.00 -0.27 0.00 0.00 36.82 39.05 1t44 h ILE 192 CO 0.01 0.66 -0.43 -0.07 -1.05 0.00 0.00 178.15 177.27 1t44 h LEU 193 N 0.00 0.66 -1.02 0.16 4.07 -1.06 -2.33 115.31 115.78 1t44 h LEU 193 Ca -0.01 -0.31 0.00 0.00 0.08 0.00 0.00 57.88 57.65 1t44 h LEU 193 Cb 1.34 -0.19 -0.05 0.00 1.08 0.00 0.00 40.66 42.84 1t44 h LEU 193 CO 0.09 1.00 0.58 0.74 -1.08 0.00 0.00 178.44 179.77 1t44 h THR 194 N 0.50 1.25 -0.19 0.22 2.02 -0.89 -2.54 112.91 113.28 1t44 h THR 194 Ca 0.04 -0.51 -0.04 0.00 0.77 0.00 0.00 66.41 66.67 1t44 h THR 194 Cb 0.95 -0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 1t44 h THR 194 CO 0.09 0.25 -0.06 -0.33 0.37 0.00 0.00 175.52 175.84 1t44 h GLU 195 N 1.28 0.28 0.00 6.66 5.08 -0.94 -1.86 114.58 125.08 1t44 h GLU 195 Ca 0.34 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.65 1t44 h GLU 195 Cb -0.09 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.11 1t44 h GLU 195 CO -0.07 0.35 0.00 -2.13 -1.00 0.00 0.00 179.01 176.17 1t44 n ARG 196 N -4.32 0.20 0.00 2.33 0.63 -0.91 -4.87 116.66 109.71 1t44 n ARG 196 Ca -0.00 0.41 0.00 0.00 -0.92 0.00 0.00 57.85 57.34 1t44 n ARG 196 Cb 0.22 -1.87 0.00 0.00 0.45 0.00 0.00 32.46 31.26 1t44 n ARG 196 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1t44 n GLY 197 N 0.10 0.57 3.97 5.14 0.00 -0.70 -5.10 105.19 109.16 1t44 n GLY 197 Ca 0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.81 1t44 n GLY 197 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1t44 s TYR 198 N -1.31 2.40 -0.09 1.61 4.12 -1.03 -5.00 117.35 118.05 1t44 s TYR 198 Ca 0.00 0.04 -0.04 0.00 0.02 0.00 0.00 57.07 57.09 1t44 s TYR 198 Cb 0.00 -3.02 0.05 0.00 -1.52 0.00 0.00 41.96 37.47 1t44 s TYR 198 CO 0.00 -1.37 0.20 0.45 0.02 0.00 0.00 175.55 174.84 1t44 s SER 199 N -4.57 0.01 -0.50 2.29 0.15 -1.26 -4.24 113.70 105.57 1t44 s SER 199 Ca 0.62 0.42 0.04 0.00 0.70 0.00 0.00 55.95 57.72 1t44 s SER 199 Cb -0.08 0.33 0.17 0.00 -1.71 0.00 0.00 66.02 64.72 1t44 s SER 199 CO 0.43 -0.18 0.38 -0.36 1.20 0.00 0.00 173.24 174.70 1t44 s PHE 200 N 1.50 1.88 -0.16 3.44 0.40 -1.26 -5.00 117.98 118.79 1t44 s PHE 200 Ca -0.06 -2.62 0.17 0.00 -0.60 0.00 0.00 56.93 53.82 1t44 s PHE 200 Cb -0.11 -1.51 -0.05 0.00 0.51 0.00 0.00 43.02 41.85 1t44 s PHE 200 CO -0.07 -0.74 1.04 0.28 0.70 0.00 0.00 175.22 176.43 1t44 h VAL 201 N 4.61 0.50 -3.15 -0.44 2.07 -1.98 -3.46 116.25 114.39 1t44 h VAL 201 Ca 0.21 -1.87 -0.51 0.00 0.82 0.00 0.00 66.70 65.35 1t44 h VAL 201 Cb 0.87 2.05 -0.00 0.00 -1.52 0.00 0.00 31.29 32.68 1t44 h VAL 201 CO 0.48 0.28 -0.14 0.42 0.02 0.00 0.00 177.57 178.63 1t44 s THR 202 N -3.01 5.04 0.45 2.57 -4.23 -1.26 -4.99 115.64 110.22 1t44 s THR 202 Ca -0.00 -0.03 0.11 0.00 -1.18 0.00 0.00 61.69 60.59 1t44 s THR 202 Cb 0.08 -3.76 0.26 0.00 1.34 0.00 0.00 72.50 70.42 1t44 s THR 202 CO 0.79 -0.38 2.08 0.71 -0.54 0.00 0.00 174.62 177.28 1t44 h THR 203 N 1.22 1.07 -0.79 3.99 1.35 -2.02 -2.17 112.91 115.56 1t44 h THR 203 Ca -0.48 -0.18 -0.01 0.00 -0.55 0.00 0.00 66.41 65.19 1t44 h THR 203 Cb 1.19 0.80 -0.04 0.00 -1.73 0.00 0.00 68.15 68.37 1t44 h THR 203 CO 0.65 0.07 0.44 0.00 -0.25 0.00 0.00 175.52 176.43 1t44 h ALA 204 N 1.84 1.28 0.00 6.62 0.00 -1.96 -2.22 119.26 124.82 1t44 h ALA 204 Ca 0.07 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1t44 h ALA 204 Cb 0.01 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 1t44 h ALA 204 CO -0.01 0.59 -0.08 0.93 0.00 0.00 0.00 179.25 180.68 1t44 h GLU 205 N 1.10 0.00 -0.71 0.00 5.08 -1.75 -1.97 114.58 116.33 1t44 h GLU 205 Ca 0.28 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.70 1t44 h GLU 205 Cb 0.02 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 1t44 h GLU 205 CO -0.05 0.08 0.47 0.00 -1.00 0.00 0.00 179.01 178.51 1t44 h ARG 206 N 0.00 0.74 -0.20 2.33 3.08 -1.34 -1.27 114.38 117.72 1t44 h ARG 206 Ca -0.00 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 59.92 1t44 h ARG 206 Cb 0.45 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 1t44 h ARG 206 CO 0.01 0.49 -0.24 0.93 -1.07 0.00 0.00 179.97 180.10 1t44 h GLU 207 N 0.77 0.37 -0.40 0.04 4.39 -1.43 0.46 114.58 118.77 1t44 h GLU 207 Ca 0.30 -0.13 -0.05 0.00 0.34 0.00 0.00 59.36 59.83 1t44 h GLU 207 Cb 0.21 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.82 1t44 h GLU 207 CO -0.10 0.59 0.07 0.82 -1.16 0.00 0.00 179.01 179.23 1t44 h ILE 208 N 0.33 1.24 -0.41 3.13 1.08 -1.30 -1.77 117.51 119.81 1t44 h ILE 208 Ca 0.05 -0.86 -0.09 0.00 -0.39 0.00 0.00 64.86 63.57 1t44 h ILE 208 Cb 0.60 1.02 -0.02 0.00 -3.07 0.00 0.00 36.82 35.35 1t44 h ILE 208 CO 0.04 0.29 -0.12 0.58 -0.69 0.00 0.00 178.15 178.26 1t44 h VAL 209 N 0.52 1.26 -0.55 1.67 2.07 -0.90 -1.73 116.25 118.57 1t44 h VAL 209 Ca 0.12 -1.16 0.04 0.00 0.82 0.00 0.00 66.70 66.52 1t44 h VAL 209 Cb 0.36 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 31.15 1t44 h VAL 209 CO 0.01 0.39 0.30 -0.09 0.02 0.00 0.00 177.57 178.20 1t44 h ARG 210 N 0.67 0.57 -0.75 1.57 2.43 -0.77 -0.82 114.38 117.28 1t44 h ARG 210 Ca 0.11 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.26 1t44 h ARG 210 Cb 0.58 -0.13 -0.04 0.00 -0.42 0.00 0.00 29.97 29.96 1t44 h ARG 210 CO 0.04 0.38 0.50 0.22 -1.51 0.00 0.00 179.97 179.59 1t44 h ASP 211 N 0.59 0.85 -0.37 -3.80 -0.00 -0.67 -1.15 116.42 111.88 1t44 h ASP 211 Ca 0.24 -0.02 0.02 0.00 -0.00 0.00 0.00 57.03 57.26 1t44 h ASP 211 Cb 0.10 -0.21 -0.02 0.00 -0.00 0.00 0.00 39.33 39.20 1t44 h ASP 211 CO -0.14 0.61 0.21 0.40 -0.00 0.00 0.00 179.24 180.33 1t44 h ILE 212 N 1.00 1.04 -0.29 2.25 2.04 -0.78 -1.69 117.51 121.08 1t44 h ILE 212 Ca 0.28 -0.15 0.05 0.00 1.00 0.00 0.00 64.86 66.04 1t44 h ILE 212 Cb -0.10 0.57 -0.05 0.00 -0.74 0.00 0.00 36.82 36.50 1t44 h ILE 212 CO -0.07 0.08 -0.04 0.50 0.00 0.00 0.00 178.15 178.63 1t44 h LYS 213 N 0.43 0.04 0.00 2.37 3.64 -0.81 0.28 116.57 122.53 1t44 h LYS 213 Ca 0.14 -0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.44 1t44 h LYS 213 Cb 0.00 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 1t44 h LYS 213 CO -0.07 0.03 -0.38 0.93 -2.27 0.00 0.00 179.45 177.69 1t44 h GLU 214 N 0.04 0.00 0.00 1.90 5.08 -0.91 -2.44 114.58 118.25 1t44 h GLU 214 Ca 0.14 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.21 1t44 h GLU 214 Cb 0.20 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.40 1t44 h GLU 214 CO -0.27 0.38 -1.94 1.63 -1.00 0.00 0.00 179.01 177.81 1t44 n LYS 215 N -3.99 0.65 0.00 2.33 5.02 -0.66 -4.71 118.16 116.79 1t44 n LYS 215 Ca -0.02 0.15 0.00 0.00 -2.02 0.00 0.00 58.31 56.42 1t44 n LYS 215 Cb 0.42 -1.68 0.00 0.00 -0.02 0.00 0.00 35.03 33.75 1t44 n LYS 215 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1t44 n LEU 216 N -2.88 0.00 -4.84 -0.35 4.32 0.05 -5.06 117.00 108.24 1t44 n LEU 216 Ca -0.21 -0.20 -0.32 0.00 -0.02 0.00 0.00 56.01 55.26 1t44 n LEU 216 Cb 1.04 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 42.81 1t44 n LEU 216 CO 0.44 0.00 0.68 0.00 -1.22 0.00 0.00 177.39 177.29 1t44 s TYR 218 N -2.62 -0.17 -0.25 0.00 -0.85 -0.66 -4.46 117.35 108.34 1t44 s TYR 218 Ca 0.59 -0.15 -0.13 0.00 -0.52 0.00 0.00 57.07 56.86 1t44 s TYR 218 Cb -0.10 0.32 -0.04 0.00 0.38 0.00 0.00 41.96 42.51 1t44 s TYR 218 CO 0.32 -0.79 0.30 0.08 -1.52 0.00 0.00 175.55 173.93 1t44 s VAL 219 N -3.83 5.25 0.22 -3.49 1.01 0.19 -3.92 120.40 115.82 1t44 s VAL 219 Ca 0.06 0.44 -0.30 0.00 0.00 0.00 0.00 61.98 62.18 1t44 s VAL 219 Cb 0.01 -3.63 -0.09 0.00 0.00 0.00 0.00 36.38 32.67 1t44 s VAL 219 CO -0.08 0.24 1.20 0.00 0.00 0.00 0.00 175.10 176.46 1t44 s ALA 220 N 1.60 3.45 0.12 5.51 0.00 -1.26 -4.43 121.76 126.75 1t44 s ALA 220 Ca 0.13 0.99 -0.18 0.00 0.00 0.00 0.00 51.96 52.90 1t44 s ALA 220 Cb -0.15 -3.41 -0.04 0.00 0.00 0.00 0.00 23.12 19.52 1t44 s ALA 220 CO 0.08 -0.38 1.71 1.25 0.00 0.00 0.00 175.76 178.43 1t44 h LEU 221 N 4.81 0.39 -7.52 0.00 5.85 -1.97 -3.39 115.31 113.48 1t44 h LEU 221 Ca -0.45 -0.10 -0.60 0.00 0.84 0.00 0.00 57.88 57.56 1t44 h LEU 221 Cb 1.21 -0.10 -0.39 0.00 0.37 0.00 0.00 40.66 41.76 1t44 h LEU 221 CO 0.73 0.38 -0.77 -0.62 -0.34 0.00 0.00 178.44 177.82 1t44 s ASP 222 N -5.62 3.93 0.13 1.25 -1.08 -1.26 -4.90 116.67 109.12 1t44 s ASP 222 Ca -0.13 -1.38 -0.18 0.00 -0.52 0.00 0.00 52.55 50.34 1t44 s ASP 222 Cb 0.09 -1.13 -0.02 0.00 -1.46 0.00 0.00 42.92 40.40 1t44 s ASP 222 CO 0.72 -0.30 1.77 0.15 0.52 0.00 0.00 175.17 178.03 1t44 h PHE 223 N 7.96 0.24 -0.55 -5.34 3.57 -2.00 -1.62 116.94 119.21 1t44 h PHE 223 Ca -0.15 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.28 1t44 h PHE 223 Cb 1.06 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.70 1t44 h PHE 223 CO 0.45 0.13 0.02 0.93 -2.23 0.00 0.00 178.31 177.61 1t44 h GLU 224 N 0.27 0.91 -0.62 1.11 4.39 -1.98 -1.34 114.58 117.33 1t44 h GLU 224 Ca 0.11 -0.25 -0.06 0.00 0.34 0.00 0.00 59.36 59.49 1t44 h GLU 224 Cb 0.03 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.55 1t44 h GLU 224 CO -0.07 0.89 0.13 -0.91 -1.16 0.00 0.00 179.01 177.89 1t44 h ASN 225 N 0.85 0.93 -0.08 1.42 -0.26 -1.95 -2.64 115.58 113.85 1t44 h ASN 225 Ca 0.16 -0.19 -0.11 0.00 -0.56 0.00 0.00 56.30 55.60 1t44 h ASN 225 Cb 0.47 -0.25 -0.01 0.00 -1.06 0.00 0.00 38.32 37.47 1t44 h ASN 225 CO 0.02 0.92 -0.30 -0.33 -1.06 0.00 0.00 177.43 176.68 1t44 h GLU 226 N 0.94 0.55 -0.67 0.81 4.39 -0.85 -1.36 114.58 118.39 1t44 h GLU 226 Ca 0.20 -0.23 -0.05 0.00 0.34 0.00 0.00 59.36 59.61 1t44 h GLU 226 Cb 0.37 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.97 1t44 h GLU 226 CO 0.00 0.79 0.21 0.52 -1.16 0.00 0.00 179.01 179.38 1t44 h MET 227 N 0.47 1.02 -0.42 2.33 2.86 -1.10 -1.40 114.93 118.69 1t44 h MET 227 Ca 0.06 -0.20 -0.13 0.00 -2.06 0.00 0.00 59.70 57.37 1t44 h MET 227 Cb 0.76 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.25 1t44 h MET 227 CO 0.06 0.87 -0.24 0.00 1.06 0.00 0.00 176.91 178.66 1t44 h ALA 228 N 1.24 0.78 -0.39 6.32 0.00 -1.10 -1.81 119.26 124.29 1t44 h ALA 228 Ca 0.22 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1t44 h ALA 228 Cb 0.28 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1t44 h ALA 228 CO -0.01 0.65 0.23 1.15 0.00 0.00 0.00 179.25 181.27 1t44 h THR 229 N 0.75 1.14 0.00 0.00 2.02 -0.99 -1.84 112.91 113.99 1t44 h THR 229 Ca 0.10 -0.33 -0.04 0.00 0.77 0.00 0.00 66.41 66.91 1t44 h THR 229 Cb 0.79 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.84 1t44 h THR 229 CO 0.07 0.14 -0.17 0.00 0.37 0.00 0.00 175.52 175.93 1t44 h ALA 230 N 1.09 1.54 0.00 6.16 0.00 -0.93 -1.70 119.26 125.42 1t44 h ALA 230 Ca 0.14 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1t44 h ALA 230 Cb 0.03 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1t44 h ALA 230 CO -0.02 0.21 -0.50 0.00 0.00 0.00 0.00 179.25 178.93 1t44 h ALA 231 N 1.83 0.77 -0.01 0.00 0.00 -0.97 -3.35 119.26 117.52 1t44 h ALA 231 Ca -0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1t44 h ALA 231 Cb 0.33 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1t44 h ALA 231 CO 0.02 0.30 -0.20 -1.13 0.00 0.00 0.00 179.25 178.24 1t44 n SER 232 N -3.04 1.50 -3.77 0.00 3.41 -0.72 -5.02 113.62 105.98 1t44 n SER 232 Ca 0.01 -1.25 -0.10 0.00 -0.26 0.00 0.00 58.87 57.28 1t44 n SER 232 Cb 0.63 0.37 -0.06 0.00 -0.26 0.00 0.00 64.21 64.89 1t44 n SER 232 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1t44 s SER 233 N -1.43 -0.08 0.00 4.04 0.15 -0.70 -5.05 113.70 110.63 1t44 s SER 233 Ca 0.11 -0.53 0.23 0.00 0.70 0.00 0.00 55.95 56.46 1t44 s SER 233 Cb 0.10 0.43 0.46 0.00 -1.71 0.00 0.00 66.02 65.30 1t44 s SER 233 CO 0.27 -0.84 1.41 -1.54 1.20 0.00 0.00 173.24 173.75 1t44 n SER 234 N -0.18 3.54 0.21 5.45 3.41 -1.26 -4.58 113.62 120.21 1t44 n SER 234 Ca -0.14 -1.99 0.15 0.00 -0.26 0.00 0.00 58.87 56.64 1t44 n SER 234 Cb 0.63 -0.30 0.65 0.00 -0.26 0.00 0.00 64.21 64.93 1t44 n SER 234 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1t44 h SER 235 N 4.33 0.00 0.37 4.04 4.64 -1.93 -1.73 113.55 123.26 1t44 h SER 235 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1t44 h SER 235 Cb 0.97 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 1t44 h SER 235 CO 0.00 0.00 -0.29 0.18 -0.87 0.00 0.00 176.83 175.85 1t44 n LEU 236 N -2.66 0.73 -4.77 5.97 4.32 -1.26 -4.95 117.00 114.38 1t44 n LEU 236 Ca 0.01 -0.11 -0.38 0.00 -0.02 0.00 0.00 56.01 55.51 1t44 n LEU 236 Cb 0.23 -0.19 -0.05 0.00 -1.62 0.00 0.00 43.42 41.79 1t44 n LEU 236 CO 0.22 0.15 0.71 -1.61 -1.22 0.00 0.00 177.39 175.64 1t44 s GLU 237 N -2.66 4.50 0.09 3.23 2.02 -0.65 -4.78 118.70 120.45 1t44 s GLU 237 Ca 0.21 1.54 0.02 0.00 0.02 0.00 0.00 54.97 56.76 1t44 s GLU 237 Cb 0.19 -2.89 -0.04 0.00 0.10 0.00 0.00 34.13 31.49 1t44 s GLU 237 CO 0.56 0.16 -0.07 0.15 0.02 0.00 0.00 175.26 176.08 1t44 s LYS 238 N -1.91 0.81 0.05 1.61 -0.14 -0.48 -4.98 119.74 114.69 1t44 s LYS 238 Ca 0.50 -1.25 0.03 0.00 -1.36 0.00 0.00 55.97 53.88 1t44 s LYS 238 Cb -0.24 -0.27 -0.04 0.00 -1.68 0.00 0.00 37.83 35.60 1t44 s LYS 238 CO 0.31 0.01 0.01 -1.12 -0.76 0.00 0.00 175.35 173.80 1t44 s SER 239 N -2.81 5.16 -0.02 2.83 0.01 -1.26 -0.92 113.70 116.69 1t44 s SER 239 Ca 0.09 -0.07 -0.01 0.00 1.31 0.00 0.00 55.95 57.27 1t44 s SER 239 Cb 0.02 -1.31 0.02 0.00 0.21 0.00 0.00 66.02 64.96 1t44 s SER 239 CO -0.03 0.22 0.05 -0.47 0.41 0.00 0.00 173.24 173.41 1t44 s TYR 240 N -1.23 -0.03 -0.28 2.43 6.14 -0.19 -4.97 117.35 119.23 1t44 s TYR 240 Ca 0.24 0.16 -0.13 0.00 0.64 0.00 0.00 57.07 57.97 1t44 s TYR 240 Cb -0.12 -0.10 -0.04 0.00 0.42 0.00 0.00 41.96 42.12 1t44 s TYR 240 CO 0.15 -0.07 0.28 -2.00 0.64 0.00 0.00 175.55 174.56 1t44 s GLU 241 N 0.60 3.92 0.74 4.97 2.12 -1.26 -0.87 118.70 128.92 1t44 s GLU 241 Ca -0.05 -0.20 -0.11 0.00 0.36 0.00 0.00 54.97 54.97 1t44 s GLU 241 Cb -0.07 -3.68 0.03 0.00 0.26 0.00 0.00 34.13 30.68 1t44 s GLU 241 CO -0.02 -0.26 1.08 -0.51 -0.54 0.00 0.00 175.26 175.01 1t44 s LEU 242 N 1.90 2.91 0.44 2.70 1.02 0.14 -4.92 118.68 122.87 1t44 s LEU 242 Ca 0.11 1.49 0.15 0.00 0.02 0.00 0.00 54.13 55.90 1t44 s LEU 242 Cb -0.16 -4.26 1.06 0.00 0.02 0.00 0.00 46.19 42.85 1t44 s LEU 242 CO 0.11 -1.67 1.98 -0.65 0.02 0.00 0.00 176.35 176.13 1t44 h PRO 243 N -0.88 0.36 -0.02 1.29 0.11 -1.98 -0.57 132.00 130.32 1t44 h PRO 243 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1t44 h PRO 243 Cb 1.23 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1t44 h PRO 243 CO 0.58 0.24 0.00 -0.40 -0.21 0.00 0.00 178.00 178.21 1t44 n ASP 244 N -4.47 0.38 0.00 -2.05 3.85 -1.26 -4.91 116.55 108.09 1t44 n ASP 244 Ca 0.10 -1.26 0.00 0.00 -0.71 0.00 0.00 54.79 52.92 1t44 n ASP 244 Cb 0.39 -0.01 0.00 0.00 -1.35 0.00 0.00 41.12 40.15 1t44 n ASP 244 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1t44 n GLY 245 N 0.98 2.20 3.73 6.12 0.00 -0.22 -5.06 105.19 112.94 1t44 n GLY 245 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1t44 n GLY 245 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1t44 s GLN 246 N -0.81 4.18 -0.24 1.61 0.74 -1.26 -4.65 119.66 119.22 1t44 s GLN 246 Ca 0.00 2.47 -0.11 0.00 0.05 0.00 0.00 55.36 57.77 1t44 s GLN 246 Cb 0.00 -3.09 -0.05 0.00 1.10 0.00 0.00 33.01 30.97 1t44 s GLN 246 CO 0.00 -0.63 0.17 0.08 -0.55 0.00 0.00 175.29 174.37 1t44 s VAL 247 N 0.71 5.35 0.28 1.34 1.01 -1.26 0.25 120.40 128.09 1t44 s VAL 247 Ca 0.68 0.21 0.10 0.00 0.00 0.00 0.00 61.98 62.97 1t44 s VAL 247 Cb -0.46 -3.51 -0.05 0.00 0.00 0.00 0.00 36.38 32.36 1t44 s VAL 247 CO 0.37 0.34 -0.03 0.27 0.00 0.00 0.00 175.10 176.05 1t44 s ILE 248 N 1.09 3.12 -0.14 2.22 -4.36 -0.05 -4.92 121.20 118.16 1t44 s ILE 248 Ca 0.08 -2.00 -0.05 0.00 -0.26 0.00 0.00 60.65 58.42 1t44 s ILE 248 Cb -0.14 -2.75 -0.04 0.00 1.25 0.00 0.00 42.46 40.79 1t44 s ILE 248 CO 0.05 -0.34 0.04 -0.89 0.24 0.00 0.00 174.94 174.04 1t44 s THR 249 N -2.39 4.65 -0.17 8.37 2.01 -1.26 -1.02 115.64 125.82 1t44 s THR 249 Ca 0.32 -0.10 0.00 0.00 0.31 0.00 0.00 61.69 62.22 1t44 s THR 249 Cb -0.05 -3.04 0.01 0.00 0.01 0.00 0.00 72.50 69.42 1t44 s THR 249 CO 0.19 0.53 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.86 1t44 s ILE 250 N -0.17 2.51 0.00 1.82 1.09 -0.09 -4.98 121.20 121.38 1t44 s ILE 250 Ca 0.07 -0.80 0.00 0.00 -1.10 0.00 0.00 60.65 58.81 1t44 s ILE 250 Cb -0.12 -2.07 0.00 0.00 -1.06 0.00 0.00 42.46 39.21 1t44 s ILE 250 CO 0.02 0.51 0.00 0.61 -0.10 0.00 0.00 174.94 175.98 1t44 n GLY 251 N 4.40 0.83 0.15 6.18 0.00 -1.26 -1.38 105.19 114.10 1t44 n GLY 251 Ca -0.20 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.94 1t44 n GLY 251 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1t44 n ASN 252 N 0.00 0.61 0.00 1.61 0.23 -1.26 -1.50 115.26 114.95 1t44 n ASN 252 Ca 0.00 0.72 0.14 0.00 -0.53 0.00 0.00 54.58 54.92 1t44 n ASN 252 Cb 0.00 -0.82 0.59 0.00 -2.08 0.00 0.00 39.78 37.47 1t44 n ASN 252 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1t44 h GLU 253 N 0.00 0.19 -0.71 -3.83 3.07 -1.97 0.48 114.58 111.81 1t44 h GLU 253 Ca 0.00 -0.01 0.13 0.00 -0.50 0.00 0.00 59.36 58.98 1t44 h GLU 253 Cb 0.15 -0.04 -0.09 0.00 -0.84 0.00 0.00 28.75 27.93 1t44 h GLU 253 CO 0.00 0.13 0.24 0.00 -1.40 0.00 0.00 179.01 177.98 1t44 h ARG 254 N 0.20 0.37 0.00 2.33 3.08 -1.58 -2.33 114.38 116.44 1t44 h ARG 254 Ca 0.22 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.25 1t44 h ARG 254 Cb 0.63 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.59 1t44 h ARG 254 CO -0.04 0.24 -1.28 1.97 -1.07 0.00 0.00 179.97 179.80 1t44 n PHE 255 N -5.05 0.00 0.04 3.04 1.16 -0.91 -1.65 117.46 114.10 1t44 n PHE 255 Ca 0.13 0.00 -0.03 0.00 -1.87 0.00 0.00 57.45 55.67 1t44 n PHE 255 Cb 0.39 -0.20 0.20 0.00 -1.61 0.00 0.00 39.48 38.26 1t44 n PHE 255 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1t44 h ARG 256 N 0.00 0.41 0.83 3.97 3.08 -0.86 -2.57 114.38 119.23 1t44 h ARG 256 Ca 0.00 -0.17 -0.04 0.00 0.07 0.00 0.00 59.98 59.84 1t44 h ARG 256 Cb 0.55 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.59 1t44 h ARG 256 CO 0.00 0.69 -0.40 0.00 -1.07 0.00 0.00 179.97 179.19 1t44 h PRO 258 N -1.13 0.00 -0.60 0.00 0.13 -1.80 -2.87 132.00 125.73 1t44 h PRO 258 Ca -0.11 0.00 0.17 0.00 -0.87 0.00 0.00 66.00 65.19 1t44 h PRO 258 Cb 0.85 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.96 1t44 h PRO 258 CO 0.19 0.00 0.47 1.49 -0.23 0.00 0.00 178.00 179.92 1t44 h GLU 259 N 0.00 0.00 -0.86 0.86 4.57 -1.40 -1.43 114.58 116.32 1t44 h GLU 259 Ca 0.00 0.00 0.22 0.00 -1.18 0.00 0.00 59.36 58.40 1t44 h GLU 259 Cb 0.49 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 29.02 1t44 h GLU 259 CO 0.00 0.00 0.59 1.15 -1.18 0.00 0.00 179.01 179.57 1t44 h THR 260 N 0.00 0.64 -0.38 0.32 2.02 -1.57 0.61 112.91 114.55 1t44 h THR 260 Ca 0.28 -0.08 -0.01 0.00 0.77 0.00 0.00 66.41 67.37 1t44 h THR 260 Cb 1.22 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 68.01 1t44 h THR 260 CO -0.00 0.04 0.17 -0.07 0.37 0.00 0.00 175.52 176.03 1t44 h LEU 261 N 0.23 0.47 0.00 2.58 3.38 -1.49 -2.16 115.31 118.32 1t44 h LEU 261 Ca 0.43 -0.04 -0.18 0.00 0.09 0.00 0.00 57.88 58.18 1t44 h LEU 261 Cb 1.32 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.92 1t44 h LEU 261 CO -0.10 0.41 -1.50 0.49 0.09 0.00 0.00 178.44 177.83 1t44 n PHE 262 N -4.41 0.91 -3.58 1.13 3.72 0.02 -0.96 117.46 114.29 1t44 n PHE 262 Ca 0.02 0.30 -0.27 0.00 -0.05 0.00 0.00 57.45 57.46 1t44 n PHE 262 Cb 0.12 -1.07 -0.10 0.00 -0.94 0.00 0.00 39.48 37.49 1t44 n PHE 262 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 1t44 n GLN 263 N -2.87 1.12 0.19 -1.08 6.02 -0.16 -3.93 117.38 116.67 1t44 n GLN 263 Ca -0.11 -3.85 0.12 0.00 -0.01 0.00 0.00 57.00 53.15 1t44 n GLN 263 Cb 0.86 -1.93 0.66 0.00 1.02 0.00 0.00 30.24 30.85 1t44 n GLN 263 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 1t44 h PRO 264 N 5.25 0.00 -0.02 -1.09 0.11 -1.62 -1.61 132.00 133.02 1t44 h PRO 264 Ca 0.20 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.31 1t44 h PRO 264 Cb 0.82 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.93 1t44 h PRO 264 CO 0.56 0.00 0.07 0.66 -0.21 0.00 0.00 178.00 179.08 1t44 h SER 265 N 0.00 0.00 -0.60 -2.05 4.64 -1.80 -2.12 113.55 111.62 1t44 h SER 265 Ca 0.00 0.00 0.17 0.00 -0.47 0.00 0.00 61.79 61.49 1t44 h SER 265 Cb 0.10 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.16 1t44 h SER 265 CO 0.00 0.00 0.43 -0.26 -0.87 0.00 0.00 176.83 176.13 1t44 h PHE 266 N 0.00 0.04 -0.09 4.77 0.05 -1.61 -2.59 116.94 117.51 1t44 h PHE 266 Ca 0.01 0.00 -0.01 0.00 3.82 0.00 0.00 57.97 61.79 1t44 h PHE 266 Cb 0.14 -0.01 -0.00 0.00 2.00 0.00 0.00 35.95 38.08 1t44 h PHE 266 CO 0.00 0.01 -0.03 0.44 -0.18 0.00 0.00 178.31 178.56 1t44 n ILE 267 N -4.37 2.05 -0.51 -0.55 -5.35 -0.83 -4.99 119.36 104.81 1t44 n ILE 267 Ca 0.11 -2.22 0.00 0.00 -0.27 0.00 0.00 62.75 60.37 1t44 n ILE 267 Cb 0.66 -0.25 0.00 0.00 -1.74 0.00 0.00 39.64 38.31 1t44 n ILE 267 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1t44 n GLY 268 N -1.14 0.75 3.79 3.28 0.00 -0.98 -5.04 105.19 105.85 1t44 n GLY 268 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 1t44 n GLY 268 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1t44 s MET 269 N -0.49 4.40 0.00 1.61 -1.94 -1.01 -4.94 119.30 116.93 1t44 s MET 269 Ca 0.00 0.96 0.26 0.00 -1.71 0.00 0.00 55.69 55.20 1t44 s MET 269 Cb 0.00 -3.27 1.02 0.00 2.01 0.00 0.00 34.83 34.60 1t44 s MET 269 CO 0.00 0.56 1.72 0.39 -0.01 0.00 0.00 175.02 177.68 1t44 n GLU 270 N 1.81 1.63 -1.67 2.03 1.02 -1.26 -2.81 120.64 121.38 1t44 n GLU 270 Ca -0.07 -0.93 -0.35 0.00 -0.02 0.00 0.00 57.16 55.79 1t44 n GLU 270 Cb 0.50 -1.46 0.07 0.00 -0.02 0.00 0.00 31.44 30.53 1t44 n GLU 270 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1t44 s SER 271 N -1.88 4.66 0.60 1.62 0.01 -1.26 -5.01 113.70 112.45 1t44 s SER 271 Ca 0.37 2.31 -0.18 0.00 1.31 0.00 0.00 55.95 59.76 1t44 s SER 271 Cb 0.20 -2.59 -0.03 0.00 0.21 0.00 0.00 66.02 63.81 1t44 s SER 271 CO 0.32 -1.94 1.15 0.00 0.41 0.00 0.00 173.24 173.17 1t44 s ALA 272 N -1.91 2.55 0.95 1.44 0.00 -1.26 -4.47 121.76 119.05 1t44 s ALA 272 Ca 0.74 0.79 -0.13 0.00 0.00 0.00 0.00 51.96 53.36 1t44 s ALA 272 Cb -0.28 -3.38 0.16 0.00 0.00 0.00 0.00 23.12 19.62 1t44 s ALA 272 CO 0.41 -1.09 1.16 0.20 0.00 0.00 0.00 175.76 176.43 1t44 s GLY 273 N -1.98 1.60 0.53 0.00 0.00 -1.25 -4.74 107.32 101.47 1t44 s GLY 273 Ca 0.72 -0.65 0.26 0.00 0.00 0.00 0.00 44.72 45.05 1t44 s GLY 273 CO 0.34 -0.04 2.10 0.16 0.00 0.00 0.00 173.10 175.66 1t44 h ILE 274 N -1.63 0.62 -0.29 0.90 3.07 -1.31 -1.55 117.51 117.31 1t44 h ILE 274 Ca -0.49 -0.45 -0.10 0.00 1.55 0.00 0.00 64.86 65.37 1t44 h ILE 274 Cb 1.32 1.28 -0.01 0.00 -0.27 0.00 0.00 36.82 39.14 1t44 h ILE 274 CO 0.56 0.10 -0.19 1.12 -1.05 0.00 0.00 178.15 178.69 1t44 h HIS 275 N 0.00 0.76 -0.10 0.16 2.07 -1.92 -2.48 115.15 113.65 1t44 h HIS 275 Ca -0.00 -0.20 -0.18 0.00 -2.85 0.00 0.00 60.37 57.13 1t44 h HIS 275 Cb 0.27 -0.17 -0.00 0.00 2.57 0.00 0.00 27.41 30.08 1t44 h HIS 275 CO 0.00 0.91 -0.70 1.49 -3.07 0.00 0.00 177.93 176.55 1t44 h GLU 276 N 0.40 0.45 -0.05 5.12 4.81 -1.69 -2.45 114.58 121.16 1t44 h GLU 276 Ca 0.06 -0.35 -0.11 0.00 -0.13 0.00 0.00 59.36 58.83 1t44 h GLU 276 Cb 0.73 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.17 1t44 h GLU 276 CO 0.05 0.98 -0.48 1.79 -0.73 0.00 0.00 179.01 180.63 1t44 h THR 277 N 0.31 1.34 -0.08 0.32 1.35 -1.37 0.12 112.91 114.91 1t44 h THR 277 Ca -0.03 -1.67 -0.00 0.00 -0.55 0.00 0.00 66.41 64.16 1t44 h THR 277 Cb 1.28 1.84 -0.00 0.00 -1.73 0.00 0.00 68.15 69.53 1t44 h THR 277 CO 0.12 0.49 0.04 0.74 -0.25 0.00 0.00 175.52 176.66 1t44 h THR 278 N 0.10 1.12 -0.29 6.82 2.02 -1.34 -0.19 112.91 121.15 1t44 h THR 278 Ca 0.00 -0.34 -0.00 0.00 0.77 0.00 0.00 66.41 66.84 1t44 h THR 278 Cb 0.89 1.21 -0.01 0.00 -1.74 0.00 0.00 68.15 68.49 1t44 h THR 278 CO 0.07 0.10 0.17 0.22 0.37 0.00 0.00 175.52 176.45 1t44 h TYR 279 N -0.01 0.39 -0.84 3.16 3.20 -1.24 -1.65 116.97 119.98 1t44 h TYR 279 Ca 0.03 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.93 1t44 h TYR 279 Cb 0.13 -0.13 -0.05 0.00 1.54 0.00 0.00 36.73 38.22 1t44 h TYR 279 CO -0.03 0.30 0.54 -0.91 -1.64 0.00 0.00 178.16 176.42 1t44 h ASN 280 N 0.37 0.88 -0.24 -2.11 -0.26 -0.68 -0.62 115.58 112.91 1t44 h ASN 280 Ca 0.10 -0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.83 1t44 h ASN 280 Cb 0.03 -0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 37.09 1t44 h ASN 280 CO -0.02 0.60 0.10 -1.28 -1.06 0.00 0.00 177.43 175.77 1t44 h SER 281 N 1.03 0.32 -0.97 5.81 0.87 -0.75 -2.40 113.55 117.46 1t44 h SER 281 Ca 0.34 -0.15 0.03 0.00 -1.23 0.00 0.00 61.79 60.78 1t44 h SER 281 Cb 0.04 -0.08 -0.05 0.00 -0.44 0.00 0.00 62.40 61.86 1t44 h SER 281 CO -0.13 0.38 0.64 0.40 -0.53 0.00 0.00 176.83 177.59 1t44 h ILE 282 N 0.24 1.19 0.00 2.23 2.04 -0.96 -2.05 117.51 120.21 1t44 h ILE 282 Ca 0.08 -0.43 0.00 0.00 1.00 0.00 0.00 64.86 65.51 1t44 h ILE 282 Cb 0.15 -0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.06 1t44 h ILE 282 CO -0.01 0.23 0.00 0.24 0.00 0.00 0.00 178.15 178.61 1t44 h MET 283 N 1.26 0.00 0.00 2.37 2.86 -0.85 -1.50 114.93 119.07 1t44 h MET 283 Ca 0.38 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.02 1t44 h MET 283 Cb -0.04 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.62 1t44 h MET 283 CO -0.11 0.00 0.00 1.63 1.06 0.00 0.00 176.91 179.49 1t44 n LYS 284 N -2.89 0.08 -3.36 1.72 5.02 -0.77 -4.86 118.16 113.09 1t44 n LYS 284 Ca 0.01 0.10 -0.25 0.00 -2.02 0.00 0.00 58.31 56.16 1t44 n LYS 284 Cb 0.32 -1.60 -0.02 0.00 -0.02 0.00 0.00 35.03 33.72 1t44 n LYS 284 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1t44 n ASP 286 N -1.56 1.65 -0.05 0.00 -0.08 -1.26 -4.84 116.55 110.41 1t44 n ASP 286 Ca -0.04 1.12 0.24 0.00 -1.51 0.00 0.00 54.79 54.59 1t44 n ASP 286 Cb 0.55 -1.16 0.72 0.00 2.34 0.00 0.00 41.12 43.58 1t44 n ASP 286 CO 0.00 0.00 0.00 -0.29 0.12 0.00 0.00 177.20 177.03 1t44 h ILE 287 N 3.66 0.52 0.00 5.18 2.10 -1.93 -1.44 117.51 125.59 1t44 h ILE 287 Ca -0.48 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.46 1t44 h ILE 287 Cb 1.34 0.62 0.00 0.00 -1.09 0.00 0.00 36.82 37.69 1t44 h ILE 287 CO 0.80 0.00 0.00 0.47 -1.08 0.00 0.00 178.15 178.34 1t44 n ASP 288 N -4.08 0.46 -0.29 2.19 10.43 -1.26 -2.87 116.55 121.12 1t44 n ASP 288 Ca 0.13 0.59 0.05 0.00 2.57 0.00 0.00 54.79 58.13 1t44 n ASP 288 Cb 0.78 -0.69 0.01 0.00 1.84 0.00 0.00 41.12 43.05 1t44 n ASP 288 CO 0.00 0.00 0.00 2.30 -1.07 0.00 0.00 177.20 178.43 1t44 n ILE 289 N -1.98 0.00 -0.24 0.53 -5.35 -0.55 -4.70 119.36 107.07 1t44 n ILE 289 Ca 0.04 -0.42 -0.03 0.00 -0.27 0.00 0.00 62.75 62.06 1t44 n ILE 289 Cb 0.27 1.15 0.14 0.00 -1.74 0.00 0.00 39.64 39.46 1t44 n ILE 289 CO 0.00 0.00 0.00 0.03 -1.76 0.00 0.00 176.55 174.82 1t44 h ARG 290 N 1.41 1.07 -0.61 6.28 3.08 -1.51 -2.35 114.38 121.76 1t44 h ARG 290 Ca 0.00 -0.16 0.07 0.00 0.07 0.00 0.00 59.98 59.96 1t44 h ARG 290 Cb 0.38 -0.19 -0.06 0.00 0.08 0.00 0.00 29.97 30.18 1t44 h ARG 290 CO 0.00 0.84 0.30 -0.22 -1.07 0.00 0.00 179.97 179.82 1t44 h LYS 291 N 1.06 0.53 0.00 0.04 3.64 -1.84 -0.91 116.57 119.08 1t44 h LYS 291 Ca 0.25 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.51 1t44 h LYS 291 Cb 0.14 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1t44 h LYS 291 CO -0.03 0.35 -0.43 -0.44 -2.27 0.00 0.00 179.45 176.63 1t44 h ASP 292 N 0.55 0.00 -0.20 4.20 3.45 -1.77 -2.54 116.42 120.11 1t44 h ASP 292 Ca 0.28 0.00 -0.07 0.00 0.43 0.00 0.00 57.03 57.68 1t44 h ASP 292 Cb 0.25 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.01 1t44 h ASP 292 CO -0.22 0.43 -0.13 -0.07 -1.57 0.00 0.00 179.24 177.68 1t44 h LEU 293 N 0.00 0.46 -1.24 1.55 4.07 -0.86 -3.01 115.31 116.28 1t44 h LEU 293 Ca -0.00 -0.43 -0.05 0.00 0.08 0.00 0.00 57.88 57.47 1t44 h LEU 293 Cb 0.77 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 42.36 1t44 h LEU 293 CO 0.06 0.80 -0.04 1.88 -1.08 0.00 0.00 178.44 180.05 1t44 h TYR 294 N 0.13 0.48 -0.00 1.13 0.05 -1.04 -1.86 116.97 115.86 1t44 h TYR 294 Ca 0.04 -0.05 0.00 0.00 0.05 0.00 0.00 58.73 58.77 1t44 h TYR 294 Cb 0.64 -0.14 0.00 0.00 1.01 0.00 0.00 36.73 38.24 1t44 h TYR 294 CO 0.07 0.51 -0.03 0.00 -1.05 0.00 0.00 178.16 177.66 1t44 n ALA 295 N -2.48 2.61 -2.94 3.88 0.00 -0.97 -1.89 120.51 118.72 1t44 n ALA 295 Ca 0.01 -0.20 -0.14 0.00 0.00 0.00 0.00 53.44 53.12 1t44 n ALA 295 Cb 0.26 -1.45 0.01 0.00 0.00 0.00 0.00 19.45 18.26 1t44 n ALA 295 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1t44 n ASN 296 N -1.08 0.79 -4.51 0.00 3.02 -0.70 -4.32 115.26 108.46 1t44 n ASN 296 Ca 0.17 -2.91 -0.43 0.00 -0.03 0.00 0.00 54.58 51.38 1t44 n ASN 296 Cb 0.22 -0.39 -0.04 0.00 -0.61 0.00 0.00 39.78 38.96 1t44 n ASN 296 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1t44 s ASN 297 N -2.59 6.33 -0.20 6.41 -0.87 -0.94 -1.19 114.94 121.89 1t44 s ASN 297 Ca 0.33 -0.40 -0.08 0.00 -1.57 0.00 0.00 52.86 51.14 1t44 s ASN 297 Cb 0.39 -2.42 -0.04 0.00 -0.02 0.00 0.00 41.25 39.16 1t44 s ASN 297 CO -0.03 -1.17 0.09 -0.69 -2.57 0.00 0.00 177.10 172.73 1t44 s VAL 298 N 3.75 4.91 -0.13 1.60 1.01 -0.29 -0.59 120.40 130.66 1t44 s VAL 298 Ca 0.29 0.01 -0.14 0.00 0.00 0.00 0.00 61.98 62.13 1t44 s VAL 298 Cb -0.13 -3.24 -0.05 0.00 0.00 0.00 0.00 36.38 32.96 1t44 s VAL 298 CO 0.19 0.42 0.33 -0.04 0.00 0.00 0.00 175.10 176.00 1t44 s MET 299 N 0.65 4.20 0.04 2.72 -1.94 -0.10 -0.48 119.30 124.38 1t44 s MET 299 Ca 0.05 0.19 -0.00 0.00 -1.71 0.00 0.00 55.69 54.21 1t44 s MET 299 Cb -0.13 -3.39 -0.03 0.00 2.01 0.00 0.00 34.83 33.29 1t44 s MET 299 CO 0.01 0.30 -0.04 -1.54 -0.01 0.00 0.00 175.02 173.74 1t44 s SER 300 N 0.26 0.50 0.00 3.03 1.04 0.69 -4.56 113.70 114.66 1t44 s SER 300 Ca 0.19 -0.76 0.00 0.00 0.48 0.00 0.00 55.95 55.86 1t44 s SER 300 Cb -0.14 0.13 0.00 0.00 0.10 0.00 0.00 66.02 66.12 1t44 s SER 300 CO 0.06 -0.43 0.00 0.61 0.98 0.00 0.00 173.24 174.46 1t44 n GLY 301 N 0.81 2.26 0.34 7.32 0.00 -0.44 -1.34 105.19 114.15 1t44 n GLY 301 Ca -0.19 -1.91 0.01 0.00 0.00 0.00 0.00 46.02 43.94 1t44 n GLY 301 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1t44 h GLY 302 N 0.00 0.95 1.95 -0.02 0.00 -1.77 -2.12 103.07 102.06 1t44 h GLY 302 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 46.97 1t44 h GLY 302 CO 0.00 0.35 0.00 2.41 0.00 0.00 0.00 176.54 179.30 1t44 n THR 303 N -4.43 0.35 1.21 4.70 -1.04 -0.68 -1.85 114.28 112.53 1t44 n THR 303 Ca 0.07 0.09 0.07 0.00 -2.04 0.00 0.00 64.05 62.24 1t44 n THR 303 Cb 0.04 -0.68 0.26 0.00 -1.82 0.00 0.00 70.33 68.13 1t44 n THR 303 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1t44 n THR 304 N -1.47 0.29 1.35 12.58 -2.24 -0.80 -4.38 114.28 119.62 1t44 n THR 304 Ca 0.06 -0.34 0.14 0.00 -2.27 0.00 0.00 64.05 61.65 1t44 n THR 304 Cb 0.27 0.22 0.66 0.00 -2.10 0.00 0.00 70.33 69.37 1t44 n THR 304 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1t44 n MET 305 N 0.24 0.47 -1.71 -0.78 2.81 -0.77 -4.89 117.12 112.48 1t44 n MET 305 Ca 0.12 -0.09 -0.43 0.00 -1.81 0.00 0.00 57.70 55.50 1t44 n MET 305 Cb 0.26 -1.50 -0.03 0.00 -0.71 0.00 0.00 33.22 31.24 1t44 n MET 305 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 1t44 n TYR 306 N -1.18 2.70 -1.67 2.03 4.01 -1.26 -4.93 117.16 116.86 1t44 n TYR 306 Ca 0.13 0.07 -0.44 0.00 -0.16 0.00 0.00 57.90 57.50 1t44 n TYR 306 Cb 0.27 -2.66 -0.02 0.00 -0.31 0.00 0.00 39.34 36.63 1t44 n TYR 306 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1t44 n PRO 307 N 3.85 1.95 0.00 -0.72 -0.02 -1.26 -2.31 135.00 136.50 1t44 n PRO 307 Ca 0.16 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 1t44 n PRO 307 Cb 0.34 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 1t44 n PRO 307 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1t44 n GLY 308 N 1.42 2.10 0.27 -1.23 0.00 -1.26 -0.64 105.19 105.84 1t44 n GLY 308 Ca 0.08 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.06 1t44 n GLY 308 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1t44 h ILE 309 N 0.00 1.25 -0.22 -0.61 2.10 -1.70 -1.45 117.51 116.88 1t44 h ILE 309 Ca 0.00 -1.10 -0.04 0.00 1.08 0.00 0.00 64.86 64.80 1t44 h ILE 309 Cb 0.00 1.08 -0.01 0.00 -1.09 0.00 0.00 36.82 36.80 1t44 h ILE 309 CO 0.00 0.37 -0.01 0.00 -1.08 0.00 0.00 178.15 177.43 1t44 h ALA 310 N 1.27 0.29 -0.42 0.18 0.00 -1.91 -0.47 119.26 118.21 1t44 h ALA 310 Ca 0.11 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1t44 h ALA 310 Cb 0.54 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1t44 h ALA 310 CO 0.03 0.03 0.02 -0.44 0.00 0.00 0.00 179.25 178.90 1t44 h ASP 311 N 0.15 0.63 -0.19 0.00 3.45 -1.95 -0.67 116.42 117.83 1t44 h ASP 311 Ca 0.06 -0.13 -0.05 0.00 0.43 0.00 0.00 57.03 57.34 1t44 h ASP 311 Cb 0.43 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 39.03 1t44 h ASP 311 CO 0.01 0.69 -0.07 -0.09 -1.57 0.00 0.00 179.24 178.21 1t44 h ARG 312 N 0.63 0.39 -0.71 3.56 9.65 -1.06 -2.30 114.38 124.54 1t44 h ARG 312 Ca 0.13 -0.16 0.01 0.00 -1.10 0.00 0.00 59.98 58.86 1t44 h ARG 312 Cb 0.37 -0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 28.89 1t44 h ARG 312 CO 0.01 0.66 0.47 0.52 2.80 0.00 0.00 179.97 184.43 1t44 h MET 313 N 0.09 0.93 -0.40 0.20 2.86 -0.82 -0.88 114.93 116.90 1t44 h MET 313 Ca 0.05 -0.06 0.05 0.00 -2.06 0.00 0.00 59.70 57.68 1t44 h MET 313 Cb 0.54 -0.21 -0.04 0.00 0.06 0.00 0.00 31.60 31.94 1t44 h MET 313 CO 0.02 0.61 0.15 0.37 1.06 0.00 0.00 176.91 179.12 1t44 h GLN 314 N 0.95 0.30 -0.22 1.72 5.75 -1.07 -0.23 115.11 122.32 1t44 h GLN 314 Ca 0.26 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.73 1t44 h GLN 314 Cb -0.10 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.37 1t44 h GLN 314 CO -0.06 0.20 0.09 -0.22 -2.65 0.00 0.00 178.83 176.18 1t44 h LYS 315 N 0.31 0.33 -0.30 1.69 3.64 -0.97 -2.04 116.57 119.23 1t44 h LYS 315 Ca 0.19 -0.06 -0.13 0.00 -1.27 0.00 0.00 60.65 59.38 1t44 h LYS 315 Cb 0.16 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1t44 h LYS 315 CO -0.18 0.39 -0.31 0.93 -2.27 0.00 0.00 179.45 178.00 1t44 h GLU 316 N 0.20 0.74 -0.50 1.90 4.39 -0.86 -2.15 114.58 118.31 1t44 h GLU 316 Ca 0.07 -0.40 -0.11 0.00 0.34 0.00 0.00 59.36 59.27 1t44 h GLU 316 Cb 0.18 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.83 1t44 h GLU 316 CO -0.01 1.02 -0.13 0.82 -1.16 0.00 0.00 179.01 179.55 1t44 h ILE 317 N 0.50 1.27 -0.91 3.13 2.04 -1.08 -2.44 117.51 120.03 1t44 h ILE 317 Ca 0.05 -1.27 0.08 0.00 1.00 0.00 0.00 64.86 64.72 1t44 h ILE 317 Cb 0.88 1.02 -0.07 0.00 -0.74 0.00 0.00 36.82 37.92 1t44 h ILE 317 CO 0.08 0.44 0.56 0.74 0.00 0.00 0.00 178.15 179.97 1t44 h THR 318 N 0.84 1.01 -0.09 -0.27 2.02 -1.28 -1.12 112.91 114.02 1t44 h THR 318 Ca 0.13 -0.34 -0.06 0.00 0.77 0.00 0.00 66.41 66.91 1t44 h THR 318 Cb 0.68 -0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 1t44 h THR 318 CO 0.05 0.18 -0.22 0.00 0.37 0.00 0.00 175.52 175.90 1t44 h ALA 319 N 1.45 1.46 0.00 6.16 0.00 -0.94 -3.20 119.26 124.19 1t44 h ALA 319 Ca 0.41 -0.25 -0.25 0.00 0.00 0.00 0.00 54.91 54.82 1t44 h ALA 319 Cb 0.26 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1t44 h ALA 319 CO -0.20 0.39 -1.41 -0.07 0.00 0.00 0.00 179.25 177.96 1t44 h LEU 320 N 0.14 0.00-10.34 0.00 3.38 -0.94 -3.48 115.31 104.07 1t44 h LEU 320 Ca 0.03 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.50 1t44 h LEU 320 Cb 0.48 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.28 1t44 h LEU 320 CO 0.03 0.93 0.24 0.00 0.09 0.00 0.00 178.44 179.74 1t44 s ALA 321 N -2.68 3.26 0.57 1.53 0.00 -0.49 -5.03 121.76 118.91 1t44 s ALA 321 Ca -0.02 -0.37 -0.21 0.00 0.00 0.00 0.00 51.96 51.36 1t44 s ALA 321 Cb 0.09 -2.79 -0.04 0.00 0.00 0.00 0.00 23.12 20.37 1t44 s ALA 321 CO 0.82 -0.56 1.25 -2.30 0.00 0.00 0.00 175.76 174.97 1t44 n PRO 322 N -2.51 1.41 0.00 0.00 -0.02 -1.26 -4.87 135.00 127.74 1t44 n PRO 322 Ca 0.03 0.53 0.12 0.00 -2.02 0.00 0.00 63.50 62.16 1t44 n PRO 322 Cb 0.55 -2.45 0.55 0.00 -0.02 0.00 0.00 33.50 32.13 1t44 n PRO 322 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1t44 n SER 323 N -1.03 0.00 -0.84 2.55 3.41 -1.26 -1.72 113.62 114.73 1t44 n SER 323 Ca 0.12 0.29 0.12 0.00 -0.26 0.00 0.00 58.87 59.15 1t44 n SER 323 Cb 0.45 -0.42 0.17 0.00 -0.26 0.00 0.00 64.21 64.15 1t44 n SER 323 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1t44 n THR 324 N -1.42 0.00 -2.34 6.66 -2.24 -1.26 -4.97 114.28 108.72 1t44 n THR 324 Ca 0.08 -0.44 -0.41 0.00 -2.27 0.00 0.00 64.05 61.02 1t44 n THR 324 Cb 0.25 1.29 -0.03 0.00 -2.10 0.00 0.00 70.33 69.74 1t44 n THR 324 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 1t44 s MET 325 N -2.04 4.50 -0.28 -0.78 0.00 -0.70 -4.99 119.30 115.01 1t44 s MET 325 Ca 0.29 1.94 -0.24 0.00 0.00 0.00 0.00 55.69 57.68 1t44 s MET 325 Cb 0.20 -3.19 -0.00 0.00 0.00 0.00 0.00 34.83 31.84 1t44 s MET 325 CO 0.33 -0.04 0.81 0.21 0.00 0.00 0.00 175.02 176.33 1t44 s LYS 326 N -0.87 4.05 -0.13 4.11 2.47 -1.26 -5.02 119.74 123.09 1t44 s LYS 326 Ca 0.50 0.74 -0.01 0.00 -1.56 0.00 0.00 55.97 55.64 1t44 s LYS 326 Cb -0.34 -3.70 -0.02 0.00 -1.46 0.00 0.00 37.83 32.31 1t44 s LYS 326 CO 0.41 -0.62 -0.11 0.42 0.16 0.00 0.00 175.35 175.61 1t44 s ILE 327 N 2.93 3.23 -0.03 5.43 1.01 -1.26 -3.16 121.20 129.36 1t44 s ILE 327 Ca 0.34 -0.60 -0.00 0.00 0.00 0.00 0.00 60.65 60.38 1t44 s ILE 327 Cb -0.14 -2.36 0.03 0.00 0.01 0.00 0.00 42.46 39.99 1t44 s ILE 327 CO 0.11 0.53 0.03 -0.75 0.00 0.00 0.00 174.94 174.85 1t44 s LYS 328 N 0.24 0.05 -0.20 2.79 2.20 -0.79 -4.94 119.74 119.09 1t44 s LYS 328 Ca -0.08 0.19 -0.08 0.00 -0.36 0.00 0.00 55.97 55.65 1t44 s LYS 328 Cb -0.15 -0.37 -0.04 0.00 -1.51 0.00 0.00 37.83 35.76 1t44 s LYS 328 CO 0.05 -0.19 0.08 0.42 -0.36 0.00 0.00 175.35 175.34 1t44 s ILE 329 N 1.29 4.84 -0.23 5.43 -1.09 -1.26 -2.22 121.20 127.95 1t44 s ILE 329 Ca -0.06 -0.01 -0.04 0.00 -2.23 0.00 0.00 60.65 58.31 1t44 s ILE 329 Cb -0.13 -3.20 0.00 0.00 -1.58 0.00 0.00 42.46 37.55 1t44 s ILE 329 CO -0.03 0.43 -0.04 -0.63 -1.23 0.00 0.00 174.94 173.44 1t44 s ILE 330 N 0.62 3.30 -0.53 2.92 1.09 0.25 -4.99 121.20 123.85 1t44 s ILE 330 Ca 0.04 -0.65 0.04 0.00 -1.10 0.00 0.00 60.65 58.98 1t44 s ILE 330 Cb -0.13 -2.56 0.17 0.00 -1.06 0.00 0.00 42.46 38.88 1t44 s ILE 330 CO 0.01 0.33 0.39 0.00 -0.10 0.00 0.00 174.94 175.58 1t44 s ALA 331 N 1.44 2.41 0.45 9.38 0.00 -1.26 -0.93 121.76 133.26 1t44 s ALA 331 Ca 0.04 -3.01 -0.25 0.00 0.00 0.00 0.00 51.96 48.74 1t44 s ALA 331 Cb -0.15 -1.84 -0.08 0.00 0.00 0.00 0.00 23.12 21.05 1t44 s ALA 331 CO -0.03 -2.03 1.39 -2.14 0.00 0.00 0.00 175.76 172.95 1t44 s PRO 332 N -0.51 3.67 0.47 0.00 0.02 -1.26 -4.90 135.00 132.48 1t44 s PRO 332 Ca 0.28 2.33 0.17 0.00 0.02 0.00 0.00 61.00 63.80 1t44 s PRO 332 Cb -0.02 -2.62 1.15 0.00 0.02 0.00 0.00 34.50 33.03 1t44 s PRO 332 CO -0.17 -0.80 2.01 -1.35 -0.33 0.00 0.00 177.00 176.36 1t44 h PRO 333 N 2.27 0.25 -0.64 5.54 0.11 -1.99 -2.54 132.00 135.00 1t44 h PRO 333 Ca -0.51 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1t44 h PRO 333 Cb 1.27 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1t44 h PRO 333 CO 0.61 0.17 0.00 -0.85 -0.21 0.00 0.00 178.00 177.71 1t44 n GLU 334 N -4.46 1.91 0.13 1.05 0.00 -1.26 -4.62 120.64 113.39 1t44 n GLU 334 Ca 0.08 -0.87 0.12 0.00 0.00 0.00 0.00 57.16 56.48 1t44 n GLU 334 Cb 0.38 -1.52 0.51 0.00 0.00 0.00 0.00 31.44 30.80 1t44 n GLU 334 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.13 180.02 1t44 n ARG 335 N 0.16 0.18 0.22 3.44 1.85 -0.96 -0.80 116.66 120.76 1t44 n ARG 335 Ca 0.08 0.46 0.13 0.00 -1.00 0.00 0.00 57.85 57.52 1t44 n ARG 335 Cb 0.40 -1.88 0.73 0.00 -1.05 0.00 0.00 32.46 30.66 1t44 n ARG 335 CO 0.00 0.00 0.00 0.87 -0.01 0.00 0.00 177.63 178.49 1t44 h LYS 336 N 0.00 0.00 -0.12 2.89 1.57 -1.82 -1.14 116.57 117.95 1t44 h LYS 336 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1t44 h LYS 336 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 1t44 h LYS 336 CO 0.00 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.54 1t44 n TYR 337 N -4.26 0.20 -0.35 -1.35 4.01 0.02 -4.74 117.16 110.68 1t44 n TYR 337 Ca -0.01 -0.57 -0.00 0.00 -0.16 0.00 0.00 57.90 57.16 1t44 n TYR 337 Cb 0.19 -0.07 0.13 0.00 -0.31 0.00 0.00 39.34 39.29 1t44 n TYR 337 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 1t44 h SER 338 N 0.74 1.03 0.01 7.72 0.02 -1.47 -0.27 113.55 121.34 1t44 h SER 338 Ca 0.00 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1t44 h SER 338 Cb 0.68 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.98 1t44 h SER 338 CO 0.01 0.70 -0.01 0.58 -1.14 0.00 0.00 176.83 176.97 1t44 h VAL 339 N 1.19 0.97 -0.52 2.27 2.07 -1.85 -1.19 116.25 119.18 1t44 h VAL 339 Ca 0.38 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.91 1t44 h VAL 339 Cb 0.01 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 1t44 h VAL 339 CO -0.13 0.00 0.34 -0.25 0.02 0.00 0.00 177.57 177.56 1t44 h TRP 340 N -0.03 0.64 -0.67 1.57 7.01 -1.74 -2.29 115.95 120.44 1t44 h TRP 340 Ca 0.00 0.02 -0.06 0.00 2.11 0.00 0.00 58.89 60.96 1t44 h TRP 340 Cb 0.03 -0.22 -0.03 0.00 -2.10 0.00 0.00 29.16 26.84 1t44 h TRP 340 CO -0.08 0.40 0.19 0.82 -2.79 0.00 0.00 178.44 176.97 1t44 h ILE 341 N 0.69 1.25 -0.85 2.65 2.04 -0.85 -1.03 117.51 121.41 1t44 h ILE 341 Ca 0.20 -0.90 0.01 0.00 1.00 0.00 0.00 64.86 65.16 1t44 h ILE 341 Cb -0.06 0.53 -0.04 0.00 -0.74 0.00 0.00 36.82 36.51 1t44 h ILE 341 CO -0.05 0.35 0.55 1.23 0.00 0.00 0.00 178.15 180.23 1t44 h GLY 342 N 1.07 1.21 1.17 5.37 0.00 -0.93 -1.64 103.07 109.32 1t44 h GLY 342 Ca 0.22 -0.47 -0.07 0.00 0.00 0.00 0.00 47.33 47.01 1t44 h GLY 342 CO -0.00 0.45 0.11 -1.33 0.00 0.00 0.00 176.54 175.77 1t44 h GLY 343 N 1.16 1.09 1.00 4.60 0.00 -0.84 -1.54 103.07 108.55 1t44 h GLY 343 Ca 0.31 -0.70 -0.00 0.00 0.00 0.00 0.00 47.33 46.94 1t44 h GLY 343 CO -0.07 0.65 0.43 0.23 0.00 0.00 0.00 176.54 177.78 1t44 h SER 344 N 0.96 0.86 0.22 0.19 0.87 -0.70 -0.81 113.55 115.14 1t44 h SER 344 Ca 0.19 -0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.68 1t44 h SER 344 Cb 0.40 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 1t44 h SER 344 CO 0.01 0.67 -0.11 0.40 -0.53 0.00 0.00 176.83 177.27 1t44 h ILE 345 N 0.97 0.84 -0.40 2.23 2.04 -1.23 -2.80 117.51 119.17 1t44 h ILE 345 Ca 0.25 -0.68 0.08 0.00 1.00 0.00 0.00 64.86 65.51 1t44 h ILE 345 Cb -0.03 1.22 -0.07 0.00 -0.74 0.00 0.00 36.82 37.20 1t44 h ILE 345 CO -0.05 0.14 -0.08 0.25 0.00 0.00 0.00 178.15 178.42 1t44 h LEU 346 N -0.66 -0.33 -1.96 1.44 5.85 -1.21 -1.68 115.31 116.76 1t44 h LEU 346 Ca -0.03 0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 1t44 h LEU 346 Cb 0.47 0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.73 1t44 h LEU 346 CO 0.05 -0.12 -0.07 0.00 -0.34 0.00 0.00 178.44 177.97 1t44 h ALA 347 N 1.39 1.12 0.00 1.25 0.00 -1.20 -2.82 119.26 119.00 1t44 h ALA 347 Ca 0.19 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1t44 h ALA 347 Cb 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1t44 h ALA 347 CO -0.40 0.08 -0.53 0.43 0.00 0.00 0.00 179.25 178.84 1t44 n SER 348 N -3.34 0.56 -4.76 0.00 7.64 -0.65 -4.93 113.62 108.14 1t44 n SER 348 Ca -0.01 -0.02 -0.41 0.00 1.01 0.00 0.00 58.87 59.44 1t44 n SER 348 Cb 0.24 0.16 -0.03 0.00 -1.01 0.00 0.00 64.21 63.57 1t44 n SER 348 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1t44 s LEU 349 N -3.58 4.47 0.51 -3.43 1.43 -1.07 -4.90 118.68 112.11 1t44 s LEU 349 Ca 0.09 2.47 0.22 0.00 -1.03 0.00 0.00 54.13 55.88 1t44 s LEU 349 Cb 0.16 -3.63 1.32 0.00 0.03 0.00 0.00 46.19 44.06 1t44 s LEU 349 CO 0.70 -0.39 2.01 0.77 0.23 0.00 0.00 176.35 179.67 1t44 h SER 350 N 3.98 0.06 1.06 2.29 4.64 -1.92 -1.10 113.55 122.56 1t44 h SER 350 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1t44 h SER 350 Cb 1.22 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1t44 h SER 350 CO 0.68 0.04 0.00 0.35 -0.87 0.00 0.00 176.83 177.03 1t44 n THR 351 N -4.41 0.48 0.64 2.95 -2.24 -1.26 -3.59 114.28 106.85 1t44 n THR 351 Ca 0.08 -0.03 0.13 0.00 -2.27 0.00 0.00 64.05 61.96 1t44 n THR 351 Cb 0.51 -0.70 0.33 0.00 -2.10 0.00 0.00 70.33 68.37 1t44 n THR 351 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1t44 n PHE 352 N -1.89 0.71 -0.34 4.78 7.35 -0.41 -4.20 117.46 123.45 1t44 n PHE 352 Ca 0.05 0.21 0.09 0.00 -0.76 0.00 0.00 57.45 57.04 1t44 n PHE 352 Cb 0.33 -0.79 0.27 0.00 0.35 0.00 0.00 39.48 39.64 1t44 n PHE 352 CO 0.00 0.00 0.00 1.96 -0.76 0.00 0.00 176.76 177.96 1t44 h GLN 353 N 0.00 0.81 -0.02 -4.13 7.50 -1.70 -1.32 115.11 116.25 1t44 h GLN 353 Ca 0.00 -0.05 0.00 0.00 0.50 0.00 0.00 58.65 59.10 1t44 h GLN 353 Cb 0.72 -0.18 0.00 0.00 0.05 0.00 0.00 27.48 28.07 1t44 h GLN 353 CO 0.00 0.53 -0.01 0.00 -1.50 0.00 0.00 178.83 177.86 1t44 n GLN 354 N -4.73 1.68 0.08 1.46 0.00 -1.26 -4.10 117.38 110.52 1t44 n GLN 354 Ca 0.20 -1.01 0.12 0.00 0.00 0.00 0.00 57.00 56.31 1t44 n GLN 354 Cb 0.45 -1.48 0.04 0.00 0.00 0.00 0.00 30.24 29.25 1t44 n GLN 354 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.06 175.73 1t44 n MET 355 N 0.22 0.49 -1.85 2.61 2.81 -0.50 -4.91 117.12 115.99 1t44 n MET 355 Ca 0.19 0.09 -0.38 0.00 -1.81 0.00 0.00 57.70 55.79 1t44 n MET 355 Cb 0.37 -1.76 0.04 0.00 -0.71 0.00 0.00 33.22 31.16 1t44 n MET 355 CO 0.00 0.00 0.00 -1.58 1.51 0.00 0.00 175.97 175.90 1t44 s TRP 356 N -3.30 2.34 -0.19 2.03 0.52 -1.23 -4.93 118.94 114.17 1t44 s TRP 356 Ca 0.01 1.42 -0.29 0.00 0.02 0.00 0.00 56.10 57.26 1t44 s TRP 356 Cb 0.11 -3.71 -0.01 0.00 -1.15 0.00 0.00 33.47 28.71 1t44 s TRP 356 CO 0.78 -2.69 1.23 0.42 0.02 0.00 0.00 176.95 176.71 1t44 s ILE 357 N -1.36 4.34 0.49 2.03 1.01 0.06 -4.90 121.20 122.86 1t44 s ILE 357 Ca 0.72 1.60 -0.04 0.00 0.00 0.00 0.00 60.65 62.93 1t44 s ILE 357 Cb -0.38 -4.07 -0.03 0.00 0.01 0.00 0.00 42.46 38.00 1t44 s ILE 357 CO 0.44 -0.18 0.78 0.42 0.00 0.00 0.00 174.94 176.40 1t44 s THR 358 N 3.54 4.63 0.27 2.92 -4.23 -1.26 -0.85 115.64 120.66 1t44 s THR 358 Ca 0.53 0.05 -0.03 0.00 -1.18 0.00 0.00 61.69 61.06 1t44 s THR 358 Cb -0.20 -3.76 0.27 0.00 1.34 0.00 0.00 72.50 70.15 1t44 s THR 358 CO 0.14 -0.72 1.92 0.50 -0.54 0.00 0.00 174.62 175.92 1t44 h LYS 359 N 0.21 1.18 -0.23 3.99 1.63 -1.56 -1.21 116.57 120.58 1t44 h LYS 359 Ca -0.47 -0.07 -0.01 0.00 -0.85 0.00 0.00 60.65 59.25 1t44 h LYS 359 Cb 1.22 -0.27 -0.01 0.00 -0.60 0.00 0.00 32.23 32.57 1t44 h LYS 359 CO 0.61 0.78 0.10 0.37 -3.45 0.00 0.00 179.45 177.87 1t44 h GLN 360 N 1.22 0.33 -0.95 1.90 4.15 -1.94 -0.13 115.11 119.69 1t44 h GLN 360 Ca 0.39 -0.05 0.05 0.00 0.77 0.00 0.00 58.65 59.81 1t44 h GLN 360 Cb 0.02 -0.06 -0.06 0.00 0.21 0.00 0.00 27.48 27.59 1t44 h GLN 360 CO -0.12 0.35 0.61 0.93 -1.93 0.00 0.00 178.83 178.67 1t44 h GLU 361 N 0.23 1.10 -0.44 1.69 5.08 -1.87 -2.08 114.58 118.30 1t44 h GLU 361 Ca 0.08 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 1t44 h GLU 361 Cb 0.13 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 1t44 h GLU 361 CO -0.01 0.73 0.06 -0.92 -1.00 0.00 0.00 179.01 177.87 1t44 h TYR 362 N 1.14 0.79 -0.29 4.33 3.20 -0.91 -1.44 116.97 123.80 1t44 h TYR 362 Ca 0.40 -0.12 -0.01 0.00 3.14 0.00 0.00 58.73 62.14 1t44 h TYR 362 Cb 0.11 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.15 1t44 h TYR 362 CO -0.01 0.76 0.12 -0.44 -1.64 0.00 0.00 178.16 176.95 1t44 h ASP 363 N 0.59 0.35 0.37 -2.11 3.45 -0.59 0.16 116.42 118.64 1t44 h ASP 363 Ca 0.13 -0.03 -0.32 0.00 0.43 0.00 0.00 57.03 57.25 1t44 h ASP 363 Cb 0.40 -0.09 -0.01 0.00 -0.56 0.00 0.00 39.33 39.08 1t44 h ASP 363 CO 0.01 0.31 -1.62 -0.33 -1.57 0.00 0.00 179.24 176.04 1t44 h GLU 364 N 0.40 0.27 0.00 3.56 5.08 -1.22 -3.41 114.58 119.25 1t44 h GLU 364 Ca 0.10 -0.46 -0.18 0.00 -1.00 0.00 0.00 59.36 57.83 1t44 h GLU 364 Cb 0.07 0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.45 1t44 h GLU 364 CO -0.01 1.13 -1.86 0.00 -1.00 0.00 0.00 179.01 177.26 1t44 n ALA 365 N -2.73 1.93 0.00 3.43 0.00 -0.56 -5.11 120.51 117.47 1t44 n ALA 365 Ca -0.19 -0.74 0.00 0.00 0.00 0.00 0.00 53.44 52.50 1t44 n ALA 365 Cb 1.05 -0.18 0.00 0.00 0.00 0.00 0.00 19.45 20.32 1t44 n ALA 365 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t44 n GLY 366 N 2.00 -1.19 0.32 0.00 0.00 0.54 -4.51 105.19 102.36 1t44 n GLY 366 Ca -0.16 -1.58 0.15 0.00 0.00 0.00 0.00 46.02 44.42 1t44 n GLY 366 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1t44 h PRO 367 N 0.00 0.00 0.00 1.61 0.11 -1.89 -2.26 132.00 129.57 1t44 h PRO 367 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1t44 h PRO 367 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1t44 h PRO 367 CO 0.00 0.00 0.06 -1.13 -0.21 0.00 0.00 178.00 176.72 1t44 n SER 368 N -4.28 0.35 0.15 -2.05 3.41 -1.26 -1.83 113.62 108.11 1t44 n SER 368 Ca 0.03 0.63 0.15 0.00 -0.26 0.00 0.00 58.87 59.42 1t44 n SER 368 Cb 0.33 -0.66 0.71 0.00 -0.26 0.00 0.00 64.21 64.33 1t44 n SER 368 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 1t44 h ILE 369 N 0.00 0.76 -0.33 -1.33 6.09 -1.65 -2.69 117.51 118.35 1t44 h ILE 369 Ca 0.00 0.00 0.04 0.00 -1.37 0.00 0.00 64.86 63.53 1t44 h ILE 369 Cb 0.13 0.86 -0.02 0.00 0.47 0.00 0.00 36.82 38.26 1t44 h ILE 369 CO 0.00 0.00 0.22 1.62 -3.07 0.00 0.00 178.15 176.92 1t44 h VAL 370 N 0.00 0.98 0.00 2.19 3.04 -1.63 -1.70 116.25 119.13 1t44 h VAL 370 Ca 0.12 -0.09 0.00 0.00 -1.01 0.00 0.00 66.70 65.72 1t44 h VAL 370 Cb 0.52 0.69 0.00 0.00 -2.01 0.00 0.00 31.29 30.49 1t44 h VAL 370 CO -0.00 0.05 0.00 0.45 -1.01 0.00 0.00 177.57 177.06 1t44 h HIS 371 N 0.26 0.00 0.00 3.17 3.86 -1.72 -1.73 115.15 119.00 1t44 h HIS 371 Ca 0.14 0.00 -0.34 0.00 -1.16 0.00 0.00 60.37 59.01 1t44 h HIS 371 Cb 0.22 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.63 1t44 h HIS 371 CO -0.00 0.00 -2.27 0.54 0.86 0.00 0.00 177.93 177.06 1t44 n ARG 372 N -2.32 0.90 0.02 2.45 1.74 -0.71 -4.60 116.66 114.14 1t44 n ARG 372 Ca 0.04 0.03 0.01 0.00 -0.77 0.00 0.00 57.85 57.16 1t44 n ARG 372 Cb 0.35 -1.47 -0.09 0.00 -1.02 0.00 0.00 32.46 30.23 1t44 n ARG 372 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1t44 n LYS 373 N -2.82 0.63 -3.94 5.56 4.76 -0.79 -4.83 118.16 116.73 1t44 n LYS 373 Ca -0.33 0.15 -0.31 0.00 -2.87 0.00 0.00 58.31 54.96 1t44 n LYS 373 Cb 1.05 -1.76 -0.15 0.00 -1.84 0.00 0.00 35.03 32.33 1t44 n LYS 373 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03